A0A3Q0KUK8_SCHMA Loading...

SCAPER_N domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KUK8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,008 aa.

>A0A3Q0KUK8_SCHMA|A0A3Q0KUK8
MSEGRCLGSVSQKTKCWNVSSWIKNKIEDEGVQARNIIKYSVPIDNPSSPRRYVAKCDFTLPSSGLEQDITSSGKNKIKIANGDSAIKNSLYSEVKSCDNSHESNSLSTNNSRKERTASNTRSGSLISTNSRTVCSQLHRHFDSVSTVPYRRINRGRPLTESEYKARYWGQMLDTLRRTIDEIYSACETDENEVECKEVIMILEHSKQDFFSLIEKMNLLRDYEQADAHNRPNSLAWDERTILPGKPIMCQVLASTGVVTSAQQSYLSTPLSMKSDSSVIEVADSDSDIGCSKSGNRNHSLNKLELNMAINDNKHHHHHESCTIPSTNSMMVPNMCNLDNEPSDANDEDDDEVEIDVDDESVEHHPHCHHKRQQMSNFTYLVDDDADYVDREEEEGEDNTLSHDLAKLDKAIANVTTAEIVLTHQLDKAQLAEASLRRRLIKEEKAAFIRSTGGYNKFWYNSRLKNPMHTNCQNSEEIDVCGTATTTTTTTTDEVEIDTDVDLLDMDSIILDDIDSCEKLIPDRRKITKSNNNQRMKVIHSPLNSIHCFSEYPLNVNSNRIGSNRKVIDNSSVEHCHCCSCRCHRHNYTFNQSSSSTNFQCYEIDNQSKYLDRAQNTHPQSSDSVLLDKTGNNCQTKYPLETNVNQYYDQKQSEQRTSEEGTFKHSDNFVDSLSTRPMEIKHNDDISEVPLQMNQIQSNLLSSKNTVLLEKSPKHLDSNETMSLSNSAATTQDVNICPQGLLFIPKTEVKSRIPGHGVHMHEKLSARSKKRSANSIQEIEEKQARARVLRQQHLLERTERVHELSKKVDEVHLQKRILLHQRRSCLERRLHAAERKRQAELTRRVLKAHDEETKGKEIAFIQTLEAEQKQHSILTKHEESRARLNELAIERQRRTEEKLCREEAAKIRRRALEASRLARLDALQARWKIRAQQLASRAKLLEHSRRAAARAKKQSREIKMATLEEQQRTHIEQLRSKIQRKQEESERRHQESLREISRKAFEMSILTHTGDDSLTVPGIEPYPVQKWCKACQVMIISEVQLKSHLHGKRHQNAIMEAAQNRPVGRSELEAFNLSHLVDAPNELPHSQHDTQQERLKLRRKRARKLRQRMNQRGLQFLKEFESNKTPIPDSPNKLHLLKLIKNARRFLNLPDTGPWVITRVQAMEKCLNGLLRCISNDQSKTHPILSDNENQSQSVNLSDQQVCLANGLLSILVNLIGLIREQKPSSKQLVPEKTYRIACCLLQTICTSNIAASIHMLLSNNVSILVDCLVIQFTLSIPNNRHTIHCNPCSPITDQKSSSTFIEQCSQDSSVSNYSCTLDLLNCLTNLLNGFYKLNYYSTEFNTTTNNHNISSRSSSSISGGINGFTATTTTTPSSSTTSLTSVITTKTLFDDDDYHEQQQHVRIDSQRLQDLLSYIVSSGLVDLISIRLSNPKQANWLSSVNNNTDIGHSNSISKQSTEYCQQFVLSSIAFLTSLTRLLGILSMKQMNDDSLNVEHRHQQTSNSIGTTSSCSSISKSFIIVDSIGEDQVTEIDEENDSKSCVNVLTVKRQNINSSHDPTTITNTSVKVNSSDKLNSKKTFKDPTQLLETISSTEVFGLVPLLYCLLLDPKNSRSVDTTTTIGVNVNNDSHMTTTNCTIPTSECSDNRDHRRKLTQTKKSSIHSKSSSVVCNSNCHDSLPFSSEIIAEITLNTLKLINSLASVHQNTMQTILGGELICLLMRHILINLLTRCVPQSQTCSLQQINSDKTPIHHPSTPRQHQQQYEVGLKLNNNMNDGRCNRQYQFNNDHGVDDDDDDSTDLLLLPSGARKIIVKSKHSQPLESIKNNEHSQIGKPKNSSSTNISSKSMTKLTSFYGNNTQAIDSKFSKHHIYEITNNILHEVILCIGYLCVLNSDNQTSLQCGPSPNLLQRLLSLPFEYFSYCPLQNILYPTLIACCYEHTLNTSVLETELSPSILANYIEERILERKVNSFRKIEKKCNNNEFLDERFNFEQRFNISEWDSAKAYFSR
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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
1M23.9Very low29.4Very low224 Ų224134.8 Ų134.8100%1.10380%0.802SS**  0178.50-75.9170.454.300108.3
2S26.7Very low29.9Very low95 Ų95138.4 Ų138.466%0.66481%0.805SS**  trans54.1147.9147.135.90000120.3
3E32.5Very low29.7Very low145 Ų145143.5 Ų143.568%0.67881%0.811SS**  cis-151.4-180-17-120168-112.500107R5E3-R5 IonicContact OE2-CZ 2.64Å; E3-R5 IonicContact OE2-NH2 3.2Å; E3-R5 PolarHBondContact OE2-NH2 2.95Å
4G32.2Very low30Very low60 Ų60143.1 Ų143.162%0.61981%0.814SS**  66.1132.555.900000111.3
5R29.2Very low30.2Very low212 Ų212146 Ų14680%0.881%0.814SS**  cis-161.3164.6-0.7-127.5168.6-65.7-152.40.1109.8E3E3-R5 IonicContact OE2-CZ 2.64Å; E3-R5 IonicContact OE2-NH2 3.2Å; E3-R5 PolarHBondContact OE2-NH2 2.95Å
6C29.8Very low30.2Very low126 Ų126145.1 Ų145.185%0.85182%0.819SS**  trans-69139.4-179.1-39.50000113.3
7L32.7Very low30.5Very low181 Ų181150.1 Ų150.195%0.94882%0.821SS**  trans-165.8148.8150.7-92.2179000106.8
8G29.1Very low31Very low64 Ų64148.1 Ų148.166%0.6681%0.81SS**  cis-171.9145.7-7.900000108.9
9S26.9Very low31.4Very low127 Ų127145.1 Ų145.189%0.88880%0.796SS**  trans-75.8135.3-16957.60000114.5
10V33.2Very low32Very low135 Ų135141.8 Ų141.882%0.81878%0.784SS**  trans-116.5132.4163.9178.30000109.5
11S27.4Very low32.5Very low114 Ų114138.3 Ų138.380%0.79777%0.77SS**  trans-117.6118.6-178.7178.90000110.6
12Q34.6Very low33.7Very low178 Ų178136 Ų13683%0.83275%0.749SS**  trans-138141.5166.6-70.9-160.62.700111.5
13K28.2Very low34.6Very low204 Ų204135.3 Ų135.389%0.88774%0.737SS**  trans-89.8109.2-175.7-62.7169.9-179.81730110.5
14T33.7Very low35.7Very low138 Ų138133.9 Ų133.985%0.84773%0.728SS**  trans-98.7149.3162.645.50000110.8
15K32.9Very low37.1Very low187 Ų187135.1 Ų135.181%0.81372%0.721SS**  trans-86.7133.8-164.3-61.8167.4-176.2171.40110.4W17K15-W17 PolarHBondContact O-N 2.72Å
16C30.4Very low38.3Very low132 Ų132129.6 Ų129.689%0.89270%0.702SS**  trans-61.9101.1167-72.70000109.9
17W34.7Very low39.5Very low229 Ų229129 Ų12987%0.86769%0.69SS**  trans-70.8133.3158.7-82.363000107.8K15 V19K15-W17 PolarHBondContact O-N 2.72Å; W17-V19 PolarHBondContact O-N 2.74Å
18N39Very low40.7Very low114 Ų114125.2 Ų125.261%0.6167%0.667SS**  trans-77.191.6-163.7-168.1-8000110.9S20 S21N18-S20 PolarHBondContact O-N 2.65Å; N18-S20 VanDerWaalsContact OD1-CB 3.25Å; N18-S20 WeakPolarHBondContact OD1-CB 3.17Å; N18-S20 PolarHBondContact OD1-N 3.5Å; N18-S20 PolarHBondContact OD1-OG 2.74Å; N18-S21 WeakPolarHBondContact O-CB 3.49Å; N18-S21 PolarHBondContact O-N 2.76Å
19V40.2Very low41.9Very low91 Ų91127.4 Ų127.455%0.55266%0.664SS**Hα-helixtrans-52.1-30.7-178.9179.40000112W17 S21 W22 I23W17-V19 PolarHBondContact O-N 2.74Å; V19-S21 PolarHBondContact O-N 2.82Å; V19-S21 VanDerWaalsContact O-N 3.14Å; V19-W22 PolarHBondContact O-N 3.13Å; V19-I23 HydrophobicContact CG1-CD1 3.74Å; V19-I23 HydrophobicContact CG1-CG1 3.98Å; V19-I23 PolarHBondContact O-N 3.46Å
20S41.9Very low42.9Very low80 Ų80126.9 Ų126.956%0.55965%0.647SS**Hα-helixtrans-54.9-30.4173.5-39.10000113.3N18 K24N18-S20 PolarHBondContact O-N 2.65Å; N18-S20 VanDerWaalsContact OD1-CB 3.25Å; N18-S20 WeakPolarHBondContact OD1-CB 3.17Å; N18-S20 PolarHBondContact OD1-N 3.5Å; N18-S20 PolarHBondContact OD1-OG 2.74Å; S20-K24 WeakPolarHBondContact O-CB 3.22Å; S20-K24 PolarHBondContact O-N 2.89Å
21S44.2Very low43.4Very low68 Ų68121.6 Ų121.648%0.47662%0.621SS.*Hα-helixtrans-75.9-35.1175.7-1640000112.5N18 V19 N25N18-S21 WeakPolarHBondContact O-CB 3.49Å; N18-S21 PolarHBondContact O-N 2.76Å; V19-S21 PolarHBondContact O-N 2.82Å; V19-S21 VanDerWaalsContact O-N 3.14Å; S21-N25 WeakPolarHBondContact O-CB 3.27Å; S21-N25 PolarHBondContact O-N 3.43Å; S21-N25 PolarHBondContact O-OD1 3.02Å; S21-N25 VanDerWaalsContact O-OD1 3.06Å
22W47.9Very low44.4Very low175 Ų175119.9 Ų119.966%0.66361%0.605SS**Hα-helixtrans-73.5-44.1176.1-178.382.1000111V19 N25 K26V19-W22 PolarHBondContact O-N 3.13Å; W22-N25 PolarHBondContact O-N 2.72Å; W22-K26 HydrophobicContact CH2-CD 4.2Å; W22-K26 HydrophobicContact CZ2-CD 4.04Å; W22-K26 WeakPolarHBondContact O-CB 3.19Å; W22-K26 PolarHBondContact O-N 2.93Å
23I45.4Very low44.7Very low81 Ų81117.8 Ų117.842%0.41560%0.595SS.*Hα-helixtrans-59.8-47172.4-68.8178.1000110.2V19 K26 I27V19-I23 HydrophobicContact CG1-CD1 3.74Å; V19-I23 HydrophobicContact CG1-CG1 3.98Å; V19-I23 PolarHBondContact O-N 3.46Å; I23-K26 PolarHBondContact O-N 3.29Å; I23-I27 HydrophobicContact CG2-CD1 3.6Å; I23-I27 HydrophobicContact CG2-CG1 4.33Å; I23-I27 WeakPolarHBondContact O-CB 3.39Å; I23-I27 VanDerWaalsContact O-CG1 3.28Å; I23-I27 WeakPolarHBondContact O-CG1 3.42Å; I23-I27 PolarHBondContact O-N 3.01Å
24K56.6Low45Very low116 Ų116110.6 Ų110.650%0.50457%0.574SS.*Hα-helixtrans-62.2-49.3178.6-177.2178.4173.1-173.50111.9S20 K26 I27 E28S20-K24 WeakPolarHBondContact O-CB 3.22Å; S20-K24 PolarHBondContact O-N 2.89Å; K24-K26 VanDerWaalsContact C-N 3.31Å; K24-K26 PolarHBondContact O-N 3.04Å; K24-I27 PolarHBondContact O-N 3.3Å; K24-E28 WeakPolarHBondContact CE-OE1 3.41Å; K24-E28 HydrophobicContact CG-CG 4.39Å; K24-E28 IonicContact NZ-OE1 3.26Å; K24-E28 PolarHBondContact NZ-OE1 3.25Å; K24-E28 WeakPolarHBondContact O-CB 3.15Å; K24-E28 WeakPolarHBondContact O-CG 3.49Å; K24-E28 PolarHBondContact O-N 2.66Å
25N61.2Low45.1Very low85 Ų85113 Ų11346%0.45557%0.567SS.*Hα-helixtrans-59.8-42.6177.9-74.123.6000111.1S21 W22 E28 D29S21-N25 WeakPolarHBondContact O-CB 3.27Å; S21-N25 PolarHBondContact O-N 3.43Å; S21-N25 PolarHBondContact O-OD1 3.02Å; S21-N25 VanDerWaalsContact O-OD1 3.06Å; W22-N25 PolarHBondContact O-N 2.72Å; N25-E28 CarbonylContact O-C 3.53Å; N25-E28 PolarHBondContact O-N 2.73Å; N25-E28 VanDerWaalsContact O-N 3.15Å; N25-D29 WeakPolarHBondContact O-CB 3.08Å; N25-D29 PolarHBondContact O-N 2.77Å
26K54.4Low45.2Very low96 Ų96107.7 Ų107.742%0.41755%0.548SS..Hα-helixtrans-69.2-35.1179.8-167156.4-176.5171.90113.2W22 I23 K24 E30W22-K26 HydrophobicContact CH2-CD 4.2Å; W22-K26 HydrophobicContact CZ2-CD 4.04Å; W22-K26 WeakPolarHBondContact O-CB 3.19Å; W22-K26 PolarHBondContact O-N 2.93Å; I23-K26 PolarHBondContact O-N 3.29Å; K24-K26 VanDerWaalsContact C-N 3.31Å; K24-K26 PolarHBondContact O-N 3.04Å; K26-E30 WeakPolarHBondContact CE-OE1 2.92Å; K26-E30 HydrophobicContact CG-CG 4.48Å; K26-E30 IonicContact NZ-OE1 3.88Å; K26-E30 WeakPolarHBondContact O-CB 3.41Å; K26-E30 PolarHBondContact O-N 3.4Å
27I55.4Low45.4Very low115 Ų115107.9 Ų107.959%0.5954%0.538SS*.Hα-helixtrans-68.2-33.5169.8-70.5173.2000111.5I23 K24 G31I23-I27 HydrophobicContact CG2-CD1 3.6Å; I23-I27 HydrophobicContact CG2-CG1 4.33Å; I23-I27 WeakPolarHBondContact O-CB 3.39Å; I23-I27 VanDerWaalsContact O-CG1 3.28Å; I23-I27 WeakPolarHBondContact O-CG1 3.42Å; I23-I27 PolarHBondContact O-N 3.01Å; K24-I27 PolarHBondContact O-N 3.3Å; I27-G31 WeakPolarHBondContact O-CA 3.32Å; I27-G31 PolarHBondContact O-N 2.75Å
28E57.9Low45.4Very low101 Ų101103.1 Ų103.147%0.47253%0.529SS..Hα-helixtrans-74-41175.4-74.9-179.1167.400111.6K24 N25 V32K24-E28 WeakPolarHBondContact CE-OE1 3.41Å; K24-E28 HydrophobicContact CG-CG 4.39Å; K24-E28 IonicContact NZ-OE1 3.26Å; K24-E28 PolarHBondContact NZ-OE1 3.25Å; K24-E28 WeakPolarHBondContact O-CB 3.15Å; K24-E28 WeakPolarHBondContact O-CG 3.49Å; K24-E28 PolarHBondContact O-N 2.66Å; N25-E28 CarbonylContact O-C 3.53Å; N25-E28 PolarHBondContact O-N 2.73Å; N25-E28 VanDerWaalsContact O-N 3.15Å; E28-V32 WeakPolarHBondContact O-CB 3.41Å; E28-V32 WeakPolarHBondContact O-CG2 3.32Å; E28-V32 PolarHBondContact O-N 3.34Å
29D54.3Low45Very low110 Ų110104.2 Ų104.259%0.58853%0.528SS*.Hα-helixtrans-68.9-53.7177.2-72.9-36.4000112.3N25 G31 V32 Q33N25-D29 WeakPolarHBondContact O-CB 3.08Å; N25-D29 PolarHBondContact O-N 2.77Å; D29-G31 VanDerWaalsContact C-N 3.34Å; D29-V32 PolarHBondContact O-N 2.76Å; D29-Q33 PolarHBondContact O-N 2.7Å
30E46.6Very low44.5Very low115 Ų115110.6 Ų110.654%0.53754%0.544SS..Hα-helixtrans-69.7-32.9177.2-67.6-176.2-162.300111.3K26 Q33 A34K26-E30 WeakPolarHBondContact CE-OE1 2.92Å; K26-E30 HydrophobicContact CG-CG 4.48Å; K26-E30 IonicContact NZ-OE1 3.88Å; K26-E30 WeakPolarHBondContact O-CB 3.41Å; K26-E30 PolarHBondContact O-N 3.4Å; E30-Q33 PolarHBondContact O-N 2.69Å; E30-A34 WeakPolarHBondContact O-CB 3.26Å; E30-A34 PolarHBondContact O-N 2.64Å
31G43.9Very low44Very low25 Ų25110.1 Ų110.126%0.25854%0.541SS..Hα-helixtrans-68.7-30.5172.400000113.6I27 D29 R35I27-G31 WeakPolarHBondContact O-CA 3.32Å; I27-G31 PolarHBondContact O-N 2.75Å; D29-G31 VanDerWaalsContact C-N 3.34Å; G31-R35 VanDerWaalsContact O-CB 3.28Å; G31-R35 WeakPolarHBondContact O-CB 3.19Å; G31-R35 VanDerWaalsContact O-CG 3.26Å; G31-R35 WeakPolarHBondContact O-CG 3.36Å; G31-R35 PolarHBondContact O-N 2.83Å
32V48.5Very low43.2Very low77 Ų77113 Ų11347%0.46756%0.555SS.*Hα-helixtrans-72-39.5170162.10000110.6E28 D29 N36E28-V32 WeakPolarHBondContact O-CB 3.41Å; E28-V32 WeakPolarHBondContact O-CG2 3.32Å; E28-V32 PolarHBondContact O-N 3.34Å; D29-V32 PolarHBondContact O-N 2.76Å; V32-N36 WeakPolarHBondContact CG1-ND2 3.42Å; V32-N36 WeakPolarHBondContact O-CB 3.19Å; V32-N36 PolarHBondContact O-N 3.12Å; V32-N36 PolarHBondContact O-ND2 2.62Å
33Q40.8Very low42.4Very low135 Ų135110 Ų11063%0.63156%0.558SS**Hα-helixtrans-63.2-48.3171.8-69.3-16412.100111.8D29 E30 R35 N36 I37D29-Q33 PolarHBondContact O-N 2.7Å; E30-Q33 PolarHBondContact O-N 2.69Å; Q33-R35 PolarHBondContact O-N 3.21Å; Q33-N36 CarbonylContact O-C 3.57Å; Q33-N36 PolarHBondContact O-N 2.97Å; Q33-N36 VanDerWaalsContact O-N 3.08Å; Q33-I37 WeakPolarHBondContact O-CG1 3.12Å; Q33-I37 PolarHBondContact O-N 2.68Å
34A34.3Very low41.4Very low53 Ų53113 Ų11344%0.43857%0.573SS.*Hα-helixtrans-58.3-45.3176.700000112.2E30 N36 I37 I38E30-A34 WeakPolarHBondContact O-CB 3.26Å; E30-A34 PolarHBondContact O-N 2.64Å; A34-N36 PolarHBondContact O-N 2.69Å; A34-I37 PolarHBondContact O-N 3.42Å; A34-I38 WeakPolarHBondContact O-CG1 3.42Å; A34-I38 PolarHBondContact O-N 2.87Å; A34-I38 VanDerWaalsContact O-N 3.14Å
35R35.9Very low40.1Very low188 Ų188114.9 Ų114.971%0.70959%0.589SS**Hα-helixtrans-67.8-31.3174.6-74.6176.5179.4165.32.9113.1G31 Q33 I38 K39G31-R35 VanDerWaalsContact O-CB 3.28Å; G31-R35 WeakPolarHBondContact O-CB 3.19Å; G31-R35 VanDerWaalsContact O-CG 3.26Å; G31-R35 WeakPolarHBondContact O-CG 3.36Å; G31-R35 PolarHBondContact O-N 2.83Å; Q33-R35 PolarHBondContact O-N 3.21Å; R35-I38 CarbonylContact O-C 3.57Å; R35-I38 PolarHBondContact O-N 3.41Å; R35-K39 WeakPolarHBondContact O-CG 2.89Å; R35-K39 PolarHBondContact O-N 3.12Å; R35-K39 VanDerWaalsContact O-N 3.09Å
36N35.9Very low38.4Very low76 Ų76117.2 Ų117.241%0.40660%0.601SS.*Hα-helixtrans-75.9-29.2176.7-73.2-15.6000112.6V32 Q33 A34 I38 K39V32-N36 WeakPolarHBondContact CG1-ND2 3.42Å; V32-N36 WeakPolarHBondContact O-CB 3.19Å; V32-N36 PolarHBondContact O-N 3.12Å; V32-N36 PolarHBondContact O-ND2 2.62Å; Q33-N36 CarbonylContact O-C 3.57Å; Q33-N36 PolarHBondContact O-N 2.97Å; Q33-N36 VanDerWaalsContact O-N 3.08Å; A34-N36 PolarHBondContact O-N 2.69Å; N36-I38 VanDerWaalsContact C-N 3.3Å; N36-K39 WeakPolarHBondContact O-CB 3.45Å; N36-K39 PolarHBondContact O-N 3.48Å; N36-K39 VanDerWaalsContact O-N 3.13Å; N36-K39 WeakPolarHBondContact OD1-CD 3.31Å; N36-K39 WeakPolarHBondContact OD1-CE 3.29Å; N36-K39 PolarHBondContact OD1-NZ 3Å
37I34.5Very low37Very low135 Ų135118.2 Ų118.269%0.69262%0.618SS**Hα-helixtrans-69-33.3168.9-68.4168.9000110.4Q33 A34 K39Q33-I37 WeakPolarHBondContact O-CG1 3.12Å; Q33-I37 PolarHBondContact O-N 2.68Å; A34-I37 PolarHBondContact O-N 3.42Å; I37-K39 PolarHBondContact O-N 2.91Å
38I33.9Very low35.5Very low129 Ų129118 Ų11866%0.66263%0.627SS**THydrogen-bonded Turntrans-76.4-5.6171.4-63.7168000112.3A34 R35 N36 Y40A34-I38 WeakPolarHBondContact O-CG1 3.42Å; A34-I38 PolarHBondContact O-N 2.87Å; A34-I38 VanDerWaalsContact O-N 3.14Å; R35-I38 CarbonylContact O-C 3.57Å; R35-I38 PolarHBondContact O-N 3.41Å; N36-I38 VanDerWaalsContact C-N 3.3Å; I38-Y40 PolarHBondContact O-N 2.91Å; I38-Y40 VanDerWaalsContact O-N 3.15Å
39K31.1Very low33.9Very low138 Ų138119.1 Ų119.160%0.665%0.645SS**THydrogen-bonded Turntrans-79.819.9179.1-89.1-179.1-166.1161.10116.3R35 N36 I37 S41R35-K39 WeakPolarHBondContact O-CG 2.89Å; R35-K39 PolarHBondContact O-N 3.12Å; R35-K39 VanDerWaalsContact O-N 3.09Å; N36-K39 WeakPolarHBondContact O-CB 3.45Å; N36-K39 PolarHBondContact O-N 3.48Å; N36-K39 VanDerWaalsContact O-N 3.13Å; N36-K39 WeakPolarHBondContact OD1-CD 3.31Å; N36-K39 WeakPolarHBondContact OD1-CE 3.29Å; N36-K39 PolarHBondContact OD1-NZ 3Å; I37-K39 PolarHBondContact O-N 2.91Å; K39-S41 PolarHBondContact O-N 3.12Å
40Y30Very low32.5Very low225 Ų225119.1 Ų119.188%0.88265%0.651SS**  trans-73.655.8145.8-76.6-76.3000110I38I38-Y40 PolarHBondContact O-N 2.91Å; I38-Y40 VanDerWaalsContact O-N 3.15Å
41S30.7Very low31.4Very low70 Ų70124.9 Ų124.949%0.4967%0.668SS.*PPolyproline II helixtrans-78.5136.9-175.9-61.10000110.9K39K39-S41 PolarHBondContact O-N 3.12Å
42V29.1Very low30.5Very low127 Ų127134.6 Ų134.677%0.7770%0.697SS**PPolyproline II helixtrans-59139.7159.7177.80000108.5I44V42-I44 PolarHBondContact O-N 3.22Å
43P29.2Very low29.2Very low112 Ų112142 Ų14273%0.72772%0.718SS**PPolyproline II helixtrans-54.9136-173-29.736.4000114.5
44I25.8Very low28.6Very low144 Ų144141.7 Ų141.774%0.73873%0.725SS**  trans-95.890.4172.5-56.2175.8000108V42 N46V42-I44 PolarHBondContact O-N 3.22Å; I44-N46 PolarHBondContact O-N 3.01Å
45D29Very low28.1Very low157 Ų157143.2 Ų143.284%0.8474%0.738SS**  trans-70.996.2167.3-75.3-34.4000109.1
46N25.7Very low27.5Very low134 Ų134143.6 Ų143.672%0.71774%0.744SS**  trans-73.2128.5-174.6-150.815.1000110.4I44 S48I44-N46 PolarHBondContact O-N 3.01Å; N46-S48 PolarHBondContact O-N 2.75Å
47P24.9Very low27Very low117 Ų117146.2 Ų146.276%0.7677%0.767SS**  trans-73.4132.2-170.428.7-34.9000112.2
48S23.9Very low26.5Very low111 Ų111146.4 Ų146.478%0.77677%0.77SS**  trans-13692177-77.10000113.1N46N46-S48 PolarHBondContact O-N 2.75Å
49S22.9Very low25.8Very low124 Ų124149.4 Ų149.487%0.86778%0.778SS**  trans69.1158.4157-69.60000119.9
50P26.5Very low25.4Very low109 Ų109148.9 Ų148.971%0.70879%0.787SS**  trans-129.2-169-156.737.1-16.4000114.5
51R21.9Very low25.2Very low236 Ų236145.8 Ų145.889%0.89179%0.785SS**  trans79.6117.1171.2-51.2173.4172.9-164.4-2.4116.4
52R26.3Very low24.8Very low230 Ų230148 Ų14887%0.86880%0.797SS**  -154.8124.1101.9-170.4160.7-76.2165.1-3.6111.5V54R52-V54 HydrophobicContact CG-CG2 4.3Å
53Y21Very low24.6Very low231 Ų231147.9 Ų147.991%0.90680%0.802SS**  trans-79129.6164-106.2-108.4000108.7
54V28.3Very low24.3Very low130 Ų130148 Ų14879%0.78881%0.806SS**  trans-143151.2151.9-175.80000106.8R52R52-V54 HydrophobicContact CG-CG2 4.3Å
55A24Very low24.3Very low84 Ų84144.6 Ų144.669%0.69481%0.806SS**  trans-108.9171.6-168.900000113.7
56K23.3Very low24.1Very low196 Ų196144.2 Ų144.285%0.85280%0.803SS**  trans39.3121.9153.2-70.4-175.4173-171.90119.5
57C25.2Very low24.2Very low131 Ų131147.2 Ų147.289%0.88581%0.813SS**  -161.1169.3124.138.20000110.4
58D23Very low24.2Very low140 Ų140148.8 Ų148.875%0.74981%0.81SS**  trans-116160.3-162-69-85.2000113.7
59F20.4Very low24.3Very low191 Ų191148.9 Ų148.984%0.83880%0.802SS**  trans81.9150.5143.4-110.7-112.7000123.3
60T23.1Very low24.3Very low127 Ų127149.9 Ų149.978%0.77980%0.796SS**  trans80.9126159.38.80000121.5
61L24.1Very low24.3Very low160 Ų160151.2 Ų151.284%0.83880%0.803SS**  trans-72.8162163.5-58.999.4000110.9
62P22.5Very low24.4Very low116 Ų116145.8 Ų145.875%0.75380%0.801SS**  -145162.889.839-24.4000115.3
63S26.2Very low24.5Very low125 Ų125139.4 Ų139.487%0.87479%0.792SS**  trans-162.7111.6162.1-75.60000110.3
64S23.1Very low25Very low116 Ų116132.6 Ų132.681%0.81179%0.792SS**  trans-163.5128.6178.957.20000111.4
65G24.8Very low25.1Very low72 Ų72134.9 Ų134.974%0.74279%0.791SS**  trans76.6161-17100000112.6
66L24.8Very low25.2Very low148 Ų148137.1 Ų137.178%0.77579%0.791SS**  cis-159.4126.2-2.2-115.8163.6000107.4
67E27Very low25.3Very low197 Ų197136.1 Ų136.192%0.92179%0.787SS**  trans-138.6149.8162.6-76-162.313800109.6
68Q26.4Very low25.2Very low151 Ų151137 Ų13771%0.70678%0.781SS**  trans-130156.6-160-81.9-176.3-106.100113.4
69D24.6Very low25.3Very low113 Ų113139.5 Ų139.560%0.60479%0.785SS**  trans58.697.4144.5-56.5-25.3000120.5
70I22.9Very low25.7Very low145 Ų145138.5 Ų138.574%0.74479%0.787SS**  47.6112.1111.4-55155.8000116.6
71T27.8Very low25.8Very low137 Ų137136.4 Ų136.484%0.8478%0.782SS**  -169.9118115.117.40000112.6
72S23.9Very low26.2Very low121 Ų121136.8 Ų136.885%0.84679%0.786SS**  trans-149.8126.4153.663.10000110.2
73S29.3Very low26.4Very low97 Ų97134.4 Ų134.468%0.67878%0.782SS**  trans-161.189.4171.351.20000112.3
74G30.5Very low26.3Very low88 Ų88136 Ų13691%0.90778%0.78SS**  trans-67.6130.9157.600000109.1
75K29.8Very low26.4Very low177 Ų177136 Ų13677%0.7778%0.781SS**  trans-98148-165.1-68.4174.8179.3169.40113.4
76N26.7Very low26.5Very low132 Ų132136.2 Ų136.271%0.70678%0.775SS**  trans71.9149.5145.2-73.9-18.4000119.2
77K25Very low26.6Very low174 Ų174135.9 Ų135.976%0.75777%0.773SS**  cis-170179.7-27.1-138177.3-167.1171.90109.7
78I24.2Very low26.5Very low150 Ų150135.5 Ų135.577%0.76977%0.768SS**  trans78.282.3161.8-59.4146.4000115.9
79K24.3Very low26.4Very low192 Ų192135.6 Ų135.684%0.83577%0.773SS**  1.6134127.9-54.9177.8176.5-173.40117.2
80I28.8Very low26.5Very low171 Ų171135.2 Ų135.288%0.87778%0.78SS**  -117.1143.5129.3-65.3-179.5000106.6
81A26.2Very low26.4Very low82 Ų82135.1 Ų135.168%0.67878%0.78SS**  trans-109.1148.2178.500000110.5
82N32.4Very low26.3Very low169 Ų169139.7 Ų139.790%0.90478%0.783SS**  trans-138128.6151.7-88.8-33.6000106
83G26.4Very low26.3Very low65 Ų65137.1 Ų137.167%0.6777%0.766SS**  trans-104.9172.5-173.800000113.2
84D24.5Very low26.1Very low159 Ų159140.2 Ų140.285%0.8577%0.769SS**  trans39.8117.6141.9-48.1-32000118.6
85S24.9Very low25.9Very low117 Ų117141.3 Ų141.382%0.81876%0.758SS**  173.3-177.783.753.80000113.2
86A27Very low25.7Very low76 Ų76140.7 Ų140.763%0.62876%0.756SS**  trans86.8112.4147.400000120.2
87I26.1Very low25.5Very low141 Ų141140 Ų14072%0.72376%0.761SS**  trans68.9103.2132-60.3169.5000115.3
88K24.3Very low25.5Very low188 Ų188136.7 Ų136.782%0.81776%0.759SS**  68.1155.368.7-71.1-171.6172.6-177.40114.2
89N25Very low25.7Very low153 Ų153136.7 Ų136.782%0.81876%0.76SS**  trans78.9133.2-178.1-48.5-13.2000112.8
90S26.2Very low25.6Very low105 Ų105135.7 Ų135.773%0.73476%0.764SS**  cis-143.9145.1-11.3-164.10000110.5
91L20.3Very low25.5Very low144 Ų144132.3 Ų132.375%0.75476%0.756SS**  trans-66.7138.4152.7-99.966.9000107.9
92Y27.2Very low25.7Very low232 Ų232136.7 Ų136.791%0.9176%0.761SS**  trans-141106.7139.8-129.3-80.5000107.8
93S23.2Very low25.4Very low68 Ų68137.3 Ų137.348%0.47676%0.759SS.*  trans-105.6-176.3179.147.60000110.1
94E25.6Very low25.7Very low162 Ų162139.6 Ų139.676%0.75777%0.765SS**  trans70.9148.4172.9-45.3-175.287.300113.6
95V25.9Very low25.7Very low111 Ų111139.9 Ų139.967%0.67377%0.766SS**  cis-150.2119.238.4163.90000112.2
96K25.4Very low25.8Very low164 Ų164139.3 Ų139.371%0.71376%0.762SS**  trans56.3162.1135.5-52.4172.5-160.8168.30122.5
97S23.6Very low25.7Very low116 Ų116143.6 Ų143.681%0.81177%0.774SS**  trans64.3149.7168.1380000116.8
98C24.5Very low26.1Very low106 Ų106141.6 Ų141.672%0.71677%0.772SS**  cis-161.1152.4-540.80000107.5
99D27.6Very low26.4Very low149 Ų149138.4 Ų138.480%0.79777%0.769SS**  cis-134149.51.6-85.2-49000111.6
100N22.3Very low26.4Very low172 Ų172138 Ų13892%0.9277%0.766SS**  trans-88.2124.1164.5-79.3-23.4000109.5
101S26.6Very low26.6Very low100 Ų100140.1 Ų140.170%0.69977%0.769SS**  trans-150.3140.4159.471.20000109.5
102H31.6Very low27.3Very low173 Ų173138.2 Ų138.280%0.80177%0.769SS**  cis-120.8135.3-1.9-99.5-86.2000111.5
103E25.5Very low27.4Very low182 Ų182137.8 Ų137.885%0.8577%0.765SS**  trans-75.1134.7153.9-65.1-175.111600109.2
104S32.6Very low27.8Very low113 Ų113141.1 Ų141.179%0.7977%0.771SS**  trans-140.180.4172.7-73.80000109.5
105N24.8Very low28Very low165 Ų165140 Ų14088%0.88277%0.766SS**  trans-99.8114.6175.9-117.9-26000109.7
106S26.1Very low28.1Very low105 Ų105145.1 Ų145.173%0.73477%0.773SS**  trans-140.695.516667.20000111.3
107L25.2Very low28.4Very low167 Ų167143.8 Ų143.887%0.87478%0.779SS**  trans67.7166.5161.3-102.372.3000117.9
108S34.9Very low28.3Very low99 Ų99142.5 Ų142.569%0.69278%0.775SS**  trans41.9128.7141.9-133.10000120.4
109T30.9Very low28.5Very low121 Ų121142.6 Ų142.674%0.74278%0.777SS**  cis-168.6170.2-5.88.60000108.3
110N24.6Very low28.1Very low143 Ų143142.8 Ų142.877%0.76578%0.778SS**  trans-51.9146179.3-56.4-31.9000115.6
111N31.3Very low28.1Very low150 Ų150140.3 Ų140.380%0.80277%0.769SS**  trans74.1148.6172.7-40.3-60.7000114.4
112S34.3Very low27.7Very low105 Ų105146.2 Ų146.273%0.73478%0.776SS**  cis-169.6170.338.4-52.90000114.5
113R29.4Very low27.4Very low222 Ų222143.4 Ų143.484%0.83878%0.776SS**  trans75.1117.5139.7-90.4-170.8169.4177.6-3.5124.3
114K31Very low27.1Very low139 Ų139137.9 Ų137.960%0.60477%0.768SS**  58125.1111.5-80.3-175.1168.7-88.60123.7
115E30Very low26.8Very low138 Ų138137.7 Ų137.765%0.64577%0.767SS**  69.2132120.3-67.9166.2-166.800125.1
116R27.7Very low27Very low219 Ų219136.6 Ų136.683%0.82676%0.76SS**  trans77.9165.4144.2-69.216675125.10.7119.4
117T31.6Very low27.1Very low136 Ų136138.4 Ų138.483%0.83476%0.76SS**  trans63.9120.1-172.864.20000114.4
118A21.8Very low27.2Very low88 Ų88135 Ų13573%0.72775%0.75SS**  cis74.6145.313.300000116.9
119S27.7Very low27.1Very low108 Ų108135.4 Ų135.476%0.75575%0.748SS**  trans67.3129.6-166.6740000113.5
120N19.1Very low26.8Very low153 Ų153136.8 Ų136.882%0.81875%0.751SS**  52.895.959-81.2-1.6000113.4
121T23.5Very low26.9Very low121 Ų121134.5 Ų134.574%0.74275%0.746SS**  trans-165113135.712.40000113.3
122R18.4Very low26.7Very low224 Ų224138.3 Ų138.385%0.84575%0.75SS**  42.3102.9108.2-178.9-160.2-176.2-172.12.9116.9
123S24.1Very low26.3Very low113 Ų113139 Ų13979%0.7975%0.75SS**  178.3128.3116.7-73.40000108.9
124G21Very low26.2Very low66 Ų66134.6 Ų134.668%0.6875%0.747SS**  cis89.6152.64.700000113
125S25.6Very low25.8Very low110 Ų110133.4 Ų133.477%0.76976%0.755SS**  trans69.7149.3-162-113.20000112.8
126L29.6Very low25.5Very low142 Ų142130.3 Ų130.374%0.74375%0.748SS**  cis-128.5137.819.6-67.5159.9000112.8
127I26.6Very low25.3Very low143 Ų143127.6 Ų127.673%0.73375%0.745SS**  61.8130127.4-61.9175.1000117.4
128S27.5Very low25.1Very low94 Ų94129.1 Ų129.166%0.65775%0.747SS**  cis-159.8-177.923.2-145.50000115.7
129T32.4Very low25.1Very low108 Ų108132 Ų13266%0.66375%0.745SS**  trans62.7107150.145.40000121.1
130N24.9Very low25Very low150 Ų150138.4 Ų138.480%0.80275%0.753SS**  50.3135.999.5-64.1-6.8000119.4
131S27.6Very low25.3Very low95 Ų95137.2 Ų137.266%0.66474%0.742SS**  cis-172.3172.31.453.60000113.2
132R27.2Very low25.5Very low231 Ų231141.9 Ų141.987%0.87275%0.753SS**  trans74.5153.6161.2-69.1178.2166.1166.1-3.8118
133T24.6Very low25.7Very low119 Ų119136.8 Ų136.873%0.7374%0.742SS**  cis-174.5167.2-29.6-88.20000105.8
134V28.8Very low25.6Very low130 Ų130137 Ų13779%0.78874%0.744SS**  trans80.7105.1-179.5-168.10000111.4
135C22.2Very low25.7Very low113 Ų113140 Ų14076%0.76475%0.749SS**  cis74.812531.8-149.40000111.9
136S23.6Very low25.6Very low73 Ų73139 Ų13951%0.5174%0.742SS.*  cis-174.8173.9-4.441.40000108.8
137Q24.3Very low25.2Very low162 Ų162138.8 Ų138.876%0.75775%0.746SS**  trans55.8125.2160.4-66126.5-1500117.6
138L26.1Very low25Very low168 Ų168137.7 Ų137.788%0.8875%0.746SS**  -130.6131.358.2-85.3161.7000113.7
139H22.1Very low24.8Very low149 Ų149138.2 Ų138.269%0.6975%0.747SS**  trans-90.9145.7158.2-67.813.1000109.2
140R26.8Very low24.3Very low243 Ų243143.8 Ų143.892%0.91776%0.758SS**  -137.8123.7129.1-71-159.6-175.3-141.1-0.8110.6
141H24.5Very low24.2Very low127 Ų127147 Ų14759%0.58876%0.759SS**  trans-45152.3165-68.1-115.9000112.9D143H141-D143 IonicContact CE1-OD2 3.46Å; H141-D143 IonicContact CG-OD2 2.6Å; H141-D143 IonicContact ND1-OD2 3.31Å; H141-D143 PolarHBondContact ND1-OD2 2.92Å
142F27.7Very low23.9Very low219 Ų219154.1 Ų154.196%0.96177%0.771SS**  -142.2136.3104-107.1-74.4000110.5
143D22.9Very low23.9Very low117 Ų117149.4 Ų149.463%0.62676%0.762SS**  trans-81.6157.7-170.9-73.7-89.7000113.7H141 V145H141-D143 IonicContact CE1-OD2 3.46Å; H141-D143 IonicContact CG-OD2 2.6Å; H141-D143 IonicContact ND1-OD2 3.31Å; H141-D143 PolarHBondContact ND1-OD2 2.92Å; D143-V145 PolarHBondContact O-N 2.95Å
144S22.5Very low24.1Very low118 Ų118150 Ų15083%0.82576%0.76SS**  trans-67124.2-178.557.30000112.8
145V22.6Very low24.1Very low129 Ų129155.9 Ų155.978%0.78277%0.768SS**  trans-125.6111.1164.31790000110.2D143D143-V145 PolarHBondContact O-N 2.95Å
146S22.2Very low24.6Very low89 Ų89154.3 Ų154.362%0.62277%0.772SS**  trans31.6111.9163.764.10000119.3V148S146-V148 PolarHBondContact O-N 2.73Å
147T22.2Very low25.3Very low137 Ų137159.4 Ų159.484%0.8478%0.78SS**  trans-55.2106144.4-54.10000110.2
148V22.2Very low26.4Very low121 Ų121157 Ų15773%0.73378%0.778SS**PPolyproline II helixtrans-86128.3157177.50000107.2S146S146-V148 PolarHBondContact O-N 2.73Å
149P24.3Very low27.5Very low104 Ų104152.6 Ų152.668%0.67576%0.755SS**PPolyproline II helixtrans-65.1139.8-168.6-24.334.7000114.2R151P149-R151 PolarHBondContact O-N 2.78Å
150Y21.8Very low29.8Very low226 Ų226148.3 Ų148.389%0.88674%0.739SS**PPolyproline II helixtrans-49118.1169.2-170.5-92.5000110.4R152Y150-R152 PolarHBondContact O-N 2.61Å; Y150-R152 VanDerWaalsContact O-N 3.15Å
151R22.4Very low31.5Very low218 Ų218141.3 Ų141.382%0.82372%0.717SS**PPolyproline II helixtrans-60120.3-173.9-78.3-174.2177.8174.90110.5P149 I153P149-R151 PolarHBondContact O-N 2.78Å; R151-I153 PolarHBondContact O-N 3.41Å
152R21.9Very low33.9Very low244 Ų244139.4 Ų139.492%0.92172%0.718SS**  trans-69.788.2179.1-175.7-164.3-66-178.6-1.1110.6Y150Y150-R152 PolarHBondContact O-N 2.61Å; Y150-R152 VanDerWaalsContact O-N 3.15Å
153I26.4Very low36.3Very low132 Ų132132.9 Ų132.968%0.67769%0.69SS**  trans-111.6121.2171.8-62.2-179.8000109.6R151R151-I153 PolarHBondContact O-N 3.41Å
154N27.6Very low39Very low132 Ų132130.9 Ų130.971%0.70668%0.675SS**  trans49.161.4160.9-58.4-6.6000118.2
155R28.8Very low41.6Very low252 Ų252128.6 Ų128.695%0.95165%0.65SS**SBendtrans-67122.4137.5-73.7-175.9176.8179.3-1.7107.4
156G34Very low44.2Very low81 Ų81125.2 Ų125.284%0.83564%0.635SS**SBendtrans129.7-11164.900000118.1
157R38.4Very low47.1Very low180 Ų180128.9 Ų128.968%0.67964%0.635SS**PPolyproline II helixtrans-100125.9171.3-158.7177.6-166.2-106.34.1110.1
158P47.8Very low49.9Very low110 Ų110123.9 Ų123.971%0.71460%0.601SS**PPolyproline II helixtrans-57142.4166.5-23.134.1000110.4T160P158-T160 PolarHBondContact O-N 3.41Å
159L47.9Very low52.8Low76 Ų76124.8 Ų124.840%0.39859%0.592SS.*PPolyproline II helixtrans-62.6134.5168.2-68.2169.1000108.4E163 Y164L159-E163 HydrophobicContact CB-CB 4.41Å; L159-E163 HydrophobicContact CD2-CB 4.1Å; L159-Y164 HydrophobicContact CD1-CD2 4.29Å
160T70Confident55.6Low59 Ų59121.4 Ų121.436%0.36258%0.575SS.*PPolyproline II helixtrans-64.2155.916760.60000109.9P158 S162 E163 Y164P158-T160 PolarHBondContact O-N 3.41Å; T160-S162 PolarHBondContact O-N 2.76Å; T160-S162 VanDerWaalsContact O-N 3.16Å; T160-E163 VanDerWaalsContact CB-OE2 3.31Å; T160-E163 WeakPolarHBondContact CB-OE2 2.98Å; T160-E163 WeakPolarHBondContact CG2-OE2 3.38Å; T160-E163 PolarHBondContact N-OE2 2.79Å; T160-E163 PolarHBondContact O-N 3.4Å; T160-E163 VanDerWaalsContact O-N 3.1Å; T160-E163 VanDerWaalsContact OG1-CG 3.27Å; T160-E163 WeakPolarHBondContact OG1-CG 2.99Å; T160-E163 PolarHBondContact OG1-N 2.85Å; T160-E163 PolarHBondContact OG1-OE2 2.95Å; T160-Y164 PolarHBondContact O-N 2.77Å
161E64.3Low58.6Low97 Ų97117 Ų11745%0.45356%0.563SS.*Hα-helixtrans-56.4-33.6177.8-161.6-162.2150.100111.8K165 L253E161-K165 HydrophobicContact CG-CD 4.28Å; E161-K165 VanDerWaalsContact O-CB 3.26Å; E161-K165 WeakPolarHBondContact O-CB 3.04Å; E161-K165 VanDerWaalsContact O-CG 3.26Å; E161-K165 WeakPolarHBondContact O-CG 2.93Å; E161-K165 PolarHBondContact O-N 3.16Å; E161-K165 WeakPolarHBondContact OE1-CE 3.26Å; E161-K165 IonicContact OE1-NZ 3.02Å; E161-K165 PolarHBondContact OE1-NZ 3.09Å; E161-L253 HydrophobicContact CG-CD2 3.99Å
162S74.3Confident61.6Low87 Ų87110 Ų11061%0.60854%0.54SS*.Hα-helixtrans-65.7-50.7173.9-171.90000112.5T160 Y164 K165 A166T160-S162 PolarHBondContact O-N 2.76Å; T160-S162 VanDerWaalsContact O-N 3.16Å; S162-Y164 VanDerWaalsContact C-N 3.28Å; S162-Y164 PolarHBondContact O-N 3.38Å; S162-K165 PolarHBondContact O-N 2.67Å; S162-A166 WeakPolarHBondContact O-CB 3.36Å; S162-A166 PolarHBondContact O-N 3.49Å
163E77.8Confident64.8Low81 Ų81103.1 Ų103.138%0.37952%0.521SS..Hα-helixtrans-61.5-36.5176.2-70.1164113.200112.1L159 T160 R167L159-E163 HydrophobicContact CB-CB 4.41Å; L159-E163 HydrophobicContact CD2-CB 4.1Å; T160-E163 VanDerWaalsContact CB-OE2 3.31Å; T160-E163 WeakPolarHBondContact CB-OE2 2.98Å; T160-E163 WeakPolarHBondContact CG2-OE2 3.38Å; T160-E163 PolarHBondContact N-OE2 2.79Å; T160-E163 PolarHBondContact O-N 3.4Å; T160-E163 VanDerWaalsContact O-N 3.1Å; T160-E163 VanDerWaalsContact OG1-CG 3.27Å; T160-E163 WeakPolarHBondContact OG1-CG 2.99Å; T160-E163 PolarHBondContact OG1-N 2.85Å; T160-E163 PolarHBondContact OG1-OE2 2.95Å; E163-R167 VanDerWaalsContact O-CG 3.32Å; E163-R167 WeakPolarHBondContact O-CG 2.89Å; E163-R167 PolarHBondContact O-N 2.68Å; E163-R167 VanDerWaalsContact O-N 3.1Å
164Y78.9Confident67.8Low76 Ų7699.9 Ų99.930%0.29851%0.506SS..Hα-helixtrans-67.3-50.3174.9-172.8-84000111.4L159 T160 S162 A166 R167 Y168 V252L159-Y164 HydrophobicContact CD1-CD2 4.29Å; T160-Y164 PolarHBondContact O-N 2.77Å; S162-Y164 VanDerWaalsContact C-N 3.28Å; S162-Y164 PolarHBondContact O-N 3.38Å; Y164-A166 VanDerWaalsContact C-N 3.31Å; Y164-A166 PolarHBondContact O-N 3.18Å; Y164-R167 PolarHBondContact O-N 2.82Å; Y164-Y168 HydrophobicContact CE1-CD2 4.49Å; Y164-Y168 WeakPolarHBondContact O-CB 3.33Å; Y164-Y168 PolarHBondContact O-N 2.71Å; Y164-V252 HydrophobicContact CD1-CG1 4.43Å; Y164-V252 HydrophobicContact CE1-CG1 3.48Å; Y164-V252 VanDerWaalsContact CE1-CG1 3.48Å; Y164-V252 WeakPolarHBondContact OH-CG1 3.18Å
165K77.7Confident70.7Confident70 Ų7097 Ų9730%0.30449%0.493SS..Hα-helixtrans-55.2-45.3175.5-82.4168.7163.7169.80111.4E161 S162 Y168 W169 M249 L253E161-K165 HydrophobicContact CG-CD 4.28Å; E161-K165 VanDerWaalsContact O-CB 3.26Å; E161-K165 WeakPolarHBondContact O-CB 3.04Å; E161-K165 VanDerWaalsContact O-CG 3.26Å; E161-K165 WeakPolarHBondContact O-CG 2.93Å; E161-K165 PolarHBondContact O-N 3.16Å; E161-K165 WeakPolarHBondContact OE1-CE 3.26Å; E161-K165 IonicContact OE1-NZ 3.02Å; E161-K165 PolarHBondContact OE1-NZ 3.09Å; S162-K165 PolarHBondContact O-N 2.67Å; K165-Y168 PolarHBondContact O-N 2.93Å; K165-W169 WeakPolarHBondContact O-CB 3.39Å; K165-W169 VanDerWaalsContact O-CD1 3.23Å; K165-W169 PolarHBondContact O-N 2.77Å; K165-M249 HydrophobicContact CG-CE 4.07Å; K165-M249 HydrophobicContact CG-SD 4.32Å; K165-L253 HydrophobicContact CG-CD2 4.48Å
166A77.5Confident73.5Confident57 Ų5789.6 Ų89.647%0.47147%0.471SS..Hα-helixtrans-62-44.8178.200000112.5S162 Y164 W169 G170S162-A166 WeakPolarHBondContact O-CB 3.36Å; S162-A166 PolarHBondContact O-N 3.49Å; Y164-A166 VanDerWaalsContact C-N 3.31Å; Y164-A166 PolarHBondContact O-N 3.18Å; A166-W169 PolarHBondContact O-N 3.4Å; A166-G170 PolarHBondContact O-N 3.32Å
167R83.4Confident76.1Confident167 Ų16791.6 Ų91.663%0.6345%0.454SS*.Hα-helixtrans-65.6-39175.5-72.8177-177.4-155.21.8112.6E163 Y164 G170 Q171E163-R167 VanDerWaalsContact O-CG 3.32Å; E163-R167 WeakPolarHBondContact O-CG 2.89Å; E163-R167 PolarHBondContact O-N 2.68Å; E163-R167 VanDerWaalsContact O-N 3.1Å; Y164-R167 PolarHBondContact O-N 2.82Å; R167-G170 PolarHBondContact O-N 3.43Å; R167-Q171 WeakPolarHBondContact O-CB 3.38Å; R167-Q171 PolarHBondContact O-N 3.47Å
168Y80.4Confident78.6Confident31 Ų3189.3 Ų89.312%0.12245%0.445CS..Hα-helixtrans-64.7-44.1176177.6-87.4000111.6Y164 K165 Q171 M172 I248 M249Y164-Y168 HydrophobicContact CE1-CD2 4.49Å; Y164-Y168 WeakPolarHBondContact O-CB 3.33Å; Y164-Y168 PolarHBondContact O-N 2.71Å; K165-Y168 PolarHBondContact O-N 2.93Å; Y168-Q171 PolarHBondContact O-N 2.63Å; Y168-M172 HydrophobicContact CD1-CE 4.05Å; Y168-M172 HydrophobicContact CD1-CG 4.25Å; Y168-M172 HydrophobicContact CD1-SD 4.21Å; Y168-M172 HydrophobicContact CE1-CE 3.54Å; Y168-M172 HydrophobicContact CE1-CG 3.74Å; Y168-M172 HydrophobicContact CE1-SD 3.28Å; Y168-M172 WeakPolarHBondContact CE1-SD 3.4Å; Y168-M172 WeakPolarHBondContact O-CG 2.99Å; Y168-M172 PolarHBondContact O-N 2.67Å; Y168-M172 PolarHBondContact OH-SD 3.41Å; Y168-I248 HydrophobicContact CE2-CG2 4.18Å; Y168-M249 HydrophobicContact CD1-CG 3.49Å; Y168-M249 VanDerWaalsContact CD1-CG 3.49Å; Y168-M249 HydrophobicContact CD1-SD 4.41Å; Y168-M249 HydrophobicContact CD2-CG 4.48Å; Y168-M249 HydrophobicContact CE1-CB 4Å; Y168-M249 HydrophobicContact CE1-CG 3.18Å; Y168-M249 HydrophobicContact CE2-CG 4.22Å; Y168-M249 HydrophobicContact CG-CG 4.15Å
169W84Confident80.8Confident141 Ų14187 Ų8753%0.53443%0.429SS..Hα-helixtrans-59.6-47.5172.6-88110.8000112.2K165 A166 Q171 M172 L173K165-W169 WeakPolarHBondContact O-CB 3.39Å; K165-W169 VanDerWaalsContact O-CD1 3.23Å; K165-W169 PolarHBondContact O-N 2.77Å; A166-W169 PolarHBondContact O-N 3.4Å; W169-Q171 VanDerWaalsContact C-N 3.32Å; W169-Q171 PolarHBondContact O-N 2.85Å; W169-M172 HydrophobicContact CD2-CE 3.9Å; W169-M172 HydrophobicContact CE3-CE 3.53Å; W169-M172 HydrophobicContact CH2-CE 4.26Å; W169-M172 HydrophobicContact CZ3-CE 3.74Å; W169-M172 PolarHBondContact O-N 3.24Å; W169-L173 WeakPolarHBondContact O-CG 2.92Å; W169-L173 PolarHBondContact O-N 2.65Å
170G82.8Confident82.8Confident32 Ų3286.6 Ų86.633%0.3343%0.427SS..Hα-helixtrans-55.9-45.8174.600000112.3A166 R167 L173 D174A166-G170 PolarHBondContact O-N 3.32Å; R167-G170 PolarHBondContact O-N 3.43Å; G170-L173 PolarHBondContact O-N 3.08Å; G170-D174 WeakPolarHBondContact O-CB 3.41Å; G170-D174 PolarHBondContact O-N 3.44Å
171Q84.1Confident83.8Confident135 Ų13587.9 Ų87.963%0.63143%0.431SS*.Hα-helixtrans-65.6-38.5177.7-179.11637500113.3R167 Y168 W169 T175R167-Q171 WeakPolarHBondContact O-CB 3.38Å; R167-Q171 PolarHBondContact O-N 3.47Å; Y168-Q171 PolarHBondContact O-N 2.63Å; W169-Q171 VanDerWaalsContact C-N 3.32Å; W169-Q171 PolarHBondContact O-N 2.85Å; Q171-T175 WeakPolarHBondContact O-CB 3.05Å; Q171-T175 PolarHBondContact O-N 2.73Å; Q171-T175 PolarHBondContact O-OG1 2.78Å
172M85.5Confident85.2Confident70 Ų7089.2 Ų89.235%0.34544%0.438SS..Hα-helixtrans-63.2-43.1173.6-72.5-160.8-54.600111.8Y168 W169 T175 L176Y168-M172 HydrophobicContact CD1-CE 4.05Å; Y168-M172 HydrophobicContact CD1-CG 4.25Å; Y168-M172 HydrophobicContact CD1-SD 4.21Å; Y168-M172 HydrophobicContact CE1-CE 3.54Å; Y168-M172 HydrophobicContact CE1-CG 3.74Å; Y168-M172 HydrophobicContact CE1-SD 3.28Å; Y168-M172 WeakPolarHBondContact CE1-SD 3.4Å; Y168-M172 WeakPolarHBondContact O-CG 2.99Å; Y168-M172 PolarHBondContact O-N 2.67Å; Y168-M172 PolarHBondContact OH-SD 3.41Å; W169-M172 HydrophobicContact CD2-CE 3.9Å; W169-M172 HydrophobicContact CE3-CE 3.53Å; W169-M172 HydrophobicContact CH2-CE 4.26Å; W169-M172 HydrophobicContact CZ3-CE 3.74Å; W169-M172 PolarHBondContact O-N 3.24Å; M172-T175 PolarHBondContact O-N 2.71Å; M172-L176 WeakPolarHBondContact O-CB 3.21Å; M172-L176 PolarHBondContact O-N 2.69Å
173L90.2Very high86Confident100 Ų10088.5 Ų88.552%0.52443%0.426SS..Hα-helixtrans-70.9-38.5-179.5-66.2171.7000112.5W169 G170 T175 R177W169-L173 WeakPolarHBondContact O-CG 2.92Å; W169-L173 PolarHBondContact O-N 2.65Å; G170-L173 PolarHBondContact O-N 3.08Å; L173-T175 VanDerWaalsContact C-N 3.33Å; L173-R177 WeakPolarHBondContact O-CB 3.36Å; L173-R177 PolarHBondContact O-N 2.67Å
174D88.2Confident86.6Confident64 Ų6492 Ų9234%0.34244%0.437SS..Hα-helixtrans-64.4-37.1170.9-95.7-33.8000112.3G170 R177 R178G170-D174 WeakPolarHBondContact O-CB 3.41Å; G170-D174 PolarHBondContact O-N 3.44Å; D174-R177 IonicContact OD1-CZ 2.83Å; D174-R177 IonicContact OD1-NH1 3.64Å; D174-R177 PolarHBondContact OD1-NH1 2.79Å; D174-R177 IonicContact OD1-NH2 2.74Å; D174-R177 PolarHBondContact OD1-NH2 3.43Å; D174-R178 WeakPolarHBondContact O-CG 3.33Å; D174-R178 PolarHBondContact O-N 2.84Å; D174-R178 VanDerWaalsContact O-N 3.09Å
175T88.2Confident87.2Confident72 Ų7291.3 Ų91.344%0.44244%0.443SS..Hα-helixtrans-68.8-47.9176.8-54.30000110.3Q171 M172 L173 R177 R178 T179Q171-T175 WeakPolarHBondContact O-CB 3.05Å; Q171-T175 PolarHBondContact O-N 2.73Å; Q171-T175 PolarHBondContact O-OG1 2.78Å; M172-T175 PolarHBondContact O-N 2.71Å; L173-T175 VanDerWaalsContact C-N 3.33Å; T175-R177 VanDerWaalsContact C-N 3.32Å; T175-R177 PolarHBondContact O-N 3.33Å; T175-R178 PolarHBondContact O-N 3.31Å; T175-T179 PolarHBondContact O-N 2.78Å; T175-T179 PolarHBondContact O-OG1 3.18Å; T175-T179 VanDerWaalsContact O-OG1 3.11Å
176L89.5Confident87.7Confident95 Ų9590.1 Ų90.150%0.49745%0.446SS..Hα-helixtrans-57.4-44.5176177.361000111.7M172 T179 I180M172-L176 WeakPolarHBondContact O-CB 3.21Å; M172-L176 PolarHBondContact O-N 2.69Å; L176-T179 PolarHBondContact O-N 2.74Å; L176-I180 HydrophobicContact CD1-CD1 3.99Å; L176-I180 HydrophobicContact CD1-CG1 4.34Å; L176-I180 HydrophobicContact CG-CD1 3.98Å; L176-I180 WeakPolarHBondContact O-CG1 3.4Å; L176-I180 PolarHBondContact O-N 2.77Å
177R88.4Confident88.3Confident123 Ų12388.5 Ų88.546%0.46443%0.432SS..Hα-helixtrans-61-48.5177-166.5-175.667.9-101.2-2.2111.2L173 D174 T175 T179 I180 D181L173-R177 WeakPolarHBondContact O-CB 3.36Å; L173-R177 PolarHBondContact O-N 2.67Å; D174-R177 IonicContact OD1-CZ 2.83Å; D174-R177 IonicContact OD1-NH1 3.64Å; D174-R177 PolarHBondContact OD1-NH1 2.79Å; D174-R177 IonicContact OD1-NH2 2.74Å; D174-R177 PolarHBondContact OD1-NH2 3.43Å; T175-R177 VanDerWaalsContact C-N 3.32Å; T175-R177 PolarHBondContact O-N 3.33Å; R177-T179 VanDerWaalsContact C-N 3.33Å; R177-T179 PolarHBondContact O-N 2.74Å; R177-I180 CarbonylContact O-C 3.56Å; R177-I180 WeakPolarHBondContact O-CA 3.26Å; R177-I180 WeakPolarHBondContact O-CB 2.82Å; R177-I180 PolarHBondContact O-N 3.4Å; R177-D181 IonicContact NE-OD2 3.76Å; R177-D181 PolarHBondContact O-N 3.16Å
178R90.3Very high88.5Confident133 Ų13386.8 Ų86.850%0.50243%0.431SS..Hα-helixtrans-59.6-40.7176.7-73.2177.9-170.7140.98113D174 T175 I180 D181 E182D174-R178 WeakPolarHBondContact O-CG 3.33Å; D174-R178 PolarHBondContact O-N 2.84Å; D174-R178 VanDerWaalsContact O-N 3.09Å; T175-R178 PolarHBondContact O-N 3.31Å; R178-I180 VanDerWaalsContact C-N 3.3Å; R178-I180 PolarHBondContact O-N 3.2Å; R178-D181 PolarHBondContact O-N 3.46Å; R178-E182 VanDerWaalsContact O-CB 3.31Å; R178-E182 WeakPolarHBondContact O-CB 3.14Å; R178-E182 WeakPolarHBondContact O-CG 3.44Å; R178-E182 PolarHBondContact O-N 2.75Å
179T93.6Very high88.9Confident60 Ų6090.2 Ų90.237%0.36846%0.455SS..Hα-helixtrans-65.3-34175.8-56.30000111.8T175 L176 R177 I183T175-T179 PolarHBondContact O-N 2.78Å; T175-T179 PolarHBondContact O-OG1 3.18Å; T175-T179 VanDerWaalsContact O-OG1 3.11Å; L176-T179 PolarHBondContact O-N 2.74Å; R177-T179 VanDerWaalsContact C-N 3.33Å; R177-T179 PolarHBondContact O-N 2.74Å; T179-I183 HydrophobicContact CG2-CD1 3.96Å; T179-I183 WeakPolarHBondContact O-CB 3.48Å; T179-I183 WeakPolarHBondContact O-CD1 2.97Å; T179-I183 WeakPolarHBondContact O-CG1 3.01Å; T179-I183 PolarHBondContact O-N 3.36Å
180I89.8Confident88.7Confident69 Ų6989.1 Ų89.135%0.35446%0.459SS..Hα-helixtrans-69.5-43.1171.4-67.4165.5000110.9L176 R177 R178 E182 I183 Y184 L203L176-I180 HydrophobicContact CD1-CD1 3.99Å; L176-I180 HydrophobicContact CD1-CG1 4.34Å; L176-I180 HydrophobicContact CG-CD1 3.98Å; L176-I180 WeakPolarHBondContact O-CG1 3.4Å; L176-I180 PolarHBondContact O-N 2.77Å; R177-I180 CarbonylContact O-C 3.56Å; R177-I180 WeakPolarHBondContact O-CA 3.26Å; R177-I180 WeakPolarHBondContact O-CB 2.82Å; R177-I180 PolarHBondContact O-N 3.4Å; R178-I180 VanDerWaalsContact C-N 3.3Å; R178-I180 PolarHBondContact O-N 3.2Å; I180-E182 VanDerWaalsContact C-N 3.31Å; I180-E182 PolarHBondContact O-N 2.7Å; I180-I183 PolarHBondContact O-N 2.97Å; I180-Y184 VanDerWaalsContact O-CB 3.28Å; I180-Y184 WeakPolarHBondContact O-CB 3.19Å; I180-Y184 PolarHBondContact O-N 2.68Å; I180-L203 HydrophobicContact CD1-CD2 4.49Å
181D91.8Very high89Confident85 Ų8596.3 Ų96.346%0.45549%0.485SS..Hα-helixtrans-60.3-40.6175.9-56.8-34.3000110.9R177 R178 S185R177-D181 IonicContact NE-OD2 3.76Å; R177-D181 PolarHBondContact O-N 3.16Å; R178-D181 PolarHBondContact O-N 3.46Å; D181-S185 WeakPolarHBondContact O-CB 3.34Å; D181-S185 PolarHBondContact O-N 3.21Å
182E92.7Very high88.8Confident126 Ų12693.2 Ų93.259%0.58947%0.472SS*.Hα-helixtrans-69.8-43.4176.9-74.2162.7-155.300112.4R178 I180 S185 A186R178-E182 VanDerWaalsContact O-CB 3.31Å; R178-E182 WeakPolarHBondContact O-CB 3.14Å; R178-E182 WeakPolarHBondContact O-CG 3.44Å; R178-E182 PolarHBondContact O-N 2.75Å; I180-E182 VanDerWaalsContact C-N 3.31Å; I180-E182 PolarHBondContact O-N 2.7Å; E182-S185 PolarHBondContact O-N 3.18Å; E182-A186 PolarHBondContact O-N 2.79Å
183I91.7Very high88.8Confident71 Ų7196 Ų9636%0.36448%0.484SS..Hα-helixtrans-64.8-42.6174.4-72.2166000110.7T179 I180 S185 A186 C187 V199T179-I183 HydrophobicContact CG2-CD1 3.96Å; T179-I183 WeakPolarHBondContact O-CB 3.48Å; T179-I183 WeakPolarHBondContact O-CD1 2.97Å; T179-I183 WeakPolarHBondContact O-CG1 3.01Å; T179-I183 PolarHBondContact O-N 3.36Å; I180-I183 PolarHBondContact O-N 2.97Å; I183-S185 VanDerWaalsContact C-N 3.34Å; I183-S185 PolarHBondContact O-N 2.73Å; I183-A186 WeakPolarHBondContact O-CB 3.01Å; I183-A186 PolarHBondContact O-N 2.88Å; I183-C187 PolarHBondContact O-N 2.72Å; I183-C187 PolarHBondContact O-SG 3.28Å; I183-V199 HydrophobicContact CG2-CG1 4.21Å; I183-V199 HydrophobicContact CG2-CG2 3.77Å
184Y91Very high88.7Confident154 Ų15495 Ų9560%0.60448%0.482SS*.Hα-helixtrans-59.3-46.5175.1-176.9-79000110.8I180 A186 C187 E188I180-Y184 VanDerWaalsContact O-CB 3.28Å; I180-Y184 WeakPolarHBondContact O-CB 3.19Å; I180-Y184 PolarHBondContact O-N 2.68Å; Y184-A186 VanDerWaalsContact C-N 3.25Å; Y184-A186 PolarHBondContact O-N 2.74Å; Y184-C187 PolarHBondContact O-N 2.76Å; Y184-E188 HydrophobicContact CE1-CB 4.37Å; Y184-E188 WeakPolarHBondContact O-CB 3.44Å; Y184-E188 PolarHBondContact O-N 3.47Å
185S89.9Confident88.8Confident62 Ų6295.8 Ų95.843%0.43448%0.484SS..Hα-helixtrans-63-29.3177.1-173.80000113.2D181 E182 I183 T189D181-S185 WeakPolarHBondContact O-CB 3.34Å; D181-S185 PolarHBondContact O-N 3.21Å; E182-S185 PolarHBondContact O-N 3.18Å; I183-S185 VanDerWaalsContact C-N 3.34Å; I183-S185 PolarHBondContact O-N 2.73Å; S185-T189 WeakPolarHBondContact O-CB 3.27Å; S185-T189 PolarHBondContact O-N 3.36Å; S185-T189 PolarHBondContact O-OG1 2.78Å
186A89.5Confident88.9Confident45 Ų4594.6 Ų94.637%0.37248%0.478SS..Hα-helixtrans-71.1-51172.400000111.1E182 I183 Y184 E188 T189 D190E182-A186 PolarHBondContact O-N 2.79Å; I183-A186 WeakPolarHBondContact O-CB 3.01Å; I183-A186 PolarHBondContact O-N 2.88Å; Y184-A186 VanDerWaalsContact C-N 3.25Å; Y184-A186 PolarHBondContact O-N 2.74Å; A186-E188 VanDerWaalsContact C-N 3.25Å; A186-E188 PolarHBondContact O-N 3.23Å; A186-T189 WeakPolarHBondContact O-CA 3.24Å; A186-T189 WeakPolarHBondContact O-CB 3.46Å; A186-T189 PolarHBondContact O-N 3.15Å; A186-D190 PolarHBondContact O-N 2.76Å
187C89.7Confident89Confident24 Ų2495.2 Ų95.216%0.16248%0.477CS..Hα-helixtrans-58.9-34.1176-64.50000113.3I183 Y184 T189 E191I183-C187 PolarHBondContact O-N 2.72Å; I183-C187 PolarHBondContact O-SG 3.28Å; Y184-C187 PolarHBondContact O-N 2.76Å; C187-T189 VanDerWaalsContact C-N 3.35Å; C187-E191 PolarHBondContact O-N 3.32Å
188E88.2Confident89.2Confident130 Ų13094.7 Ų94.761%0.60748%0.479SS*.Hα-helixtrans-70.9-27.4173.1-175.7170.5-138.800112.8Y184 A186Y184-E188 HydrophobicContact CE1-CB 4.37Å; Y184-E188 WeakPolarHBondContact O-CB 3.44Å; Y184-E188 PolarHBondContact O-N 3.47Å; A186-E188 VanDerWaalsContact C-N 3.25Å; A186-E188 PolarHBondContact O-N 3.23Å
189T87.3Confident89.3Confident104 Ų10490.6 Ų90.664%0.63847%0.469SS*.Hα-helixtrans-83-35.5177.1-57.90000112.4S185 A186 C187S185-T189 WeakPolarHBondContact O-CB 3.27Å; S185-T189 PolarHBondContact O-N 3.36Å; S185-T189 PolarHBondContact O-OG1 2.78Å; A186-T189 WeakPolarHBondContact O-CA 3.24Å; A186-T189 WeakPolarHBondContact O-CB 3.46Å; A186-T189 PolarHBondContact O-N 3.15Å; C187-T189 VanDerWaalsContact C-N 3.35Å
190D80.6Confident89.2Confident117 Ų11793 Ų9363%0.62648%0.479SS*.Hα-helixtrans-89.5-7.2-176-64.4-31.2000113.4A186 N192A186-D190 PolarHBondContact O-N 2.76Å; D190-N192 PolarHBondContact O-N 2.98Å
191E89.4Confident89.3Confident184 Ų18495.7 Ų95.786%0.8649%0.491SS*.  trans52.817.3179.2-62.6-167.2155.500116.1C187C187-E191 PolarHBondContact O-N 3.32Å
192N78.6Confident89.2Confident70 Ų7096.3 Ų96.337%0.37449%0.494SS..  trans-101.4134.2-170.5-162.45.9000114.3D190 E195 C196D190-N192 PolarHBondContact O-N 2.98Å; N192-E195 WeakPolarHBondContact CB-OE2 3.17Å; N192-E195 PolarHBondContact ND2-OE1 3.23Å; N192-E195 PolarHBondContact ND2-OE2 3.43Å; N192-C196 PolarHBondContact O-SG 2.91Å
193E86.9Confident89.2Confident127 Ų12794.1 Ų94.159%0.59349%0.485SS*.Hα-helixtrans-84.3-17.9-172.9-154.1-155.8160.200113.1K197E193-K197 VanDerWaalsContact CD-CE 3.44Å; E193-K197 WeakPolarHBondContact O-CD 3.18Å; E193-K197 WeakPolarHBondContact O-CG 3.46Å; E193-K197 PolarHBondContact O-N 2.73Å; E193-K197 WeakPolarHBondContact OE1-CE 3.24Å; E193-K197 IonicContact OE1-NZ 2.61Å; E193-K197 PolarHBondContact OE1-NZ 2.75Å; E193-K197 IonicContact OE2-NZ 3.82Å; E193-K197 PolarHBondContact OE2-NZ 3.31Å
194V87.8Confident89.2Confident79 Ų7995.7 Ų95.748%0.47949%0.491SS..Hα-helixtrans-76.2-48.1-172.8-177.10000110.9C196 K197 E198V194-C196 VanDerWaalsContact C-N 3.27Å; V194-C196 PolarHBondContact O-N 2.94Å; V194-K197 WeakPolarHBondContact O-CA 3.23Å; V194-K197 WeakPolarHBondContact O-CB 3.14Å; V194-K197 PolarHBondContact O-N 3.21Å; V194-E198 PolarHBondContact O-N 2.89Å
195E89.4Confident89.1Confident81 Ų8193.9 Ų93.938%0.37949%0.488SS..Hα-helixtrans-62.7-37.8177-62.581.3169.500110N192 K197 E198 V199N192-E195 WeakPolarHBondContact CB-OE2 3.17Å; N192-E195 PolarHBondContact ND2-OE1 3.23Å; N192-E195 PolarHBondContact ND2-OE2 3.43Å; E195-K197 VanDerWaalsContact C-N 3.32Å; E195-K197 PolarHBondContact O-N 2.99Å; E195-E198 PolarHBondContact O-N 3.47Å; E195-V199 WeakPolarHBondContact O-CB 3.31Å; E195-V199 VanDerWaalsContact O-CG2 3.29Å; E195-V199 WeakPolarHBondContact O-CG2 3.39Å; E195-V199 PolarHBondContact O-N 3.45Å
196C90.5Very high89Confident47 Ų4792.7 Ų92.732%0.31848%0.48SS..Hα-helixtrans-56.6-44.1170.3-66.30000111.9N192 V194 I200N192-C196 PolarHBondContact O-SG 2.91Å; V194-C196 VanDerWaalsContact C-N 3.27Å; V194-C196 PolarHBondContact O-N 2.94Å; C196-I200 WeakPolarHBondContact O-CB 3.46Å; C196-I200 WeakPolarHBondContact O-CD1 3.37Å; C196-I200 WeakPolarHBondContact O-CG1 3.39Å; C196-I200 PolarHBondContact O-N 2.73Å
197K92.8Very high89Confident108 Ų10895.1 Ų95.147%0.4748%0.482SS..Hα-helixtrans-68.4-39.7177.8-70.7161.9-177.1163.20112.1E193 V194 E195 I200 M201E193-K197 VanDerWaalsContact CD-CE 3.44Å; E193-K197 WeakPolarHBondContact O-CD 3.18Å; E193-K197 WeakPolarHBondContact O-CG 3.46Å; E193-K197 PolarHBondContact O-N 2.73Å; E193-K197 WeakPolarHBondContact OE1-CE 3.24Å; E193-K197 IonicContact OE1-NZ 2.61Å; E193-K197 PolarHBondContact OE1-NZ 2.75Å; E193-K197 IonicContact OE2-NZ 3.82Å; E193-K197 PolarHBondContact OE2-NZ 3.31Å; V194-K197 WeakPolarHBondContact O-CA 3.23Å; V194-K197 WeakPolarHBondContact O-CB 3.14Å; V194-K197 PolarHBondContact O-N 3.21Å; E195-K197 VanDerWaalsContact C-N 3.32Å; E195-K197 PolarHBondContact O-N 2.99Å; K197-I200 PolarHBondContact O-N 3.13Å; K197-M201 WeakPolarHBondContact O-CB 3.35Å; K197-M201 PolarHBondContact O-N 2.77Å
198E90.9Very high88.9Confident112 Ų11299.3 Ų99.352%0.52350%0.499SS..Hα-helixtrans-64.5-44.2175.4-68.7-167.8172.700112.1V194 E195 I200 M201 I202V194-E198 PolarHBondContact O-N 2.89Å; E195-E198 PolarHBondContact O-N 3.47Å; E198-I200 PolarHBondContact O-N 3.24Å; E198-M201 WeakPolarHBondContact O-CB 3.38Å; E198-M201 PolarHBondContact O-N 2.77Å; E198-I202 VanDerWaalsContact O-CG1 3.31Å; E198-I202 WeakPolarHBondContact O-CG1 3.2Å; E198-I202 PolarHBondContact O-N 3.45Å
199V93Very high88.7Confident47 Ų4794.6 Ų94.629%0.28548%0.478SS..Hα-helixtrans-60.7-43.9175.2170.10000111I183 E195 I202 L203I183-V199 HydrophobicContact CG2-CG1 4.21Å; I183-V199 HydrophobicContact CG2-CG2 3.77Å; E195-V199 WeakPolarHBondContact O-CB 3.31Å; E195-V199 VanDerWaalsContact O-CG2 3.29Å; E195-V199 WeakPolarHBondContact O-CG2 3.39Å; E195-V199 PolarHBondContact O-N 3.45Å; V199-I202 PolarHBondContact O-N 3.25Å; V199-L203 HydrophobicContact CG1-CD1 3.85Å; V199-L203 HydrophobicContact CG1-CG 4.43Å; V199-L203 WeakPolarHBondContact O-CB 3.29Å; V199-L203 VanDerWaalsContact O-CG 3.28Å; V199-L203 WeakPolarHBondContact O-CG 3.35Å; V199-L203 PolarHBondContact O-N 3.4Å
200I92.5Very high88.9Confident112 Ų11295.8 Ų95.857%0.57448%0.475SS*.Hα-helixtrans-60-46.1174.7-71.7164.4000111.1C196 K197 E198 I202 L203 E204C196-I200 WeakPolarHBondContact O-CB 3.46Å; C196-I200 WeakPolarHBondContact O-CD1 3.37Å; C196-I200 WeakPolarHBondContact O-CG1 3.39Å; C196-I200 PolarHBondContact O-N 2.73Å; K197-I200 PolarHBondContact O-N 3.13Å; E198-I200 PolarHBondContact O-N 3.24Å; I200-I202 PolarHBondContact O-N 2.79Å; I200-L203 PolarHBondContact O-N 3.44Å; I200-E204 WeakPolarHBondContact O-CB 3.35Å; I200-E204 PolarHBondContact O-N 2.8Å
201M91.3Very high89.4Confident124 Ų12495.7 Ų95.761%0.61147%0.469SS*.Hα-helixtrans-59.9-44.9178.4-177.6-177.967.100111.9K197 E198 H205K197-M201 WeakPolarHBondContact O-CB 3.35Å; K197-M201 PolarHBondContact O-N 2.77Å; E198-M201 WeakPolarHBondContact O-CB 3.38Å; E198-M201 PolarHBondContact O-N 2.77Å; M201-H205 VanDerWaalsContact O-CB 3.31Å; M201-H205 WeakPolarHBondContact O-CB 2.95Å; M201-H205 PolarHBondContact O-N 3.05Å
202I90Very high89.4Confident98 Ų9889.4 Ų89.450%0.50345%0.445SS..Hα-helixtrans-65.7-40.5179.3-68.3165.4000111.3E198 V199 I200 S206E198-I202 VanDerWaalsContact O-CG1 3.31Å; E198-I202 WeakPolarHBondContact O-CG1 3.2Å; E198-I202 PolarHBondContact O-N 3.45Å; V199-I202 PolarHBondContact O-N 3.25Å; I200-I202 PolarHBondContact O-N 2.79Å; I202-S206 VanDerWaalsContact O-CB 3.27Å; I202-S206 WeakPolarHBondContact O-CB 3.22Å; I202-S206 PolarHBondContact O-N 3.06Å; I202-S206 PolarHBondContact O-OG 3.43Å
203L92.3Very high89.8Confident80 Ų8089.9 Ų89.942%0.41945%0.447SS..Hα-helixtrans-68.9-44.5178.6-72.2172000112.2I180 V199 I200 S206 K207I180-L203 HydrophobicContact CD1-CD2 4.49Å; V199-L203 HydrophobicContact CG1-CD1 3.85Å; V199-L203 HydrophobicContact CG1-CG 4.43Å; V199-L203 WeakPolarHBondContact O-CB 3.29Å; V199-L203 VanDerWaalsContact O-CG 3.28Å; V199-L203 WeakPolarHBondContact O-CG 3.35Å; V199-L203 PolarHBondContact O-N 3.4Å; I200-L203 PolarHBondContact O-N 3.44Å; L203-S206 PolarHBondContact O-N 2.91Å; L203-K207 WeakPolarHBondContact O-CB 3.47Å; L203-K207 PolarHBondContact O-N 3.21Å
204E92.2Very high89.8Confident105 Ų10588.1 Ų88.149%0.49144%0.441SS..Hα-helixtrans-69.2-37.6-179.5-169.764-162.300111.7I200 K207 Q208I200-E204 WeakPolarHBondContact O-CB 3.35Å; I200-E204 PolarHBondContact O-N 2.8Å; E204-K207 WeakPolarHBondContact O-CB 3.32Å; E204-K207 PolarHBondContact O-N 3.27Å; E204-K207 IonicContact OE1-NZ 3.43Å; E204-K207 PolarHBondContact OE1-NZ 3.37Å; E204-K207 WeakPolarHBondContact OE2-CD 3.47Å; E204-K207 IonicContact OE2-NZ 2.7Å; E204-K207 PolarHBondContact OE2-NZ 3.46Å; E204-Q208 PolarHBondContact O-N 3.2Å; E204-Q208 VanDerWaalsContact O-N 3.15Å
205H87.8Confident89.8Confident115 Ų11590.8 Ų90.853%0.53245%0.448SS..Hα-helixtrans-62-49.9169.7-179.152.1000111.4M201 K207 Q208 D209M201-H205 VanDerWaalsContact O-CB 3.31Å; M201-H205 WeakPolarHBondContact O-CB 2.95Å; M201-H205 PolarHBondContact O-N 3.05Å; H205-K207 VanDerWaalsContact C-N 3.25Å; H205-K207 PolarHBondContact O-N 2.92Å; H205-Q208 WeakPolarHBondContact O-CB 3.46Å; H205-Q208 PolarHBondContact O-N 3.11Å; H205-D209 IonicContact CD2-OD2 2.81Å; H205-D209 IonicContact CE1-OD2 2.61Å; H205-D209 PolarHBondContact CE1-OD2 3.36Å; H205-D209 IonicContact CG-OD2 3.74Å; H205-D209 IonicContact ND1-OD2 2.9Å; H205-D209 IonicContact NE2-OD2 3.8Å; H205-D209 PolarHBondContact NE2-OD2 3.37Å; H205-D209 PolarHBondContact O-N 2.88Å; H205-D209 VanDerWaalsContact O-OD2 3.12Å
206S88Confident89.5Confident37 Ų3788.9 Ų88.926%0.25944%0.439SS..Hα-helixtrans-59.5-34.9179.2-61.90000113.2I202 L203 D209 F210I202-S206 VanDerWaalsContact O-CB 3.27Å; I202-S206 WeakPolarHBondContact O-CB 3.22Å; I202-S206 PolarHBondContact O-N 3.06Å; I202-S206 PolarHBondContact O-OG 3.43Å; L203-S206 PolarHBondContact O-N 2.91Å; S206-D209 PolarHBondContact O-N 3.05Å; S206-F210 WeakPolarHBondContact O-CD2 3.03Å; S206-F210 PolarHBondContact O-N 3.12Å; S206-F210 VanDerWaalsContact O-N 3.13Å
207K90.7Very high89.4Confident96 Ų9691.9 Ų91.942%0.41745%0.449SS..Hα-helixtrans-63.3-46.1172.9166.9-161.4180-167.20111.6L203 E204 H205 D209 F210 F211L203-K207 WeakPolarHBondContact O-CB 3.47Å; L203-K207 PolarHBondContact O-N 3.21Å; E204-K207 WeakPolarHBondContact O-CB 3.32Å; E204-K207 PolarHBondContact O-N 3.27Å; E204-K207 IonicContact OE1-NZ 3.43Å; E204-K207 PolarHBondContact OE1-NZ 3.37Å; E204-K207 WeakPolarHBondContact OE2-CD 3.47Å; E204-K207 IonicContact OE2-NZ 2.7Å; E204-K207 PolarHBondContact OE2-NZ 3.46Å; H205-K207 VanDerWaalsContact C-N 3.25Å; H205-K207 PolarHBondContact O-N 2.92Å; K207-D209 VanDerWaalsContact C-N 3.31Å; K207-D209 PolarHBondContact O-N 3.17Å; K207-F210 PolarHBondContact O-N 2.96Å; K207-F211 HydrophobicContact CG-CD2 4.23Å; K207-F211 HydrophobicContact CG-CE2 3.8Å; K207-F211 VanDerWaalsContact O-CD2 3.29Å; K207-F211 WeakPolarHBondContact O-CD2 3.24Å; K207-F211 PolarHBondContact O-N 3.44Å; K207-F211 VanDerWaalsContact O-N 3.13Å
208Q86.8Confident89.2Confident113 Ų11389.6 Ų89.653%0.52844%0.442SS..Hα-helixtrans-60.3-41.9175.6-175.958.727.200111.7E204 H205 F210 F211 S212E204-Q208 PolarHBondContact O-N 3.2Å; E204-Q208 VanDerWaalsContact O-N 3.15Å; H205-Q208 WeakPolarHBondContact O-CB 3.46Å; H205-Q208 PolarHBondContact O-N 3.11Å; Q208-F210 VanDerWaalsContact C-N 3.32Å; Q208-F210 PolarHBondContact O-N 2.86Å; Q208-F211 WeakPolarHBondContact O-CB 3.16Å; Q208-F211 PolarHBondContact O-N 3.09Å; Q208-F211 VanDerWaalsContact O-N 3.11Å; Q208-S212 PolarHBondContact O-N 3.38Å; Q208-S212 PolarHBondContact O-OG 2.76Å
209D84.8Confident88.8Confident31 Ų3187.6 Ų87.617%0.16644%0.435CS..Hα-helixtrans-62.8-34.2175.7-76.4-76000113.9H205 S206 K207 L213 R240H205-D209 IonicContact CD2-OD2 2.81Å; H205-D209 IonicContact CE1-OD2 2.61Å; H205-D209 PolarHBondContact CE1-OD2 3.36Å; H205-D209 IonicContact CG-OD2 3.74Å; H205-D209 IonicContact ND1-OD2 2.9Å; H205-D209 IonicContact NE2-OD2 3.8Å; H205-D209 PolarHBondContact NE2-OD2 3.37Å; H205-D209 PolarHBondContact O-N 2.88Å; H205-D209 VanDerWaalsContact O-OD2 3.12Å; S206-D209 PolarHBondContact O-N 3.05Å; K207-D209 VanDerWaalsContact C-N 3.31Å; K207-D209 PolarHBondContact O-N 3.17Å; D209-L213 WeakPolarHBondContact O-CB 3.18Å; D209-L213 PolarHBondContact O-N 2.98Å; D209-R240 VanDerWaalsContact OD1-CD 3.29Å; D209-R240 WeakPolarHBondContact OD1-CD 3.39Å; D209-R240 IonicContact OD1-CZ 3.78Å; D209-R240 IonicContact OD1-NE 3.48Å; D209-R240 PolarHBondContact OD1-NE 3.45Å; D209-R240 IonicContact OD1-NH2 2.75Å; D209-R240 IonicContact OD2-CZ 3.2Å; D209-R240 VanDerWaalsContact OD2-CZ 3.27Å; D209-R240 IonicContact OD2-NE 2.74Å; D209-R240 PolarHBondContact OD2-NE 2.76Å; D209-R240 IonicContact OD2-NH2 2.76Å; D209-R240 PolarHBondContact OD2-NH2 2.85Å
210F90.2Very high88.3Confident128 Ų12888.6 Ų88.656%0.56144%0.438SS*.Hα-helixtrans-69.8-33.7172.5-78-62.7000112.2S206 K207 Q208 L213 I214S206-F210 WeakPolarHBondContact O-CD2 3.03Å; S206-F210 PolarHBondContact O-N 3.12Å; S206-F210 VanDerWaalsContact O-N 3.13Å; K207-F210 PolarHBondContact O-N 2.96Å; Q208-F210 VanDerWaalsContact C-N 3.32Å; Q208-F210 PolarHBondContact O-N 2.86Å; F210-L213 HydrophobicContact CD1-CD2 4.36Å; F210-L213 PolarHBondContact O-N 3.46Å; F210-I214 WeakPolarHBondContact O-CD1 3.17Å; F210-I214 VanDerWaalsContact O-CG1 3.27Å; F210-I214 WeakPolarHBondContact O-CG1 3.25Å; F210-I214 PolarHBondContact O-N 2.98Å
211F92.2Very high88Confident115 Ų11587.8 Ų87.850%0.50443%0.428SS..Hα-helixtrans-64.2-48.3170.8-74.6-62.2000111.8K207 Q208 L213 I214 E215K207-F211 HydrophobicContact CG-CD2 4.23Å; K207-F211 HydrophobicContact CG-CE2 3.8Å; K207-F211 VanDerWaalsContact O-CD2 3.29Å; K207-F211 WeakPolarHBondContact O-CD2 3.24Å; K207-F211 PolarHBondContact O-N 3.44Å; K207-F211 VanDerWaalsContact O-N 3.13Å; Q208-F211 WeakPolarHBondContact O-CB 3.16Å; Q208-F211 PolarHBondContact O-N 3.09Å; Q208-F211 VanDerWaalsContact O-N 3.11Å; F211-L213 VanDerWaalsContact C-N 3.26Å; F211-L213 PolarHBondContact O-N 3.08Å; F211-I214 WeakPolarHBondContact O-CB 3.27Å; F211-I214 PolarHBondContact O-N 3.27Å; F211-E215 PolarHBondContact O-N 3.02Å
212S87.6Confident87.5Confident52 Ų5286.2 Ų86.236%0.36442%0.422SS..Hα-helixtrans-61.8-32176.1-60.70000112.9Q208 K216Q208-S212 PolarHBondContact O-N 3.38Å; Q208-S212 PolarHBondContact O-OG 2.76Å; S212-K216 WeakPolarHBondContact O-CB 3.31Å; S212-K216 PolarHBondContact O-N 3Å
213L88.1Confident87Confident80 Ų8084.6 Ų84.642%0.41941%0.41SS..Hα-helixtrans-68.2-40.2171.7-17960.4000112.5D209 F210 F211 K216 M217D209-L213 WeakPolarHBondContact O-CB 3.18Å; D209-L213 PolarHBondContact O-N 2.98Å; F210-L213 HydrophobicContact CD1-CD2 4.36Å; F210-L213 PolarHBondContact O-N 3.46Å; F211-L213 VanDerWaalsContact C-N 3.26Å; F211-L213 PolarHBondContact O-N 3.08Å; L213-K216 PolarHBondContact O-N 3.32Å; L213-M217 HydrophobicContact CD1-CG 4.49Å; L213-M217 HydrophobicContact CG-SD 4.3Å; L213-M217 WeakPolarHBondContact O-CB 3.25Å; L213-M217 VanDerWaalsContact O-CG 3.28Å; L213-M217 WeakPolarHBondContact O-CG 3.31Å; L213-M217 PolarHBondContact O-N 2.97Å
214I87.5Confident86.4Confident91 Ų9186.6 Ų86.647%0.46742%0.417SS..Hα-helixtrans-64.9-41.6175.6-70.6162.6000110.6F210 F211 M217 N218F210-I214 WeakPolarHBondContact O-CD1 3.17Å; F210-I214 VanDerWaalsContact O-CG1 3.27Å; F210-I214 WeakPolarHBondContact O-CG1 3.25Å; F210-I214 PolarHBondContact O-N 2.98Å; F211-I214 WeakPolarHBondContact O-CB 3.27Å; F211-I214 PolarHBondContact O-N 3.27Å; I214-M217 CarbonylContact O-C 3.59Å; I214-M217 PolarHBondContact O-N 3.41Å; I214-N218 VanDerWaalsContact O-CG 3.31Å; I214-N218 PolarHBondContact O-N 3.46Å; I214-N218 PolarHBondContact O-ND2 3.46Å
215E86.4Confident85.9Confident134 Ų13488.4 Ų88.463%0.62643%0.426SS*.Hα-helixtrans-58.6-52.3173.9-176.6172.6-149.800111.4F211 M217 N218 L219F211-E215 PolarHBondContact O-N 3.02Å; E215-M217 VanDerWaalsContact C-N 3.27Å; E215-M217 PolarHBondContact O-N 2.87Å; E215-N218 PolarHBondContact O-N 2.99Å; E215-L219 WeakPolarHBondContact O-CB 3.27Å; E215-L219 PolarHBondContact O-N 3.27Å
216K84.7Confident85.3Confident42 Ų4284.1 Ų84.118%0.18341%0.41CS..Hα-helixtrans-54.5-39.8172.6175.4176.9173.4171.20112.7S212 L213 L220 W237 E239S212-K216 WeakPolarHBondContact O-CB 3.31Å; S212-K216 PolarHBondContact O-N 3Å; L213-K216 PolarHBondContact O-N 3.32Å; K216-L220 WeakPolarHBondContact O-CB 3.34Å; K216-L220 PolarHBondContact O-N 3.32Å; K216-W237 HydrophobicContact CD-CB 4.02Å; K216-W237 HydrophobicContact CD-CD2 4.19Å; K216-W237 HydrophobicContact CD-CG 3.67Å; K216-W237 VanDerWaalsContact CE-NE1 3.3Å; K216-W237 HydrophobicContact CG-CB 4.15Å; K216-W237 HydrophobicContact CG-CD2 4.2Å; K216-W237 HydrophobicContact CG-CG 3.99Å; K216-W237 VanDerWaalsContact NZ-NE1 3.12Å; K216-E239 IonicContact NZ-OE1 2.97Å; K216-E239 PolarHBondContact NZ-OE1 2.74Å
217M88Confident84.3Confident109 Ų10987.9 Ų87.954%0.53743%0.428SS..Hα-helixtrans-72.8-22.8177.8-77.1179.661.900114.2L213 I214 E215 R221L213-M217 HydrophobicContact CD1-CG 4.49Å; L213-M217 HydrophobicContact CG-SD 4.3Å; L213-M217 WeakPolarHBondContact O-CB 3.25Å; L213-M217 VanDerWaalsContact O-CG 3.28Å; L213-M217 WeakPolarHBondContact O-CG 3.31Å; L213-M217 PolarHBondContact O-N 2.97Å; I214-M217 CarbonylContact O-C 3.59Å; I214-M217 PolarHBondContact O-N 3.41Å; E215-M217 VanDerWaalsContact C-N 3.27Å; E215-M217 PolarHBondContact O-N 2.87Å; M217-R221 PolarHBondContact O-NH2 2.93Å
218N87.4Confident83.2Confident60 Ų6087.8 Ų87.832%0.32145%0.445SS..Hα-helixtrans-81.4-52.4171.1-67.5-24.9000109.7I214 E215 L220 R221 D222I214-N218 VanDerWaalsContact O-CG 3.31Å; I214-N218 PolarHBondContact O-N 3.46Å; I214-N218 PolarHBondContact O-ND2 3.46Å; E215-N218 PolarHBondContact O-N 2.99Å; N218-L220 VanDerWaalsContact C-N 3.26Å; N218-L220 PolarHBondContact O-N 3.23Å; N218-L220 VanDerWaalsContact O-N 3.16Å; N218-R221 CarbonylContact O-C 3.59Å; N218-R221 WeakPolarHBondContact O-CA 3.07Å; N218-R221 WeakPolarHBondContact O-CB 3.11Å; N218-R221 PolarHBondContact O-N 3.12Å; N218-R221 VanDerWaalsContact OD1-CZ 3.27Å; N218-R221 PolarHBondContact OD1-NH1 3.29Å; N218-R221 PolarHBondContact OD1-NH2 3.04Å; N218-D222 PolarHBondContact O-N 2.87Å
219L82.6Confident82.4Confident70 Ų7091.3 Ų91.337%0.36646%0.461SS..Hα-helixtrans-49.9-43.8177.3-173.771.3000112.8E215 Y223 L235E215-L219 WeakPolarHBondContact O-CB 3.27Å; E215-L219 PolarHBondContact O-N 3.27Å; L219-Y223 VanDerWaalsContact O-CB 3.27Å; L219-Y223 WeakPolarHBondContact O-CB 3.31Å; L219-Y223 PolarHBondContact O-N 3.23Å; L219-L235 HydrophobicContact CD1-CD1 4.04Å; L219-L235 HydrophobicContact CD2-CD1 4.18Å; L219-L235 HydrophobicContact CD2-CD2 4.31Å; L219-L235 HydrophobicContact CD2-CG 4.03Å; L219-L235 HydrophobicContact CG-CD1 3.9Å; L219-L235 HydrophobicContact CG-CD2 3.95Å; L219-L235 HydrophobicContact CG-CG 4.03Å
220L83.5Confident81.6Confident68 Ų6895.9 Ų95.936%0.35649%0.485SS..Hα-helixtrans-67.1-36.5175.9-177.362.8000113K216 N218 Y223 E224 L235K216-L220 WeakPolarHBondContact O-CB 3.34Å; K216-L220 PolarHBondContact O-N 3.32Å; N218-L220 VanDerWaalsContact C-N 3.26Å; N218-L220 PolarHBondContact O-N 3.23Å; N218-L220 VanDerWaalsContact O-N 3.16Å; L220-Y223 PolarHBondContact O-N 3.34Å; L220-E224 WeakPolarHBondContact O-CG 3.16Å; L220-E224 PolarHBondContact O-N 2.87Å; L220-L235 HydrophobicContact CD1-CD2 4.49Å
221R85.1Confident80.8Confident96 Ų9694.3 Ų94.336%0.36248%0.475SS..Hα-helixtrans-71.8-41178.5-166.7-169.1-44.511316.2111.4M217 N218 Y223 E224 Q225M217-R221 PolarHBondContact O-NH2 2.93Å; N218-R221 CarbonylContact O-C 3.59Å; N218-R221 WeakPolarHBondContact O-CA 3.07Å; N218-R221 WeakPolarHBondContact O-CB 3.11Å; N218-R221 PolarHBondContact O-N 3.12Å; N218-R221 VanDerWaalsContact OD1-CZ 3.27Å; N218-R221 PolarHBondContact OD1-NH1 3.29Å; N218-R221 PolarHBondContact OD1-NH2 3.04Å; R221-Y223 VanDerWaalsContact C-N 3.29Å; R221-Y223 PolarHBondContact O-N 2.77Å; R221-E224 CarbonylContact O-C 3.59Å; R221-E224 PolarHBondContact O-N 2.79Å; R221-E224 VanDerWaalsContact O-N 3.11Å; R221-Q225 WeakPolarHBondContact O-CB 3.11Å; R221-Q225 VanDerWaalsContact O-CG 3.32Å; R221-Q225 WeakPolarHBondContact O-CG 3.23Å; R221-Q225 PolarHBondContact O-N 3.49Å
222D81.9Confident79.4Confident90 Ų9092 Ų9248%0.48147%0.472SS..Hα-helixtrans-64.5-39.6175.8-54.8-24.5000109.6N218 E224 Q225 A226N218-D222 PolarHBondContact O-N 2.87Å; D222-E224 PolarHBondContact O-N 3.26Å; D222-Q225 PolarHBondContact O-N 3.36Å; D222-A226 WeakPolarHBondContact O-CB 3.26Å; D222-A226 PolarHBondContact O-N 2.76Å
223Y79.7Confident78.5Confident64 Ų6497.7 Ų97.725%0.25150%0.499SS..Hα-helixtrans-64.5-32.9170.6179.9-95.8000113.8L219 L220 R221 R231 P232 L235L219-Y223 VanDerWaalsContact O-CB 3.27Å; L219-Y223 WeakPolarHBondContact O-CB 3.31Å; L219-Y223 PolarHBondContact O-N 3.23Å; L220-Y223 PolarHBondContact O-N 3.34Å; R221-Y223 VanDerWaalsContact C-N 3.29Å; R221-Y223 PolarHBondContact O-N 2.77Å; Y223-R231 VanDerWaalsContact CD1-NH2 3.28Å; Y223-R231 HydrophobicContact CD2-CG 3.91Å; Y223-R231 VanDerWaalsContact CE1-NE 3.3Å; Y223-R231 HydrophobicContact CE2-CG 3.7Å; Y223-R231 VanDerWaalsContact CZ-NE 3.35Å; Y223-R231 PolarHBondContact O-NE 3.46Å; Y223-R231 PolarHBondContact O-NH2 3.48Å; Y223-P232 WeakPolarHBondContact CE2-O 3.34Å; Y223-L235 HydrophobicContact CD1-CD2 4.26Å; Y223-L235 HydrophobicContact CD2-CB 4.29Å; Y223-L235 HydrophobicContact CD2-CD1 4.05Å; Y223-L235 HydrophobicContact CD2-CD2 4.06Å; Y223-L235 HydrophobicContact CD2-CG 4.38Å; Y223-L235 HydrophobicContact CE2-CB 4.42Å; Y223-L235 HydrophobicContact CG-CD1 4.48Å; Y223-L235 HydrophobicContact CG-CD2 3.72Å
224E79.9Confident77.6Confident123 Ų12398.6 Ų98.658%0.57551%0.512SS*.Hα-helixtrans-76.6-28.6174.2-78177.1172.400113.5L220 R221 D222L220-E224 WeakPolarHBondContact O-CG 3.16Å; L220-E224 PolarHBondContact O-N 2.87Å; R221-E224 CarbonylContact O-C 3.59Å; R221-E224 PolarHBondContact O-N 2.79Å; R221-E224 VanDerWaalsContact O-N 3.11Å; D222-E224 PolarHBondContact O-N 3.26Å
225Q81.1Confident76.6Confident143 Ų14396.6 Ų96.667%0.66850%0.501SS*.Hα-helixtrans-92.9-16.4-179-69.4179.1-0.500113.8R221 D222 D227R221-Q225 WeakPolarHBondContact O-CB 3.11Å; R221-Q225 VanDerWaalsContact O-CG 3.32Å; R221-Q225 WeakPolarHBondContact O-CG 3.23Å; R221-Q225 PolarHBondContact O-N 3.49Å; D222-Q225 PolarHBondContact O-N 3.36Å; Q225-D227 PolarHBondContact O-N 3.28Å
226A75.4Confident75.7Confident25 Ų2594.3 Ų94.321%0.20751%0.505CS..SBendtrans-65.5125.9174.500000111.8D222 R231D222-A226 WeakPolarHBondContact O-CB 3.26Å; D222-A226 PolarHBondContact O-N 2.76Å; A226-R231 HydrophobicContact CB-CB 4.06Å; A226-R231 HydrophobicContact CB-CG 4.38Å
227D67.3Low74.9Confident116 Ų11697.7 Ų97.762%0.6252%0.517SS*.  trans-51.5152.9171.3-69.1-57.8000111.7Q225 H229 N230 R231Q225-D227 PolarHBondContact O-N 3.28Å; D227-H229 PolarHBondContact O-N 2.77Å; D227-N230 PolarHBondContact O-N 3.45Å; D227-R231 PolarHBondContact O-N 2.77Å
228A66.5Low73.8Confident94 Ų94100.1 Ų100.178%0.77753%0.532SS*.THydrogen-bonded Turntrans-56.7-16.4-176.800000115.1
229H70Confident72.8Confident187 Ų187104.2 Ų104.287%0.86655%0.55SS*.THydrogen-bonded Turntrans-95.5-20.6174.9-57-55000114.3D227D227-H229 PolarHBondContact O-N 2.77Å
230N68.2Low71.8Confident126 Ų126107.8 Ų107.867%0.67456%0.558SS**THydrogen-bonded Turntrans-104.7-10.1179.4-79-16.6000113.2D227 P232D227-N230 PolarHBondContact O-N 3.45Å; N230-P232 WeakPolarHBondContact O-CD 3.28Å
231R73.1Confident70.7Confident95 Ų95111.1 Ų111.136%0.35858%0.581SS.*SBendtrans-68.5121.2-179.5-166.1173.7-164.4142.37.6110.9Y223 A226 D227Y223-R231 VanDerWaalsContact CD1-NH2 3.28Å; Y223-R231 HydrophobicContact CD2-CG 3.91Å; Y223-R231 VanDerWaalsContact CE1-NE 3.3Å; Y223-R231 HydrophobicContact CE2-CG 3.7Å; Y223-R231 VanDerWaalsContact CZ-NE 3.35Å; Y223-R231 PolarHBondContact O-NE 3.46Å; Y223-R231 PolarHBondContact O-NH2 3.48Å; A226-R231 HydrophobicContact CB-CB 4.06Å; A226-R231 HydrophobicContact CB-CG 4.38Å; D227-R231 PolarHBondContact O-N 2.77Å
232P63.8Low69.3Low68 Ų68112.4 Ų112.444%0.44259%0.594SS.*  trans-58.6145.9178.6-25.934.7000112.9Y223 N230 S234Y223-P232 WeakPolarHBondContact CE2-O 3.34Å; N230-P232 WeakPolarHBondContact O-CD 3.28Å; P232-S234 PolarHBondContact O-N 2.75Å
233N68.8Low67.8Low171 Ų171115.2 Ų115.291%0.91461%0.608SS**SBendtrans-66.2-21.5-178-77.714.8000114.3
234S68.1Low66Low99 Ų99118.4 Ų118.469%0.69264%0.637SS**  trans-149.9142.3-178.859.40000111.3P232P232-S234 PolarHBondContact O-N 2.75Å
235L66.5Low64.5Low48 Ų48114.2 Ų114.225%0.25163%0.627SS.*  trans-123.6137.5173.1-144.768.2000109.4L219 L220 Y223 W237L219-L235 HydrophobicContact CD1-CD1 4.04Å; L219-L235 HydrophobicContact CD2-CD1 4.18Å; L219-L235 HydrophobicContact CD2-CD2 4.31Å; L219-L235 HydrophobicContact CD2-CG 4.03Å; L219-L235 HydrophobicContact CG-CD1 3.9Å; L219-L235 HydrophobicContact CG-CD2 3.95Å; L219-L235 HydrophobicContact CG-CG 4.03Å; L220-L235 HydrophobicContact CD1-CD2 4.49Å; Y223-L235 HydrophobicContact CD1-CD2 4.26Å; Y223-L235 HydrophobicContact CD2-CB 4.29Å; Y223-L235 HydrophobicContact CD2-CD1 4.05Å; Y223-L235 HydrophobicContact CD2-CD2 4.06Å; Y223-L235 HydrophobicContact CD2-CG 4.38Å; Y223-L235 HydrophobicContact CE2-CB 4.42Å; Y223-L235 HydrophobicContact CG-CD1 4.48Å; Y223-L235 HydrophobicContact CG-CD2 3.72Å; L235-W237 HydrophobicContact CB-CZ3 4.08Å; L235-W237 HydrophobicContact CD2-CE3 4.36Å; L235-W237 HydrophobicContact CD2-CZ3 3.86Å; L235-W237 HydrophobicContact CG-CE3 4.38Å; L235-W237 HydrophobicContact CG-CZ3 4.13Å
236A67.4Low63.1Low86 Ų86113.1 Ų113.171%0.71162%0.62SS**  trans-140152.6-178.300000110.1
237W68.5Low62.3Low113 Ų113114.9 Ų114.943%0.42863%0.63SS.*  trans-162.1159.7-178.652.668.3000108.5K216 L235K216-W237 HydrophobicContact CD-CB 4.02Å; K216-W237 HydrophobicContact CD-CD2 4.19Å; K216-W237 HydrophobicContact CD-CG 3.67Å; K216-W237 VanDerWaalsContact CE-NE1 3.3Å; K216-W237 HydrophobicContact CG-CB 4.15Å; K216-W237 HydrophobicContact CG-CD2 4.2Å; K216-W237 HydrophobicContact CG-CG 3.99Å; K216-W237 VanDerWaalsContact NZ-NE1 3.12Å; L235-W237 HydrophobicContact CB-CZ3 4.08Å; L235-W237 HydrophobicContact CD2-CE3 4.36Å; L235-W237 HydrophobicContact CD2-CZ3 3.86Å; L235-W237 HydrophobicContact CG-CE3 4.38Å; L235-W237 HydrophobicContact CG-CZ3 4.13Å
238D64.2Low61.8Low161 Ų161114.2 Ų114.286%0.86163%0.625SS**  trans-77.6152.5165.9-74.9-52000111.9
239E67.1Low61.4Low146 Ų146111.8 Ų111.868%0.68260%0.598SS**  trans-129.9110.3179.2-174143.7-84.300110.2K216 T241K216-E239 IonicContact NZ-OE1 2.97Å; K216-E239 PolarHBondContact NZ-OE1 2.74Å; E239-T241 PolarHBondContact O-N 2.8Å
240R61.2Low60.8Low144 Ų144106.7 Ų106.754%0.54358%0.582SS.*  trans-55.4127.5-177.6-60-175.788.3-1499.7110.5D209 I242D209-R240 VanDerWaalsContact OD1-CD 3.29Å; D209-R240 WeakPolarHBondContact OD1-CD 3.39Å; D209-R240 IonicContact OD1-CZ 3.78Å; D209-R240 IonicContact OD1-NE 3.48Å; D209-R240 PolarHBondContact OD1-NE 3.45Å; D209-R240 IonicContact OD1-NH2 2.75Å; D209-R240 IonicContact OD2-CZ 3.2Å; D209-R240 VanDerWaalsContact OD2-CZ 3.27Å; D209-R240 IonicContact OD2-NE 2.74Å; D209-R240 PolarHBondContact OD2-NE 2.76Å; D209-R240 IonicContact OD2-NH2 2.76Å; D209-R240 PolarHBondContact OD2-NH2 2.85Å; R240-I242 PolarHBondContact O-N 2.7Å
241T60.2Low60.1Low138 Ų138102.7 Ų102.785%0.84756%0.56SS**  trans-65.495.8172.8460000110.2E239 L243E239-T241 PolarHBondContact O-N 2.8Å; T241-L243 PolarHBondContact O-N 2.95Å
242I56.3Low59.1Low123 Ų12399.6 Ų99.663%0.63155%0.551SS**  trans-59.9122.3179.7-48.2178000109R240 G245R240-I242 PolarHBondContact O-N 2.7Å; I242-G245 WeakPolarHBondContact CG2-O 3.24Å
243L50.8Low58.6Low149 Ų14998.6 Ų98.678%0.7854%0.542SS*.  trans-50.4144.1173.8-72.9173.6000110.6T241 G245T241-L243 PolarHBondContact O-N 2.95Å; L243-G245 VanDerWaalsContact C-N 3.32Å; L243-G245 VanDerWaalsContact O-CA 3.29Å; L243-G245 WeakPolarHBondContact O-CA 3.18Å; L243-G245 PolarHBondContact O-N 3.35Å
244P41.9Very low57.8Low132 Ų13294.3 Ų94.386%0.85753%0.531SS*.SBendtrans-50.784.4-168.4-31.437.4000115.7
245G47.6Very low56.7Low35 Ų3593.8 Ų93.836%0.36153%0.527SS..SBendtrans-178.6106-157.600000109.5I242 L243I242-G245 WeakPolarHBondContact CG2-O 3.24Å; L243-G245 VanDerWaalsContact C-N 3.32Å; L243-G245 VanDerWaalsContact O-CA 3.29Å; L243-G245 WeakPolarHBondContact O-CA 3.18Å; L243-G245 PolarHBondContact O-N 3.35Å
246K52Low55.5Low119 Ų11994.8 Ų94.852%0.51754%0.535SS..  trans-73124.5-180-132171.3-174.8168.50106I248 R1281K246-I248 PolarHBondContact O-N 2.77Å; K246-R1281 HydrophobicContact CB-CG 3.89Å; K246-R1281 VanDerWaalsContact CB-CZ 3.43Å; K246-R1281 WeakPolarHBondContact O-CD 3.36Å; K246-R1281 WeakPolarHBondContact O-CG 3.47Å; K246-R1281 PolarHBondContact O-NE 3.07Å
247P58Low54.1Low63 Ų6393.8 Ų93.841%0.40953%0.533SS..  trans-68.2130.6-16923.4-34.1000113.2M249 C250 R1281P247-M249 PolarHBondContact O-N 2.88Å; P247-C250 PolarHBondContact O-N 3.48Å; P247-R1281 PolarHBondContact O-NE 3.32Å; P247-R1281 VanDerWaalsContact O-NE 3.08Å; P247-R1281 PolarHBondContact O-NH2 3.01Å
248I58.4Low52.5Low101 Ų10194.1 Ų94.152%0.51855%0.547SS..Hα-helixtrans-54.1-46.7-164.6-66.5171.2000113.4Y168 K246 C250 Q251 V252Y168-I248 HydrophobicContact CE2-CG2 4.18Å; K246-I248 PolarHBondContact O-N 2.77Å; I248-C250 VanDerWaalsContact C-N 3.29Å; I248-C250 PolarHBondContact O-N 3.26Å; I248-Q251 WeakPolarHBondContact O-CB 3.28Å; I248-Q251 PolarHBondContact O-N 2.87Å; I248-V252 HydrophobicContact CG2-CG2 3.88Å; I248-V252 PolarHBondContact O-N 3.26Å
249M57.9Low50.8Low43 Ų4392.3 Ų92.321%0.21254%0.542CS..Hα-helixtrans-54.3-39.3-174-123.3-84.9-84.700113.8K165 Y168 P247 Q251 V252 L253K165-M249 HydrophobicContact CG-CE 4.07Å; K165-M249 HydrophobicContact CG-SD 4.32Å; Y168-M249 HydrophobicContact CD1-CG 3.49Å; Y168-M249 VanDerWaalsContact CD1-CG 3.49Å; Y168-M249 HydrophobicContact CD1-SD 4.41Å; Y168-M249 HydrophobicContact CD2-CG 4.48Å; Y168-M249 HydrophobicContact CE1-CB 4Å; Y168-M249 HydrophobicContact CE1-CG 3.18Å; Y168-M249 HydrophobicContact CE2-CG 4.22Å; Y168-M249 HydrophobicContact CG-CG 4.15Å; P247-M249 PolarHBondContact O-N 2.88Å; M249-Q251 PolarHBondContact O-N 3.11Å; M249-V252 PolarHBondContact O-N 2.98Å; M249-L253 HydrophobicContact CE-CD1 3.88Å; M249-L253 HydrophobicContact CE-CG 4.46Å; M249-L253 WeakPolarHBondContact O-CG 3.14Å; M249-L253 PolarHBondContact O-N 3.44Å; M249-L253 HydrophobicContact SD-CD1 3.76Å; M249-L253 HydrophobicContact SD-CD2 3.99Å; M249-L253 HydrophobicContact SD-CG 3.7Å
250C56.6Low48.9Very low80 Ų8091 Ų9154%0.54154%0.544SS..Hα-helixtrans-65.8-24177.3-54.60000113.5P247 I248P247-C250 PolarHBondContact O-N 3.48Å; I248-C250 VanDerWaalsContact C-N 3.29Å; I248-C250 PolarHBondContact O-N 3.26Å
251Q54.4Low47.3Very low43 Ų4390.3 Ų90.320%0.20156%0.561CS.*Hα-helixtrans-81.2-38.3173.2-158.9177.941.400111.3I248 M249 A254 S255 R1281 H1282I248-Q251 WeakPolarHBondContact O-CB 3.28Å; I248-Q251 PolarHBondContact O-N 2.87Å; M249-Q251 PolarHBondContact O-N 3.11Å; Q251-A254 PolarHBondContact O-N 3.43Å; Q251-S255 WeakPolarHBondContact O-CB 3.4Å; Q251-S255 PolarHBondContact O-N 3.26Å; Q251-S255 PolarHBondContact O-OG 3.4Å; Q251-R1281 PolarHBondContact NE2-O 2.93Å; Q251-H1282 VanDerWaalsContact CD-CE1 3.46Å; Q251-H1282 PolarHBondContact NE2-CE1 2.87Å; Q251-H1282 VanDerWaalsContact NE2-CE1 3.27Å; Q251-H1282 PolarHBondContact NE2-NE2 3.04Å
252V51.8Low45.7Very low29 Ų2987.4 Ų87.418%0.17655%0.551CS.*Hα-helixtrans-66.7-46180179.10000111.1Y164 I248 M249 A254 S255 T256Y164-V252 HydrophobicContact CD1-CG1 4.43Å; Y164-V252 HydrophobicContact CE1-CG1 3.48Å; Y164-V252 VanDerWaalsContact CE1-CG1 3.48Å; Y164-V252 WeakPolarHBondContact OH-CG1 3.18Å; I248-V252 HydrophobicContact CG2-CG2 3.88Å; I248-V252 PolarHBondContact O-N 3.26Å; M249-V252 PolarHBondContact O-N 2.98Å; V252-A254 VanDerWaalsContact C-N 3.3Å; V252-A254 PolarHBondContact O-N 3.14Å; V252-S255 CarbonylContact O-C 3.55Å; V252-S255 WeakPolarHBondContact O-CA 3.33Å; V252-S255 WeakPolarHBondContact O-CB 3.49Å; V252-S255 PolarHBondContact O-N 3.36Å; V252-T256 PolarHBondContact O-N 2.77Å; V252-T256 PolarHBondContact O-OG1 3.46Å
253L53Low44.3Very low47 Ų4790.4 Ų90.425%0.24656%0.562CS.*Hα-helixtrans-60.8-39.6177.1-65.6176.7000112.1E161 K165 M249 S255 T256E161-L253 HydrophobicContact CG-CD2 3.99Å; K165-L253 HydrophobicContact CG-CD2 4.48Å; M249-L253 HydrophobicContact CE-CD1 3.88Å; M249-L253 HydrophobicContact CE-CG 4.46Å; M249-L253 WeakPolarHBondContact O-CG 3.14Å; M249-L253 PolarHBondContact O-N 3.44Å; M249-L253 HydrophobicContact SD-CD1 3.76Å; M249-L253 HydrophobicContact SD-CD2 3.99Å; M249-L253 HydrophobicContact SD-CG 3.7Å; L253-S255 PolarHBondContact O-N 2.93Å; L253-T256 WeakPolarHBondContact CA-OG1 3.19Å; L253-T256 PolarHBondContact O-N 3.43Å; L253-T256 PolarHBondContact O-OG1 3.47Å
254A52.9Low43.1Very low82 Ų8292.7 Ų92.768%0.67857%0.569SS**Hα-helixtrans-67.1-20.5172.300000113.5Q251 V252Q251-A254 PolarHBondContact O-N 3.43Å; V252-A254 VanDerWaalsContact C-N 3.3Å; V252-A254 PolarHBondContact O-N 3.14Å
255S43.2Very low42.1Very low87 Ų8791 Ų9161%0.60856%0.561SS**Hα-helixtrans-90-25.1178-54.40000113.1Q251 V252 L253 G257Q251-S255 WeakPolarHBondContact O-CB 3.4Å; Q251-S255 PolarHBondContact O-N 3.26Å; Q251-S255 PolarHBondContact O-OG 3.4Å; V252-S255 CarbonylContact O-C 3.55Å; V252-S255 WeakPolarHBondContact O-CA 3.33Å; V252-S255 WeakPolarHBondContact O-CB 3.49Å; V252-S255 PolarHBondContact O-N 3.36Å; L253-S255 PolarHBondContact O-N 2.93Å; S255-G257 PolarHBondContact O-N 3.25Å
256T42.1Very low41Very low69 Ų6999.4 Ų99.442%0.42358%0.583SS.*SBendtrans-75.1-2.1-178.235.90000115V252 L253 V258V252-T256 PolarHBondContact O-N 2.77Å; V252-T256 PolarHBondContact O-OG1 3.46Å; L253-T256 WeakPolarHBondContact CA-OG1 3.19Å; L253-T256 PolarHBondContact O-N 3.43Å; L253-T256 PolarHBondContact O-OG1 3.47Å; T256-V258 PolarHBondContact O-N 3.29Å
257G37.6Very low39.6Very low65 Ų65101.7 Ų101.767%0.6760%0.6SS**  trans71.6-20162.700000117.6S255 V259S255-G257 PolarHBondContact O-N 3.25Å; G257-V259 VanDerWaalsContact C-N 3.29Å; G257-V259 PolarHBondContact O-N 3.25Å
258V35.2Very low37.9Very low121 Ų121104.1 Ų104.173%0.73362%0.619SS**  trans-83.871.8178.6-169.60000110.5T256T256-V258 PolarHBondContact O-N 3.29Å
259V27.7Very low36.2Very low122 Ų122105.1 Ų105.174%0.73963%0.63SS**  trans-104107.5159.3178.20000107.3G257 S261G257-V259 VanDerWaalsContact C-N 3.29Å; G257-V259 PolarHBondContact O-N 3.25Å; V259-S261 PolarHBondContact O-N 3.17Å
260T29Very low34.8Very low118 Ų118109.1 Ų109.172%0.72466%0.659SS**  trans-64.6132.8171.139.90000109.4A262T260-A262 PolarHBondContact O-N 3.03Å
261S26Very low33.2Very low130 Ų130112.7 Ų112.791%0.90967%0.672SS**THydrogen-bonded Turntrans-79.456-163.858.60000113.9V259V259-S261 PolarHBondContact O-N 3.17Å
262A28.1Very low31.7Very low78 Ų78115.4 Ų115.465%0.64570%0.695SS**THydrogen-bonded Turntrans-117.9-13-172.200000115.2T260T260-A262 PolarHBondContact O-N 3.03Å
263Q27Very low30.5Very low185 Ų185122.4 Ų122.486%0.86473%0.728SS**SBendtrans-136.361.8-177.6-76.6-171.3-41.900113.8
264Q25.4Very low29.3Very low198 Ų198129.8 Ų129.893%0.92576%0.758SS**  trans-156.842.9154.2-118.9163.44000112.8Y266Q264-Y266 VanDerWaalsContact C-N 3.33Å; Q264-Y266 PolarHBondContact O-N 3Å
265S21.2Very low28.2Very low97 Ų97131 Ų13168%0.67876%0.762SS**  trans-90.745.2-177.955.90000113.9
266Y22.9Very low27.2Very low210 Ų210134.9 Ų134.982%0.82478%0.776SS**  trans-136.4139.3170.2-71.3-72.1000111.1Q264Q264-Y266 VanDerWaalsContact C-N 3.33Å; Q264-Y266 PolarHBondContact O-N 3Å
267L22.7Very low26.3Very low167 Ų167137.1 Ų137.187%0.87479%0.794SS**SBendtrans68.470.3175.1-52.4178.9000117.5
268S23.5Very low25.7Very low115 Ų115139.7 Ų139.780%0.80480%0.802SS**  156.9113.4110.9-69.40000113.8
269T22.1Very low25.1Very low122 Ų122140.3 Ų140.375%0.74881%0.806SS**  trans-157.4123.4157.2-55.70000110.5L271T269-L271 HydrophobicContact CG2-CD1 4.2Å; T269-L271 HydrophobicContact CG2-CG 4.05Å
270P27.8Very low25.1Very low127 Ų127141.3 Ų141.383%0.82581%0.806SS**  trans-127.5117.3149.219.20.6000110.5
271L24.8Very low24.9Very low155 Ų155144.2 Ų144.281%0.81281%0.811SS**  trans-112.9111.7177.4-80.5171.7000111.9T269T269-L271 HydrophobicContact CG2-CD1 4.2Å; T269-L271 HydrophobicContact CG2-CG 4.05Å
272S22.7Very low25.2Very low99 Ų99144.6 Ų144.669%0.69281%0.808SS**  35122.1129.8-1150000121.5
273M25.8Very low25.1Very low177 Ų177145.6 Ų145.687%0.87282%0.815SS**  trans70.7127.4144.3-28.3-162.187.300120.5
274K28.8Very low25.3Very low202 Ų202144 Ų14488%0.87881%0.813SS**  trans-144.2125148-89.8-166.4175.2-178.60111.5
275S28.4Very low25.5Very low108 Ų108138.9 Ų138.976%0.75580%0.799SS**  trans45.9108.2150.858.40000120.3
276D21.8Very low25.7Very low167 Ų167141.2 Ų141.289%0.89380%0.804SS**  trans-63.3148.2145.4-45.4-89000111.3
277S25Very low25.9Very low116 Ų116135.9 Ų135.981%0.81180%0.798SS**  trans-179.2101.5140.9-174.10000111.6
278S24.9Very low25.9Very low120 Ų120135.1 Ų135.184%0.83979%0.794SS**  trans-158.6138.3148.5560000108.3
279V21.8Very low25.9Very low134 Ų134138.2 Ų138.281%0.81280%0.8SS**  trans-142.5168.5-170.4-175.20000107.8
280I27.8Very low26Very low143 Ų143135.5 Ų135.573%0.73380%0.797SS**  trans88.183.9176.1-48.5175.5000113.6
281E23.8Very low25.9Very low179 Ų179135.3 Ų135.384%0.83680%0.797SS**  32.3114.4115.2-58.9174166.600118.4
282V32Very low25.7Very low138 Ų138133.2 Ų133.284%0.83680%0.795SS**  -132.1127.9128.2-178.70000106.9
283A27.6Very low26.1Very low98 Ų98138.9 Ų138.981%0.8181%0.807SS**  trans-122.1126.316800000107.4
284D30.1Very low26Very low152 Ų152136.4 Ų136.481%0.81381%0.807SS**  trans-145.8166.5175.1-118.9-37.3000110
285S30.3Very low26Very low91 Ų91130.7 Ų130.764%0.63681%0.806SS**  trans-129.3162.6-142.449.70000116.7
286D24.9Very low26Very low145 Ų145133.1 Ų133.178%0.77581%0.81SS**  trans64.1114.6151.4-61.5-12.3000122.7
287S26.5Very low26.2Very low99 Ų99135.5 Ų135.569%0.69281%0.807SS**  trans49.1126.8134.6660000123
288D23.6Very low26.4Very low151 Ų151137.5 Ų137.581%0.80781%0.808SS**  trans54120.3137.9-61.5-28000121.5
289I23.3Very low26.4Very low179 Ų179140.3 Ų140.392%0.91881%0.808SS**  168.6141.3127.8-88.8154.7000110.3
290G24.7Very low26.7Very low66 Ų66139 Ų13968%0.6880%0.804SS**  trans126.4118.5145.900000119.6
291C25Very low26.5Very low122 Ų122138.9 Ų138.982%0.82481%0.805SS**  trans28.5116.7149.1-70.70000121
292S21.4Very low26.8Very low112 Ų112137.4 Ų137.478%0.78380%0.803SS**  67.3108.673.3-640000116.5
293K31.3Very low26.5Very low218 Ų218138.8 Ų138.895%0.94880%0.797SS**  trans-163.7162148.1-108.6154.5-172.3172.10111.2
294S23.9Very low26.7Very low124 Ų124139.5 Ų139.587%0.86779%0.787SS**  trans-128.4147.1-154560000115.7
295G27.2Very low26.5Very low82 Ų82139.6 Ų139.685%0.84578%0.783SS**  trans135.3137176.700000109.6
296N29.3Very low26.2Very low159 Ų159141.6 Ų141.685%0.8579%0.785SS**  cis-135.7178.122.9-166.17.8000112.1
297R26.2Very low26.3Very low218 Ų218140.8 Ų140.882%0.82378%0.781SS**  trans-78.2145.1-173.3-58.4168.3178.1160.2-2113.8
298N28.6Very low26.1Very low158 Ų158144.2 Ų144.285%0.84579%0.788SS**  -164159.7125.2-102-23000112.2
299H25.6Very low26.2Very low178 Ų178141.8 Ų141.882%0.82479%0.789SS**  trans-75.2162.5179.3-64.2-107.4000111.3
300S27.6Very low26.5Very low106 Ų106141.2 Ų141.274%0.74179%0.786SS**  cis-147.717315.4-152.20000115.2
301L24.6Very low26.7Very low142 Ų142144.3 Ų144.374%0.74379%0.787SS**  trans-68.8165.6174.3-55.5173.2000112
302N28.2Very low26.8Very low148 Ų148144.4 Ų144.479%0.79178%0.779SS**  cis-156.3179.2-6.8-126.6-4.6000112.9
303K26.9Very low27.2Very low166 Ų166144.7 Ų144.772%0.72277%0.772SS**  trans-117.2162.7170.7-174.3-160.9174.2-166.30109.8
304L31.2Very low27Very low113 Ų113142.3 Ų142.359%0.59276%0.762SS**  trans103.1129.9157.6-57.9174.8000118.2
305E25.8Very low27.4Very low155 Ų155143.2 Ų143.272%0.72475%0.752SS**  trans61.4154.5130.9-62167.4171.200120.1
306L24.3Very low27.5Very low132 Ų132146.4 Ų146.469%0.69174%0.744SS**  cis-161159.5-19.7-110.7165.6000109
307N26.2Very low27.6Very low129 Ų129147.2 Ų147.269%0.6974%0.743SS**  trans35.9125.5154.9-65.6-5.1000124
308M23.9Very low27.7Very low171 Ų171144.6 Ų144.684%0.84274%0.739SS**  trans65.597.3130.8-62.4-179.265.500122.8
309A24.7Very low27.7Very low99 Ų99144.7 Ų144.782%0.81873%0.734SS**  46.7108.1117.800000122.6
310I30.3Very low27.8Very low167 Ų167145.1 Ų145.186%0.85674%0.737SS**  trans-144110150-61.7-176.5000105.1
311N28.4Very low27.8Very low131 Ų131144.5 Ų144.570%0.70173%0.733SS**  87112.177.3-155.377.5000115.6
312D27.7Very low27.9Very low124 Ų124144.2 Ų144.266%0.66374%0.741SS**  trans69.2133.6150.3-74.9-18.1000126.6
313N28.9Very low27.9Very low119 Ų119142.3 Ų142.364%0.63674%0.735SS**  trans85.8113.9133.7-86.7-55.2000123.8
314K28.7Very low27.9Very low167 Ų167141.1 Ų141.173%0.72674%0.735SS**  trans67.3142.1145.2-49.6171.4-178.6178.10117.4
315H30.4Very low27.9Very low144 Ų144141.2 Ų141.267%0.66774%0.742SS**  cis-148.9170.826.3-98.2-81.8000112.6
316H29.9Very low28.1Very low148 Ų148139.5 Ų139.569%0.68575%0.747SS**  trans10.3125.6159.8-47.9-66.4000119.2
317H31.8Very low28.4Very low177 Ų177140.3 Ų140.382%0.81976%0.758SS**  -156-178.771.7-109.2-90.1000114.4
318H29Very low28.7Very low162 Ų162142 Ų14275%0.7577%0.767SS**  trans-63.5144-175-69.9-106.9000112.9
319H27.7Very low28.9Very low160 Ų160138.1 Ų138.174%0.74176%0.757SS**  55.7129.980.4-108.1-105.3000112.4
320E26.7Very low28.9Very low187 Ų187141.1 Ų141.187%0.87476%0.756SS**  cis-120.1170.721.6-58.7-171.4111.500115.6
321S28Very low29Very low94 Ų94141 Ų14166%0.65775%0.753SS**  trans-144.9129.8179.659.40000112T323S321-T323 PolarHBondContact O-N 2.89Å
322C26.4Very low29.2Very low135 Ų135140.7 Ų140.791%0.91276%0.756SS**  trans-93.691170.5-161.50000111.4I324C322-I324 PolarHBondContact O-N 3.15Å
323T28.4Very low29.3Very low108 Ų108140.5 Ų140.566%0.66376%0.762SS**  trans-6.6107156.2-560000115.3S321S321-T323 PolarHBondContact O-N 2.89Å
324I27.8Very low29.5Very low141 Ų141141.2 Ų141.272%0.72377%0.766SS**  77.413181-69.7162.1000114.3C322C322-I324 PolarHBondContact O-N 3.15Å
325P32.1Very low29.6Very low115 Ų115140.4 Ų140.475%0.74777%0.766SS**  trans-91.4147.1172.836.2-33.9000113.1
326S28.5Very low29.4Very low119 Ų119138.1 Ų138.183%0.83277%0.765SS**  trans-172.8132.5153.1-86.40000112.9
327T31.9Very low29.4Very low150 Ų150137.4 Ų137.492%0.9277%0.766SS**  trans-145137.5145.644.40000109.9
328N30.8Very low29.2Very low164 Ų164135.4 Ų135.488%0.87776%0.761SS**  trans-160.8159.4174.1-167.69.8000107.9
329S28.5Very low29.3Very low89 Ų89133.4 Ų133.462%0.62276%0.756SS**  trans69.2111.6167.8-155.90000120
330M25.2Very low29.4Very low162 Ų162132 Ų13280%0.79875%0.754SS**  52.2152.2127.3-55.2-171.871.800124.8
331M32.3Very low29.3Very low164 Ų164131.1 Ų131.181%0.80875%0.75SS**  trans94.1131.4148.2-83.8175.816700122.4
332V32Very low30.2Very low126 Ų126131.2 Ų131.276%0.76475%0.749SS**  trans48.1121.3148-173.90000120.7
333P31.3Very low30.4Very low119 Ų119129.5 Ų129.577%0.77374%0.738SS**  trans-101.9150.9154.136.8-29.2000113.3
334N31.2Very low30.5Very low135 Ų135131.4 Ų131.472%0.72274%0.744SS**  trans135.2151.8132.7-160.132.5000115.7
335M31.6Very low30.6Very low150 Ų150128.2 Ų128.274%0.73974%0.738SS**  trans82.4157.9172.9-49.7-77.958.300118
336C26.1Very low31Very low96 Ų96129.3 Ų129.365%0.64974%0.738SS**  trans-142.6157.5-147.952.90000112.2
337N30.4Very low31.2Very low132 Ų132129.9 Ų129.971%0.70673%0.732SS**  175127.9122.7-91-2.1000113.3
338L28.3Very low31.6Very low136 Ų136131.3 Ų131.371%0.71273%0.728SS**  56.1135.1125-64.4169.6000123
339D29.7Very low31.7Very low119 Ų119130.4 Ų130.464%0.63672%0.723SS**  trans93.8112.4134.5-65.6-1.4000123.8
340N29.5Very low32.2Very low132 Ų132132.9 Ų132.971%0.70673%0.729SS**  84120.1126.3-61.3-13.9000123.5
341E26.2Very low32.5Very low167 Ų167132.6 Ų132.678%0.7873%0.731SS**  66.8161.7127.5-63.7-76.2102.800120.4
342P46.2Very low32.5Very low97 Ų97133.4 Ų133.463%0.6373%0.733SS**  -128.9-131.1-56.738.4-20.3000109.1
343S29.6Very low32.5Very low98 Ų98132.6 Ų132.669%0.68573%0.728SS**  trans65.3152171.862.50000116.8
344D30.5Very low32.6Very low149 Ų149135 Ų13580%0.79773%0.729SS**  cis-153133.3-11.8-99.7-11.1000105.5
345A31.2Very low32.9Very low73 Ų73135 Ų13560%0.60373%0.727SS**  87.3151.481.700000115
346N39.2Very low32.9Very low139 Ų139134.2 Ų134.274%0.74373%0.727SS**  trans74.8149.4171.7-30.3-44.2000117.5
347D33.2Very low33.5Very low131 Ų131135.4 Ų135.470%0.70173%0.73SS**  cis-171.7174.9-27.7-92.9-28.1000107.8
348E39.7Very low33.6Very low180 Ų180135 Ų13584%0.84173%0.729SS**  trans68.3142.8163.9-64.4162.6-161.800118.9
349D34.6Very low33.7Very low144 Ų144135.5 Ų135.577%0.7773%0.732SS**  cis-171.5-173-35.7-107.9-31.7000109.6
350D38.4Very low33.8Very low141 Ų141137.2 Ų137.275%0.75474%0.736SS**  trans72.1107.3171.1-55.3-16000117
351D32.1Very low33.9Very low156 Ų156135.8 Ų135.883%0.83474%0.736SS**  75.3135.982.4-73.7-12.6000113.8
352E31.6Very low34.2Very low182 Ų182133.5 Ų133.585%0.8573%0.734SS**  cis-135.6170.19-68.6-179.894.200108.6
353V32.5Very low33.3Very low109 Ų109136 Ų13666%0.66174%0.737SS**  cis-169.8112.9-15139.90000104.3
354E32.9Very low33.3Very low169 Ų169138.6 Ų138.679%0.7974%0.738SS**  95.5159.796.9-156.3178.5-140.900115.1
355I36.5Very low33.1Very low134 Ų134140.2 Ų140.269%0.68774%0.74SS**  trans93.188.2171.2-50.5174.2000116.7
356D33.4Very low33.3Very low135 Ų135141.5 Ų141.572%0.72274%0.742SS**  48.4144.9122.5-34.8-26.5000119.8
357V38.2Very low32.8Very low120 Ų120143.8 Ų143.873%0.72775%0.748SS**  cis-149.7130.334.4166.10000111.5
358D33.1Very low32.3Very low125 Ų125141.4 Ų141.467%0.66874%0.741SS**  trans34.5131.4137-41-21000123.4
359D28.7Very low31.6Very low145 Ų145140.7 Ų140.778%0.77574%0.737SS**  66.9158124.8-69-15.2000122.8
360E32.5Very low31.4Very low155 Ų155142.5 Ų142.572%0.72474%0.741SS**  cis-151.5143.9-3.9-137.1-169.8170.300110.8
361S32.4Very low30.8Very low103 Ų103145 Ų14572%0.7275%0.745SS**  trans62.5177.2143.590.90000118.9
362V30.8Very low30.7Very low119 Ų119147.5 Ų147.572%0.72174%0.743SS**  cis-158.2134.8-39.7130.50000108.2
363E28.3Very low30.5Very low150 Ų150145.1 Ų145.170%0.70173%0.731SS**  trans45123.7150.7-59.1-159.395.300125.4
364H29.3Very low30.4Very low152 Ų152148.5 Ų148.570%0.70474%0.74SS**  62.6106.2123.6-64.2118.9000124
365H26.3Very low30Very low182 Ų182149 Ų14984%0.84375%0.745SS**  76.7168.6127.6-109.9-6.9000118.7
366P36.6Very low29.6Very low100 Ų100147.2 Ų147.265%0.64974%0.744SS**  -126.9159.4-128.140.3-23.5000115.7
367H28.3Very low29.2Very low188 Ų188147.4 Ų147.487%0.8775%0.745SS**  trans-152.4162.2153.1-129-83.5000114.2
368C22.8Very low28.6Very low81 Ų81149.9 Ų149.955%0.54775%0.746SS.*  trans-87.1172.7-175.261.80000114.7
369H24.7Very low28.2Very low164 Ų164148.5 Ų148.576%0.75974%0.742SS**  trans67.8123.2162.6-67.2-46.2000118.6
370H29.6Very low28.1Very low182 Ų182150.6 Ų150.684%0.84374%0.741SS**  -168.5167.187.3-114.3-2.9000114.4
371K26.3Very low28Very low193 Ų193149.2 Ų149.284%0.83974%0.738SS**  trans-88.7142.1165.4-58.4171.2177.8178.20108.7
372R30.1Very low27.9Very low210 Ų210149.8 Ų149.879%0.79274%0.736SS**  179.5137.7124.2-105.5178.7175.9-133.79.4115.2
373Q27.3Very low28.1Very low131 Ų131150.3 Ų150.361%0.61274%0.735SS**  trans45.8121.4133.7-67.9167.4-30.400120.7
374Q30Very low28.3Very low181 Ų181149.6 Ų149.685%0.84674%0.736SS**  16.3121.7121.8-65.5175.6-27.700117.1
375M25.1Very low28.5Very low180 Ų180149.7 Ų149.789%0.88774%0.742SS**  trans-149.2140.9132.8-117.1169.567.600111.6
376S28.6Very low28.8Very low96 Ų96144.5 Ų144.567%0.67173%0.731SS**  trans-69.2147.5173.152.20000112.2
377N25.3Very low28.8Very low139 Ų139147.1 Ų147.174%0.74374%0.739SS**  trans178.2159.6152.8-94.4-12.6000109.7
378F23.5Very low28.8Very low172 Ų172146.6 Ų146.675%0.75473%0.731SS**  cis-165.3150.7-33.3-143.9-123.1000107.3
379T25.3Very low29.2Very low95 Ų95148 Ų14858%0.58374%0.736SS**  trans13.8129.1139.9-38.70000117.5
380Y26.7Very low29.4Very low190 Ų190145.4 Ų145.475%0.74573%0.728SS**  175.2173.874.5-157.6-153.9000113.5
381L31.2Very low29.7Very low126 Ų126147.4 Ų147.466%0.6673%0.728SS**  trans62.9125.5170.3-63.2161.9000116.9
382V29Very low29.9Very low114 Ų114146.9 Ų146.969%0.69173%0.729SS**  cis92.7146.916.4-164.50000114.5
383D35.4Very low30.1Very low130 Ų130145.7 Ų145.770%0.69573%0.732SS**  trans76.5133.4-173.6-42.9-28.4000115.2
384D33.1Very low30.4Very low135 Ų135148.7 Ų148.772%0.72275%0.746SS**  cis-165.5162.3-18.8-108.9-18.6000111.4
385D32.5Very low30.6Very low155 Ų155149 Ų14983%0.82975%0.748SS**  trans58.7153.4159.9-69.3-22.3000122.2
386A33.9Very low30.9Very low73 Ų73144.1 Ų144.160%0.60374%0.743SS**  cis-169.1158.3-24.500000112
387D36.4Very low31.2Very low155 Ų155148 Ų14883%0.82975%0.751SS**  trans59.9152.7156.5-65.8-17000122.9
388Y27.2Very low31.7Very low177 Ų177148.2 Ų148.269%0.69475%0.752SS**  cis-163.8109.3-33.9-172.6-82.9000110.9
389V31.2Very low32.6Very low110 Ų110146.7 Ų146.767%0.66775%0.751SS**  trans37160.3142.4-142.30000123.5
390D30.5Very low33.8Very low109 Ų109146.1 Ų146.158%0.58375%0.748SS**  trans95.273.1151.3-65.6-45.3000121.7
391R34.8Very low34.8Very low224 Ų224143.6 Ų143.685%0.84575%0.747SS**  -166142.5103.7-121.2156.3-63.61687.3116.4
392E30.3Very low36.1Very low183 Ų183141.3 Ų141.386%0.85574%0.741SS**  trans-95.2149.4155.1-56.1174.7153.400108.7
393E35Very low37.9Very low184 Ų184141.2 Ų141.286%0.8673%0.733SS**  trans-160.2148.5153.7-116.6161.9-139.100109.6
394E33.7Very low39.2Very low194 Ų194138.6 Ų138.691%0.90772%0.719SS**  trans-79.5132.6-153.1-58.1165.2116.800115.6
395E33.3Very low41.1Very low189 Ų189136.9 Ų136.988%0.88371%0.709SS**  trans-86.6105.3155.1-78-164.7156.700110.3
396G32.1Very low43.1Very low76 Ų76132.1 Ų132.178%0.78469%0.692SS**  trans-99.171.5175.500000113.1D398G396-D398 PolarHBondContact O-N 3.45Å
397E35.7Very low45.4Very low179 Ų179133.6 Ų133.684%0.83668%0.684SS**  trans-76.8103.8178.1-73.8-145134.700113.7
398D35.5Very low47.3Very low143 Ų143131 Ų13177%0.76567%0.67SS**  trans18.9108.7152.7-78.6-36.9000120G396 T400G396-D398 PolarHBondContact O-N 3.45Å; D398-T400 PolarHBondContact O-N 3.47Å
399N42.1Very low50Low139 Ų139127.7 Ų127.774%0.74366%0.664SS**THydrogen-bonded Turntrans-61.925176.8-71.2-51.2000117L401 S402 H403N399-L401 PolarHBondContact O-N 2.81Å; N399-S402 PolarHBondContact O-N 3.15Å; N399-H403 PolarHBondContact O-N 2.77Å; N399-H403 VanDerWaalsContact O-N 3.11Å
400T50.6Low52.6Low83 Ų83129.4 Ų129.451%0.50966%0.663SS.*Hα-helixtrans-63.9-43-175.6-51.20000112.2D398 S402 H403 D404D398-T400 PolarHBondContact O-N 3.47Å; T400-S402 PolarHBondContact O-N 3.16Å; T400-H403 WeakPolarHBondContact O-CB 3.46Å; T400-H403 PolarHBondContact O-N 3.28Å; T400-D404 PolarHBondContact O-N 3.48Å
401L46.9Very low55.1Low138 Ų138126.2 Ų126.272%0.72365%0.652SS**Hα-helixtrans-66.8-38.4-178.9-156.281.5000112.4N399 H403 D404 L405N399-L401 PolarHBondContact O-N 2.81Å; L401-H403 VanDerWaalsContact C-N 3.33Å; L401-D404 PolarHBondContact O-N 2.93Å; L401-L405 WeakPolarHBondContact O-CB 3.46Å; L401-L405 PolarHBondContact O-N 3.16Å
402S58.2Low57.5Low78 Ų78119.9 Ų119.955%0.54563%0.634SS.*Hα-helixtrans-65.1-37.4174.5-175.60000111.6N399 T400 A406N399-S402 PolarHBondContact O-N 3.15Å; T400-S402 PolarHBondContact O-N 3.16Å; S402-A406 VanDerWaalsContact O-CB 3.28Å; S402-A406 WeakPolarHBondContact O-CB 3.28Å; S402-A406 PolarHBondContact O-N 3.43Å
403H67.6Low60.2Low112 Ų112113.3 Ų113.352%0.51961%0.611SS.*Hα-helixtrans-67.6-38.3174.8178.7-141.3000112.6N399 T400 L401 A406 K407N399-H403 PolarHBondContact O-N 2.77Å; N399-H403 VanDerWaalsContact O-N 3.11Å; T400-H403 WeakPolarHBondContact O-CB 3.46Å; T400-H403 PolarHBondContact O-N 3.28Å; L401-H403 VanDerWaalsContact C-N 3.33Å; H403-A406 PolarHBondContact O-N 3.05Å; H403-K407 WeakPolarHBondContact CE1-CE 3.31Å; H403-K407 WeakPolarHBondContact NE2-CE 3.23Å; H403-K407 WeakPolarHBondContact O-CG 3.42Å; H403-K407 PolarHBondContact O-N 3.47Å
404D63.2Low62.7Low74 Ų74109.3 Ų109.340%0.39660%0.595SS.*Hα-helixtrans-75.7-33.6177.5-76.8-16.9000113.2T400 L401 K407 L408T400-D404 PolarHBondContact O-N 3.48Å; L401-D404 PolarHBondContact O-N 2.93Å; D404-K407 WeakPolarHBondContact O-CB 3.35Å; D404-K407 PolarHBondContact O-N 3.3Å; D404-K407 WeakPolarHBondContact OD1-CD 3.39Å; D404-K407 VanDerWaalsContact OD1-CE 3.26Å; D404-K407 WeakPolarHBondContact OD1-CE 3.35Å; D404-K407 IonicContact OD1-NZ 3.1Å; D404-K407 PolarHBondContact OD1-NZ 3.26Å; D404-L408 PolarHBondContact O-N 2.93Å
405L71.9Confident65.2Low100 Ų100104.8 Ų104.852%0.52458%0.581SS.*Hα-helixtrans-61.5-45.1165.3-79.4165.8000111.2L401 K407 L408 D409L401-L405 WeakPolarHBondContact O-CB 3.46Å; L401-L405 PolarHBondContact O-N 3.16Å; L405-K407 VanDerWaalsContact C-N 3.29Å; L405-K407 PolarHBondContact O-N 3.45Å; L405-L408 WeakPolarHBondContact O-CA 3.17Å; L405-L408 WeakPolarHBondContact O-CB 3.49Å; L405-L408 PolarHBondContact O-N 3.35Å; L405-D409 PolarHBondContact O-N 3.41Å
406A76Confident67.7Low55 Ų5598.7 Ų98.746%0.45556%0.556SS.*Hα-helixtrans-63.9-30.9175.100000113S402 H403 K410S402-A406 VanDerWaalsContact O-CB 3.28Å; S402-A406 WeakPolarHBondContact O-CB 3.28Å; S402-A406 PolarHBondContact O-N 3.43Å; H403-A406 PolarHBondContact O-N 3.05Å; A406-K410 WeakPolarHBondContact O-CB 3.27Å; A406-K410 PolarHBondContact O-N 3.02Å
407K80.3Confident70.3Confident103 Ų10398.7 Ų98.745%0.44854%0.541SS..Hα-helixtrans-67.2-40.5168.6-73174.1-160.3161.20111.7H403 D404 L405 K410 A411H403-K407 WeakPolarHBondContact CE1-CE 3.31Å; H403-K407 WeakPolarHBondContact NE2-CE 3.23Å; H403-K407 WeakPolarHBondContact O-CG 3.42Å; H403-K407 PolarHBondContact O-N 3.47Å; D404-K407 WeakPolarHBondContact O-CB 3.35Å; D404-K407 PolarHBondContact O-N 3.3Å; D404-K407 WeakPolarHBondContact OD1-CD 3.39Å; D404-K407 VanDerWaalsContact OD1-CE 3.26Å; D404-K407 WeakPolarHBondContact OD1-CE 3.35Å; D404-K407 IonicContact OD1-NZ 3.1Å; D404-K407 PolarHBondContact OD1-NZ 3.26Å; L405-K407 VanDerWaalsContact C-N 3.29Å; L405-K407 PolarHBondContact O-N 3.45Å; K407-K410 CarbonylContact O-C 3.5Å; K407-K410 PolarHBondContact O-N 3.43Å; K407-A411 WeakPolarHBondContact O-CB 3.33Å; K407-A411 PolarHBondContact O-N 3.34Å
408L76.5Confident72.7Confident100 Ų10092.4 Ų92.452%0.52452%0.52SS..Hα-helixtrans-67.5-47.3-179.8-174.561.5000111.3D404 L405 K410 A411 I412D404-L408 PolarHBondContact O-N 2.93Å; L405-L408 WeakPolarHBondContact O-CA 3.17Å; L405-L408 WeakPolarHBondContact O-CB 3.49Å; L405-L408 PolarHBondContact O-N 3.35Å; L408-K410 VanDerWaalsContact C-N 3.3Å; L408-K410 PolarHBondContact O-N 2.86Å; L408-A411 CarbonylContact O-C 3.45Å; L408-A411 WeakPolarHBondContact O-CA 3.45Å; L408-A411 WeakPolarHBondContact O-CB 3.3Å; L408-A411 PolarHBondContact O-N 2.91Å; L408-I412 HydrophobicContact CG-CD1 4.2Å; L408-I412 WeakPolarHBondContact O-CG1 3.27Å; L408-I412 PolarHBondContact O-N 3.11Å
409D85.2Confident75.2Confident109 Ų10991.2 Ų91.258%0.58351%0.51SS*.Hα-helixtrans-60.1-40.6172.8-81.2-20.7000111.5L405 A411 I412 A413L405-D409 PolarHBondContact O-N 3.41Å; D409-A411 VanDerWaalsContact C-N 3.31Å; D409-A411 PolarHBondContact O-N 2.81Å; D409-I412 PolarHBondContact O-N 2.95Å; D409-A413 VanDerWaalsContact O-CB 3.24Å; D409-A413 WeakPolarHBondContact O-CB 3.17Å; D409-A413 PolarHBondContact O-N 3.27Å
410K84.7Confident77.4Confident145 Ų14589.9 Ų89.963%0.6350%0.501SS*.Hα-helixtrans-66.8-31.3174.4-169.6171.8-174.1174.50112.4A406 K407 L408 N414A406-K410 WeakPolarHBondContact O-CB 3.27Å; A406-K410 PolarHBondContact O-N 3.02Å; K407-K410 CarbonylContact O-C 3.5Å; K407-K410 PolarHBondContact O-N 3.43Å; L408-K410 VanDerWaalsContact C-N 3.3Å; L408-K410 PolarHBondContact O-N 2.86Å; K410-N414 VanDerWaalsContact O-CB 3.32Å; K410-N414 WeakPolarHBondContact O-CB 3.1Å; K410-N414 PolarHBondContact O-N 3.31Å; K410-N414 PolarHBondContact O-ND2 3.15Å; K410-N414 VanDerWaalsContact O-ND2 3.15Å
411A83.9Confident79.3Confident43 Ų4389.3 Ų89.336%0.35550%0.498SS..Hα-helixtrans-72.2-42.9173.300000111.6K407 L408 D409 N414 V415K407-A411 WeakPolarHBondContact O-CB 3.33Å; K407-A411 PolarHBondContact O-N 3.34Å; L408-A411 CarbonylContact O-C 3.45Å; L408-A411 WeakPolarHBondContact O-CA 3.45Å; L408-A411 WeakPolarHBondContact O-CB 3.3Å; L408-A411 PolarHBondContact O-N 2.91Å; D409-A411 VanDerWaalsContact C-N 3.31Å; D409-A411 PolarHBondContact O-N 2.81Å; A411-N414 WeakPolarHBondContact O-CB 3.37Å; A411-N414 PolarHBondContact O-N 3.49Å; A411-V415 WeakPolarHBondContact O-CG2 3.37Å; A411-V415 PolarHBondContact O-N 3.47Å
412I86Confident81.2Confident90 Ų9088.6 Ų88.646%0.46249%0.494SS..Hα-helixtrans-60.4-47.1172.9-67.5164.9000109.8L408 D409 N414 V415 T416L408-I412 HydrophobicContact CG-CD1 4.2Å; L408-I412 WeakPolarHBondContact O-CG1 3.27Å; L408-I412 PolarHBondContact O-N 3.11Å; D409-I412 PolarHBondContact O-N 2.95Å; I412-N414 VanDerWaalsContact C-N 3.32Å; I412-N414 PolarHBondContact O-N 2.79Å; I412-V415 PolarHBondContact O-N 3.12Å; I412-V415 VanDerWaalsContact O-N 3.11Å; I412-T416 PolarHBondContact O-N 3.49Å; I412-T416 PolarHBondContact O-OG1 3.46Å; I412-T416 VanDerWaalsContact O-OG1 3.09Å
413A85.2Confident82.4Confident46 Ų4688.3 Ų88.338%0.3849%0.489SS..Hα-helixtrans-60.4-38.1174.800000112.6D409 T416 T417D409-A413 VanDerWaalsContact O-CB 3.24Å; D409-A413 WeakPolarHBondContact O-CB 3.17Å; D409-A413 PolarHBondContact O-N 3.27Å; A413-T416 WeakPolarHBondContact CA-OG1 3.45Å; A413-T416 PolarHBondContact O-OG1 3.43Å; A413-T417 WeakPolarHBondContact O-CB 2.74Å; A413-T417 PolarHBondContact O-N 3.31Å; A413-T417 PolarHBondContact O-OG1 2.93Å
414N89Confident83.5Confident100 Ų10087.6 Ų87.654%0.53549%0.486SS..Hα-helixtrans-67.1-38.7173.5-74.8-24.1000112.1K410 A411 I412 T417 A418K410-N414 VanDerWaalsContact O-CB 3.32Å; K410-N414 WeakPolarHBondContact O-CB 3.1Å; K410-N414 PolarHBondContact O-N 3.31Å; K410-N414 PolarHBondContact O-ND2 3.15Å; K410-N414 VanDerWaalsContact O-ND2 3.15Å; A411-N414 WeakPolarHBondContact O-CB 3.37Å; A411-N414 PolarHBondContact O-N 3.49Å; I412-N414 VanDerWaalsContact C-N 3.32Å; I412-N414 PolarHBondContact O-N 2.79Å; N414-T417 PolarHBondContact O-N 3.42Å; N414-A418 WeakPolarHBondContact O-CB 3.41Å; N414-A418 PolarHBondContact O-N 3.42Å
415V85.9Confident84.8Confident99 Ų9989.1 Ų89.160%0.649%0.491SS*.Hα-helixtrans-69.3-47.4177.4170.20000111A411 I412 T417 A418 E419A411-V415 WeakPolarHBondContact O-CG2 3.37Å; A411-V415 PolarHBondContact O-N 3.47Å; I412-V415 PolarHBondContact O-N 3.12Å; I412-V415 VanDerWaalsContact O-N 3.11Å; V415-T417 VanDerWaalsContact C-N 3.28Å; V415-T417 PolarHBondContact O-N 3.16Å; V415-A418 CarbonylContact O-C 3.52Å; V415-A418 WeakPolarHBondContact O-CA 3.31Å; V415-A418 WeakPolarHBondContact O-CB 3.43Å; V415-A418 PolarHBondContact O-N 2.87Å; V415-A418 VanDerWaalsContact O-N 3.08Å; V415-E419 PolarHBondContact O-N 3.35Å
416T85.1Confident85.5Confident60 Ų6089 Ų8937%0.36849%0.49SS..Hα-helixtrans-64.1-34.5173.551.80000111.5I412 A413 E419 I420I412-T416 PolarHBondContact O-N 3.49Å; I412-T416 PolarHBondContact O-OG1 3.46Å; I412-T416 VanDerWaalsContact O-OG1 3.09Å; A413-T416 WeakPolarHBondContact CA-OG1 3.45Å; A413-T416 PolarHBondContact O-OG1 3.43Å; T416-E419 PolarHBondContact O-N 3.23Å; T416-I420 WeakPolarHBondContact O-CB 3.3Å; T416-I420 WeakPolarHBondContact O-CD1 3.37Å; T416-I420 WeakPolarHBondContact O-CG1 3.48Å; T416-I420 PolarHBondContact O-N 2.97Å
417T87.3Confident86.2Confident76 Ų7691.3 Ų91.347%0.46650%0.495SS..Hα-helixtrans-64.4-41171.2-62.60000111.2A413 N414 V415 I420 V421A413-T417 WeakPolarHBondContact O-CB 2.74Å; A413-T417 PolarHBondContact O-N 3.31Å; A413-T417 PolarHBondContact O-OG1 2.93Å; N414-T417 PolarHBondContact O-N 3.42Å; V415-T417 VanDerWaalsContact C-N 3.28Å; V415-T417 PolarHBondContact O-N 3.16Å; T417-I420 PolarHBondContact O-N 3.43Å; T417-V421 HydrophobicContact CG2-CG2 4.48Å; T417-V421 WeakPolarHBondContact O-CB 3.38Å; T417-V421 VanDerWaalsContact O-CG2 3.22Å; T417-V421 WeakPolarHBondContact O-CG2 3.5Å; T417-V421 PolarHBondContact O-N 2.93Å
418A85.2Confident86.4Confident47 Ų4790.9 Ų90.939%0.38849%0.493SS..Hα-helixtrans-66.1-38.4175.900000112.1N414 V415 V421 L422N414-A418 WeakPolarHBondContact O-CB 3.41Å; N414-A418 PolarHBondContact O-N 3.42Å; V415-A418 CarbonylContact O-C 3.52Å; V415-A418 WeakPolarHBondContact O-CA 3.31Å; V415-A418 WeakPolarHBondContact O-CB 3.43Å; V415-A418 PolarHBondContact O-N 2.87Å; V415-A418 VanDerWaalsContact O-N 3.08Å; A418-V421 CarbonylContact O-C 3.41Å; A418-V421 PolarHBondContact O-N 2.87Å; A418-L422 WeakPolarHBondContact O-CB 3.36Å; A418-L422 VanDerWaalsContact O-CG 3.25Å; A418-L422 WeakPolarHBondContact O-CG 3.16Å; A418-L422 PolarHBondContact O-N 3.31Å
419E88.1Confident86.8Confident119 Ų11988.8 Ų88.856%0.55649%0.49SS*.Hα-helixtrans-67.7-43.1175-173.7174.6-154.900112.1V415 T416 V421 L422 T423V415-E419 PolarHBondContact O-N 3.35Å; T416-E419 PolarHBondContact O-N 3.23Å; E419-V421 VanDerWaalsContact C-N 3.3Å; E419-V421 PolarHBondContact O-N 3.17Å; E419-L422 PolarHBondContact O-N 3.2Å; E419-T423 WeakPolarHBondContact O-CB 3.48Å; E419-T423 WeakPolarHBondContact O-CG2 3.39Å; E419-T423 PolarHBondContact O-N 3.37Å; E419-T423 PolarHBondContact O-OG1 2.97Å
420I89.4Confident87Confident110 Ų11088.8 Ų88.856%0.56449%0.486SS*.Hα-helixtrans-62.7-37.9171.7-69.9164.9000110.5T416 T417 T423 H424T416-I420 WeakPolarHBondContact O-CB 3.3Å; T416-I420 WeakPolarHBondContact O-CD1 3.37Å; T416-I420 WeakPolarHBondContact O-CG1 3.48Å; T416-I420 PolarHBondContact O-N 2.97Å; T417-I420 PolarHBondContact O-N 3.43Å; I420-T423 WeakPolarHBondContact CA-OG1 3.31Å; I420-T423 PolarHBondContact O-OG1 2.76Å; I420-T423 VanDerWaalsContact O-OG1 3.13Å; I420-H424 WeakPolarHBondContact O-CB 3.33Å; I420-H424 PolarHBondContact O-N 3.41Å
421V90.3Very high87.1Confident72 Ų7287.1 Ų87.144%0.43648%0.484SS..Hα-helixtrans-67.2-43173.21650000111.2T417 A418 E419 H424 Q425T417-V421 HydrophobicContact CG2-CG2 4.48Å; T417-V421 WeakPolarHBondContact O-CB 3.38Å; T417-V421 VanDerWaalsContact O-CG2 3.22Å; T417-V421 WeakPolarHBondContact O-CG2 3.5Å; T417-V421 PolarHBondContact O-N 2.93Å; A418-V421 CarbonylContact O-C 3.41Å; A418-V421 PolarHBondContact O-N 2.87Å; E419-V421 VanDerWaalsContact C-N 3.3Å; E419-V421 PolarHBondContact O-N 3.17Å; V421-H424 PolarHBondContact O-N 2.73Å; V421-Q425 HydrophobicContact CG1-CG 4.16Å; V421-Q425 VanDerWaalsContact O-CB 3.29Å; V421-Q425 WeakPolarHBondContact O-CB 3.3Å; V421-Q425 WeakPolarHBondContact O-CG 3.32Å; V421-Q425 PolarHBondContact O-N 3.39Å
422L87.3Confident87.1Confident123 Ų12387.3 Ų87.364%0.64449%0.485SS*.Hα-helixtrans-67.8-44.2-179.6-77.2167.7000112.2A418 E419 Q425 L426A418-L422 WeakPolarHBondContact O-CB 3.36Å; A418-L422 VanDerWaalsContact O-CG 3.25Å; A418-L422 WeakPolarHBondContact O-CG 3.16Å; A418-L422 PolarHBondContact O-N 3.31Å; E419-L422 PolarHBondContact O-N 3.2Å; L422-Q425 PolarHBondContact O-N 3.45Å; L422-L426 WeakPolarHBondContact O-CB 3.23Å; L422-L426 PolarHBondContact O-N 2.77Å
423T82.5Confident87Confident71 Ų7187.2 Ų87.244%0.43648%0.483SS..Hα-helixtrans-63.6-43.6173.449.40000111.4E419 I420 Q425 L426 D427E419-T423 WeakPolarHBondContact O-CB 3.48Å; E419-T423 WeakPolarHBondContact O-CG2 3.39Å; E419-T423 PolarHBondContact O-N 3.37Å; E419-T423 PolarHBondContact O-OG1 2.97Å; I420-T423 WeakPolarHBondContact CA-OG1 3.31Å; I420-T423 PolarHBondContact O-OG1 2.76Å; I420-T423 VanDerWaalsContact O-OG1 3.13Å; T423-Q425 VanDerWaalsContact C-N 3.33Å; T423-Q425 PolarHBondContact O-N 3.4Å; T423-L426 WeakPolarHBondContact O-CB 3.18Å; T423-L426 PolarHBondContact O-N 2.76Å; T423-D427 PolarHBondContact O-N 3.12Å
424H89.6Confident86.6Confident98 Ų9886.4 Ų86.445%0.45448%0.476SS..Hα-helixtrans-64.2-32.5172.7-179.8-168.2000113.1I420 V421 K428I420-H424 WeakPolarHBondContact O-CB 3.33Å; I420-H424 PolarHBondContact O-N 3.41Å; V421-H424 PolarHBondContact O-N 2.73Å; H424-K428 PolarHBondContact CE1-NZ 3.08Å; H424-K428 WeakPolarHBondContact NE2-CE 3.25Å; H424-K428 PolarHBondContact NE2-NZ 3.27Å; H424-K428 VanDerWaalsContact NE2-NZ 3.12Å; H424-K428 WeakPolarHBondContact O-CB 2.97Å; H424-K428 WeakPolarHBondContact O-CD 3.18Å; H424-K428 VanDerWaalsContact O-CG 3.27Å; H424-K428 WeakPolarHBondContact O-CG 3.1Å; H424-K428 PolarHBondContact O-N 2.76Å
425Q90.5Very high86.3Confident106 Ų10684.3 Ų84.350%0.49547%0.469SS..Hα-helixtrans-74.5-33.2173.8-69.5-80.567.800111.6V421 L422 T423 K428 A429V421-Q425 HydrophobicContact CG1-CG 4.16Å; V421-Q425 VanDerWaalsContact O-CB 3.29Å; V421-Q425 WeakPolarHBondContact O-CB 3.3Å; V421-Q425 WeakPolarHBondContact O-CG 3.32Å; V421-Q425 PolarHBondContact O-N 3.39Å; L422-Q425 PolarHBondContact O-N 3.45Å; T423-Q425 VanDerWaalsContact C-N 3.33Å; T423-Q425 PolarHBondContact O-N 3.4Å; Q425-K428 PolarHBondContact O-N 3.1Å; Q425-A429 WeakPolarHBondContact O-CB 3.39Å; Q425-A429 PolarHBondContact O-N 2.81Å
426L88.3Confident86.2Confident98 Ų9884 Ų8451%0.51346%0.464SS..Hα-helixtrans-66.5-46.4171.2-176.863.3000111L422 T423 K428 A429 Q430L422-L426 WeakPolarHBondContact O-CB 3.23Å; L422-L426 PolarHBondContact O-N 2.77Å; T423-L426 WeakPolarHBondContact O-CB 3.18Å; T423-L426 PolarHBondContact O-N 2.76Å; L426-K428 VanDerWaalsContact C-N 3.32Å; L426-K428 PolarHBondContact O-N 3.32Å; L426-A429 WeakPolarHBondContact O-CB 3.44Å; L426-A429 PolarHBondContact O-N 3.49Å; L426-A429 VanDerWaalsContact O-N 3.1Å; L426-Q430 WeakPolarHBondContact O-CG 3.42Å; L426-Q430 PolarHBondContact O-N 3.01Å
427D90Very high86.1Confident103 Ų10388.6 Ų88.655%0.55148%0.475SS*.Hα-helixtrans-60-41.2172.8-83.6-9000111.7T423 L431T423-D427 PolarHBondContact O-N 3.12Å; D427-L431 WeakPolarHBondContact O-CB 3.16Å; D427-L431 PolarHBondContact O-N 3.24Å
428K84.8Confident85.8Confident93 Ų9392.3 Ų92.340%0.40448%0.48SS..Hα-helixtrans-63.4-40171.9-82.8165172.7151.20112.3H424 Q425 L426 L431 A432H424-K428 PolarHBondContact CE1-NZ 3.08Å; H424-K428 WeakPolarHBondContact NE2-CE 3.25Å; H424-K428 PolarHBondContact NE2-NZ 3.27Å; H424-K428 VanDerWaalsContact NE2-NZ 3.12Å; H424-K428 WeakPolarHBondContact O-CB 2.97Å; H424-K428 WeakPolarHBondContact O-CD 3.18Å; H424-K428 VanDerWaalsContact O-CG 3.27Å; H424-K428 WeakPolarHBondContact O-CG 3.1Å; H424-K428 PolarHBondContact O-N 2.76Å; Q425-K428 PolarHBondContact O-N 3.1Å; L426-K428 VanDerWaalsContact C-N 3.32Å; L426-K428 PolarHBondContact O-N 3.32Å; K428-L431 PolarHBondContact O-N 2.88Å; K428-A432 WeakPolarHBondContact O-CB 3.31Å; K428-A432 PolarHBondContact O-N 3.28Å
429A83.7Confident85.6Confident56 Ų5697.2 Ų97.246%0.46349%0.488SS..Hα-helixtrans-66.6-46.6177.600000111Q425 L426 A432 E433Q425-A429 WeakPolarHBondContact O-CB 3.39Å; Q425-A429 PolarHBondContact O-N 2.81Å; L426-A429 WeakPolarHBondContact O-CB 3.44Å; L426-A429 PolarHBondContact O-N 3.49Å; L426-A429 VanDerWaalsContact O-N 3.1Å; A429-A432 PolarHBondContact O-N 3Å; A429-E433 WeakPolarHBondContact O-CB 3.42Å; A429-E433 PolarHBondContact O-N 3.05Å
430Q89.4Confident84.9Confident109 Ų10996.6 Ų96.651%0.50949%0.488SS..Hα-helixtrans-64.4-38.7174.5-68.4-174.123.500112L426 E433 A434L426-Q430 WeakPolarHBondContact O-CG 3.42Å; L426-Q430 PolarHBondContact O-N 3.01Å; Q430-E433 PolarHBondContact O-N 2.95Å; Q430-A434 WeakPolarHBondContact O-CB 3.37Å; Q430-A434 PolarHBondContact O-N 3Å
431L87.4Confident84.1Confident111 Ų11195.3 Ų95.358%0.58148%0.482SS*.Hα-helixtrans-69.2-37.4175.2-175.862.6000111.6D427 K428 A434 S435D427-L431 WeakPolarHBondContact O-CB 3.16Å; D427-L431 PolarHBondContact O-N 3.24Å; K428-L431 PolarHBondContact O-N 2.88Å; L431-A434 CarbonylContact O-C 3.56Å; L431-A434 PolarHBondContact O-N 3.4Å; L431-S435 VanDerWaalsContact O-CB 3.32Å; L431-S435 WeakPolarHBondContact O-CB 3.29Å; L431-S435 PolarHBondContact O-N 3.16Å
432A84.1Confident83.1Confident46 Ų4699.6 Ų99.638%0.3849%0.494SS..Hα-helixtrans-66-43.517300000110.9K428 A429 S435 L436K428-A432 WeakPolarHBondContact O-CB 3.31Å; K428-A432 PolarHBondContact O-N 3.28Å; A429-A432 PolarHBondContact O-N 3Å; A432-S435 CarbonylContact O-C 3.58Å; A432-S435 WeakPolarHBondContact O-CA 3.38Å; A432-S435 WeakPolarHBondContact O-CB 3.44Å; A432-S435 PolarHBondContact O-N 3.15Å; A432-S435 VanDerWaalsContact O-N 3.09Å; A432-S435 PolarHBondContact O-OG 3.23Å; A432-L436 WeakPolarHBondContact O-CG 3.48Å; A432-L436 PolarHBondContact O-N 2.79Å
433E83.4Confident82.4Confident88 Ų8898.3 Ų98.341%0.41149%0.485SS..Hα-helixtrans-63.9-45173.9-160.1-153.2145.400111.2A429 Q430 S435 L436 R437A429-E433 WeakPolarHBondContact O-CB 3.42Å; A429-E433 PolarHBondContact O-N 3.05Å; Q430-E433 PolarHBondContact O-N 2.95Å; E433-S435 PolarHBondContact O-N 2.77Å; E433-L436 CarbonylContact O-C 3.57Å; E433-L436 PolarHBondContact O-N 2.9Å; E433-R437 WeakPolarHBondContact O-CB 3.46Å; E433-R437 WeakPolarHBondContact O-CG 3.26Å; E433-R437 PolarHBondContact O-N 3.07Å; E433-R437 IonicContact OE1-CZ 3.21Å; E433-R437 IonicContact OE1-NE 2.82Å; E433-R437 PolarHBondContact OE1-NE 2.87Å; E433-R437 IonicContact OE1-NH2 2.96Å; E433-R437 PolarHBondContact OE1-NH2 3.41Å
434A77.4Confident81.6Confident30 Ų30101.4 Ų101.425%0.24850%0.495CS..Hα-helixtrans-65.7-21.7172.800000112.5Q430 L431 R438Q430-A434 WeakPolarHBondContact O-CB 3.37Å; Q430-A434 PolarHBondContact O-N 3Å; L431-A434 CarbonylContact O-C 3.56Å; L431-A434 PolarHBondContact O-N 3.4Å; A434-R438 VanDerWaalsContact O-CB 3.29Å; A434-R438 WeakPolarHBondContact O-CB 3.2Å; A434-R438 VanDerWaalsContact O-CG 3.29Å; A434-R438 WeakPolarHBondContact O-CG 3.32Å; A434-R438 PolarHBondContact O-N 2.68Å; A434-R438 PolarHBondContact O-NE 2.84Å
435S83Confident79.8Confident55 Ų55103.2 Ų103.239%0.38550%0.501SS..Hα-helixtrans-76.9-41.2168.992.70000111L431 A432 E433 R438 R439L431-S435 VanDerWaalsContact O-CB 3.32Å; L431-S435 WeakPolarHBondContact O-CB 3.29Å; L431-S435 PolarHBondContact O-N 3.16Å; A432-S435 CarbonylContact O-C 3.58Å; A432-S435 WeakPolarHBondContact O-CA 3.38Å; A432-S435 WeakPolarHBondContact O-CB 3.44Å; A432-S435 PolarHBondContact O-N 3.15Å; A432-S435 VanDerWaalsContact O-N 3.09Å; A432-S435 PolarHBondContact O-OG 3.23Å; E433-S435 PolarHBondContact O-N 2.77Å; S435-R438 CarbonylContact O-C 3.58Å; S435-R438 PolarHBondContact O-N 3.02Å; S435-R439 VanDerWaalsContact O-CB 3.27Å; S435-R439 WeakPolarHBondContact O-CB 3.48Å; S435-R439 PolarHBondContact O-N 2.77Å
436L82.5Confident78.3Confident94 Ų9499.7 Ų99.749%0.49249%0.49SS..Hα-helixtrans-67-44.4176.7-73.8168.6000111.4A432 E433 R438 R439 L440A432-L436 WeakPolarHBondContact O-CG 3.48Å; A432-L436 PolarHBondContact O-N 2.79Å; E433-L436 CarbonylContact O-C 3.57Å; E433-L436 PolarHBondContact O-N 2.9Å; L436-R438 VanDerWaalsContact C-N 3.34Å; L436-R438 PolarHBondContact O-N 3.27Å; L436-R439 CarbonylContact O-C 3.58Å; L436-R439 WeakPolarHBondContact O-CA 3.27Å; L436-R439 WeakPolarHBondContact O-CB 3.32Å; L436-R439 PolarHBondContact O-N 3.26Å; L436-R439 VanDerWaalsContact O-N 3.07Å; L436-L440 WeakPolarHBondContact O-CB 3.09Å; L436-L440 PolarHBondContact O-N 3.38Å
437R83.4Confident76.6Confident156 Ų15697.4 Ų97.459%0.58949%0.485SS*.Hα-helixtrans-58.3-44.3170-69.6-179.1-176.9-120.76.4111.1E433 R439 I441E433-R437 WeakPolarHBondContact O-CB 3.46Å; E433-R437 WeakPolarHBondContact O-CG 3.26Å; E433-R437 PolarHBondContact O-N 3.07Å; E433-R437 IonicContact OE1-CZ 3.21Å; E433-R437 IonicContact OE1-NE 2.82Å; E433-R437 PolarHBondContact OE1-NE 2.87Å; E433-R437 IonicContact OE1-NH2 2.96Å; E433-R437 PolarHBondContact OE1-NH2 3.41Å; R437-R439 VanDerWaalsContact C-N 3.31Å; R437-R439 PolarHBondContact O-N 2.92Å; R437-I441 WeakPolarHBondContact O-CB 3.43Å; R437-I441 WeakPolarHBondContact O-CD1 3.01Å; R437-I441 VanDerWaalsContact O-CG1 3.22Å; R437-I441 WeakPolarHBondContact O-CG1 3.21Å; R437-I441 PolarHBondContact O-N 2.84Å
438R81Confident74.3Confident154 Ų15499.7 Ų99.758%0.58149%0.491SS*.Hα-helixtrans-68.6-26.2174-79.5-178.9-85.6-157.6-3.9113.4A434 S435 L436 K442A434-R438 VanDerWaalsContact O-CB 3.29Å; A434-R438 WeakPolarHBondContact O-CB 3.2Å; A434-R438 VanDerWaalsContact O-CG 3.29Å; A434-R438 WeakPolarHBondContact O-CG 3.32Å; A434-R438 PolarHBondContact O-N 2.68Å; A434-R438 PolarHBondContact O-NE 2.84Å; S435-R438 CarbonylContact O-C 3.58Å; S435-R438 PolarHBondContact O-N 3.02Å; L436-R438 VanDerWaalsContact C-N 3.34Å; L436-R438 PolarHBondContact O-N 3.27Å; R438-K442 WeakPolarHBondContact O-CB 3.37Å; R438-K442 PolarHBondContact O-N 2.99Å
439R80.8Confident72.7Confident149 Ų149100.5 Ų100.556%0.56250%0.498SS*.Hα-helixtrans-74.5-48.5174.9-159.6-174.9-146134.81.4110.6S435 L436 R437 I441 K442 E443S435-R439 VanDerWaalsContact O-CB 3.27Å; S435-R439 WeakPolarHBondContact O-CB 3.48Å; S435-R439 PolarHBondContact O-N 2.77Å; L436-R439 CarbonylContact O-C 3.58Å; L436-R439 WeakPolarHBondContact O-CA 3.27Å; L436-R439 WeakPolarHBondContact O-CB 3.32Å; L436-R439 PolarHBondContact O-N 3.26Å; L436-R439 VanDerWaalsContact O-N 3.07Å; R437-R439 VanDerWaalsContact C-N 3.31Å; R437-R439 PolarHBondContact O-N 2.92Å; R439-I441 PolarHBondContact O-N 2.82Å; R439-K442 CarbonylContact O-C 3.51Å; R439-K442 WeakPolarHBondContact O-CA 3.18Å; R439-K442 VanDerWaalsContact O-CB 3.31Å; R439-K442 WeakPolarHBondContact O-CB 3.49Å; R439-K442 PolarHBondContact O-N 3.38Å; R439-E443 WeakPolarHBondContact CG-OE1 3.43Å; R439-E443 IonicContact NE-OE1 3.03Å; R439-E443 WeakPolarHBondContact O-CB 3.41Å; R439-E443 WeakPolarHBondContact O-CG 3.44Å; R439-E443 PolarHBondContact O-N 2.64Å
440L74.4Confident70.8Confident106 Ų106106.8 Ų106.856%0.55551%0.51SS*.Hα-helixtrans-55.5-48.9170.6-80.1163.6000111.4L436 K442 E443 E444L436-L440 WeakPolarHBondContact O-CB 3.09Å; L436-L440 PolarHBondContact O-N 3.38Å; L440-K442 VanDerWaalsContact C-N 3.27Å; L440-K442 PolarHBondContact O-N 2.84Å; L440-E443 CarbonylContact O-C 3.53Å; L440-E443 PolarHBondContact O-N 2.8Å; L440-E444 WeakPolarHBondContact O-CG 3.36Å; L440-E444 PolarHBondContact O-N 3.11Å
441I72.3Confident68.4Low84 Ų84105 Ų10543%0.43151%0.51SS..Hα-helixtrans-62.7-33.7175.1-67.8163.4000111.7R437 R439 K445R437-I441 WeakPolarHBondContact O-CB 3.43Å; R437-I441 WeakPolarHBondContact O-CD1 3.01Å; R437-I441 VanDerWaalsContact O-CG1 3.22Å; R437-I441 WeakPolarHBondContact O-CG1 3.21Å; R437-I441 PolarHBondContact O-N 2.84Å; R439-I441 PolarHBondContact O-N 2.82Å; I441-K445 HydrophobicContact CG2-CD 4.32Å; I441-K445 WeakPolarHBondContact O-CB 3.42Å; I441-K445 VanDerWaalsContact O-CG 3.25Å; I441-K445 WeakPolarHBondContact O-CG 3.33Å; I441-K445 PolarHBondContact O-N 2.97Å; I441-K445 VanDerWaalsContact O-N 3.08Å
442K68.8Low65.9Low161 Ų161104 Ų10470%0.751%0.508SS*.Hα-helixtrans-70.6-33.3171.3-101-175.5173.2179.90112.6R438 R439 L440 A446R438-K442 WeakPolarHBondContact O-CB 3.37Å; R438-K442 PolarHBondContact O-N 2.99Å; R439-K442 CarbonylContact O-C 3.51Å; R439-K442 WeakPolarHBondContact O-CA 3.18Å; R439-K442 VanDerWaalsContact O-CB 3.31Å; R439-K442 WeakPolarHBondContact O-CB 3.49Å; R439-K442 PolarHBondContact O-N 3.38Å; L440-K442 VanDerWaalsContact C-N 3.27Å; L440-K442 PolarHBondContact O-N 2.84Å; K442-A446 WeakPolarHBondContact O-CB 3.1Å; K442-A446 PolarHBondContact O-N 3.15Å
443E72.3Confident63.3Low96 Ų96105.9 Ų105.945%0.44953%0.532SS..Hα-helixtrans-81.3-35-178-78.3167.3-170.700111.7R439 L440 A446 A447R439-E443 WeakPolarHBondContact CG-OE1 3.43Å; R439-E443 IonicContact NE-OE1 3.03Å; R439-E443 WeakPolarHBondContact O-CB 3.41Å; R439-E443 WeakPolarHBondContact O-CG 3.44Å; R439-E443 PolarHBondContact O-N 2.64Å; L440-E443 CarbonylContact O-C 3.53Å; L440-E443 PolarHBondContact O-N 2.8Å; E443-A446 CarbonylContact O-C 3.52Å; E443-A446 PolarHBondContact O-N 3.3Å; E443-A447 WeakPolarHBondContact O-CB 3.35Å; E443-A447 PolarHBondContact O-N 3.42Å
444E65.6Low60.8Low137 Ų137104.6 Ų104.664%0.6454%0.542SS*.Hα-helixtrans-58.7-52.5162.4-74.1-16811900110.5L440 A446 A447 F448L440-E444 WeakPolarHBondContact O-CG 3.36Å; L440-E444 PolarHBondContact O-N 3.11Å; E444-A446 VanDerWaalsContact C-N 3.29Å; E444-A446 PolarHBondContact O-N 3.01Å; E444-A447 PolarHBondContact O-N 3.5Å; E444-F448 VanDerWaalsContact O-CB 3.23Å; E444-F448 WeakPolarHBondContact O-CB 3.39Å; E444-F448 PolarHBondContact O-N 3.14Å
445K53.4Low58.4Low136 Ų136113.9 Ų113.959%0.59157%0.572SS**Hα-helixtrans-61.7-36.3177-75.1177.1179.4-178.30112.2I441 I449I441-K445 HydrophobicContact CG2-CD 4.32Å; I441-K445 WeakPolarHBondContact O-CB 3.42Å; I441-K445 VanDerWaalsContact O-CG 3.25Å; I441-K445 WeakPolarHBondContact O-CG 3.33Å; I441-K445 PolarHBondContact O-N 2.97Å; I441-K445 VanDerWaalsContact O-N 3.08Å; K445-I449 WeakPolarHBondContact O-CB 3.24Å; K445-I449 WeakPolarHBondContact O-CD1 3.01Å; K445-I449 WeakPolarHBondContact O-CG1 3.3Å; K445-I449 PolarHBondContact O-N 2.96Å
446A58.4Low55.7Low31 Ų31117.9 Ų117.926%0.25659%0.589SS.*Hα-helixtrans-78.7-25.1176.900000113.3K442 E443 E444 R450K442-A446 WeakPolarHBondContact O-CB 3.1Å; K442-A446 PolarHBondContact O-N 3.15Å; E443-A446 CarbonylContact O-C 3.52Å; E443-A446 PolarHBondContact O-N 3.3Å; E444-A446 VanDerWaalsContact C-N 3.29Å; E444-A446 PolarHBondContact O-N 3.01Å; A446-R450 WeakPolarHBondContact O-CB 3.28Å; A446-R450 WeakPolarHBondContact O-CG 3.45Å; A446-R450 PolarHBondContact O-N 2.84Å; A446-R450 PolarHBondContact O-NE 3.03Å
447A53.4Low53.1Low50 Ų50121.8 Ų121.841%0.41360%0.602SS.*Hα-helixtrans-75.9-41.3170.900000110.5E443 E444 R450 S451E443-A447 WeakPolarHBondContact O-CB 3.35Å; E443-A447 PolarHBondContact O-N 3.42Å; E444-A447 PolarHBondContact O-N 3.5Å; A447-R450 CarbonylContact O-C 3.5Å; A447-R450 PolarHBondContact O-N 3.4Å; A447-S451 PolarHBondContact O-N 3.36Å
448F40.5Very low50.3Low151 Ų151122.4 Ų122.466%0.66261%0.61SS**Hα-helixtrans-55.3-54.3169.7-175.5-96.8000110.5E444 R450 S451E444-F448 VanDerWaalsContact O-CB 3.23Å; E444-F448 WeakPolarHBondContact O-CB 3.39Å; E444-F448 PolarHBondContact O-N 3.14Å; F448-R450 PolarHBondContact O-N 3.31Å; F448-S451 WeakPolarHBondContact O-CB 3.22Å; F448-S451 PolarHBondContact O-N 3.21Å; F448-S451 VanDerWaalsContact O-N 3.1Å; F448-S451 PolarHBondContact O-OG 3.22Å
449I51Low47.5Very low110 Ų110126 Ų12656%0.56462%0.623SS**Hα-helixtrans-63.1-39.1176.7-69.2165.2000112.1K445 S451 T452K445-I449 WeakPolarHBondContact O-CB 3.24Å; K445-I449 WeakPolarHBondContact O-CD1 3.01Å; K445-I449 WeakPolarHBondContact O-CG1 3.3Å; K445-I449 PolarHBondContact O-N 2.96Å; I449-S451 PolarHBondContact O-N 2.84Å; I449-T452 CarbonylContact O-C 3.56Å; I449-T452 PolarHBondContact O-N 3.15Å; I449-T452 VanDerWaalsContact O-N 3.1Å; I449-T452 PolarHBondContact O-OG1 2.96Å
450R43.9Very low44.8Very low189 Ų189127.4 Ų127.471%0.71363%0.63SS**Hα-helixtrans-70.8-14.3175.7-77.3176.6-75.5-161.44.3113.8A446 A447 F448 T452A446-R450 WeakPolarHBondContact O-CB 3.28Å; A446-R450 WeakPolarHBondContact O-CG 3.45Å; A446-R450 PolarHBondContact O-N 2.84Å; A446-R450 PolarHBondContact O-NE 3.03Å; A447-R450 CarbonylContact O-C 3.5Å; A447-R450 PolarHBondContact O-N 3.4Å; F448-R450 PolarHBondContact O-N 3.31Å; R450-T452 VanDerWaalsContact C-N 3.33Å
451S40.1Very low42.3Very low71 Ų71127.2 Ų127.250%0.49763%0.63SS.*Hα-helixtrans-78.3-17.6169.583.10000113.3A447 F448 I449A447-S451 PolarHBondContact O-N 3.36Å; F448-S451 WeakPolarHBondContact O-CB 3.22Å; F448-S451 PolarHBondContact O-N 3.21Å; F448-S451 VanDerWaalsContact O-N 3.1Å; F448-S451 PolarHBondContact O-OG 3.22Å; I449-S451 PolarHBondContact O-N 2.84Å
452T34Very low40Very low91 Ų91127.2 Ų127.256%0.55864%0.637SS**SBendtrans-108.480.1176.950.20000111.2I449 R450 G454I449-T452 CarbonylContact O-C 3.56Å; I449-T452 PolarHBondContact O-N 3.15Å; I449-T452 VanDerWaalsContact O-N 3.1Å; I449-T452 PolarHBondContact O-OG1 2.96Å; R450-T452 VanDerWaalsContact C-N 3.33Å; T452-G454 PolarHBondContact O-N 3.05Å
453G29.2Very low37.8Very low84 Ų84128.7 Ų128.787%0.86664%0.638SS**  trans-70.8107.1172.900000112
454G30.6Very low35.3Very low61 Ų61130.6 Ų130.663%0.62965%0.651SS**  trans-178.8110.7175.700000115.5T452T452-G454 PolarHBondContact O-N 3.05Å
455Y27.9Very low33.3Very low226 Ų226131.9 Ų131.989%0.88665%0.654SS**  trans71.7143.3161.2-70-90.3000121.4
456N27.1Very low31.9Very low139 Ų139131.9 Ų131.974%0.74366%0.661SS**  trans61.483.1155.5-63.9-8.7000121.5
457K26.9Very low30.5Very low176 Ų176135.6 Ų135.677%0.76568%0.682SS**  28.8134.1104.8-74.8-167.9173.7-174.60119.9
458F24.5Very low29Very low169 Ų169140.9 Ų140.974%0.74170%0.7SS**  trans57.2121.1141.5-68.4-128.1000116.1
459W23.4Very low28.3Very low228 Ų228141.1 Ų141.186%0.86470%0.703SS**  cis-143.6137.147-9065.2000110.5
460Y22.5Very low27.1Very low180 Ų180140.8 Ų140.871%0.70671%0.706SS**  76.7113.273.4-131.2-111.2000114.7
461N23.1Very low26.2Very low102 Ų102138 Ų13855%0.54571%0.705SS.*  trans36.3144.4135.8-64.9-63.8000120.5
462S23.8Very low25.3Very low84 Ų84138.5 Ų138.559%0.58771%0.708SS**  cis-165.9143.422.5-127.10000111.9
463R21.6Very low24.8Very low192 Ų192141.9 Ų141.973%0.72572%0.718SS**  41.9144.1106.8-148-160.2-56.1-145.9-2.5119.2
464L21.4Very low24.5Very low136 Ų136143.2 Ų143.271%0.71271%0.705SS**  trans81.8146.2162.7-50.9-178.2000116.1
465K23.2Very low24.1Very low164 Ų164145.2 Ų145.271%0.71371%0.709SS**  cis-169.8148.2-27.6-123.8-167.8-173.6-178.50109.7
466N22.9Very low23.9Very low136 Ų136141.7 Ų141.773%0.72770%0.701SS**  trans63167.8144.8-75.132.6000119
467P29.7Very low23.7Very low109 Ų109142.8 Ų142.871%0.70870%0.701SS**  trans-108.1-138.8-157.343.9-36.1000112.3
468M21.6Very low23.7Very low161 Ų161140.6 Ų140.679%0.79370%0.697SS**  trans83.5143.2-166.1-50.4-53.8-179.700112.9
469H27Very low23.6Very low156 Ų156140.1 Ų140.172%0.72270%0.702SS**  cis-129.5167.66.5-128.9-81.6000112.3
470T25.3Very low23.7Very low102 Ų102135 Ų13563%0.62670%0.695SS**  trans-26.7160.5155.659.40000115.7
471N23.4Very low23.8Very low130 Ų130131.7 Ų131.770%0.69570%0.698SS**  cis-166.5172.343-148.312.4000114.3
472C21.3Very low23.8Very low83 Ų83130.4 Ų130.456%0.56171%0.709SS**  trans14.8147.6138.3-70.20000120.3
473Q24.2Very low23.9Very low162 Ų162132.3 Ų132.376%0.75772%0.717SS**  cis-165.3159.710.4-120.5157.4-41.400109.8
474N23.4Very low24Very low111 Ų111128.1 Ų128.159%0.59472%0.723SS**  trans46.6124.7162.8-60.529.8000118.3
475S22.3Very low24.2Very low103 Ų103127.9 Ų127.972%0.7273%0.728SS**  cis69.6152.945.5-50.40000113.8
476E24Very low24.3Very low153 Ų153126.4 Ų126.472%0.71573%0.733SS**  trans74.6131.2174.2-64.5145.2-127.800116.4
477E22.7Very low24.3Very low161 Ų161125.4 Ų125.475%0.75273%0.732SS**  cis-164.3174.3-18.7-137.4-167.7134.300112.5
478I26.1Very low23.9Very low130 Ų130125.9 Ų125.967%0.66773%0.733SS**  trans60.290160.5-56.3159.1000116.6V480I478-V480 HydrophobicContact CG2-CG2 4.37Å
479D22Very low24.1Very low160 Ų160124.2 Ų124.286%0.85673%0.731SS**  trans-105.2109.2141.1172.120.8000107.6
480V25.9Very low24.1Very low119 Ų119122.2 Ų122.272%0.72173%0.73SS**  trans-141.995.9171.2-173.90000111.5I478I478-V480 HydrophobicContact CG2-CG2 4.37Å
481C25.4Very low24.1Very low112 Ų112122.7 Ų122.776%0.75773%0.733SS**  trans22.7116133.5-157.80000119.4
482G23.4Very low24.3Very low75 Ų75121.9 Ų121.977%0.77373%0.733SS**  trans-114.780.3167.200000113
483T26.1Very low24.5Very low123 Ų123124.2 Ų124.276%0.75574%0.74SS**  trans26.8115.1159.255.90000119.7
484A22.2Very low24.6Very low104 Ų104124.1 Ų124.186%0.8674%0.74SS**  trans-101.3132.9147.200000109.2
485T26.5Very low24.7Very low132 Ų132123.7 Ų123.781%0.8174%0.741SS**  trans-146137.3170.9-49.30000109.3
486T24.8Very low24.9Very low133 Ų133127.1 Ų127.182%0.81675%0.746SS**  trans-84157.2-167.7-48.70000113
487T22.5Very low25Very low115 Ų115125.2 Ų125.271%0.70674%0.739SS**  trans-60.6142177.43.90000114.8
488T21.7Very low25.1Very low119 Ų119124 Ų12473%0.7374%0.738SS**  trans17.1130.8138.758.10000120.8
489T26.5Very low25.3Very low125 Ų125123.6 Ų123.677%0.76774%0.742SS**  trans-158.9112.2134.9140000107
490T27.1Very low25.6Very low114 Ų114122.5 Ų122.570%0.69974%0.736SS**  62.4137.993.362.50000114.6
491T25.4Very low26.1Very low113 Ų113122.2 Ų122.269%0.69373%0.734SS**  cis-175.5177.1-17.933.20000105.7
492T27.4Very low26.7Very low112 Ų112123.6 Ų123.669%0.68773%0.734SS**  trans60.2133.5148.444.40000117.9
493D25.4Very low27.3Very low133 Ų133126.4 Ų126.471%0.71173%0.73SS**  cis-153.3154.216.3-94.5-33.7000112.9
494E26.1Very low27.7Very low160 Ų160128.7 Ų128.775%0.74874%0.737SS**  trans55.7138.5132.4-60.1-73.195.300124.5
495V24.8Very low28.4Very low102 Ų102130.7 Ų130.762%0.61873%0.733SS**  trans17.5119.7136.3-168.40000119.1I497V495-I497 HydrophobicContact CG1-CD1 4.37Å
496E27.4Very low28.3Very low175 Ų175131.8 Ų131.882%0.81873%0.731SS**  174.9162.2120.7-90.7-152.2144.700107.9
497I25Very low28.5Very low112 Ų112132.2 Ų132.257%0.57473%0.729SS**  cis167.1151.2-31.2-103.6177.2000104.4V495V495-I497 HydrophobicContact CG1-CD1 4.37Å
498D24.4Very low28.7Very low136 Ų136130.7 Ų130.773%0.72772%0.722SS**  trans59157.9162.5-72.3-8.2000123.1
499T31.7Very low29Very low122 Ų122132.9 Ų132.975%0.74873%0.728SS**  trans68.7153.1152.556.10000120.3
500D27.6Very low29.3Very low137 Ų137132.5 Ų132.573%0.73372%0.72SS**  cis169.2155.4-34.8-107.5-41.1000107.3
501V37.1Very low29.2Very low113 Ų113133.6 Ų133.669%0.68572%0.721SS**  trans45.6100.7144.1-179.90000118.6
502D37.2Very low29.7Very low141 Ų141135.8 Ų135.875%0.75473%0.728SS**  169148.6107.5-107.8-24.5000113.9
503L37.2Very low29.6Very low133 Ų133136.3 Ų136.370%0.69673%0.727SS**  trans62148.7165-87.258.5000118
504L33Very low29.7Very low172 Ų172136.5 Ų136.590%0.90173%0.727SS**  cis67.965.910.3-54.9177.2000117.7
505D37.2Very low29.7Very low145 Ų145135.2 Ų135.278%0.77573%0.725SS**  trans-144.3171.9150.2-140.7-28.8000111.4
506M25.2Very low29.8Very low155 Ų155134.6 Ų134.676%0.76473%0.725SS**  trans-69.6165.5-154.9-70.4-71179.100119.5
507D29.3Very low29.6Very low143 Ų143130.9 Ų130.977%0.76572%0.717SS**  trans67.186.7162.4-59.7-17.9000116.2
508S26.5Very low29.7Very low82 Ų82131.8 Ų131.857%0.57372%0.719SS**  cis71.4127.242.3-48.80000114.3
509I28.3Very low29.9Very low165 Ų165132.5 Ų132.585%0.84672%0.716SS**  cis1.7106.1-24.7-61.8175.7000114.2
510I32.5Very low29.9Very low117 Ų117134.6 Ų134.660%0.672%0.721SS**  cis63.583.728.9-62.1168.2000109.9
511L24Very low30.2Very low137 Ų137135.9 Ų135.972%0.71773%0.727SS**  79.897.580.3-77.3166.6000110.9
512D36.5Very low30.2Very low160 Ų160136.1 Ų136.186%0.85673%0.73SS**  trans171.190.9158.6-84.3-19.4000100.9
513D26Very low29.8Very low123 Ų123134.4 Ų134.466%0.65872%0.721SS**  51.9119.655-109.90.2000112
514I26.1Very low29.3Very low137 Ų137137.6 Ų137.670%0.70372%0.724SS**  trans47.4107.7142.2-55.2165.9000114.5
515D27.1Very low29Very low133 Ų133139.2 Ų139.271%0.71172%0.718SS**  -152.3170.463.2-136.6-18.2000116.1
516S25.7Very low28.4Very low88 Ų88140.4 Ų140.462%0.61572%0.716SS**  5.1155.2127.1-57.60000119.5
517C24.4Very low28.5Very low98 Ų98139.5 Ų139.566%0.66271%0.713SS**  cis-153.1156.118.1-137.90000114.3
518E26.7Very low28.4Very low131 Ų131138 Ų13861%0.61271%0.709SS**  trans13.1144134.9-65.4-169.1135.500123.3
519K29.2Very low28.4Very low151 Ų151142.8 Ų142.866%0.65772%0.72SS**  trans68.4157.7142.5-66.1160.8-164159.20114.5
520L31.1Very low28.4Very low165 Ų165140 Ų14086%0.86472%0.715SS**  cis-131.2162.727.5-73.9156.8000113.6
521I33Very low28.3Very low165 Ų165140.6 Ų140.685%0.84672%0.719SS**  trans-99.6169.2172.817.7177.8000110.4
522P37.2Very low28.4Very low117 Ų117140.1 Ų140.176%0.7672%0.718SS**  trans-112.8175.1-140.942.6-37.5000115.4
523D30.6Very low27.9Very low105 Ų105138.6 Ų138.656%0.56171%0.709SS**  trans-142.893.6157.3-155.250.1000114.9R525D523-R525 IonicContact OD2-CZ 2.91Å; D523-R525 IonicContact OD2-NE 2.67Å; D523-R525 IonicContact OD2-NH2 2.6Å; D523-R525 PolarHBondContact OD2-NH2 3.43Å
524R25.5Very low28Very low200 Ų200140.2 Ų140.276%0.75571%0.713SS**  42.9109.4113.9-176.8-159.3-165.3-159.29.7118.8
525R26.8Very low28.1Very low206 Ų206144.3 Ų144.378%0.77772%0.72SS**  trans170.9162.7145.3-96.7151.8-107.1-155.40.4110.1D523D523-R525 IonicContact OD2-CZ 2.91Å; D523-R525 IonicContact OD2-NE 2.67Å; D523-R525 IonicContact OD2-NH2 2.6Å; D523-R525 PolarHBondContact OD2-NH2 3.43Å
526K25.7Very low27.9Very low171 Ų171145.2 Ų145.274%0.74372%0.721SS**  cis-179.6134.1-41.3-122.6-175.3165.6-175.90109.1
527I26Very low28.1Very low136 Ų136149.3 Ų149.370%0.69773%0.728SS**  trans76.4153.3150.8-52.2158.5000118.6
528T27.8Very low28.4Very low111 Ų111150.2 Ų150.268%0.68173%0.731SS**  trans97.8144.7165.473.40000117.8
529K27.1Very low28.3Very low182 Ų182150.5 Ų150.579%0.79174%0.735SS**  cis-167.1154.4-18.2-109.4167.6-173.2171.60110.4
530S27.5Very low28.5Very low108 Ų108151.7 Ų151.776%0.75574%0.742SS**  trans65.2165.2159.576.30000116.9
531N31Very low28.4Very low128 Ų128148.3 Ų148.368%0.68473%0.733SS**  cis-140.9149.26.2-112.3-25.1000108.5
532N25.3Very low28.3Very low127 Ų127146.2 Ų146.268%0.67973%0.73SS**  50.8135.782.6-72.2-46.3000115.2
533N26.7Very low27.6Very low128 Ų128149.1 Ų149.168%0.68474%0.738SS**  cis-169-176.5-8.1-143.9-33.3000111.3
534Q27.1Very low27.5Very low157 Ų157150.9 Ų150.973%0.73475%0.747SS**  trans82.5125.7153.5-122.380.30.300122.7
535R28.2Very low27.5Very low223 Ų223146.4 Ų146.484%0.84275%0.747SS**  107.382123.5-154.4173-174.9161.50.6123.1
536M23.8Very low27.4Very low152 Ų152142.7 Ų142.775%0.74974%0.741SS**  64.6135.7112.4-149.3-159-164.200122.7
537K30Very low27.4Very low175 Ų175142.1 Ų142.176%0.76174%0.741SS**  trans82150.2164.7-55.6-165.3-179.9-177.40116.7
538V29.5Very low27.5Very low117 Ų117142 Ų14271%0.70975%0.75SS**  cis-154149.3-10.8119.80000112.5
539I25.4Very low27.4Very low137 Ų137145.1 Ų145.170%0.70376%0.755SS**  trans-6.2115158.5-47160.7000118.1
540H32.5Very low27.2Very low175 Ų175142 Ų14281%0.8176%0.756SS**  -167.5148110.9-111.6-73.8000114.9
541S30.6Very low27.1Very low95 Ų95144.1 Ų144.166%0.66475%0.754SS**  trans-73.8170-179.154.40000115.8
542P29.6Very low26.9Very low120 Ų120147.6 Ų147.678%0.77976%0.759SS**  cis-134.81241.931.5-9.9000116.1
543L23.1Very low27Very low179 Ų179147 Ų14794%0.93776%0.762SS**  trans-133.2124.8146.1-94.3170000106.6
544N28.2Very low27.1Very low142 Ų142148.6 Ų148.676%0.75977%0.769SS**  trans-163.7154.5176.4-146.4-9.6000112.3
545S25.3Very low27Very low106 Ų106148 Ų14874%0.74177%0.771SS**  trans62.295.9-172-154.10000113.3
546I25.6Very low27.1Very low128 Ų128142.8 Ų142.866%0.65676%0.764SS**  cis71.396.824.7-44.7166.7000114.3
547H24.6Very low27.1Very low159 Ų159142.8 Ų142.874%0.73677%0.767SS**  -164.3109.4123.6-123.2-87.6000111.4
548C28.8Very low27.1Very low133 Ų133138.5 Ų138.590%0.89976%0.759SS**  trans-154.7110.7162.5-92.90000108.3
549F24.8Very low27.1Very low177 Ų177139.4 Ų139.478%0.77676%0.76SS**  trans-88.8148.2167.7-94.5-108.1000109.8
550S22.8Very low27.2Very low116 Ų116142.8 Ų142.881%0.81176%0.764SS**  trans-107119.1161.759.40000108.9
551E25.5Very low27.1Very low153 Ų153141.6 Ų141.672%0.71576%0.762SS**  trans-143.5135167.4-102.7-164.116100112.4
552Y27Very low26.9Very low200 Ų200140.1 Ų140.178%0.78476%0.762SS**  trans50.8129.9164.1-64.6-75.5000122.4
553P28.1Very low27.1Very low116 Ų116139.6 Ų139.675%0.75376%0.761SS**  trans-90.8167.9161.738.7-34.3000111.9
554L27.8Very low27.3Very low160 Ų160137.2 Ų137.284%0.83875%0.75SS**  trans-179112.4140.6-99.8169.1000113.6
555N26Very low27.4Very low145 Ų145140.1 Ų140.178%0.77575%0.75SS**  69.7157.9125.5-147.47000123.7
556V29.2Very low27.7Very low113 Ų113143.6 Ų143.669%0.68575%0.752SS**  trans68.187161.4-1570000121.3
557N25.5Very low28Very low152 Ų152143.2 Ų143.281%0.81376%0.755SS**  44.5138.1107.7-152.84.7000122.7
558S30.2Very low28.5Very low86 Ų86142.2 Ų142.260%0.60175%0.754SS**  trans112.7116.5137.6-138.50000122.8
559N28.6Very low28.7Very low135 Ų135141.8 Ų141.872%0.72274%0.742SS**  trans79.6125.9131.9-87.7-36.6000126.9
560R26.6Very low29.1Very low208 Ų208140.1 Ų140.179%0.78574%0.742SS**  87125.7129.1-83-177.5165.9-158.9-3.7124.9
561I30.3Very low29.6Very low150 Ų150139.3 Ų139.377%0.76974%0.736SS**  trans68.6141.2141.1-57.3163.9000117.3
562G28.4Very low29.9Very low65 Ų65137.3 Ų137.367%0.6774%0.739SS**  cis148.5156-8.600000114.1
563S31.9Very low30.1Very low109 Ų109133.8 Ų133.876%0.76274%0.738SS**  trans107.1119.3158.9-51.50000122.9
564N28.8Very low30.2Very low129 Ų129135.8 Ų135.869%0.6974%0.737SS**  76.9109.8126-76.2-46000126.5
565R28.8Very low30.3Very low203 Ų203136.3 Ų136.377%0.76674%0.735SS**  95.4128.3108.9-86.9177.9171-175.5-1.5126.1
566K32.1Very low30.3Very low178 Ų178135.1 Ų135.177%0.77474%0.737SS**  trans74.8158.8142.7-64-175.3172.8-167.10120.8
567V33.1Very low30.4Very low120 Ų120138.3 Ų138.373%0.72774%0.744SS**  cis-174.5163.3-40.2159.30000107.8
568I33.9Very low30.5Very low138 Ų138136.6 Ų136.671%0.70874%0.743SS**  trans126.499.3153.4-59.4-67.9000116.8
569D32.9Very low30.5Very low124 Ų124137.5 Ų137.566%0.66375%0.748SS**  58140.8126.9-50.1-6.3000128.6
570N33.2Very low30.5Very low142 Ų142135.8 Ų135.876%0.75975%0.746SS**  trans90.591.3137.5-72-14.2000126
571S33.5Very low30.7Very low99 Ų99131.7 Ų131.769%0.69275%0.748SS**  71.1116.1114.570.20000125.4
572S32Very low31Very low112 Ų112136.5 Ų136.578%0.78376%0.757SS**  101.7150.9123.8770000123.6
573V31.2Very low31Very low125 Ų125138.4 Ų138.476%0.75876%0.759SS**  trans85.296.5162.6-167.20000121.1
574E29.6Very low31Very low159 Ų159141.4 Ų141.474%0.74376%0.76SS**  trans49.3137.4131.5-62.1-166.7-150.400127.6
575H29.6Very low30.8Very low170 Ų170144.7 Ų144.779%0.78776%0.763SS**  trans90.5140.6133.1-97.5107.5000124.9
576C26.7Very low30.9Very low121 Ų121142.1 Ų142.182%0.81876%0.759SS**  trans98145.6156.1-149.40000120.3
577H31.6Very low30.6Very low179 Ų179140.3 Ų140.383%0.82976%0.758SS**  trans-83.8161.3178-70.40.5000112.8
578C27.6Very low30.4Very low117 Ų117145.3 Ų145.379%0.79177%0.765SS**  141.5144.2101.9-150.50000116.3
579C29.5Very low30Very low105 Ų105144.3 Ų144.371%0.70977%0.766SS**  trans80125.2143.1-135.60000123
580S29.5Very low29.6Very low99 Ų99148 Ų14869%0.69278%0.777SS**  trans82.7158.4136.8-790000123.9
581C30.2Very low29.2Very low122 Ų122148 Ų14882%0.82478%0.776SS**  trans62.2145161.349.70000121.1
582R36.3Very low28.8Very low250 Ų250151.6 Ų151.694%0.94378%0.783SS**  trans-143.183.6-172.2-178.5-169.8179-157.71.3109.5
583C29.5Very low28.5Very low106 Ų106151 Ų15172%0.71678%0.778SS**  trans-139.9137.9-170.3-63.50000113.4
584H31.6Very low28.4Very low171 Ų171150.4 Ų150.479%0.79278%0.78SS**  trans51.1103.9153.3-67.7-61.7000122.7
585R25.3Very low28.3Very low199 Ų199147.8 Ų147.875%0.75178%0.779SS**  60.813298.4-178178.2-178.61684.1120.4
586H30.6Very low28.1Very low148 Ų148144.5 Ų144.569%0.68578%0.775SS**  trans101.4136.9154-84.5-32.6000120.3
587N25.2Very low28.1Very low140 Ų140145.2 Ų145.275%0.74978%0.776SS**  trans-55.9149.4-179.2-46.8-23.7000114.8
588Y29.1Very low27.8Very low225 Ų225142.7 Ų142.788%0.88277%0.768SS**  -160.8166109.5-119.4-82.4000111.5
589T24.7Very low27.8Very low118 Ų118145.8 Ų145.872%0.72477%0.769SS**  trans-102.5132.5-173.6410000113.6
590F25.4Very low27.5Very low202 Ų202148.5 Ų148.589%0.88677%0.771SS**  trans-160.9161.6142.1-138.5-103000112.8
591N24.6Very low27.4Very low140 Ų140149 Ų14975%0.74977%0.773SS**  trans-99.7140.9179.5-72.7-51.1000112
592Q25.2Very low27.2Very low176 Ų176153.3 Ų153.382%0.82277%0.774SS**  177.5131.9118.3-98.4174.858.700115.4
593S25.9Very low26.8Very low99 Ų99150.3 Ų150.369%0.69277%0.77SS**  trans53.5135.8144.460.60000124.7
594S28.3Very low26.7Very low113 Ų113151.5 Ų151.579%0.7977%0.768SS**  trans73.6149.715273.10000119.6
595S27.3Very low26.4Very low103 Ų103149.9 Ų149.972%0.7277%0.766SS**  cis-167.2153.6-27.2500000112.4
596S26.3Very low26.4Very low102 Ų102148 Ų14871%0.71377%0.77SS**  trans53.4105.7154.861.70000121.8
597T26.6Very low26.1Very low135 Ų135148.5 Ų148.583%0.82877%0.773SS**  165.711312040.90000108.1
598N25Very low26Very low126 Ų126146.1 Ų146.167%0.67477%0.767SS**  74.790.276.4-169.935.4000114.6
599F26.9Very low25.9Very low183 Ų183145 Ų14580%0.80377%0.767SS**  -169.3148.9122.6-118.8-83.3000111.5
600Q24.6Very low25.8Very low162 Ų162149.3 Ų149.376%0.75777%0.772SS**  trans-76.5156.1176.4-68.5131.9-8100113.1
601C26.8Very low26Very low109 Ų109147.4 Ų147.474%0.73677%0.77SS**  trans-166.9126.8139.2-112.40000110.5
602Y26.4Very low26Very low213 Ų213147.4 Ų147.484%0.83577%0.77SS**  trans42.9120.1162.9-60.4-94.1000117.8
603E27.3Very low26Very low187 Ų187150 Ų15087%0.87477%0.772SS**  -148.4174.575.6-132.3170.2-166.400116.3
604I27.6Very low26Very low131 Ų131148.7 Ų148.767%0.67277%0.767SS**  trans-69150.3-167.8-70.4154.3000113.2
605D24.6Very low26Very low137 Ų137150.7 Ų150.773%0.73376%0.764SS**  trans23.8123.1161-54.8-25.8000119.5
606N26.8Very low25.9Very low159 Ų159152.9 Ų152.985%0.8577%0.767SS**  -136.4139.5117.9-142.6-25.5000113.7
607Q23.7Very low26Very low158 Ų158154.4 Ų154.474%0.73877%0.773SS**  trans-68147.9-169.5-61.4164.9-6.800112.6
608S23.2Very low26Very low91 Ų91156.8 Ų156.864%0.63677%0.774SS**  trans24.2104.6132.3-168.90000117.4
609K25.8Very low26Very low200 Ų200155.5 Ų155.587%0.8777%0.772SS**  -127.6110.5126.7-73-163176.1-176.50110.5
610Y23.8Very low25.9Very low210 Ų210154.9 Ų154.982%0.82477%0.772SS**  8.5116.3128.7-73.2-101.4000115.2
611L28.3Very low25.8Very low162 Ų162152.4 Ų152.485%0.84877%0.773SS**  -147.3151.5122.9-142.974.1000111.1
612D25.1Very low25.8Very low139 Ų139152.3 Ų152.374%0.74377%0.773SS**  trans-55.4152.3-173.5-53.8-99000115
613R26.4Very low25.9Very low231 Ų231149.6 Ų149.687%0.87277%0.773SS**  trans-126.192.4131.6-168.5166.4-174.7108.45111.6
614A25.1Very low25.9Very low71 Ų71145.9 Ų145.959%0.58777%0.768SS**  trans-67.9171.4152.900000110.7
615Q28.7Very low26.1Very low155 Ų155146 Ų14672%0.72477%0.774SS**  trans78.694.1175.2-51.1-173.1-2.600116.5
616N25.4Very low26.2Very low149 Ų149147.3 Ų147.380%0.79778%0.78SS**  54.6163.3102.4-60.47000120.6
617T27.8Very low26.3Very low135 Ų135147.4 Ų147.483%0.82878%0.78SS**  trans7794.3167.665.50000116.9
618H26Very low26.6Very low184 Ų184146.5 Ų146.585%0.85278%0.78SS**  trans-103.8127133.4-151-10.2000105.3
619P26.3Very low27Very low99 Ų99150.2 Ų150.264%0.64379%0.785SS**  -150150.4103.437.2-20.3000116
620Q23.4Very low27.3Very low171 Ų171147.2 Ų147.280%0.79978%0.783SS**  trans62.5149.3144.8-68.7-177.3-6.700123.4
621S23.9Very low27.8Very low110 Ų110140.4 Ų140.477%0.76978%0.777SS**  trans84.9140.2153.677.20000119.9
622S26.7Very low28Very low106 Ų106140.8 Ų140.874%0.74178%0.78SS**  trans64.1139.7175.670.60000116.7
623D27.5Very low28.3Very low157 Ų157142.2 Ų142.284%0.8479%0.788SS**  cis-162.6165.4-11-122.8-35000113.5
624S28.3Very low28.4Very low108 Ų108137.1 Ų137.176%0.75579%0.786SS**  trans74.9162.1152.3-155.80000121.6
625V30.9Very low28.5Very low133 Ų133143.1 Ų143.181%0.80680%0.802SS**  trans66.167.5175.2-158.10000117.1
626L26.9Very low28.6Very low165 Ų165142 Ų14286%0.86481%0.806SS**  trans-26.8142.5141.4-148.588.1000115.1
627L28.3Very low28.8Very low162 Ų162144.5 Ų144.585%0.84881%0.81SS**  trans-75.6149.3161.7-82.3159.4000111.3
628D29.9Very low28.9Very low138 Ų138148.7 Ų148.774%0.73881%0.812SS**  trans-122.1146.7163.4-173.619.7000109.7
629K32.5Very low29.5Very low169 Ų169145.2 Ų145.274%0.73581%0.806SS**  trans63.8107.2-165-55.6177.1-175.5175.10113.3
630T33Very low29.7Very low137 Ų137147.3 Ų147.384%0.8481%0.811SS**  61.5118.75282.10000114.3
631G33.8Very low29.9Very low67 Ų67147.1 Ų147.169%0.69181%0.81SS**  cis160.7156-9.300000113.7
632N31.9Very low30Very low171 Ų171148.1 Ų148.191%0.91481%0.812SS**  trans-172.693.4156.2-106.5-15000111.5
633N31.3Very low29.9Very low169 Ų169149.9 Ų149.990%0.90481%0.813SS**  trans-163.3163.1136.8-138.7-24.5000111.9
634C28.3Very low29.8Very low123 Ų123147.6 Ų147.683%0.83180%0.804SS**  trans-104.4178.6-170.6-71.20000114.8
635Q27.6Very low29.6Very low197 Ų197148.1 Ų148.192%0.92180%0.799SS**  trans-112.4170.2-157.5-62.3171.9-55.600115.5
636T31Very low29.4Very low133 Ų133149.1 Ų149.182%0.81680%0.795SS**  trans-103.9157.9174.546.10000112.8
637K28.8Very low29.4Very low200 Ų200150.3 Ų150.387%0.8779%0.789SS**  trans174160.3143-100.1162.7-175.8-178.40115.6
638Y29.9Very low29.4Very low224 Ų224151.6 Ų151.688%0.87878%0.784SS**  trans-135.8167155.6-83.6-84.9000106
639P39Very low29.2Very low111 Ų111149.9 Ų149.972%0.72178%0.775SS**  cis-137.3-152.718.833.2-7.2000114.5
640L30.3Very low28.9Very low143 Ų143147.3 Ų147.375%0.74977%0.765SS**  trans100.1131.6167-90.375.5000121.6
641E28.5Very low28.4Very low166 Ų166148 Ų14878%0.77676%0.756SS**  trans47.8100.4143.8-61.7-173.515700124.2
642T24.7Very low27.9Very low132 Ų132151.9 Ų151.981%0.8176%0.757SS**  29.5102.6118.3-43.30000120.5
643N25.8Very low27.4Very low143 Ų143148.4 Ų148.477%0.76575%0.746SS**  -162.3125119.9-127.4-8.2000115.7
644V24.7Very low27.2Very low109 Ų109148.7 Ų148.766%0.66174%0.742SS**  51.9110.4128.4165.10000121.1
645N24.3Very low27.1Very low119 Ų119151 Ų15164%0.63674%0.74SS**  trans82.1101.1131-70.84.7000123.6
646Q27.5Very low26.9Very low154 Ų154152 Ų15272%0.7274%0.736SS**  80.1107.5107.2-75.9175.3-3.400120.3
647Y26.9Very low26.7Very low190 Ų190150.9 Ų150.975%0.74573%0.728SS**  68.7150.1114.9-99.8-105.3000120.7
648Y28.2Very low26.5Very low189 Ų189146.4 Ų146.474%0.74172%0.722SS**  trans68.7139165.5-63.3-53.2000115.5
649D25.8Very low26.3Very low102 Ų102143.9 Ų143.955%0.54572%0.719SS.*  cis-155.8155.5-3.8-136-19.1000115.1
650Q25.1Very low25.5Very low115 Ų115147.8 Ų147.854%0.53773%0.727SS.*  trans46142136.8-89.1162.460.900123.7
651K24Very low25.3Very low150 Ų150144.3 Ų144.365%0.65273%0.726SS**  trans77.9150133.2-75.5173.9-179.6160.20118.5
652Q21.8Very low25.2Very low149 Ų149143.2 Ų143.270%0.69673%0.731SS**  cis-163.3168.8-17.9-132.3165.5-15.500110.5
653S22.2Very low25Very low98 Ų98144.8 Ų144.869%0.68573%0.727SS**  trans65.2156142.762.20000121.4
654E27.8Very low24.9Very low175 Ų175145.2 Ų145.282%0.81872%0.722SS**  trans65.699.4167.9-55-173.5174.100116.3
655Q25.6Very low25Very low171 Ų171147.7 Ų147.780%0.79973%0.726SS**  cis63.1132.55.4-159.2-178.947.300116.9
656R23.5Very low25Very low220 Ų220145.6 Ų145.683%0.8372%0.72SS**  trans83.5147-168.8-54.8157.6179.2-100.4-1111.7
657T26.4Very low24.8Very low108 Ų108145.6 Ų145.666%0.66373%0.726SS**  cis-151.6139.4-8.510.80000105
658S24.9Very low24.7Very low106 Ų106141.2 Ų141.274%0.74172%0.715SS**  53.978.457.3-61.50000112.8
659E25Very low24.6Very low172 Ų172142.3 Ų142.380%0.80472%0.724SS**  trans179.3102.7146.9-96.9147.6-135.200106
660E22.8Very low24.4Very low192 Ų192141.6 Ų141.690%0.89772%0.723SS**  78.613677-73.8-161.915900113.3
661G25.9Very low24.3Very low71 Ų71143.6 Ų143.673%0.73274%0.738SS**  trans-82.8137.6-159.400000114.6
662T27Very low24.5Very low142 Ų142141.6 Ų141.687%0.87174%0.743SS**  trans-120.686.8145.7-53.10000105.8
663F20.5Very low25.1Very low165 Ų165142.2 Ų142.272%0.72475%0.75SS**  60.3120.865-163.8-124.3000112.2
664K23.4Very low25.3Very low152 Ų152142.7 Ų142.766%0.66175%0.753SS**  trans74.1119.3170.6-71.3-178.5170.3175.80119.2
665H26.4Very low25.5Very low162 Ų162140.3 Ų140.375%0.7575%0.75SS**  trans72.6104.8133.9-79-72.7000120.2
666S24.4Very low25.6Very low74 Ų74143.6 Ų143.652%0.51776%0.756SS.*  38.9106.4122.460.40000118.4N668S666-N668 PolarHBondContact O-ND2 2.92Å
667D23.8Very low25.9Very low155 Ų155137.6 Ų137.683%0.82975%0.745SS**  -115.2127.6114.6-82-49.8000108.1
668N23.9Very low25.8Very low98 Ų98139.4 Ų139.452%0.52475%0.748SS.*  cis87.682.846-68.1-37.2000113.4S666 V670S666-N668 PolarHBondContact O-ND2 2.92Å; N668-V670 HydrophobicContact CB-CG2 3.61Å
669F25.5Very low25.8Very low211 Ų211141.1 Ų141.193%0.92574%0.744SS**  trans-15268.2134.7-138.8-95.4000110
670V23.2Very low25.9Very low87 Ų87139 Ų13953%0.52774%0.737SS.*  80.8126.168177.60000113.3N668N668-V670 HydrophobicContact CB-CG2 3.61Å
671D22Very low26.1Very low158 Ų158139 Ų13985%0.84573%0.734SS**  trans-30.3119.7169.1-53.1-66.3000116.4
672S29.1Very low26.5Very low108 Ų108143.1 Ų143.176%0.75573%0.734SS**  trans-152.2150.1145.4-155.80000109.5
673L33.6Very low26.7Very low161 Ų161144.5 Ų144.584%0.84374%0.736SS**  trans59.882.4-167.5-50.4174.6000112.4
674S26.9Very low27.2Very low108 Ų108142.2 Ų142.276%0.75573%0.731SS**  cis55.489.625.6-166.70000114.4
675T31.7Very low27.4Very low125 Ų125142.3 Ų142.377%0.76774%0.739SS**  trans-156.5104.3146.2-75.50000109.1
676R26.9Very low27.5Very low241 Ų241141.3 Ų141.391%0.90974%0.738SS**  trans-70.1136.9150.4-141.5-175.8-176.8-177.30.6105.2
677P30.4Very low27.7Very low93 Ų93143.3 Ų143.360%0.60475%0.752SS**  -146.4154.985.839.9-25.4000115.2
678M24.6Very low27.8Very low147 Ų147144.6 Ų144.672%0.72475%0.753SS**  trans64.2147.8137.4-71.7171.97100120.5
679E24.5Very low28.4Very low141 Ų141146.4 Ų146.466%0.65977%0.767SS**  cis-174.3165.7-26.2-127.1168-150.400107.6
680I26.3Very low29Very low127 Ų127141.6 Ų141.665%0.65176%0.757SS**  trans59105.1152.2-64.7165000114.8
681K29Very low29.1Very low193 Ų193144.9 Ų144.984%0.83977%0.771SS**  cis-157.1161.823.4-95.2147.4178.8162.50110.8
682H32.6Very low29.3Very low157 Ų157145.8 Ų145.873%0.72777%0.77SS**  trans-60.2153.4162.9-72-79.1000112.7D684H682-D684 IonicContact CE1-OD2 3.46Å; H682-D684 IonicContact CG-OD2 3.39Å; H682-D684 IonicContact ND1-OD2 3.58Å; H682-D684 PolarHBondContact ND1-OD2 3.34Å
683N31.2Very low29.1Very low171 Ų171148.4 Ų148.491%0.91477%0.772SS**  trans-155.876.4141.6-101.3-3.8000107
684D31.4Very low29Very low117 Ų117147 Ų14763%0.62677%0.765SS**  trans-98.2104.3174.8-61-78.4000108.9H682H682-D684 IonicContact CE1-OD2 3.46Å; H682-D684 IonicContact CG-OD2 3.39Å; H682-D684 IonicContact ND1-OD2 3.58Å; H682-D684 PolarHBondContact ND1-OD2 3.34Å
685D27.9Very low29.1Very low155 Ų155149.3 Ų149.383%0.82977%0.765SS**  trans-167.7105.8163.4-96.1-33.8000105.8
686I29.5Very low29Very low140 Ų140150.3 Ų150.372%0.71876%0.764SS**  83.2117.350.6-59.6176.6000113.7
687S27.6Very low29.3Very low116 Ų116147 Ų14781%0.81176%0.758SS**  trans74.9146.8159.172.70000120.5
688E25.1Very low29.2Very low182 Ų182148.2 Ų148.285%0.8577%0.769SS**  trans-93.5135.9176.7-64164.499.500111
689V38.3Very low29.5Very low136 Ų136148.3 Ų148.382%0.82477%0.772SS**  trans38.6111146.5-170.40000117
690P36.5Very low29.8Very low111 Ų111149 Ų14972%0.72178%0.78SS**  -156.9150.275.439.1-18.7000119.8
691L26.5Very low29.7Very low156 Ų156150.4 Ų150.482%0.81779%0.788SS**  trans49.4127.2145.5-69.4175.3000123.7
692Q26.1Very low29.7Very low176 Ų176145.3 Ų145.382%0.82278%0.776SS**  trans86.3107.5142.3-72.7-179.1-10.900122.3
693M25.5Very low29.6Very low163 Ų163142.6 Ų142.680%0.80378%0.776SS**  7998.4121.2-164.477.6162.200120
694N29.9Very low29.6Very low131 Ų131142.9 Ų142.970%0.70177%0.768SS**  -177.9153119.5-103.7-62.3000117
695Q30.1Very low29.3Very low158 Ų158143.3 Ų143.374%0.73877%0.771SS**  trans66107.2148.8-67.4174.321.700123.9
696I28.3Very low29.1Very low146 Ų146141.4 Ų141.475%0.74977%0.765SS**  46117.8112.6-57.6166.1000118.4
697Q33.5Very low29.3Very low171 Ų171141 Ų14180%0.79977%0.769SS**  168.3119.999.2-141.316126.600113.7
698S28.8Very low29.6Very low118 Ų118142.4 Ų142.483%0.82577%0.766SS**  trans-160.5128.5159.362.70000111.3
699N30.3Very low29.8Very low149 Ų149140 Ų14080%0.79776%0.759SS**  trans-89.1144.4-174.1-53.1-65.8000112.5
700L30.8Very low29.2Very low156 Ų156140.2 Ų140.282%0.81775%0.751SS**  -165142.9110.6-14658.5000114.5
701L24.7Very low28.8Very low156 Ų156142.9 Ų142.982%0.81775%0.751SS**  trans-18.6152.6157.9-55.3167000117.3
702S29.7Very low28.8Very low86 Ų86140.4 Ų140.460%0.60175%0.747SS**  cis-166.4140.2-3.7167.80000107.1
703S29.6Very low30Very low101 Ų101137 Ų13771%0.70674%0.74SS**  -176.9132.285.8-68.10000109.3
704K30.6Very low30.2Very low176 Ų176138.5 Ų138.577%0.76574%0.742SS**  50.2127.296.5-61-173.9178.3177.10114
705N25.7Very low30.1Very low127 Ų127140.2 Ų140.268%0.67975%0.746SS**  cis-161.3148.812.3-120.18.2000114.1
706T24.7Very low30.3Very low115 Ų115139 Ų13971%0.70674%0.743SS**  trans41.9123145.260.20000121.1
707V32.8Very low30.4Very low131 Ų131138.3 Ų138.379%0.79474%0.741SS**  173.6152.6108.3150.10000107.2
708L33.9Very low30.4Very low145 Ų145135.1 Ų135.176%0.75974%0.738SS**  cis-136.4-108.420-146.3161.5000112.7
709L30.6Very low30.2Very low133 Ų133136.3 Ų136.370%0.69674%0.735SS**  trans-147.1-179.2-170.4-102.862.4000108.4
710E25.1Very low29.9Very low140 Ų140137.2 Ų137.265%0.65473%0.734SS**  cis176.8176.9-33.7-112.3-163.3169.200108.3
711K28.8Very low29.6Very low166 Ų166134.8 Ų134.872%0.72273%0.726SS**  trans81.9113.5148.3-82.9165.7179.4107.60122.8
712S25.4Very low29.8Very low104 Ų104135 Ų13573%0.72773%0.725SS**  trans-57.8152.6131.355.10000112
713P52Low29.6Very low106 Ų106135.1 Ų135.169%0.68873%0.726SS**  -158.3-172.872.142.1-20.9000117.7
714K28.7Very low29.3Very low194 Ų194137.2 Ų137.284%0.84373%0.728SS**  trans74135.9165.7-64-178.1-177.9-174.20116.4
715H27.2Very low29.4Very low167 Ų167134.2 Ų134.277%0.77373%0.729SS**  cis74.7147.810.4-153.5-80.9000118.2
716L35.2Very low29.3Very low131 Ų131135.5 Ų135.569%0.68674%0.736SS**  trans104.8110.5161.6-149.576.3000117.6
717D30.4Very low29.6Very low133 Ų133135.6 Ų135.671%0.71174%0.742SS**  trans34.7130140.7-45.5-22.3000122.4
718S33.2Very low29.2Very low103 Ų103134.5 Ų134.572%0.7275%0.746SS**  trans-73.9133.6152.252.90000111.6
719N24Very low29Very low144 Ų144131.7 Ų131.777%0.7774%0.744SS**  trans174.695.4137.5-85.2-15.1000106.8
720E25.4Very low28.9Very low168 Ų168131.2 Ų131.279%0.78575%0.747SS**  79.6139.976.6-158.9-171-121.100113.4
721T24.8Very low28.8Very low105 Ų105129.9 Ų129.964%0.64475%0.748SS**  trans86.5141.3169.3790000119.5
722M28.7Very low28.9Very low161 Ų161131 Ų13179%0.79376%0.756SS**  trans73.4137.4160.2-49.3-47.5173.100121.1
723S24.3Very low28.8Very low88 Ų88132.8 Ų132.862%0.61576%0.758SS**  cis-173.8151.8-34.7-115.80000112.3
724L24.4Very low27.9Very low144 Ų144133.4 Ų133.475%0.75476%0.759SS**  trans45.9101.4141.8-59167.2000120.2
725S32Very low27.8Very low114 Ų114130.9 Ų130.980%0.79776%0.755SS**  -169.5115.8121.529.70000109.3
726N24.4Very low27.7Very low154 Ų154129.1 Ų129.182%0.82475%0.75SS**  66.378.571-73.3-1.8000114.5
727S31.7Very low27.8Very low117 Ų117127.3 Ų127.382%0.81875%0.747SS**  trans-13275.5147.166.40000109.7A729S727-A729 PolarHBondContact O-N 2.88Å
728A23.2Very low28Very low108 Ų108126.1 Ų126.189%0.89375%0.746SS**  trans-72.1121.6164.800000108.4
729A30.8Very low27.6Very low86 Ų86129.4 Ų129.471%0.71175%0.75SS**  trans-137.6103.917200000110.5S727S727-A729 PolarHBondContact O-N 2.88Å
730T27.6Very low27.8Very low122 Ų122126.7 Ų126.775%0.74876%0.757SS**  67.979.7121.3-45.20000117.7
731T23.6Very low28Very low113 Ų113125.7 Ų125.769%0.69376%0.756SS**  26.3120.9118.259.40000118.3
732Q30.6Very low28.2Very low190 Ų190128.2 Ų128.289%0.88877%0.765SS**  -153.8103.5128.9-119.7170.210.500111.7
733D23.2Very low28Very low141 Ų141128.6 Ų128.675%0.75476%0.762SS**  trans-65.6129.8165-65.1-90.3000110.5
734V32.9Very low28.3Very low118 Ų118131.4 Ų131.472%0.71577%0.769SS**  trans-121.468.8155-175.20000107.8I736V734-I736 HydrophobicContact CG1-CD1 3.74Å; V734-I736 HydrophobicContact CG1-CG1 3.9Å; V734-I736 PolarHBondContact O-N 3.17Å; V734-I736 VanDerWaalsContact O-N 3.1Å
735N26.2Very low28.7Very low142 Ų142129.9 Ų129.976%0.75977%0.767SS**  trans-72.895.1173-178.56.8000109.5
736I26.2Very low28.4Very low129 Ų129133.3 Ų133.366%0.66277%0.768SS**  trans-115.8101.4170.6-57.6177.4000108.6V734 P738V734-I736 HydrophobicContact CG1-CD1 3.74Å; V734-I736 HydrophobicContact CG1-CG1 3.9Å; V734-I736 PolarHBondContact O-N 3.17Å; V734-I736 VanDerWaalsContact O-N 3.1Å; I736-P738 HydrophobicContact CG2-CG 4.26Å; I736-P738 WeakPolarHBondContact O-CD 3.42Å
737C35.7Very low28.7Very low93 Ų93132.5 Ų132.563%0.62877%0.769SS**  trans-103.694.3163.1170.40000108.9Q739C737-Q739 PolarHBondContact O-N 3.01Å
738P35.1Very low28.5Very low108 Ų108134 Ų13470%0.70176%0.763SS**  trans-87.2100.3176.632.4-23.8000108.9I736 G740I736-P738 HydrophobicContact CG2-CG 4.26Å; I736-P738 WeakPolarHBondContact O-CD 3.42Å; P738-G740 PolarHBondContact O-N 2.91Å; P738-G740 VanDerWaalsContact O-N 3.11Å
739Q25.2Very low28.9Very low172 Ų172134.2 Ų134.280%0.80475%0.753SS**  trans-70.8105.4177-69.3176.9-15.900110.5C737 L741C737-Q739 PolarHBondContact O-N 3.01Å; Q739-L741 VanDerWaalsContact C-N 3.28Å; Q739-L741 PolarHBondContact O-N 3.41Å
740G27.5Very low29.1Very low88 Ų88138.1 Ų138.191%0.90775%0.754SS**  trans-73.571.1176.100000113.4P738P738-G740 PolarHBondContact O-N 2.91Å; P738-G740 VanDerWaalsContact O-N 3.11Å
741L31.2Very low29.6Very low146 Ų146136.2 Ų136.276%0.76475%0.746SS**  trans-136.571.6171.7-152.1175.3000111.5Q739Q739-L741 VanDerWaalsContact C-N 3.28Å; Q739-L741 PolarHBondContact O-N 3.41Å
742L27.5Very low30.3Very low158 Ų158138.1 Ų138.183%0.82774%0.74SS**  trans-134.9118.8163.8-77.2174.1000107
743F25.7Very low30.9Very low169 Ų169134.6 Ų134.674%0.74173%0.726SS**  77.8136.482.1-103.1-115.1000113.6
744I30Very low31.8Very low148 Ų148134.3 Ų134.376%0.75973%0.732SS**  trans72.3134158.9-63.1158.1000116.2
745P31.8Very low32.7Very low111 Ų111130.2 Ų130.272%0.72171%0.713SS**  cis-134.1-178.1-25.436.6-17.6000114.3T747P745-T747 PolarHBondContact O-N 3.39Å
746K25.6Very low34.2Very low186 Ų186128 Ų12881%0.80970%0.699SS**  trans-59.2124.2166-55.1154.3-176.6171.10110.9
747T30.6Very low35.6Very low138 Ų138124 Ų12485%0.84769%0.688SS**  trans-103.6116.9141.541.40000108.8P745P745-T747 PolarHBondContact O-N 3.39Å
748E29.2Very low36.6Very low149 Ų149124.5 Ų124.570%0.69669%0.689SS**  trans38.592170.3-58.5-152.6172.700118.7K750E748-K750 VanDerWaalsContact C-N 3.3Å; E748-K750 PolarHBondContact O-N 2.98Å; E748-K750 IonicContact OE2-NZ 2.87Å; E748-K750 PolarHBondContact OE2-NZ 3.1Å
749V30Very low37.9Very low112 Ų112122.9 Ų122.968%0.67967%0.671SS**  trans-57.594.1153.4178.90000109.6S751V749-S751 VanDerWaalsContact C-N 3.3Å; V749-S751 WeakPolarHBondContact CG1-OG 3.27Å
750K35.5Very low39.2Very low167 Ų167117.4 Ų117.473%0.72665%0.647SS**  trans-100.264.6147.8-77.2175.5-178.9113.60108.3E748 R752E748-K750 VanDerWaalsContact C-N 3.3Å; E748-K750 PolarHBondContact O-N 2.98Å; E748-K750 IonicContact OE2-NZ 2.87Å; E748-K750 PolarHBondContact OE2-NZ 3.1Å; K750-R752 PolarHBondContact O-N 3.12Å
751S37.9Very low40.6Very low83 Ų83119.5 Ų119.558%0.5863%0.632SS**  trans-51.1108.216250.60000108V749 I753V749-S751 VanDerWaalsContact C-N 3.3Å; V749-S751 WeakPolarHBondContact CG1-OG 3.27Å; S751-I753 PolarHBondContact O-N 3.22Å
752R39Very low41.7Very low153 Ų153117.5 Ų117.558%0.57762%0.619SS**  trans-63.197162.7-81.1-175157.8-157.6-8.2106.4K750 H756 M760K750-R752 PolarHBondContact O-N 3.12Å; R752-H756 HydrophobicContact CB-CB 4.24Å; R752-H756 VanDerWaalsContact CZ-NE2 3.29Å; R752-H756 PolarHBondContact NE-CD2 3.41Å; R752-H756 PolarHBondContact NE-NE2 2.84Å; R752-H756 PolarHBondContact NH2-NE2 2.83Å; R752-M760 PolarHBondContact NH1-SD 3.01Å; R752-M760 VanDerWaalsContact NH1-SD 3.43Å; R752-M760 PolarHBondContact NH2-SD 3.09Å
753I43.3Very low42.9Very low115 Ų115116 Ų11659%0.5961%0.606SS**  trans-42.2135.7175.4-64167.6000108.1S751 G755 H756S751-I753 PolarHBondContact O-N 3.22Å; I753-G755 VanDerWaalsContact C-N 3.33Å; I753-G755 CarbonylContact O-C 3.41Å; I753-G755 PolarHBondContact O-N 3.48Å; I753-H756 HydrophobicContact CB-CB 4.48Å; I753-H756 WeakPolarHBondContact O-CA 3.1Å; I753-H756 WeakPolarHBondContact O-CB 3.28Å; I753-H756 PolarHBondContact O-N 2.91Å
754P42.5Very low43.9Very low136 Ų136113.8 Ų113.888%0.88360%0.601SS**THydrogen-bonded Turntrans-60.298.3166.5-23.435.4000108.5
755G50.3Low44.9Very low31 Ų31110.5 Ų110.532%0.3259%0.592SS.*THydrogen-bonded Turntrans136.6-35.6-159.500000113.1I753 G757 V758 H759I753-G755 VanDerWaalsContact C-N 3.33Å; I753-G755 CarbonylContact O-C 3.41Å; I753-G755 PolarHBondContact O-N 3.48Å; G755-G757 VanDerWaalsContact C-N 3.33Å; G755-V758 CarbonylContact O-C 3.56Å; G755-V758 PolarHBondContact O-N 2.94Å; G755-H759 VanDerWaalsContact O-CB 3.24Å; G755-H759 WeakPolarHBondContact O-CB 3.1Å; G755-H759 PolarHBondContact O-N 3.46Å
756H57.9Low45.3Very low97 Ų97108.6 Ų108.645%0.44959%0.585SS.*Hα-helixtrans-70-31.2162.1-171103000111.3R752 I753 V758 M760R752-H756 HydrophobicContact CB-CB 4.24Å; R752-H756 VanDerWaalsContact CZ-NE2 3.29Å; R752-H756 PolarHBondContact NE-CD2 3.41Å; R752-H756 PolarHBondContact NE-NE2 2.84Å; R752-H756 PolarHBondContact NH2-NE2 2.83Å; I753-H756 HydrophobicContact CB-CB 4.48Å; I753-H756 WeakPolarHBondContact O-CA 3.1Å; I753-H756 WeakPolarHBondContact O-CB 3.28Å; I753-H756 PolarHBondContact O-N 2.91Å; H756-V758 VanDerWaalsContact C-N 3.31Å; H756-M760 WeakPolarHBondContact O-CB 3.42Å; H756-M760 PolarHBondContact O-N 2.94Å
757G55.5Low46Very low43 Ų43108.9 Ų108.944%0.44358%0.581SS.*Hα-helixtrans-57.9-46166.500000111.6G755 H761G755-G757 VanDerWaalsContact C-N 3.33Å; G757-H761 WeakPolarHBondContact O-CB 3.32Å; G757-H761 PolarHBondContact O-N 3.37Å
758V57.5Low46.5Very low105 Ų105107.7 Ų107.764%0.63658%0.578SS**Hα-helixtrans-69.7-43.7177.1-175.60000111.5G755 H756 M760 H761 E762G755-V758 CarbonylContact O-C 3.56Å; G755-V758 PolarHBondContact O-N 2.94Å; H756-V758 VanDerWaalsContact C-N 3.31Å; V758-M760 PolarHBondContact O-N 3.3Å; V758-H761 CarbonylContact O-C 3.5Å; V758-H761 WeakPolarHBondContact O-CB 3.46Å; V758-H761 PolarHBondContact O-N 3.26Å; V758-E762 VanDerWaalsContact O-CB 3.28Å; V758-E762 WeakPolarHBondContact O-CB 3.46Å; V758-E762 PolarHBondContact O-N 2.9Å
759H61.6Low47.1Very low73 Ų73107.9 Ų107.934%0.33858%0.577SS.*Hα-helixtrans-74.9-22.7-179.3-172.960.7000113.3G755 E762 K763G755-H759 VanDerWaalsContact O-CB 3.24Å; G755-H759 WeakPolarHBondContact O-CB 3.1Å; G755-H759 PolarHBondContact O-N 3.46Å; H759-E762 IonicContact CE1-OE2 2.75Å; H759-E762 IonicContact CG-OE2 3.21Å; H759-E762 IonicContact ND1-OE2 2.63Å; H759-E762 PolarHBondContact ND1-OE2 2.92Å; H759-K763 WeakPolarHBondContact NE2-CE 3.47Å; H759-K763 PolarHBondContact NE2-NZ 3.34Å; H759-K763 WeakPolarHBondContact O-CB 3.49Å; H759-K763 WeakPolarHBondContact O-CG 3.08Å; H759-K763 PolarHBondContact O-N 3.24Å
760M54Low47.8Very low58 Ų58112.3 Ų112.329%0.28659%0.587SS.*Hα-helixtrans-83.8-32.4168.5-163.1-139.666.600111.3R752 H756 V758 E762 K763 L764R752-M760 PolarHBondContact NH1-SD 3.01Å; R752-M760 VanDerWaalsContact NH1-SD 3.43Å; R752-M760 PolarHBondContact NH2-SD 3.09Å; H756-M760 WeakPolarHBondContact O-CB 3.42Å; H756-M760 PolarHBondContact O-N 2.94Å; V758-M760 PolarHBondContact O-N 3.3Å; M760-E762 VanDerWaalsContact C-N 3.31Å; M760-K763 PolarHBondContact O-N 2.68Å; M760-L764 HydrophobicContact CE-CD1 3.6Å; M760-L764 HydrophobicContact CE-CG 4.2Å; M760-L764 WeakPolarHBondContact O-CB 3.43Å; M760-L764 VanDerWaalsContact O-CG 3.31Å; M760-L764 WeakPolarHBondContact O-CG 3.35Å; M760-L764 PolarHBondContact O-N 2.71Å; M760-L764 HydrophobicContact SD-CD1 4.46Å
761H57.2Low48.1Very low131 Ų131111.4 Ų111.461%0.60658%0.579SS**Hα-helixtrans-59.3-47.1164-175.3-43.8000109.7G757 V758 L764 S765G757-H761 WeakPolarHBondContact O-CB 3.32Å; G757-H761 PolarHBondContact O-N 3.37Å; V758-H761 CarbonylContact O-C 3.5Å; V758-H761 WeakPolarHBondContact O-CB 3.46Å; V758-H761 PolarHBondContact O-N 3.26Å; H761-L764 CarbonylContact O-C 3.54Å; H761-L764 PolarHBondContact O-N 2.98Å; H761-S765 WeakPolarHBondContact O-CB 3.46Å; H761-S765 PolarHBondContact O-N 2.98Å; H761-S765 PolarHBondContact O-OG 3.37Å
762E52.9Low48.9Very low105 Ų105110.8 Ų110.849%0.49158%0.575SS.*Hα-helixtrans-59.1-47.5175.8-173.4-178.9-146.500111.2V758 H759 M760 L764 S765 A766V758-E762 VanDerWaalsContact O-CB 3.28Å; V758-E762 WeakPolarHBondContact O-CB 3.46Å; V758-E762 PolarHBondContact O-N 2.9Å; H759-E762 IonicContact CE1-OE2 2.75Å; H759-E762 IonicContact CG-OE2 3.21Å; H759-E762 IonicContact ND1-OE2 2.63Å; H759-E762 PolarHBondContact ND1-OE2 2.92Å; M760-E762 VanDerWaalsContact C-N 3.31Å; E762-L764 PolarHBondContact O-N 3.48Å; E762-S765 WeakPolarHBondContact CA-OG 3.38Å; E762-S765 PolarHBondContact O-N 3.29Å; E762-S765 PolarHBondContact O-OG 3.46Å; E762-S765 VanDerWaalsContact O-OG 3.08Å; E762-A766 WeakPolarHBondContact O-CA 3.44Å; E762-A766 WeakPolarHBondContact O-CB 3.44Å; E762-A766 PolarHBondContact O-N 3.31Å
763K52.3Low49.9Very low126 Ų126106.9 Ų106.955%0.54858%0.575SS.*Hα-helixtrans-69.3-27176.1-82.5173.2167.1160.20114.2H759 M760 R767H759-K763 WeakPolarHBondContact NE2-CE 3.47Å; H759-K763 PolarHBondContact NE2-NZ 3.34Å; H759-K763 WeakPolarHBondContact O-CB 3.49Å; H759-K763 WeakPolarHBondContact O-CG 3.08Å; H759-K763 PolarHBondContact O-N 3.24Å; M760-K763 PolarHBondContact O-N 2.68Å; K763-R767 WeakPolarHBondContact O-CB 3.49Å; K763-R767 PolarHBondContact O-N 3.09Å; K763-R767 VanDerWaalsContact O-N 3.16Å
764L47.7Very low50.9Low122 Ų122107 Ų10764%0.63958%0.577SS**Hα-helixtrans-82.5-20.4171.9-69.7-169.5000113.8M760 H761 E762M760-L764 HydrophobicContact CE-CD1 3.6Å; M760-L764 HydrophobicContact CE-CG 4.2Å; M760-L764 WeakPolarHBondContact O-CB 3.43Å; M760-L764 VanDerWaalsContact O-CG 3.31Å; M760-L764 WeakPolarHBondContact O-CG 3.35Å; M760-L764 PolarHBondContact O-N 2.71Å; M760-L764 HydrophobicContact SD-CD1 4.46Å; H761-L764 CarbonylContact O-C 3.54Å; H761-L764 PolarHBondContact O-N 2.98Å; E762-L764 PolarHBondContact O-N 3.48Å
765S51.4Low51.7Low80 Ų80102.5 Ų102.556%0.55955%0.549SS*.Hα-helixtrans-88.8-31.4169.156.40000113H761 E762H761-S765 WeakPolarHBondContact O-CB 3.46Å; H761-S765 PolarHBondContact O-N 2.98Å; H761-S765 PolarHBondContact O-OG 3.37Å; E762-S765 WeakPolarHBondContact CA-OG 3.38Å; E762-S765 PolarHBondContact O-N 3.29Å; E762-S765 PolarHBondContact O-OG 3.46Å; E762-S765 VanDerWaalsContact O-OG 3.08Å
766A39.1Very low52.2Low71 Ų71104 Ų10459%0.58755%0.549SS*.Hα-helixtrans-88.9-23-175.700000113.9E762 S768E762-A766 WeakPolarHBondContact O-CA 3.44Å; E762-A766 WeakPolarHBondContact O-CB 3.44Å; E762-A766 PolarHBondContact O-N 3.31Å; A766-S768 PolarHBondContact O-N 3.03Å
767R40.4Very low52.9Low192 Ų192105.5 Ų105.573%0.72556%0.556SS**  trans-7881.4172.9-156.5170.1-160.3-169.85.9110.9K763 K769K763-R767 WeakPolarHBondContact O-CB 3.49Å; K763-R767 PolarHBondContact O-N 3.09Å; K763-R767 VanDerWaalsContact O-N 3.16Å; R767-K769 PolarHBondContact O-N 3.13Å
768S41.6Very low53.9Low113 Ų113107.8 Ų107.879%0.7956%0.555SS**  trans-62.867.8166.5-169.90000111.6A766A766-S768 PolarHBondContact O-N 3.03Å
769K42.7Very low54.6Low152 Ų152105.8 Ų105.866%0.66154%0.541SS*.  trans-78.2116.6148.8-79.1-166170-166.40105.8R767 R771R767-K769 PolarHBondContact O-N 3.13Å; K769-R771 PolarHBondContact O-N 3.1Å
770K44.2Very low55.2Low206 Ų206107.6 Ų107.690%0.89655%0.549SS*.  trans-43.5107.2170-63.3178.3179.7-178.70107.9S772K770-S772 PolarHBondContact O-N 3.31Å
771R42.3Very low56.4Low147 Ų147109.4 Ų109.456%0.55556%0.557SS**  trans-69.2117.6177.7-63.6-178.3-175.2163.12.6106.2K769 I776K769-R771 PolarHBondContact O-N 3.1Å; R771-I776 HydrophobicContact CB-CD1 3.99Å; R771-I776 HydrophobicContact CB-CG1 3.71Å; R771-I776 HydrophobicContact CG-CG1 4.28Å
772S52.8Low57.5Low71 Ų71108.7 Ų108.750%0.49755%0.552SS.*  trans-56.1148.9161.148.70000108.2K770 N774 S775 I776K770-S772 PolarHBondContact O-N 3.31Å; S772-N774 PolarHBondContact O-N 3.37Å; S772-N774 VanDerWaalsContact O-N 3.09Å; S772-S775 PolarHBondContact O-N 2.81Å; S772-I776 PolarHBondContact O-N 3.23Å
773A60.3Low58.8Low71 Ų71109.1 Ų109.159%0.58755%0.554SS**Hα-helixtrans-48.1-44.7-178.100000111.1S775 I776 Q777A773-S775 VanDerWaalsContact C-N 3.25Å; A773-S775 PolarHBondContact O-N 3.16Å; A773-S775 VanDerWaalsContact O-N 3.13Å; A773-I776 PolarHBondContact O-N 3.29Å; A773-Q777 WeakPolarHBondContact O-CB 3.33Å; A773-Q777 PolarHBondContact O-N 2.77Å
774N65Low60.2Low116 Ų116104.9 Ų104.962%0.6254%0.542SS*.Hα-helixtrans-47.5-39.6175.3-43.736.7000113.9S772 Q777 E778S772-N774 PolarHBondContact O-N 3.37Å; S772-N774 VanDerWaalsContact O-N 3.09Å; N774-Q777 WeakPolarHBondContact O-CB 3.38Å; N774-E778 WeakPolarHBondContact O-CB 3.32Å; N774-E778 PolarHBondContact O-N 2.7Å
775S58.8Low61.9Low43 Ų43104.4 Ų104.430%0.30153%0.532SS..Hα-helixtrans-83.1-27.5-177.4179.30000113.1S772 A773 I779S772-S775 PolarHBondContact O-N 2.81Å; A773-S775 VanDerWaalsContact C-N 3.25Å; A773-S775 PolarHBondContact O-N 3.16Å; A773-S775 VanDerWaalsContact O-N 3.13Å; S775-I779 WeakPolarHBondContact O-CD1 3.33Å; S775-I779 WeakPolarHBondContact O-CG1 3.37Å; S775-I779 PolarHBondContact O-N 2.81Å
776I60.5Low63.3Low63 Ų63102.4 Ų102.432%0.32352%0.521SS..Hα-helixtrans-67-49.4164.6-72.1168.2000108.3R771 S772 A773 E778 I779 E780R771-I776 HydrophobicContact CB-CD1 3.99Å; R771-I776 HydrophobicContact CB-CG1 3.71Å; R771-I776 HydrophobicContact CG-CG1 4.28Å; S772-I776 PolarHBondContact O-N 3.23Å; A773-I776 PolarHBondContact O-N 3.29Å; I776-E778 PolarHBondContact O-N 3.34Å; I776-I779 PolarHBondContact O-N 3.39Å; I776-E780 HydrophobicContact CG2-CG 3.98Å; I776-E780 VanDerWaalsContact CG2-OE1 3.32Å; I776-E780 WeakPolarHBondContact CG2-OE1 3.44Å; I776-E780 WeakPolarHBondContact O-CB 3.44Å; I776-E780 WeakPolarHBondContact O-CG 3.4Å; I776-E780 PolarHBondContact O-N 3.08Å
777Q74.2Confident65.5Low128 Ų128106.2 Ų106.260%0.59852%0.52SS*.Hα-helixtrans-53.6-47179.8-152.617214.200111.9A773 N774 I779 E780 E781A773-Q777 WeakPolarHBondContact O-CB 3.33Å; A773-Q777 PolarHBondContact O-N 2.77Å; N774-Q777 WeakPolarHBondContact O-CB 3.38Å; Q777-I779 PolarHBondContact O-N 3.21Å; Q777-E780 PolarHBondContact O-N 2.73Å; Q777-E781 WeakPolarHBondContact O-CB 3.12Å; Q777-E781 PolarHBondContact O-N 3.24Å
778E74.7Confident67.6Low90 Ų90100.6 Ų100.642%0.42151%0.507SS..Hα-helixtrans-65.1-34.9178-159.7-151.8154.600113.4N774 I776 K782N774-E778 WeakPolarHBondContact O-CB 3.32Å; N774-E778 PolarHBondContact O-N 2.7Å; I776-E778 PolarHBondContact O-N 3.34Å; E778-K782 WeakPolarHBondContact O-CB 3.37Å; E778-K782 WeakPolarHBondContact O-CG 3.13Å; E778-K782 PolarHBondContact O-N 2.72Å; E778-K782 WeakPolarHBondContact OE1-CE 3.43Å; E778-K782 IonicContact OE1-NZ 2.72Å; E778-K782 PolarHBondContact OE1-NZ 3.23Å
779I72.2Confident69.9Low64 Ų64100.4 Ų100.433%0.32850%0.496SS..Hα-helixtrans-75-44.1177-67.5170.9000110.4S775 I776 Q777 E781 K782 Q783S775-I779 WeakPolarHBondContact O-CD1 3.33Å; S775-I779 WeakPolarHBondContact O-CG1 3.37Å; S775-I779 PolarHBondContact O-N 2.81Å; I776-I779 PolarHBondContact O-N 3.39Å; Q777-I779 PolarHBondContact O-N 3.21Å; I779-E781 VanDerWaalsContact C-N 3.28Å; I779-E781 PolarHBondContact O-N 3.12Å; I779-K782 CarbonylContact O-C 3.55Å; I779-K782 PolarHBondContact O-N 3.48Å; I779-Q783 WeakPolarHBondContact O-CG 3.16Å; I779-Q783 PolarHBondContact O-N 3.42Å
780E74.8Confident71.9Confident111 Ų111102.1 Ų102.152%0.51950%0.499SS..Hα-helixtrans-62-37.5173.9-73179.3166.100111I776 Q777 Q783 A784I776-E780 HydrophobicContact CG2-CG 3.98Å; I776-E780 VanDerWaalsContact CG2-OE1 3.32Å; I776-E780 WeakPolarHBondContact CG2-OE1 3.44Å; I776-E780 WeakPolarHBondContact O-CB 3.44Å; I776-E780 WeakPolarHBondContact O-CG 3.4Å; I776-E780 PolarHBondContact O-N 3.08Å; Q777-E780 PolarHBondContact O-N 2.73Å; E780-Q783 CarbonylContact O-C 3.57Å; E780-Q783 PolarHBondContact O-N 2.99Å; E780-A784 WeakPolarHBondContact O-CA 3.37Å; E780-A784 WeakPolarHBondContact O-CB 3.4Å; E780-A784 PolarHBondContact O-N 2.99Å
781E80Confident73.9Confident96 Ų9698.1 Ų98.145%0.44948%0.483SS..Hα-helixtrans-69.9-35.9173.4-166.2-154.8-178.200111.5Q777 I779 A784 R785Q777-E781 WeakPolarHBondContact O-CB 3.12Å; Q777-E781 PolarHBondContact O-N 3.24Å; I779-E781 VanDerWaalsContact C-N 3.28Å; I779-E781 PolarHBondContact O-N 3.12Å; E781-A784 PolarHBondContact O-N 3.36Å; E781-R785 VanDerWaalsContact O-CB 3.3Å; E781-R785 WeakPolarHBondContact O-CB 3.44Å; E781-R785 VanDerWaalsContact O-CG 3.31Å; E781-R785 WeakPolarHBondContact O-CG 3.18Å; E781-R785 PolarHBondContact O-N 3.15Å; E781-R785 PolarHBondContact O-NE 3.11Å; E781-R785 VanDerWaalsContact O-NE 3.13Å; E781-R785 IonicContact OE1-CZ 3.45Å; E781-R785 IonicContact OE1-NH1 3.84Å; E781-R785 PolarHBondContact OE1-NH1 3.45Å; E781-R785 IonicContact OE1-NH2 2.59Å; E781-R785 IonicContact OE2-CZ 3.39Å; E781-R785 IonicContact OE2-NH1 3.68Å; E781-R785 PolarHBondContact OE2-NH1 3.26Å; E781-R785 IonicContact OE2-NH2 2.74Å; E781-R785 PolarHBondContact OE2-NH2 3.33Å
782K79.4Confident76Confident116 Ų11696.5 Ų96.550%0.50448%0.482SS..Hα-helixtrans-66.6-38.5169.3-80.4171.9178.7160.50112.1E778 I779 A786E778-K782 WeakPolarHBondContact O-CB 3.37Å; E778-K782 WeakPolarHBondContact O-CG 3.13Å; E778-K782 PolarHBondContact O-N 2.72Å; E778-K782 WeakPolarHBondContact OE1-CE 3.43Å; E778-K782 IonicContact OE1-NZ 2.72Å; E778-K782 PolarHBondContact OE1-NZ 3.23Å; I779-K782 CarbonylContact O-C 3.55Å; I779-K782 PolarHBondContact O-N 3.48Å; K782-A786 VanDerWaalsContact O-CB 3.29Å; K782-A786 WeakPolarHBondContact O-CB 3.46Å; K782-A786 PolarHBondContact O-N 2.71Å
783Q79.7Confident77.6Confident113 Ų11398.8 Ų98.853%0.52848%0.484SS..Hα-helixtrans-75-27.7174.2-69.2-175.612.100113I779 E780 R787I779-Q783 WeakPolarHBondContact O-CG 3.16Å; I779-Q783 PolarHBondContact O-N 3.42Å; E780-Q783 CarbonylContact O-C 3.57Å; E780-Q783 PolarHBondContact O-N 2.99Å; Q783-R787 WeakPolarHBondContact O-CB 3.4Å; Q783-R787 VanDerWaalsContact O-CG 3.3Å; Q783-R787 WeakPolarHBondContact O-CG 3.41Å; Q783-R787 PolarHBondContact O-N 3.44Å; Q783-R787 PolarHBondContact O-NE 3.44Å
784A82.6Confident78.8Confident37 Ų37100.6 Ų100.631%0.30648%0.484SS..Hα-helixtrans-70.3-52170.800000109E780 E781 A786 R787 V788E780-A784 WeakPolarHBondContact O-CA 3.37Å; E780-A784 WeakPolarHBondContact O-CB 3.4Å; E780-A784 PolarHBondContact O-N 2.99Å; E781-A784 PolarHBondContact O-N 3.36Å; A784-A786 VanDerWaalsContact C-N 3.26Å; A784-A786 PolarHBondContact O-N 3.2Å; A784-R787 CarbonylContact O-C 3.58Å; A784-R787 WeakPolarHBondContact O-CA 3.26Å; A784-R787 PolarHBondContact O-N 2.77Å; A784-V788 WeakPolarHBondContact O-CB 3.5Å; A784-V788 VanDerWaalsContact O-CG2 3.32Å; A784-V788 WeakPolarHBondContact O-CG2 3.25Å; A784-V788 PolarHBondContact O-N 3.16Å
785R83.2Confident79.8Confident112 Ų112100.5 Ų100.542%0.42348%0.482SS..Hα-helixtrans-51.9-42.9170.2-77.4176.3-73-129.2-3.5112.1E781 L789E781-R785 VanDerWaalsContact O-CB 3.3Å; E781-R785 WeakPolarHBondContact O-CB 3.44Å; E781-R785 VanDerWaalsContact O-CG 3.31Å; E781-R785 WeakPolarHBondContact O-CG 3.18Å; E781-R785 PolarHBondContact O-N 3.15Å; E781-R785 PolarHBondContact O-NE 3.11Å; E781-R785 VanDerWaalsContact O-NE 3.13Å; E781-R785 IonicContact OE1-CZ 3.45Å; E781-R785 IonicContact OE1-NH1 3.84Å; E781-R785 PolarHBondContact OE1-NH1 3.45Å; E781-R785 IonicContact OE1-NH2 2.59Å; E781-R785 IonicContact OE2-CZ 3.39Å; E781-R785 IonicContact OE2-NH1 3.68Å; E781-R785 PolarHBondContact OE2-NH1 3.26Å; E781-R785 IonicContact OE2-NH2 2.74Å; E781-R785 PolarHBondContact OE2-NH2 3.33Å; R785-L789 WeakPolarHBondContact O-CB 3.49Å; R785-L789 PolarHBondContact O-N 2.69Å
786A79.7Confident81.2Confident39 Ų39102.7 Ų102.732%0.32249%0.488SS..Hα-helixtrans-73.5-23.4176.800000114.6K782 A784 R790K782-A786 VanDerWaalsContact O-CB 3.29Å; K782-A786 WeakPolarHBondContact O-CB 3.46Å; K782-A786 PolarHBondContact O-N 2.71Å; A784-A786 VanDerWaalsContact C-N 3.26Å; A784-A786 PolarHBondContact O-N 3.2Å; A786-R790 WeakPolarHBondContact O-CD 3.19Å; A786-R790 WeakPolarHBondContact O-CG 3.49Å; A786-R790 PolarHBondContact O-N 3.39Å; A786-R790 PolarHBondContact O-NE 3.26Å
787R85.5Confident82.4Confident150 Ų150107.3 Ų107.357%0.56650%0.501SS*.Hα-helixtrans-80.2-44.9171.2-82.6-179-74.3175.2-3.9111.3Q783 A784 R790 Q791Q783-R787 WeakPolarHBondContact O-CB 3.4Å; Q783-R787 VanDerWaalsContact O-CG 3.3Å; Q783-R787 WeakPolarHBondContact O-CG 3.41Å; Q783-R787 PolarHBondContact O-N 3.44Å; Q783-R787 PolarHBondContact O-NE 3.44Å; A784-R787 CarbonylContact O-C 3.58Å; A784-R787 WeakPolarHBondContact O-CA 3.26Å; A784-R787 PolarHBondContact O-N 2.77Å; R787-R790 CarbonylContact O-C 3.49Å; R787-R790 PolarHBondContact O-N 2.93Å; R787-Q791 PolarHBondContact O-N 2.76Å
788V85.8Confident82.8Confident74 Ų74105 Ų10545%0.44850%0.496SS..Hα-helixtrans-58.3-46.6172.1170.50000110.2A784 R790 Q791 Q792A784-V788 WeakPolarHBondContact O-CB 3.5Å; A784-V788 VanDerWaalsContact O-CG2 3.32Å; A784-V788 WeakPolarHBondContact O-CG2 3.25Å; A784-V788 PolarHBondContact O-N 3.16Å; V788-R790 VanDerWaalsContact C-N 3.33Å; V788-R790 PolarHBondContact O-N 2.85Å; V788-Q791 CarbonylContact O-C 3.55Å; V788-Q791 PolarHBondContact O-N 2.91Å; V788-Q791 VanDerWaalsContact O-N 3.15Å; V788-Q792 HydrophobicContact CG1-CG 4.43Å; V788-Q792 WeakPolarHBondContact O-CB 3.05Å; V788-Q792 WeakPolarHBondContact O-CG 3.11Å; V788-Q792 PolarHBondContact O-N 2.75Å
789L88.7Confident83.3Confident109 Ų109106.8 Ų106.857%0.57151%0.505SS*.Hα-helixtrans-65.4-34.9177-169.569.5000112.1R785 H793R785-L789 WeakPolarHBondContact O-CB 3.49Å; R785-L789 PolarHBondContact O-N 2.69Å; L789-H793 WeakPolarHBondContact O-CB 3.39Å; L789-H793 PolarHBondContact O-N 2.93Å
790R86.4Confident84Confident188 Ų188109 Ų10971%0.70951%0.509SS*.Hα-helixtrans-69.3-38.2171.1-75174.2-145.7-140.63.2112.3A786 R787 V788 H793 L794A786-R790 WeakPolarHBondContact O-CD 3.19Å; A786-R790 WeakPolarHBondContact O-CG 3.49Å; A786-R790 PolarHBondContact O-N 3.39Å; A786-R790 PolarHBondContact O-NE 3.26Å; R787-R790 CarbonylContact O-C 3.49Å; R787-R790 PolarHBondContact O-N 2.93Å; V788-R790 VanDerWaalsContact C-N 3.33Å; V788-R790 PolarHBondContact O-N 2.85Å; R790-H793 PolarHBondContact O-N 3.01Å; R790-L794 WeakPolarHBondContact O-CB 3.5Å; R790-L794 PolarHBondContact O-N 2.96Å
791Q86.2Confident84.6Confident123 Ų123107.9 Ų107.958%0.57551%0.509SS*.Hα-helixtrans-65.8-44.9173.6-81.9178.6-53.400110.8R787 V788 L794 L795R787-Q791 PolarHBondContact O-N 2.76Å; V788-Q791 CarbonylContact O-C 3.55Å; V788-Q791 PolarHBondContact O-N 2.91Å; V788-Q791 VanDerWaalsContact O-N 3.15Å; Q791-L794 PolarHBondContact O-N 2.64Å; Q791-L795 WeakPolarHBondContact O-CB 3.44Å; Q791-L795 WeakPolarHBondContact O-CG 3.35Å; Q791-L795 PolarHBondContact O-N 3.05Å
792Q86.5Confident84.9Confident112 Ų112110 Ų11052%0.52352%0.519SS..Hα-helixtrans-57.4-51.2171.6-74.9177.3-52.300110.9V788 L794 L795 E796V788-Q792 HydrophobicContact CG1-CG 4.43Å; V788-Q792 WeakPolarHBondContact O-CB 3.05Å; V788-Q792 WeakPolarHBondContact O-CG 3.11Å; V788-Q792 PolarHBondContact O-N 2.75Å; Q792-L794 PolarHBondContact O-N 2.74Å; Q792-L795 PolarHBondContact O-N 3.49Å; Q792-E796 WeakPolarHBondContact O-CB 3.44Å; Q792-E796 PolarHBondContact O-N 2.93Å
793H84.7Confident85.3Confident119 Ų119107.8 Ų107.855%0.55151%0.51SS*.Hα-helixtrans-69.4-21.6-178.1-156.2-37.5000113.2L789 R790 R797L789-H793 WeakPolarHBondContact O-CB 3.39Å; L789-H793 PolarHBondContact O-N 2.93Å; R790-H793 PolarHBondContact O-N 3.01Å; H793-R797 VanDerWaalsContact O-CB 3.25Å; H793-R797 WeakPolarHBondContact O-CB 3.49Å; H793-R797 PolarHBondContact O-N 3.46Å
794L86.3Confident85.5Confident109 Ų109107.6 Ų107.657%0.57151%0.512SS*.Hα-helixtrans-80-45.9169.5-176.666.2000111.4R790 Q791 Q792 R797 T798R790-L794 WeakPolarHBondContact O-CB 3.5Å; R790-L794 PolarHBondContact O-N 2.96Å; Q791-L794 PolarHBondContact O-N 2.64Å; Q792-L794 PolarHBondContact O-N 2.74Å; L794-R797 CarbonylContact O-C 3.57Å; L794-R797 WeakPolarHBondContact O-CA 3.47Å; L794-R797 WeakPolarHBondContact O-CB 3.48Å; L794-R797 PolarHBondContact O-N 3.2Å; L794-R797 VanDerWaalsContact O-N 3.1Å; L794-T798 PolarHBondContact O-N 3.41Å; L794-T798 PolarHBondContact O-OG1 3.16Å
795L86.3Confident85.7Confident114 Ų114108.6 Ų108.660%0.59752%0.517SS*.Hα-helixtrans-60.1-50.3176.5-76167.5000110.5Q791 Q792 R797 T798 E799Q791-L795 WeakPolarHBondContact O-CB 3.44Å; Q791-L795 WeakPolarHBondContact O-CG 3.35Å; Q791-L795 PolarHBondContact O-N 3.05Å; Q792-L795 PolarHBondContact O-N 3.49Å; L795-R797 PolarHBondContact O-N 3.31Å; L795-T798 VanDerWaalsContact CA-OG1 3.32Å; L795-T798 WeakPolarHBondContact CA-OG1 3.19Å; L795-T798 CarbonylContact O-C 3.53Å; L795-T798 PolarHBondContact O-N 3.26Å; L795-T798 VanDerWaalsContact O-N 3.11Å; L795-T798 PolarHBondContact O-OG1 2.83Å; L795-E799 WeakPolarHBondContact O-CB 3.2Å; L795-E799 PolarHBondContact O-N 3.02Å
796E88.2Confident86.1Confident90 Ų90109.3 Ų109.342%0.42152%0.523SS..Hα-helixtrans-62.7-27.1174-168.9-150-107.500111.6Q792 R800Q792-E796 WeakPolarHBondContact O-CB 3.44Å; Q792-E796 PolarHBondContact O-N 2.93Å; E796-R800 VanDerWaalsContact O-CB 3.28Å; E796-R800 WeakPolarHBondContact O-CB 3.22Å; E796-R800 VanDerWaalsContact O-CG 3.26Å; E796-R800 WeakPolarHBondContact O-CG 2.97Å; E796-R800 PolarHBondContact O-N 3.45Å; E796-R800 PolarHBondContact O-NE 3.34Å; E796-R800 IonicContact OE2-CZ 3.74Å; E796-R800 IonicContact OE2-NE 3.86Å; E796-R800 PolarHBondContact OE2-NE 3.34Å; E796-R800 IonicContact OE2-NH2 3.57Å; E796-R800 PolarHBondContact OE2-NH2 2.91Å
797R84.5Confident86.7Confident159 Ų159112.7 Ų112.760%0.653%0.531SS*.Hα-helixtrans-76.3-42.6171-178.8-179.9175.194.33.1111.6H793 L794 L795 E799 R800 V801H793-R797 VanDerWaalsContact O-CB 3.25Å; H793-R797 WeakPolarHBondContact O-CB 3.49Å; H793-R797 PolarHBondContact O-N 3.46Å; L794-R797 CarbonylContact O-C 3.57Å; L794-R797 WeakPolarHBondContact O-CA 3.47Å; L794-R797 WeakPolarHBondContact O-CB 3.48Å; L794-R797 PolarHBondContact O-N 3.2Å; L794-R797 VanDerWaalsContact O-N 3.1Å; L795-R797 PolarHBondContact O-N 3.31Å; R797-E799 VanDerWaalsContact C-N 3.32Å; R797-R800 PolarHBondContact O-N 3.12Å; R797-V801 WeakPolarHBondContact O-CG2 3.25Å; R797-V801 PolarHBondContact O-N 3.05Å
798T83Confident86.9Confident79 Ų79109.2 Ų109.249%0.48553%0.526SS..Hα-helixtrans-67.7-34.7174.545.40000111.7L794 L795 V801 H802L794-T798 PolarHBondContact O-N 3.41Å; L794-T798 PolarHBondContact O-OG1 3.16Å; L795-T798 VanDerWaalsContact CA-OG1 3.32Å; L795-T798 WeakPolarHBondContact CA-OG1 3.19Å; L795-T798 CarbonylContact O-C 3.53Å; L795-T798 PolarHBondContact O-N 3.26Å; L795-T798 VanDerWaalsContact O-N 3.11Å; L795-T798 PolarHBondContact O-OG1 2.83Å; T798-V801 CarbonylContact O-C 3.52Å; T798-V801 PolarHBondContact O-N 2.95Å; T798-H802 VanDerWaalsContact O-CB 3.28Å; T798-H802 WeakPolarHBondContact O-CB 3.35Å; T798-H802 PolarHBondContact O-N 3.11Å
799E85.4Confident87Confident129 Ų129110 Ų11060%0.60353%0.528SS*.Hα-helixtrans-64.9-48.5171.7179.7177.9-147.900110.2L795 R797 V801 H802 E803L795-E799 WeakPolarHBondContact O-CB 3.2Å; L795-E799 PolarHBondContact O-N 3.02Å; R797-E799 VanDerWaalsContact C-N 3.32Å; E799-V801 VanDerWaalsContact C-N 3.27Å; E799-V801 PolarHBondContact O-N 2.93Å; E799-H802 CarbonylContact O-C 3.54Å; E799-H802 PolarHBondContact O-N 3.21Å; E799-H802 VanDerWaalsContact O-N 3.13Å; E799-E803 WeakPolarHBondContact O-CB 3.43Å; E799-E803 PolarHBondContact O-N 3.33Å
800R87.4Confident87Confident111 Ų111108.9 Ų108.942%0.41952%0.519SS..Hα-helixtrans-61-32.7172.2-80176.4-73.3137.5-3.7113.3E796 R797 L804E796-R800 VanDerWaalsContact O-CB 3.28Å; E796-R800 WeakPolarHBondContact O-CB 3.22Å; E796-R800 VanDerWaalsContact O-CG 3.26Å; E796-R800 WeakPolarHBondContact O-CG 2.97Å; E796-R800 PolarHBondContact O-N 3.45Å; E796-R800 PolarHBondContact O-NE 3.34Å; E796-R800 IonicContact OE2-CZ 3.74Å; E796-R800 IonicContact OE2-NE 3.86Å; E796-R800 PolarHBondContact OE2-NE 3.34Å; E796-R800 IonicContact OE2-NH2 3.57Å; E796-R800 PolarHBondContact OE2-NH2 2.91Å; R797-R800 PolarHBondContact O-N 3.12Å; R800-L804 VanDerWaalsContact O-CB 3.26Å; R800-L804 WeakPolarHBondContact O-CB 3.33Å; R800-L804 WeakPolarHBondContact O-CD1 3.26Å; R800-L804 WeakPolarHBondContact O-CG 3.47Å; R800-L804 PolarHBondContact O-N 2.92Å
801V86.7Confident87.3Confident87 Ų87104 Ų10453%0.52751%0.51SS..Hα-helixtrans-72.5-39.1172.8168.90000111.6R797 T798 E799 L804 S805R797-V801 WeakPolarHBondContact O-CG2 3.25Å; R797-V801 PolarHBondContact O-N 3.05Å; T798-V801 CarbonylContact O-C 3.52Å; T798-V801 PolarHBondContact O-N 2.95Å; E799-V801 VanDerWaalsContact C-N 3.27Å; E799-V801 PolarHBondContact O-N 2.93Å; V801-L804 PolarHBondContact O-N 3.49Å; V801-S805 PolarHBondContact O-N 3.02Å
802H86.9Confident87.4Confident139 Ų139103.2 Ų103.264%0.64451%0.506SS*.Hα-helixtrans-70-36.4176.8-168.5-53.1000111.7T798 E799 S805 K806T798-H802 VanDerWaalsContact O-CB 3.28Å; T798-H802 WeakPolarHBondContact O-CB 3.35Å; T798-H802 PolarHBondContact O-N 3.11Å; E799-H802 CarbonylContact O-C 3.54Å; E799-H802 PolarHBondContact O-N 3.21Å; E799-H802 VanDerWaalsContact O-N 3.13Å; H802-S805 PolarHBondContact O-N 2.89Å; H802-K806 WeakPolarHBondContact O-CB 3.49Å; H802-K806 PolarHBondContact O-N 2.55Å
803E87.3Confident87.6Confident71 Ų71101.6 Ų101.633%0.33250%0.501SS..Hα-helixtrans-70.1-35.4173177.366.5-177.800111.1E799 K806 K807E799-E803 WeakPolarHBondContact O-CB 3.43Å; E799-E803 PolarHBondContact O-N 3.33Å; E803-K806 IonicContact OE2-NZ 2.72Å; E803-K807 HydrophobicContact CG-CD 4.4Å; E803-K807 WeakPolarHBondContact O-CB 3.49Å; E803-K807 WeakPolarHBondContact O-CD 3.45Å; E803-K807 VanDerWaalsContact O-CG 3.24Å; E803-K807 WeakPolarHBondContact O-CG 3.4Å; E803-K807 PolarHBondContact O-N 3.1Å; E803-K807 WeakPolarHBondContact OE1-CE 3.22Å; E803-K807 IonicContact OE1-NZ 3.66Å; E803-K807 PolarHBondContact OE1-NZ 3.26Å
804L84.2Confident87.9Confident109 Ų109100.3 Ų100.357%0.57150%0.495SS*.Hα-helixtrans-70.5-39.5169.8-78.1168.6000112.3R800 V801 K807 V808R800-L804 VanDerWaalsContact O-CB 3.26Å; R800-L804 WeakPolarHBondContact O-CB 3.33Å; R800-L804 WeakPolarHBondContact O-CD1 3.26Å; R800-L804 WeakPolarHBondContact O-CG 3.47Å; R800-L804 PolarHBondContact O-N 2.92Å; V801-L804 PolarHBondContact O-N 3.49Å; L804-K807 PolarHBondContact O-N 3.47Å; L804-V808 WeakPolarHBondContact O-CB 3.11Å; L804-V808 WeakPolarHBondContact O-CG2 3.49Å; L804-V808 PolarHBondContact O-N 3.46Å
805S86Confident88.1Confident57 Ų57101.2 Ų101.240%0.39949%0.494SS..Hα-helixtrans-60-54.8171.6-166.60000109.4V801 H802 K807 V808 D809V801-S805 PolarHBondContact O-N 3.02Å; H802-S805 PolarHBondContact O-N 2.89Å; S805-K807 PolarHBondContact O-N 3.15Å; S805-K807 VanDerWaalsContact O-N 3.1Å; S805-V808 CarbonylContact O-C 3.58Å; S805-V808 WeakPolarHBondContact O-CA 3.45Å; S805-V808 WeakPolarHBondContact O-CB 3.48Å; S805-V808 PolarHBondContact O-N 2.87Å; S805-D809 WeakPolarHBondContact O-CB 3.28Å; S805-D809 VanDerWaalsContact O-CG 3.31Å; S805-D809 PolarHBondContact O-N 3.49Å; S805-D809 PolarHBondContact OG-OD2 2.78Å
806K92Very high88.1Confident128 Ų128104 Ų10456%0.55750%0.497SS*.Hα-helixtrans-51.5-37.1175.4-175-174.4174.7-167.80112.8H802 E803 E810H802-K806 WeakPolarHBondContact O-CB 3.49Å; H802-K806 PolarHBondContact O-N 2.55Å; E803-K806 IonicContact OE2-NZ 2.72Å; K806-E810 WeakPolarHBondContact O-CB 3.48Å; K806-E810 PolarHBondContact O-N 3.47Å
807K93.4Very high88.4Confident110 Ų110103.3 Ų103.348%0.47850%0.495SS..Hα-helixtrans-73.5-35.1173.3-77.9165.7-177.5158.10113.7E803 L804 S805 V811E803-K807 HydrophobicContact CG-CD 4.4Å; E803-K807 WeakPolarHBondContact O-CB 3.49Å; E803-K807 WeakPolarHBondContact O-CD 3.45Å; E803-K807 VanDerWaalsContact O-CG 3.24Å; E803-K807 WeakPolarHBondContact O-CG 3.4Å; E803-K807 PolarHBondContact O-N 3.1Å; E803-K807 WeakPolarHBondContact OE1-CE 3.22Å; E803-K807 IonicContact OE1-NZ 3.66Å; E803-K807 PolarHBondContact OE1-NZ 3.26Å; L804-K807 PolarHBondContact O-N 3.47Å; S805-K807 PolarHBondContact O-N 3.15Å; S805-K807 VanDerWaalsContact O-N 3.1Å; K807-V811 WeakPolarHBondContact O-CB 3.34Å; K807-V811 VanDerWaalsContact O-CG2 3.24Å; K807-V811 WeakPolarHBondContact O-CG2 3.29Å; K807-V811 PolarHBondContact O-N 3.21Å
808V90.2Very high88.8Confident77 Ų77100.9 Ų100.947%0.46749%0.494SS..Hα-helixtrans-69.7-42172.7165.30000110.8L804 S805 V811 H812L804-V808 WeakPolarHBondContact O-CB 3.11Å; L804-V808 WeakPolarHBondContact O-CG2 3.49Å; L804-V808 PolarHBondContact O-N 3.46Å; S805-V808 CarbonylContact O-C 3.58Å; S805-V808 WeakPolarHBondContact O-CA 3.45Å; S805-V808 WeakPolarHBondContact O-CB 3.48Å; S805-V808 PolarHBondContact O-N 2.87Å; V808-V811 CarbonylContact O-C 3.58Å; V808-V811 PolarHBondContact O-N 2.71Å; V808-H812 WeakPolarHBondContact O-CB 3.46Å; V808-H812 PolarHBondContact O-CD2 2.94Å; V808-H812 PolarHBondContact O-N 3.25Å
809D86.6Confident88.9Confident90 Ų90102.5 Ų102.548%0.48150%0.499SS..Hα-helixtrans-64.4-42.2174.3-66.6-51.5000111S805 H812 L813S805-D809 WeakPolarHBondContact O-CB 3.28Å; S805-D809 VanDerWaalsContact O-CG 3.31Å; S805-D809 PolarHBondContact O-N 3.49Å; S805-D809 PolarHBondContact OG-OD2 2.78Å; D809-H812 CarbonylContact O-C 3.47Å; D809-H812 PolarHBondContact O-N 2.78Å; D809-L813 VanDerWaalsContact O-CB 3.27Å; D809-L813 WeakPolarHBondContact O-CB 3.37Å; D809-L813 PolarHBondContact O-N 3.4Å
810E89.8Confident89.2Confident85 Ų85102 Ų10240%0.39750%0.496SS..Hα-helixtrans-62.8-43.4170.4177.158.4-155.200111.7K806 H812 L813 Q814K806-E810 WeakPolarHBondContact O-CB 3.48Å; K806-E810 PolarHBondContact O-N 3.47Å; E810-H812 VanDerWaalsContact C-N 3.34Å; E810-H812 PolarHBondContact O-N 2.97Å; E810-L813 CarbonylContact O-C 3.58Å; E810-L813 WeakPolarHBondContact O-CB 3.45Å; E810-L813 PolarHBondContact O-N 3.17Å; E810-Q814 HydrophobicContact CG-CG 4.49Å; E810-Q814 WeakPolarHBondContact O-CB 3.32Å; E810-Q814 VanDerWaalsContact O-CG 3.26Å; E810-Q814 WeakPolarHBondContact O-CG 3.28Å; E810-Q814 PolarHBondContact O-N 3.45Å; E810-Q814 WeakPolarHBondContact OE1-CG 3.4Å; E810-Q814 PolarHBondContact OE1-NE2 3.16Å
811V91.1Very high89.5Confident86 Ų86101.8 Ų101.852%0.52150%0.5SS..Hα-helixtrans-66.2-35.5174.5165.50000111.7K807 V808 K815K807-V811 WeakPolarHBondContact O-CB 3.34Å; K807-V811 VanDerWaalsContact O-CG2 3.24Å; K807-V811 WeakPolarHBondContact O-CG2 3.29Å; K807-V811 PolarHBondContact O-N 3.21Å; V808-V811 CarbonylContact O-C 3.58Å; V808-V811 PolarHBondContact O-N 2.71Å; V811-K815 WeakPolarHBondContact O-CB 3.29Å; V811-K815 PolarHBondContact O-N 2.91Å
812H88.1Confident89.8Confident106 Ų106106.2 Ų106.249%0.49151%0.507SS..Hα-helixtrans-68.3-37.7172.2-85.7-70.4000111.9V808 D809 E810 K815 R816V808-H812 WeakPolarHBondContact O-CB 3.46Å; V808-H812 PolarHBondContact O-CD2 2.94Å; V808-H812 PolarHBondContact O-N 3.25Å; D809-H812 CarbonylContact O-C 3.47Å; D809-H812 PolarHBondContact O-N 2.78Å; E810-H812 VanDerWaalsContact C-N 3.34Å; E810-H812 PolarHBondContact O-N 2.97Å; H812-K815 PolarHBondContact O-N 3.31Å; H812-R816 VanDerWaalsContact O-CB 3.23Å; H812-R816 WeakPolarHBondContact O-CB 3.49Å; H812-R816 PolarHBondContact O-N 3.47Å
813L91.6Very high89.8Confident78 Ų78106.8 Ų106.841%0.40850%0.504SS..Hα-helixtrans-65.7-50.3174-18059.4000110.5D809 E810 K815 R816 I817D809-L813 VanDerWaalsContact O-CB 3.27Å; D809-L813 WeakPolarHBondContact O-CB 3.37Å; D809-L813 PolarHBondContact O-N 3.4Å; E810-L813 CarbonylContact O-C 3.58Å; E810-L813 WeakPolarHBondContact O-CB 3.45Å; E810-L813 PolarHBondContact O-N 3.17Å; L813-K815 VanDerWaalsContact C-N 3.31Å; L813-K815 PolarHBondContact O-N 3.01Å; L813-R816 CarbonylContact O-C 3.59Å; L813-R816 PolarHBondContact O-N 3.31Å; L813-R816 VanDerWaalsContact O-N 3.12Å; L813-I817 HydrophobicContact CD1-CD1 4.02Å; L813-I817 HydrophobicContact CD1-CG1 4.31Å; L813-I817 HydrophobicContact CG-CD1 3.85Å; L813-I817 WeakPolarHBondContact O-CB 3.39Å; L813-I817 VanDerWaalsContact O-CG1 3.25Å; L813-I817 WeakPolarHBondContact O-CG1 3.43Å; L813-I817 PolarHBondContact O-N 3.05Å
814Q91.2Very high90.1Very high93 Ų93104.7 Ų104.744%0.43550%0.497SS..Hα-helixtrans-57.8-40.4173.1-72.2176.410.600112E810 I817 L818E810-Q814 HydrophobicContact CG-CG 4.49Å; E810-Q814 WeakPolarHBondContact O-CB 3.32Å; E810-Q814 VanDerWaalsContact O-CG 3.26Å; E810-Q814 WeakPolarHBondContact O-CG 3.28Å; E810-Q814 PolarHBondContact O-N 3.45Å; E810-Q814 WeakPolarHBondContact OE1-CG 3.4Å; E810-Q814 PolarHBondContact OE1-NE2 3.16Å; Q814-I817 PolarHBondContact O-N 3Å; Q814-L818 VanDerWaalsContact O-CB 3.31Å; Q814-L818 WeakPolarHBondContact O-CB 3.49Å; Q814-L818 WeakPolarHBondContact O-CG 3.23Å; Q814-L818 PolarHBondContact O-N 3.11Å
815K90Very high90.5Very high127 Ų127102.2 Ų102.255%0.55249%0.488SS*.Hα-helixtrans-68.6-37.7175.2-171173.3-176.8177.20112.1V811 H812 L813 L818 L819V811-K815 WeakPolarHBondContact O-CB 3.29Å; V811-K815 PolarHBondContact O-N 2.91Å; H812-K815 PolarHBondContact O-N 3.31Å; L813-K815 VanDerWaalsContact C-N 3.31Å; L813-K815 PolarHBondContact O-N 3.01Å; K815-L818 PolarHBondContact O-N 3.05Å; K815-L819 HydrophobicContact CG-CD1 4.49Å; K815-L819 WeakPolarHBondContact O-CB 3.45Å; K815-L819 VanDerWaalsContact O-CG 3.27Å; K815-L819 WeakPolarHBondContact O-CG 3.44Å; K815-L819 PolarHBondContact O-N 3.04Å
816R87.7Confident90.5Very high174 Ų174103.9 Ų103.966%0.65749%0.492SS*.Hα-helixtrans-68.5-39174.2-167.2-176.6-66.7153.6-1111H812 L813 L819 H820H812-R816 VanDerWaalsContact O-CB 3.23Å; H812-R816 WeakPolarHBondContact O-CB 3.49Å; H812-R816 PolarHBondContact O-N 3.47Å; L813-R816 CarbonylContact O-C 3.59Å; L813-R816 PolarHBondContact O-N 3.31Å; L813-R816 VanDerWaalsContact O-N 3.12Å; R816-L819 PolarHBondContact O-N 3.3Å; R816-H820 VanDerWaalsContact O-CB 3.27Å; R816-H820 WeakPolarHBondContact O-CB 3.37Å; R816-H820 PolarHBondContact O-N 3.48Å
817I93.6Very high90.5Very high74 Ų74101 Ų10138%0.37948%0.48SS..Hα-helixtrans-65.2-45.5172-70.8167000110.5L813 Q814 L819 H820 Q821L813-I817 HydrophobicContact CD1-CD1 4.02Å; L813-I817 HydrophobicContact CD1-CG1 4.31Å; L813-I817 HydrophobicContact CG-CD1 3.85Å; L813-I817 WeakPolarHBondContact O-CB 3.39Å; L813-I817 VanDerWaalsContact O-CG1 3.25Å; L813-I817 WeakPolarHBondContact O-CG1 3.43Å; L813-I817 PolarHBondContact O-N 3.05Å; Q814-I817 PolarHBondContact O-N 3Å; I817-L819 PolarHBondContact O-N 3.29Å; I817-H820 CarbonylContact O-C 3.59Å; I817-H820 PolarHBondContact O-N 2.84Å; I817-Q821 HydrophobicContact CG2-CG 4.17Å; I817-Q821 VanDerWaalsContact O-CB 3.32Å; I817-Q821 WeakPolarHBondContact O-CB 3.14Å; I817-Q821 VanDerWaalsContact O-CG 3.26Å; I817-Q821 WeakPolarHBondContact O-CG 3.45Å; I817-Q821 PolarHBondContact O-N 3.41Å
818L91.9Very high90.4Very high109 Ų109103.1 Ų103.157%0.57149%0.486SS*.Hα-helixtrans-62.8-40.4175.6-85165.3000112.1Q814 K815 R822Q814-L818 VanDerWaalsContact O-CB 3.31Å; Q814-L818 WeakPolarHBondContact O-CB 3.49Å; Q814-L818 WeakPolarHBondContact O-CG 3.23Å; Q814-L818 PolarHBondContact O-N 3.11Å; K815-L818 PolarHBondContact O-N 3.05Å; L818-R822 WeakPolarHBondContact O-CB 3.32Å; L818-R822 PolarHBondContact O-N 3.3Å
819L86Confident90.6Very high112 Ų112107.8 Ų107.859%0.58650%0.495SS*.Hα-helixtrans-66.3-40.1173.1-74.5169.7000111.6K815 R816 I817 R822 R823K815-L819 HydrophobicContact CG-CD1 4.49Å; K815-L819 WeakPolarHBondContact O-CB 3.45Å; K815-L819 VanDerWaalsContact O-CG 3.27Å; K815-L819 WeakPolarHBondContact O-CG 3.44Å; K815-L819 PolarHBondContact O-N 3.04Å; R816-L819 PolarHBondContact O-N 3.3Å; I817-L819 PolarHBondContact O-N 3.29Å; L819-R822 PolarHBondContact O-N 2.75Å; L819-R823 WeakPolarHBondContact O-CB 3.36Å; L819-R823 PolarHBondContact O-N 3.09Å
820H92.1Very high90.7Very high118 Ų118108.8 Ų108.855%0.54650%0.499SS..Hα-helixtrans-68.5-42.6175.7-173.161.6000111.8R816 I817 R822 R823 S824R816-H820 VanDerWaalsContact O-CB 3.27Å; R816-H820 WeakPolarHBondContact O-CB 3.37Å; R816-H820 PolarHBondContact O-N 3.48Å; I817-H820 CarbonylContact O-C 3.59Å; I817-H820 PolarHBondContact O-N 2.84Å; H820-R822 PolarHBondContact O-N 2.69Å; H820-R823 CarbonylContact O-C 3.55Å; H820-R823 PolarHBondContact O-N 3.49Å; H820-S824 WeakPolarHBondContact O-CB 3.3Å; H820-S824 PolarHBondContact O-N 2.72Å; H820-S824 PolarHBondContact O-OG 3.25Å
821Q92.9Very high90.7Very high108 Ų108110.4 Ų110.451%0.50551%0.507SS..Hα-helixtrans-62.3-41.7172.3-74.9176-2.600111.8I817 S824 C825I817-Q821 HydrophobicContact CG2-CG 4.17Å; I817-Q821 VanDerWaalsContact O-CB 3.32Å; I817-Q821 WeakPolarHBondContact O-CB 3.14Å; I817-Q821 VanDerWaalsContact O-CG 3.26Å; I817-Q821 WeakPolarHBondContact O-CG 3.45Å; I817-Q821 PolarHBondContact O-N 3.41Å; Q821-S824 PolarHBondContact O-N 2.95Å; Q821-C825 WeakPolarHBondContact O-CB 3.39Å; Q821-C825 PolarHBondContact O-N 3.04Å
822R92.5Very high90.8Very high179 Ų179107.9 Ų107.968%0.67550%0.495SS*.Hα-helixtrans-66.2-41.6175.1-178.3172.8175.6162.9-1.8111.1L818 L819 H820 C825 L826L818-R822 WeakPolarHBondContact O-CB 3.32Å; L818-R822 PolarHBondContact O-N 3.3Å; L819-R822 PolarHBondContact O-N 2.75Å; H820-R822 PolarHBondContact O-N 2.69Å; R822-C825 PolarHBondContact O-N 2.88Å; R822-L826 HydrophobicContact CG-CD1 4.23Å; R822-L826 WeakPolarHBondContact O-CB 3.22Å; R822-L826 VanDerWaalsContact O-CG 3.31Å; R822-L826 WeakPolarHBondContact O-CG 3.49Å; R822-L826 PolarHBondContact O-N 2.83Å
823R88.9Confident90.9Very high151 Ų151105.7 Ų105.757%0.5750%0.496SS*.Hα-helixtrans-59.4-58.9170.3-179.9-179.6164.3174.3-2.4109.7L819 H820 C825 L826 E827L819-R823 WeakPolarHBondContact O-CB 3.36Å; L819-R823 PolarHBondContact O-N 3.09Å; H820-R823 CarbonylContact O-C 3.55Å; H820-R823 PolarHBondContact O-N 3.49Å; R823-C825 PolarHBondContact O-N 2.87Å; R823-L826 CarbonylContact O-C 3.54Å; R823-L826 WeakPolarHBondContact O-CA 3.36Å; R823-L826 WeakPolarHBondContact O-CB 3.34Å; R823-L826 PolarHBondContact O-N 2.71Å; R823-E827 IonicContact CZ-OE1 3.73Å; R823-E827 VanDerWaalsContact CZ-OE1 3.26Å; R823-E827 IonicContact NE-OE1 2.7Å; R823-E827 PolarHBondContact NE-OE1 3.38Å; R823-E827 IonicContact NE-OE2 3.72Å; R823-E827 PolarHBondContact NE-OE2 3.46Å; R823-E827 IonicContact NH2-OE1 2.65Å; R823-E827 PolarHBondContact NH2-OE1 3.35Å; R823-E827 VanDerWaalsContact O-CB 3.27Å; R823-E827 WeakPolarHBondContact O-CB 3.06Å; R823-E827 PolarHBondContact O-N 3.13Å
824S92.3Very high90.8Very high28 Ų28105.4 Ų105.420%0.19649%0.492CS..Hα-helixtrans-56.6-27.5178.8-560000113.5H820 Q821 R828H820-S824 WeakPolarHBondContact O-CB 3.3Å; H820-S824 PolarHBondContact O-N 2.72Å; H820-S824 PolarHBondContact O-OG 3.25Å; Q821-S824 PolarHBondContact O-N 2.95Å; S824-R828 WeakPolarHBondContact O-CB 3.11Å; S824-R828 VanDerWaalsContact O-CG 3.28Å; S824-R828 WeakPolarHBondContact O-CG 3.07Å; S824-R828 PolarHBondContact O-N 2.91Å; S824-R828 PolarHBondContact O-NE 3.17Å; S824-R828 VanDerWaalsContact O-NE 3.16Å
825C93Very high90.8Very high56 Ų56109 Ų10938%0.37850%0.502SS..Hα-helixtrans-75.3-43.2172.4-173.30000112Q821 R822 R823 R829Q821-C825 WeakPolarHBondContact O-CB 3.39Å; Q821-C825 PolarHBondContact O-N 3.04Å; R822-C825 PolarHBondContact O-N 2.88Å; R823-C825 PolarHBondContact O-N 2.87Å; C825-R829 WeakPolarHBondContact O-CB 3.49Å; C825-R829 VanDerWaalsContact O-CG 3.32Å; C825-R829 WeakPolarHBondContact O-CG 3.3Å; C825-R829 PolarHBondContact O-N 3.44Å
826L86.4Confident90.9Very high92 Ų92110.8 Ų110.848%0.48251%0.509SS..Hα-helixtrans-64.9-39.2171.9-72.1166.8000111.8R822 R823 R829 L830R822-L826 HydrophobicContact CG-CD1 4.23Å; R822-L826 WeakPolarHBondContact O-CB 3.22Å; R822-L826 VanDerWaalsContact O-CG 3.31Å; R822-L826 WeakPolarHBondContact O-CG 3.49Å; R822-L826 PolarHBondContact O-N 2.83Å; R823-L826 CarbonylContact O-C 3.54Å; R823-L826 WeakPolarHBondContact O-CA 3.36Å; R823-L826 WeakPolarHBondContact O-CB 3.34Å; R823-L826 PolarHBondContact O-N 2.71Å; L826-R829 CarbonylContact O-C 3.59Å; L826-R829 WeakPolarHBondContact O-CB 3.35Å; L826-R829 PolarHBondContact O-N 3.13Å; L826-L830 WeakPolarHBondContact O-CB 3.24Å; L826-L830 PolarHBondContact O-N 2.97Å
827E90.9Very high91.3Very high67 Ų67109.3 Ų109.331%0.31350%0.504SS..Hα-helixtrans-69.2-43.6178.4-148.8153.6-12800110R823 R829 L830 H831R823-E827 IonicContact CZ-OE1 3.73Å; R823-E827 VanDerWaalsContact CZ-OE1 3.26Å; R823-E827 IonicContact NE-OE1 2.7Å; R823-E827 PolarHBondContact NE-OE1 3.38Å; R823-E827 IonicContact NE-OE2 3.72Å; R823-E827 PolarHBondContact NE-OE2 3.46Å; R823-E827 IonicContact NH2-OE1 2.65Å; R823-E827 PolarHBondContact NH2-OE1 3.35Å; R823-E827 VanDerWaalsContact O-CB 3.27Å; R823-E827 WeakPolarHBondContact O-CB 3.06Å; R823-E827 PolarHBondContact O-N 3.13Å; E827-R829 PolarHBondContact O-N 2.71Å; E827-L830 PolarHBondContact O-N 2.93Å; E827-H831 PolarHBondContact O-CD2 3.25Å; E827-H831 PolarHBondContact O-N 2.94Å
828R92Very high91.2Very high156 Ų156110.1 Ų110.159%0.58951%0.506SS*.Hα-helixtrans-62.9-36167.3-82.7-179.4-84.7115.8-6.2113.1S824 A832S824-R828 WeakPolarHBondContact O-CB 3.11Å; S824-R828 VanDerWaalsContact O-CG 3.28Å; S824-R828 WeakPolarHBondContact O-CG 3.07Å; S824-R828 PolarHBondContact O-N 2.91Å; S824-R828 PolarHBondContact O-NE 3.17Å; S824-R828 VanDerWaalsContact O-NE 3.16Å; R828-A832 WeakPolarHBondContact O-CB 3.4Å; R828-A832 PolarHBondContact O-N 3.13Å
829R93.7Very high91.3Very high174 Ų174107.8 Ų107.866%0.65750%0.502SS*.Hα-helixtrans-68.5-35.5172.6-81.6178.761.7179.4-1.7112C825 L826 E827 A832 A833C825-R829 WeakPolarHBondContact O-CB 3.49Å; C825-R829 VanDerWaalsContact O-CG 3.32Å; C825-R829 WeakPolarHBondContact O-CG 3.3Å; C825-R829 PolarHBondContact O-N 3.44Å; L826-R829 CarbonylContact O-C 3.59Å; L826-R829 WeakPolarHBondContact O-CB 3.35Å; L826-R829 PolarHBondContact O-N 3.13Å; E827-R829 PolarHBondContact O-N 2.71Å; R829-A832 PolarHBondContact O-N 3.37Å; R829-A833 VanDerWaalsContact O-CB 3.29Å; R829-A833 WeakPolarHBondContact O-CB 3Å; R829-A833 PolarHBondContact O-N 3.18Å
830L88.2Confident91.5Very high111 Ų111105.5 Ų105.558%0.58149%0.489SS*.Hα-helixtrans-68.8-50.9175.7-156.9169.8000109.2L826 E827 A832 A833 E834L826-L830 WeakPolarHBondContact O-CB 3.24Å; L826-L830 PolarHBondContact O-N 2.97Å; E827-L830 PolarHBondContact O-N 2.93Å; L830-A832 PolarHBondContact O-N 3.05Å; L830-A833 CarbonylContact O-C 3.58Å; L830-A833 PolarHBondContact O-N 3.35Å; L830-A833 VanDerWaalsContact O-N 3.12Å; L830-E834 WeakPolarHBondContact O-CB 3.17Å; L830-E834 PolarHBondContact O-N 3.26Å
831H90.4Very high91.4Very high119 Ų119103.2 Ų103.255%0.55148%0.48SS*.Hα-helixtrans-62.4-24.2171.6-74.2-67.4000114.1E827 R835E827-H831 PolarHBondContact O-CD2 3.25Å; E827-H831 PolarHBondContact O-N 2.94Å; H831-R835 VanDerWaalsContact O-CB 3.28Å; H831-R835 WeakPolarHBondContact O-CB 3.46Å; H831-R835 VanDerWaalsContact O-CG 3.23Å; H831-R835 WeakPolarHBondContact O-CG 3.45Å; H831-R835 PolarHBondContact O-N 3.34Å; H831-R835 PolarHBondContact O-NE 3.42Å; H831-R835 VanDerWaalsContact O-NE 3.09Å
832A93.1Very high91.3Very high34 Ų34101.4 Ų101.428%0.28148%0.476SS..Hα-helixtrans-80.4-36.3171.900000112.3R828 R829 L830 K836R828-A832 WeakPolarHBondContact O-CB 3.4Å; R828-A832 PolarHBondContact O-N 3.13Å; R829-A832 PolarHBondContact O-N 3.37Å; L830-A832 PolarHBondContact O-N 3.05Å; A832-K836 WeakPolarHBondContact O-CB 3.39Å; A832-K836 WeakPolarHBondContact O-CG 3.43Å; A832-K836 PolarHBondContact O-N 3.49Å
833A90.5Very high91.4Very high60 Ų6098.7 Ų98.750%0.49647%0.466SS..Hα-helixtrans-67.5-39.6171.300000110.8R829 L830 K836 R837R829-A833 VanDerWaalsContact O-CB 3.29Å; R829-A833 WeakPolarHBondContact O-CB 3Å; R829-A833 PolarHBondContact O-N 3.18Å; L830-A833 CarbonylContact O-C 3.58Å; L830-A833 PolarHBondContact O-N 3.35Å; L830-A833 VanDerWaalsContact O-N 3.12Å; A833-K836 CarbonylContact O-C 3.5Å; A833-K836 WeakPolarHBondContact O-CB 3.48Å; A833-K836 PolarHBondContact O-N 3.39Å; A833-R837 WeakPolarHBondContact O-CB 3.5Å; A833-R837 PolarHBondContact O-N 2.9Å
834E88.9Confident91.5Very high71 Ų7198.8 Ų98.833%0.33247%0.467SS..Hα-helixtrans-70.9-41.6176.5-167.552.2-124.100111.1L830 K836 R837 Q838L830-E834 WeakPolarHBondContact O-CB 3.17Å; L830-E834 PolarHBondContact O-N 3.26Å; E834-K836 VanDerWaalsContact C-N 3.25Å; E834-K836 PolarHBondContact O-N 3.12Å; E834-R837 PolarHBondContact O-N 3.1Å; E834-R837 WeakPolarHBondContact OE1-CD 3.26Å; E834-R837 IonicContact OE1-CZ 2.65Å; E834-R837 IonicContact OE1-NE 3.27Å; E834-R837 IonicContact OE1-NH1 2.66Å; E834-R837 PolarHBondContact OE1-NH1 2.89Å; E834-Q838 VanDerWaalsContact O-CB 3.26Å; E834-Q838 WeakPolarHBondContact O-CB 3.41Å; E834-Q838 PolarHBondContact O-N 3.3Å
835R92Very high91.4Very high170 Ų170101 Ų10164%0.64248%0.479SS*.Hα-helixtrans-63.4-29.4169-77179.4-60.4128.6-1.7113H831 A839H831-R835 VanDerWaalsContact O-CB 3.28Å; H831-R835 WeakPolarHBondContact O-CB 3.46Å; H831-R835 VanDerWaalsContact O-CG 3.23Å; H831-R835 WeakPolarHBondContact O-CG 3.45Å; H831-R835 PolarHBondContact O-N 3.34Å; H831-R835 PolarHBondContact O-NE 3.42Å; H831-R835 VanDerWaalsContact O-NE 3.09Å; R835-A839 WeakPolarHBondContact O-CB 3.42Å; R835-A839 PolarHBondContact O-N 3.05Å
836K92.8Very high91.3Very high164 Ų164103.1 Ų103.171%0.71349%0.486SS*.Hα-helixtrans-73.6-40170.8-80.2-173.5175.2-166.40112.5A832 A833 E834 A839 E840A832-K836 WeakPolarHBondContact O-CB 3.39Å; A832-K836 WeakPolarHBondContact O-CG 3.43Å; A832-K836 PolarHBondContact O-N 3.49Å; A833-K836 CarbonylContact O-C 3.5Å; A833-K836 WeakPolarHBondContact O-CB 3.48Å; A833-K836 PolarHBondContact O-N 3.39Å; E834-K836 VanDerWaalsContact C-N 3.25Å; E834-K836 PolarHBondContact O-N 3.12Å; K836-A839 PolarHBondContact O-N 3.12Å; K836-E840 VanDerWaalsContact O-CB 3.25Å; K836-E840 WeakPolarHBondContact O-CB 3.48Å; K836-E840 PolarHBondContact O-N 3.19Å
837R94.2Very high91.5Very high143 Ų143103.1 Ų103.154%0.5448%0.482SS..Hα-helixtrans-61.6-48.1173.2176-177.1165.9-75.7-6.1110A833 E834 E840 L841A833-R837 WeakPolarHBondContact O-CB 3.5Å; A833-R837 PolarHBondContact O-N 2.9Å; E834-R837 PolarHBondContact O-N 3.1Å; E834-R837 WeakPolarHBondContact OE1-CD 3.26Å; E834-R837 IonicContact OE1-CZ 2.65Å; E834-R837 IonicContact OE1-NE 3.27Å; E834-R837 IonicContact OE1-NH1 2.66Å; E834-R837 PolarHBondContact OE1-NH1 2.89Å; R837-E840 PolarHBondContact O-N 3.14Å; R837-L841 WeakPolarHBondContact O-CB 3.08Å; R837-L841 PolarHBondContact O-N 3.15Å
838Q92.8Very high91.4Very high90 Ų90102.2 Ų102.242%0.42149%0.486SS..Hα-helixtrans-68.6-38.2177.7-165.563.721.200111.6E834 L841 T842E834-Q838 VanDerWaalsContact O-CB 3.26Å; E834-Q838 WeakPolarHBondContact O-CB 3.41Å; E834-Q838 PolarHBondContact O-N 3.3Å; Q838-L841 PolarHBondContact O-N 3.3Å; Q838-T842 VanDerWaalsContact O-CB 3.27Å; Q838-T842 WeakPolarHBondContact O-CB 3.25Å; Q838-T842 PolarHBondContact O-N 2.99Å; Q838-T842 PolarHBondContact O-OG1 3.31Å
839A92.7Very high91.2Very high60 Ų6099.8 Ų99.850%0.49648%0.481SS..Hα-helixtrans-66.8-37.9172.800000112.4R835 K836 R843R835-A839 WeakPolarHBondContact O-CB 3.42Å; R835-A839 PolarHBondContact O-N 3.05Å; K836-A839 PolarHBondContact O-N 3.12Å; A839-R843 WeakPolarHBondContact O-CB 3.38Å; A839-R843 PolarHBondContact O-N 3.49Å
840E92.1Very high90.9Very high65 Ų6595.1 Ų95.130%0.30447%0.469SS..Hα-helixtrans-69.9-35.5172.8170.660.4-171.100111.8K836 R837 R843 R844K836-E840 VanDerWaalsContact O-CB 3.25Å; K836-E840 WeakPolarHBondContact O-CB 3.48Å; K836-E840 PolarHBondContact O-N 3.19Å; R837-E840 PolarHBondContact O-N 3.14Å; E840-R843 VanDerWaalsContact CD-NH2 3.27Å; E840-R843 PolarHBondContact O-N 3.05Å; E840-R843 IonicContact OE1-CZ 2.73Å; E840-R843 IonicContact OE1-NH2 3.67Å; E840-R843 PolarHBondContact OE1-NH2 2.91Å; E840-R843 IonicContact OE2-CZ 3.15Å; E840-R843 VanDerWaalsContact OE2-CZ 3.3Å; E840-R843 IonicContact OE2-NE 3.29Å; E840-R843 PolarHBondContact OE2-NE 3.27Å; E840-R843 IonicContact OE2-NH2 2.71Å; E840-R843 PolarHBondContact OE2-NH2 3.46Å; E840-R844 WeakPolarHBondContact O-CB 3.37Å; E840-R844 VanDerWaalsContact O-CG 3.24Å; E840-R844 WeakPolarHBondContact O-CG 3.5Å; E840-R844 PolarHBondContact O-N 3.48Å; E840-R844 IonicContact OE1-CZ 2.89Å; E840-R844 VanDerWaalsContact OE1-CZ 3.24Å; E840-R844 IonicContact OE1-NE 3.17Å; E840-R844 PolarHBondContact OE1-NE 3.27Å; E840-R844 IonicContact OE1-NH2 3.08Å; E840-R844 PolarHBondContact OE1-NH2 3.43Å
841L89.9Confident90.8Very high69 Ų6995 Ų9536%0.36147%0.466SS..Hα-helixtrans-69.2-46.8174.5-174.963.8000110.6R837 Q838 R843 R844 V845R837-L841 WeakPolarHBondContact O-CB 3.08Å; R837-L841 PolarHBondContact O-N 3.15Å; Q838-L841 PolarHBondContact O-N 3.3Å; L841-R843 VanDerWaalsContact C-N 3.34Å; L841-R843 PolarHBondContact O-N 3.01Å; L841-R844 CarbonylContact O-C 3.49Å; L841-R844 WeakPolarHBondContact O-CA 3.46Å; L841-R844 WeakPolarHBondContact O-CB 3.19Å; L841-R844 PolarHBondContact O-N 2.72Å; L841-R844 VanDerWaalsContact O-N 3.11Å; L841-V845 WeakPolarHBondContact O-CG2 3.48Å; L841-V845 PolarHBondContact O-N 2.94Å
842T90.3Very high90.6Very high70 Ų7093.7 Ų93.743%0.42946%0.46SS..Hα-helixtrans-60.2-42170.9-640000110.5Q838 R844 V845 L846Q838-T842 VanDerWaalsContact O-CB 3.27Å; Q838-T842 WeakPolarHBondContact O-CB 3.25Å; Q838-T842 PolarHBondContact O-N 2.99Å; Q838-T842 PolarHBondContact O-OG1 3.31Å; T842-R844 VanDerWaalsContact C-N 3.28Å; T842-R844 PolarHBondContact O-N 3.32Å; T842-V845 PolarHBondContact O-N 3.29Å; T842-L846 WeakPolarHBondContact O-CB 3.41Å; T842-L846 PolarHBondContact O-N 2.88Å
843R95.3Very high90.3Very high123 Ų12396 Ų9646%0.46447%0.47SS..Hα-helixtrans-64.2-31.7174.1-168.3-155.561.368.3-0.2112.2A839 E840 L841 K847A839-R843 WeakPolarHBondContact O-CB 3.38Å; A839-R843 PolarHBondContact O-N 3.49Å; E840-R843 VanDerWaalsContact CD-NH2 3.27Å; E840-R843 PolarHBondContact O-N 3.05Å; E840-R843 IonicContact OE1-CZ 2.73Å; E840-R843 IonicContact OE1-NH2 3.67Å; E840-R843 PolarHBondContact OE1-NH2 2.91Å; E840-R843 IonicContact OE2-CZ 3.15Å; E840-R843 VanDerWaalsContact OE2-CZ 3.3Å; E840-R843 IonicContact OE2-NE 3.29Å; E840-R843 PolarHBondContact OE2-NE 3.27Å; E840-R843 IonicContact OE2-NH2 2.71Å; E840-R843 PolarHBondContact OE2-NH2 3.46Å; L841-R843 VanDerWaalsContact C-N 3.34Å; L841-R843 PolarHBondContact O-N 3.01Å; R843-K847 WeakPolarHBondContact O-CB 3.27Å; R843-K847 PolarHBondContact O-N 2.86Å
844R90.8Very high90.2Very high152 Ų15298.7 Ų98.757%0.57447%0.471SS*.Hα-helixtrans-73.5-40.3171.8-75.2171-169-141-2.6112.5E840 L841 T842 A848E840-R844 WeakPolarHBondContact O-CB 3.37Å; E840-R844 VanDerWaalsContact O-CG 3.24Å; E840-R844 WeakPolarHBondContact O-CG 3.5Å; E840-R844 PolarHBondContact O-N 3.48Å; E840-R844 IonicContact OE1-CZ 2.89Å; E840-R844 VanDerWaalsContact OE1-CZ 3.24Å; E840-R844 IonicContact OE1-NE 3.17Å; E840-R844 PolarHBondContact OE1-NE 3.27Å; E840-R844 IonicContact OE1-NH2 3.08Å; E840-R844 PolarHBondContact OE1-NH2 3.43Å; L841-R844 CarbonylContact O-C 3.49Å; L841-R844 WeakPolarHBondContact O-CA 3.46Å; L841-R844 WeakPolarHBondContact O-CB 3.19Å; L841-R844 PolarHBondContact O-N 2.72Å; L841-R844 VanDerWaalsContact O-N 3.11Å; T842-R844 VanDerWaalsContact C-N 3.28Å; T842-R844 PolarHBondContact O-N 3.32Å; R844-A848 WeakPolarHBondContact O-CB 3.29Å; R844-A848 PolarHBondContact O-N 3.01Å
845V90.3Very high89.9Confident76 Ų7697 Ų9746%0.46147%0.473SS..Hα-helixtrans-67.6-41.2175.8169.60000110.6L841 T842 A848 H849L841-V845 WeakPolarHBondContact O-CG2 3.48Å; L841-V845 PolarHBondContact O-N 2.94Å; T842-V845 PolarHBondContact O-N 3.29Å; V845-A848 CarbonylContact O-C 3.56Å; V845-A848 PolarHBondContact O-N 3.26Å; V845-H849 WeakPolarHBondContact O-CB 3.34Å; V845-H849 PolarHBondContact O-N 3.47Å; V845-H849 PolarHBondContact O-ND1 2.86Å
846L89.9Confident89.6Confident99 Ų9994.7 Ų94.752%0.51847%0.467SS..Hα-helixtrans-71.3-42.1177.5-153.9156.2000110.1T842 A848 H849 D850T842-L846 WeakPolarHBondContact O-CB 3.41Å; T842-L846 PolarHBondContact O-N 2.88Å; L846-A848 VanDerWaalsContact C-N 3.32Å; L846-A848 PolarHBondContact O-N 2.97Å; L846-H849 CarbonylContact O-C 3.53Å; L846-H849 PolarHBondContact O-N 3.45Å; L846-D850 PolarHBondContact O-N 3.43Å
847K90.1Very high89.4Confident92 Ų9291.8 Ų91.840%0.446%0.456SS..Hα-helixtrans-61.2-38.5167.6-176.8177.6-176.7-118.30112.2R843 H849 D850 E851R843-K847 WeakPolarHBondContact O-CB 3.27Å; R843-K847 PolarHBondContact O-N 2.86Å; K847-H849 VanDerWaalsContact C-N 3.35Å; K847-D850 CarbonylContact O-C 3.41Å; K847-D850 WeakPolarHBondContact O-CB 3.27Å; K847-D850 PolarHBondContact O-N 3.31Å; K847-E851 WeakPolarHBondContact CE-OE1 3.44Å; K847-E851 VanDerWaalsContact CE-OE2 3.3Å; K847-E851 WeakPolarHBondContact CE-OE2 3.31Å; K847-E851 HydrophobicContact CG-CG 4.28Å; K847-E851 IonicContact NZ-OE1 2.8Å; K847-E851 PolarHBondContact NZ-OE1 2.9Å; K847-E851 IonicContact NZ-OE2 3.19Å; K847-E851 PolarHBondContact NZ-OE2 2.87Å; K847-E851 WeakPolarHBondContact O-CB 3.35Å; K847-E851 WeakPolarHBondContact O-CG 3.33Å; K847-E851 PolarHBondContact O-N 2.79Å
848A88.9Confident88.6Confident48 Ų4889.4 Ų89.440%0.39745%0.453SS..Hα-helixtrans-68.6-35.3176.600000111.3R844 V845 L846 E851 E852R844-A848 WeakPolarHBondContact O-CB 3.29Å; R844-A848 PolarHBondContact O-N 3.01Å; V845-A848 CarbonylContact O-C 3.56Å; V845-A848 PolarHBondContact O-N 3.26Å; L846-A848 VanDerWaalsContact C-N 3.32Å; L846-A848 PolarHBondContact O-N 2.97Å; A848-E851 CarbonylContact O-C 3.53Å; A848-E851 PolarHBondContact O-N 3.06Å; A848-E852 WeakPolarHBondContact O-CB 3.34Å; A848-E852 PolarHBondContact O-N 3.28Å
849H88.1Confident88.1Confident106 Ų10687.2 Ų87.249%0.49145%0.451SS..Hα-helixtrans-69.3-32.6168.8-80.537.3000111.9V845 L846 K847 T853V845-H849 WeakPolarHBondContact O-CB 3.34Å; V845-H849 PolarHBondContact O-N 3.47Å; V845-H849 PolarHBondContact O-ND1 2.86Å; L846-H849 CarbonylContact O-C 3.53Å; L846-H849 PolarHBondContact O-N 3.45Å; K847-H849 VanDerWaalsContact C-N 3.35Å; H849-T853 WeakPolarHBondContact O-CA 3.42Å; H849-T853 WeakPolarHBondContact O-CB 3.36Å; H849-T853 PolarHBondContact O-N 3.2Å; H849-T853 PolarHBondContact O-OG1 3.03Å
850D87.7Confident87.8Confident75 Ų7590.3 Ų90.340%0.40145%0.453SS..Hα-helixtrans-70-36.3171.9-63.5-29.6000110.9L846 K847 K854L846-D850 PolarHBondContact O-N 3.43Å; K847-D850 CarbonylContact O-C 3.41Å; K847-D850 WeakPolarHBondContact O-CB 3.27Å; K847-D850 PolarHBondContact O-N 3.31Å; D850-K854 WeakPolarHBondContact O-CB 3.5Å; D850-K854 WeakPolarHBondContact O-CD 3.47Å; D850-K854 WeakPolarHBondContact O-CG 3.41Å; D850-K854 PolarHBondContact O-N 3.39Å
851E85.5Confident87.2Confident110 Ų11091 Ų9151%0.51446%0.458SS..Hα-helixtrans-78.4-28.7176.9-74.2179.8139.900111.9K847 A848 G855K847-E851 WeakPolarHBondContact CE-OE1 3.44Å; K847-E851 VanDerWaalsContact CE-OE2 3.3Å; K847-E851 WeakPolarHBondContact CE-OE2 3.31Å; K847-E851 HydrophobicContact CG-CG 4.28Å; K847-E851 IonicContact NZ-OE1 2.8Å; K847-E851 PolarHBondContact NZ-OE1 2.9Å; K847-E851 IonicContact NZ-OE2 3.19Å; K847-E851 PolarHBondContact NZ-OE2 2.87Å; K847-E851 WeakPolarHBondContact O-CB 3.35Å; K847-E851 WeakPolarHBondContact O-CG 3.33Å; K847-E851 PolarHBondContact O-N 2.79Å; A848-E851 CarbonylContact O-C 3.53Å; A848-E851 PolarHBondContact O-N 3.06Å; E851-G855 WeakPolarHBondContact O-CA 3.44Å; E851-G855 PolarHBondContact O-N 2.81Å
852E86.3Confident86.6Confident90 Ų9093.4 Ų93.442%0.42147%0.467SS..Hα-helixtrans-78.3-36.8170-173.3-166.1154.500111.2A848 G855 K856A848-E852 WeakPolarHBondContact O-CB 3.34Å; A848-E852 PolarHBondContact O-N 3.28Å; E852-G855 CarbonylContact O-C 3.54Å; E852-G855 WeakPolarHBondContact O-CA 3.45Å; E852-G855 PolarHBondContact O-N 3.41Å; E852-K856 HydrophobicContact CG-CD 4.49Å; E852-K856 WeakPolarHBondContact O-CB 3.33Å; E852-K856 VanDerWaalsContact O-CG 3.27Å; E852-K856 WeakPolarHBondContact O-CG 3.5Å; E852-K856 PolarHBondContact O-N 2.84Å; E852-K856 VanDerWaalsContact OE1-CE 3.23Å; E852-K856 WeakPolarHBondContact OE1-CE 3.32Å; E852-K856 IonicContact OE1-NZ 2.77Å; E852-K856 PolarHBondContact OE1-NZ 3.04Å
853T86.8Confident86.5Confident82 Ų8293.1 Ų93.150%0.50347%0.466SS..Hα-helixtrans-73.8-38175-57.70000110.1H849 G855 K856 E857H849-T853 WeakPolarHBondContact O-CA 3.42Å; H849-T853 WeakPolarHBondContact O-CB 3.36Å; H849-T853 PolarHBondContact O-N 3.2Å; H849-T853 PolarHBondContact O-OG1 3.03Å; T853-G855 VanDerWaalsContact C-N 3.29Å; T853-K856 CarbonylContact O-C 3.51Å; T853-K856 PolarHBondContact O-N 3.49Å; T853-E857 WeakPolarHBondContact O-CB 3.41Å; T853-E857 PolarHBondContact O-N 3.16Å
854K88.5Confident86.1Confident118 Ų11891 Ų9151%0.51346%0.463SS..Hα-helixtrans-67.2-30.4164.2-73.6166.5-173.7171.70111.9D850 K856 E857 I858D850-K854 WeakPolarHBondContact O-CB 3.5Å; D850-K854 WeakPolarHBondContact O-CD 3.47Å; D850-K854 WeakPolarHBondContact O-CG 3.41Å; D850-K854 PolarHBondContact O-N 3.39Å; K854-K856 VanDerWaalsContact C-N 3.34Å; K854-E857 PolarHBondContact O-N 2.87Å; K854-I858 WeakPolarHBondContact O-CA 3.41Å; K854-I858 WeakPolarHBondContact O-CB 3.31Å; K854-I858 WeakPolarHBondContact O-CD1 3.33Å; K854-I858 WeakPolarHBondContact O-CG1 3.22Å; K854-I858 PolarHBondContact O-N 3.5Å
855G83.3Confident85.6Confident36 Ų3688 Ų8837%0.37146%0.456SS..Hα-helixtrans-63.1-41.9170.200000111.5E851 E852 T853 A859E851-G855 WeakPolarHBondContact O-CA 3.44Å; E851-G855 PolarHBondContact O-N 2.81Å; E852-G855 CarbonylContact O-C 3.54Å; E852-G855 WeakPolarHBondContact O-CA 3.45Å; E852-G855 PolarHBondContact O-N 3.41Å; T853-G855 VanDerWaalsContact C-N 3.29Å; G855-A859 WeakPolarHBondContact O-CA 3.49Å; G855-A859 WeakPolarHBondContact O-CB 3.41Å; G855-A859 PolarHBondContact O-N 3.26Å
856K85.6Confident85Confident120 Ų12086.2 Ų86.252%0.52245%0.449SS..Hα-helixtrans-75.5-32.4175.5-72.7166-176.5170.50112.9E852 T853 K854 A859 F860E852-K856 HydrophobicContact CG-CD 4.49Å; E852-K856 WeakPolarHBondContact O-CB 3.33Å; E852-K856 VanDerWaalsContact O-CG 3.27Å; E852-K856 WeakPolarHBondContact O-CG 3.5Å; E852-K856 PolarHBondContact O-N 2.84Å; E852-K856 VanDerWaalsContact OE1-CE 3.23Å; E852-K856 WeakPolarHBondContact OE1-CE 3.32Å; E852-K856 IonicContact OE1-NZ 2.77Å; E852-K856 PolarHBondContact OE1-NZ 3.04Å; T853-K856 CarbonylContact O-C 3.51Å; T853-K856 PolarHBondContact O-N 3.49Å; K854-K856 VanDerWaalsContact C-N 3.34Å; K856-A859 CarbonylContact O-C 3.47Å; K856-F860 WeakPolarHBondContact O-CA 3.45Å; K856-F860 WeakPolarHBondContact O-CB 3.4Å; K856-F860 PolarHBondContact O-N 3Å
857E88.3Confident84.7Confident104 Ų10486.1 Ų86.149%0.48645%0.446SS..Hα-helixtrans-75.9-43.3175.8-176.5-173.6-170.500110.1T853 K854 A859 F860 I861T853-E857 WeakPolarHBondContact O-CB 3.41Å; T853-E857 PolarHBondContact O-N 3.16Å; K854-E857 PolarHBondContact O-N 2.87Å; E857-A859 VanDerWaalsContact C-N 3.34Å; E857-F860 CarbonylContact O-C 3.55Å; E857-F860 PolarHBondContact O-N 2.85Å; E857-I861 HydrophobicContact CG-CD1 3.97Å; E857-I861 VanDerWaalsContact O-CB 3.25Å; E857-I861 WeakPolarHBondContact O-CB 3.37Å; E857-I861 WeakPolarHBondContact O-CG1 3.35Å; E857-I861 PolarHBondContact O-N 2.68Å
858I76.8Confident84.1Confident93 Ų9388.7 Ų88.748%0.47746%0.459SS..Hα-helixtrans-65.6-39.2169.3-67.9165.8000109.7K854 F860 Q862K854-I858 WeakPolarHBondContact O-CA 3.41Å; K854-I858 WeakPolarHBondContact O-CB 3.31Å; K854-I858 WeakPolarHBondContact O-CD1 3.33Å; K854-I858 WeakPolarHBondContact O-CG1 3.22Å; K854-I858 PolarHBondContact O-N 3.5Å; I858-F860 VanDerWaalsContact C-N 3.35Å; I858-Q862 HydrophobicContact CG2-CG 4.26Å; I858-Q862 WeakPolarHBondContact O-CA 3.36Å; I858-Q862 WeakPolarHBondContact O-CB 3.1Å; I858-Q862 WeakPolarHBondContact O-CG 3.43Å; I858-Q862 PolarHBondContact O-N 3.47Å
859A82.7Confident83.6Confident44 Ų4491.9 Ų91.936%0.36446%0.464SS..Hα-helixtrans-69.4-29.9173.400000112.5G855 K856 E857 Q862 T863G855-A859 WeakPolarHBondContact O-CA 3.49Å; G855-A859 WeakPolarHBondContact O-CB 3.41Å; G855-A859 PolarHBondContact O-N 3.26Å; K856-A859 CarbonylContact O-C 3.47Å; E857-A859 VanDerWaalsContact C-N 3.34Å; A859-Q862 CarbonylContact O-C 3.53Å; A859-T863 WeakPolarHBondContact O-CA 3.48Å; A859-T863 WeakPolarHBondContact O-CB 3.45Å; A859-T863 PolarHBondContact O-N 3.36Å; A859-T863 PolarHBondContact O-OG1 2.73Å
860F87.4Confident83Confident124 Ų12492.1 Ų92.154%0.54447%0.466SS..Hα-helixtrans-82.5-34.3177.3179.9-109.5000112K856 E857 I858 T863 L864K856-F860 WeakPolarHBondContact O-CA 3.45Å; K856-F860 WeakPolarHBondContact O-CB 3.4Å; K856-F860 PolarHBondContact O-N 3Å; E857-F860 CarbonylContact O-C 3.55Å; E857-F860 PolarHBondContact O-N 2.85Å; I858-F860 VanDerWaalsContact C-N 3.35Å; F860-T863 CarbonylContact O-C 3.5Å; F860-T863 PolarHBondContact O-N 3.3Å; F860-L864 HydrophobicContact CD1-CD1 4.04Å; F860-L864 HydrophobicContact CE1-CD1 3.42Å; F860-L864 VanDerWaalsContact CE1-CD1 3.42Å; F860-L864 HydrophobicContact CE1-CG 4.12Å; F860-L864 HydrophobicContact CE2-CD1 4.27Å; F860-L864 HydrophobicContact CE2-CG 4.12Å; F860-L864 HydrophobicContact CZ-CD1 3.56Å; F860-L864 HydrophobicContact CZ-CD2 4.37Å; F860-L864 HydrophobicContact CZ-CG 3.9Å; F860-L864 VanDerWaalsContact O-CB 3.32Å; F860-L864 WeakPolarHBondContact O-CB 3.26Å; F860-L864 WeakPolarHBondContact O-CG 3.38Å; F860-L864 PolarHBondContact O-N 2.99Å
861I79.5Confident82.5Confident80 Ų8095 Ų9541%0.4148%0.476SS..Hα-helixtrans-67.9-41166.5-69.3165.9000109E857 T863 E865E857-I861 HydrophobicContact CG-CD1 3.97Å; E857-I861 VanDerWaalsContact O-CB 3.25Å; E857-I861 WeakPolarHBondContact O-CB 3.37Å; E857-I861 WeakPolarHBondContact O-CG1 3.35Å; E857-I861 PolarHBondContact O-N 2.68Å; I861-T863 VanDerWaalsContact C-N 3.3Å; I861-T863 PolarHBondContact O-N 2.88Å; I861-E865 HydrophobicContact CG2-CG 4.33Å; I861-E865 WeakPolarHBondContact O-CA 3.43Å; I861-E865 WeakPolarHBondContact O-CB 3.42Å; I861-E865 VanDerWaalsContact O-CG 3.3Å; I861-E865 WeakPolarHBondContact O-CG 3.5Å; I861-E865 PolarHBondContact O-N 2.87Å
862Q76.9Confident82.3Confident119 Ų11992.4 Ų92.456%0.55647%0.47SS*.Hα-helixtrans-68.9-27.8171.5-75.2172.8500111.9I858 A859 A866I858-Q862 HydrophobicContact CG2-CG 4.26Å; I858-Q862 WeakPolarHBondContact O-CA 3.36Å; I858-Q862 WeakPolarHBondContact O-CB 3.1Å; I858-Q862 WeakPolarHBondContact O-CG 3.43Å; I858-Q862 PolarHBondContact O-N 3.47Å; A859-Q862 CarbonylContact O-C 3.53Å; Q862-A866 WeakPolarHBondContact O-CA 3.44Å; Q862-A866 WeakPolarHBondContact O-CB 3.36Å; Q862-A866 PolarHBondContact O-N 2.78Å
863T87Confident81.7Confident64 Ų6492.7 Ų92.739%0.39347%0.474SS..Hα-helixtrans-78.4-40.3174.7-62.40000110.5A859 F860 I861 A866 E867A859-T863 WeakPolarHBondContact O-CA 3.48Å; A859-T863 WeakPolarHBondContact O-CB 3.45Å; A859-T863 PolarHBondContact O-N 3.36Å; A859-T863 PolarHBondContact O-OG1 2.73Å; F860-T863 CarbonylContact O-C 3.5Å; F860-T863 PolarHBondContact O-N 3.3Å; I861-T863 VanDerWaalsContact C-N 3.3Å; I861-T863 PolarHBondContact O-N 2.88Å; T863-A866 CarbonylContact O-C 3.55Å; T863-A866 VanDerWaalsContact O-C 3.26Å; T863-A866 PolarHBondContact O-N 2.66Å; T863-E867 HydrophobicContact CG2-CG 4.24Å; T863-E867 WeakPolarHBondContact O-CA 3.27Å; T863-E867 WeakPolarHBondContact O-CB 3.37Å; T863-E867 VanDerWaalsContact O-CG 3.23Å; T863-E867 WeakPolarHBondContact O-CG 3.32Å; T863-E867 PolarHBondContact O-N 3.31Å
864L88Confident81.3Confident80 Ų8091.1 Ų91.142%0.41946%0.462SS..Hα-helixtrans-70.9-39.5172.4-78.4179000112F860 A866 E867 Q868F860-L864 HydrophobicContact CD1-CD1 4.04Å; F860-L864 HydrophobicContact CE1-CD1 3.42Å; F860-L864 VanDerWaalsContact CE1-CD1 3.42Å; F860-L864 HydrophobicContact CE1-CG 4.12Å; F860-L864 HydrophobicContact CE2-CD1 4.27Å; F860-L864 HydrophobicContact CE2-CG 4.12Å; F860-L864 HydrophobicContact CZ-CD1 3.56Å; F860-L864 HydrophobicContact CZ-CD2 4.37Å; F860-L864 HydrophobicContact CZ-CG 3.9Å; F860-L864 VanDerWaalsContact O-CB 3.32Å; F860-L864 WeakPolarHBondContact O-CB 3.26Å; F860-L864 WeakPolarHBondContact O-CG 3.38Å; F860-L864 PolarHBondContact O-N 2.99Å; L864-A866 VanDerWaalsContact C-N 3.28Å; L864-E867 PolarHBondContact O-N 2.65Å; L864-Q868 WeakPolarHBondContact O-CA 3.4Å; L864-Q868 WeakPolarHBondContact O-CB 3.33Å; L864-Q868 PolarHBondContact O-N 2.87Å
865E79.2Confident80.9Confident88 Ų8888.9 Ų88.941%0.41146%0.459SS..Hα-helixtrans-66.4-31.8167.9-80.5-167.1-154.300110.9I861 K869I861-E865 HydrophobicContact CG2-CG 4.33Å; I861-E865 WeakPolarHBondContact O-CA 3.43Å; I861-E865 WeakPolarHBondContact O-CB 3.42Å; I861-E865 VanDerWaalsContact O-CG 3.3Å; I861-E865 WeakPolarHBondContact O-CG 3.5Å; I861-E865 PolarHBondContact O-N 2.87Å; E865-K869 VanDerWaalsContact O-CA 3.32Å; E865-K869 WeakPolarHBondContact O-CA 2.92Å; E865-K869 WeakPolarHBondContact O-CB 3.36Å; E865-K869 VanDerWaalsContact O-CD 3.31Å; E865-K869 WeakPolarHBondContact O-CD 3.45Å; E865-K869 WeakPolarHBondContact O-CG 3.15Å; E865-K869 PolarHBondContact O-N 2.94Å; E865-K869 IonicContact OE2-NZ 2.81Å; E865-K869 PolarHBondContact OE2-NZ 3.3Å
866A77.4Confident80.7Confident39 Ų3993.4 Ų93.432%0.32247%0.468SS..Hα-helixtrans-84.3-12.9173.800000113.1Q862 T863 L864 Q870Q862-A866 WeakPolarHBondContact O-CA 3.44Å; Q862-A866 WeakPolarHBondContact O-CB 3.36Å; Q862-A866 PolarHBondContact O-N 2.78Å; T863-A866 CarbonylContact O-C 3.55Å; T863-A866 VanDerWaalsContact O-C 3.26Å; T863-A866 PolarHBondContact O-N 2.66Å; L864-A866 VanDerWaalsContact C-N 3.28Å; A866-Q870 VanDerWaalsContact O-CA 3.25Å; A866-Q870 WeakPolarHBondContact O-CA 3.08Å; A866-Q870 WeakPolarHBondContact O-CB 3.22Å; A866-Q870 WeakPolarHBondContact O-CG 3.22Å; A866-Q870 PolarHBondContact O-N 2.75Å; A866-Q870 PolarHBondContact O-NE2 2.9Å
867E83.8Confident80.1Confident97 Ų9790.9 Ų90.945%0.45346%0.458SS..Hα-helixtrans-93.8-28.2172.1-82.5175.6-175.100110.1T863 L864 Q870 H871T863-E867 HydrophobicContact CG2-CG 4.24Å; T863-E867 WeakPolarHBondContact O-CA 3.27Å; T863-E867 WeakPolarHBondContact O-CB 3.37Å; T863-E867 VanDerWaalsContact O-CG 3.23Å; T863-E867 WeakPolarHBondContact O-CG 3.32Å; T863-E867 PolarHBondContact O-N 3.31Å; L864-E867 PolarHBondContact O-N 2.65Å; E867-Q870 CarbonylContact O-C 3.58Å; E867-H871 VanDerWaalsContact O-CB 3.27Å; E867-H871 WeakPolarHBondContact O-CB 3.49Å; E867-H871 PolarHBondContact O-CD2 3.42Å; E867-H871 PolarHBondContact O-N 2.69Å
868Q78.5Confident79.7Confident146 Ų14691.2 Ų91.268%0.68246%0.459SS*.Hα-helixtrans-82.6-38.7168.5-169.9-174.719.200110.8L864 S872L864-Q868 WeakPolarHBondContact O-CA 3.4Å; L864-Q868 WeakPolarHBondContact O-CB 3.33Å; L864-Q868 PolarHBondContact O-N 2.87Å; Q868-S872 WeakPolarHBondContact O-CB 3.39Å; Q868-S872 PolarHBondContact O-N 2.71Å
869K77.4Confident79.6Confident115 Ų11591.2 Ų91.250%0.546%0.457SS..Hα-helixtrans-69.1-35.5162.5-71.2161.9-178.2147.10109.9E865 S872 I873E865-K869 VanDerWaalsContact O-CA 3.32Å; E865-K869 WeakPolarHBondContact O-CA 2.92Å; E865-K869 WeakPolarHBondContact O-CB 3.36Å; E865-K869 VanDerWaalsContact O-CD 3.31Å; E865-K869 WeakPolarHBondContact O-CD 3.45Å; E865-K869 WeakPolarHBondContact O-CG 3.15Å; E865-K869 PolarHBondContact O-N 2.94Å; E865-K869 IonicContact OE2-NZ 2.81Å; E865-K869 PolarHBondContact OE2-NZ 3.3Å; K869-S872 PolarHBondContact O-N 3.14Å; K869-I873 HydrophobicContact CB-CD1 4.14Å; K869-I873 VanDerWaalsContact O-CA 3.3Å; K869-I873 WeakPolarHBondContact O-CA 3.09Å; K869-I873 WeakPolarHBondContact O-CB 3.07Å; K869-I873 WeakPolarHBondContact O-CD1 3.29Å; K869-I873 WeakPolarHBondContact O-CG1 3.39Å; K869-I873 PolarHBondContact O-N 3.41Å
870Q76.7Confident79.2Confident111 Ų11190.7 Ų90.752%0.51945%0.451SS..Hα-helixtrans-70.1-35.4171.4-83.5168.746.500111A866 E867 L874A866-Q870 VanDerWaalsContact O-CA 3.25Å; A866-Q870 WeakPolarHBondContact O-CA 3.08Å; A866-Q870 WeakPolarHBondContact O-CB 3.22Å; A866-Q870 WeakPolarHBondContact O-CG 3.22Å; A866-Q870 PolarHBondContact O-N 2.75Å; A866-Q870 PolarHBondContact O-NE2 2.9Å; E867-Q870 CarbonylContact O-C 3.58Å; Q870-L874 HydrophobicContact CB-CD1 4.22Å; Q870-L874 VanDerWaalsContact O-CA 3.25Å; Q870-L874 WeakPolarHBondContact O-CA 3.04Å; Q870-L874 WeakPolarHBondContact O-CB 3.45Å; Q870-L874 WeakPolarHBondContact O-CD1 3.04Å; Q870-L874 WeakPolarHBondContact O-CG 3.04Å; Q870-L874 PolarHBondContact O-N 3.48Å
871H76.3Confident77.9Confident134 Ų13490.5 Ų90.562%0.6245%0.447SS*.Hα-helixtrans-70.4-39.5172.9-97.9-74.7000111.4E867 T875E867-H871 VanDerWaalsContact O-CB 3.27Å; E867-H871 WeakPolarHBondContact O-CB 3.49Å; E867-H871 PolarHBondContact O-CD2 3.42Å; E867-H871 PolarHBondContact O-N 2.69Å; H871-T875 VanDerWaalsContact O-CB 3.27Å; H871-T875 WeakPolarHBondContact O-CB 3.42Å; H871-T875 PolarHBondContact O-N 2.92Å; H871-T875 PolarHBondContact O-OG1 3.1Å
872S81.9Confident77.9Confident56 Ų5689.3 Ų89.339%0.39245%0.449SS..Hα-helixtrans-71.6-36.4176.4-1650000112.6Q868 K869 K876Q868-S872 WeakPolarHBondContact O-CB 3.39Å; Q868-S872 PolarHBondContact O-N 2.71Å; K869-S872 PolarHBondContact O-N 3.14Å; S872-K876 WeakPolarHBondContact O-CB 3.47Å; S872-K876 WeakPolarHBondContact O-CD 3.24Å; S872-K876 WeakPolarHBondContact O-CG 3.37Å; S872-K876 PolarHBondContact O-N 3.32Å
873I73.5Confident77.9Confident97 Ų9790.1 Ų90.150%0.49745%0.446SS..Hα-helixtrans-68.9-64.9170.9-68164.5000107.4K869 T875 K876 H877K869-I873 HydrophobicContact CB-CD1 4.14Å; K869-I873 VanDerWaalsContact O-CA 3.3Å; K869-I873 WeakPolarHBondContact O-CA 3.09Å; K869-I873 WeakPolarHBondContact O-CB 3.07Å; K869-I873 WeakPolarHBondContact O-CD1 3.29Å; K869-I873 WeakPolarHBondContact O-CG1 3.39Å; K869-I873 PolarHBondContact O-N 3.41Å; I873-T875 VanDerWaalsContact C-N 3.29Å; I873-T875 CarbonylContact O-C 3.45Å; I873-T875 PolarHBondContact O-N 2.73Å; I873-T875 VanDerWaalsContact O-N 3.16Å; I873-K876 CarbonylContact O-C 3.43Å; I873-K876 VanDerWaalsContact O-CA 3.28Å; I873-K876 WeakPolarHBondContact O-CA 3.33Å; I873-K876 PolarHBondContact O-N 3.34Å; I873-H877 HydrophobicContact CG2-CB 3.87Å; I873-H877 VanDerWaalsContact O-CA 3.3Å; I873-H877 WeakPolarHBondContact O-CA 3.49Å; I873-H877 WeakPolarHBondContact O-CB 3.48Å; I873-H877 PolarHBondContact O-N 3.47Å
874L79.8Confident76.7Confident49 Ų4990.4 Ų90.426%0.25745%0.445SS..Hα-helixtrans-42.6-48.9174.7-71.6165.3000111.7Q870 H877 E878Q870-L874 HydrophobicContact CB-CD1 4.22Å; Q870-L874 VanDerWaalsContact O-CA 3.25Å; Q870-L874 WeakPolarHBondContact O-CA 3.04Å; Q870-L874 WeakPolarHBondContact O-CB 3.45Å; Q870-L874 WeakPolarHBondContact O-CD1 3.04Å; Q870-L874 WeakPolarHBondContact O-CG 3.04Å; Q870-L874 PolarHBondContact O-N 3.48Å; L874-H877 CarbonylContact O-C 3.59Å; L874-H877 WeakPolarHBondContact O-CA 3.13Å; L874-H877 PolarHBondContact O-N 3.06Å; L874-H877 VanDerWaalsContact O-N 3.09Å; L874-E878 WeakPolarHBondContact O-CA 3.42Å; L874-E878 WeakPolarHBondContact O-CB 3.5Å; L874-E878 WeakPolarHBondContact O-CG 3.43Å; L874-E878 PolarHBondContact O-N 3.22Å
875T78.7Confident76Confident71 Ų7190.7 Ų90.744%0.43645%0.447SS..Hα-helixtrans-61.4-52.1173.6-57.80000111.6H871 I873 H877 E878 E879H871-T875 VanDerWaalsContact O-CB 3.27Å; H871-T875 WeakPolarHBondContact O-CB 3.42Å; H871-T875 PolarHBondContact O-N 2.92Å; H871-T875 PolarHBondContact O-OG1 3.1Å; I873-T875 VanDerWaalsContact C-N 3.29Å; I873-T875 CarbonylContact O-C 3.45Å; I873-T875 PolarHBondContact O-N 2.73Å; I873-T875 VanDerWaalsContact O-N 3.16Å; T875-H877 PolarHBondContact O-N 3.13Å; T875-H877 VanDerWaalsContact O-N 3.1Å; T875-E878 PolarHBondContact O-N 3.4Å; T875-E879 WeakPolarHBondContact O-CB 3.22Å; T875-E879 WeakPolarHBondContact O-CG 3.28Å; T875-E879 PolarHBondContact O-N 3.24Å
876K80.2Confident75.8Confident130 Ų13093.5 Ų93.557%0.56546%0.46SS*.Hα-helixtrans-65.7-9.9174.1-69.7171.5-179168.60114.3S872 I873 S880S872-K876 WeakPolarHBondContact O-CB 3.47Å; S872-K876 WeakPolarHBondContact O-CD 3.24Å; S872-K876 WeakPolarHBondContact O-CG 3.37Å; S872-K876 PolarHBondContact O-N 3.32Å; I873-K876 CarbonylContact O-C 3.43Å; I873-K876 VanDerWaalsContact O-CA 3.28Å; I873-K876 WeakPolarHBondContact O-CA 3.33Å; I873-K876 PolarHBondContact O-N 3.34Å; K876-S880 WeakPolarHBondContact O-CA 3.27Å; K876-S880 WeakPolarHBondContact O-CB 3.29Å; K876-S880 PolarHBondContact O-N 3.33Å; K876-S880 PolarHBondContact O-OG 3.05Å
877H73.3Confident75.5Confident67 Ų6795.6 Ų95.631%0.3147%0.466SS..THydrogen-bonded Turntrans-126.122.4-174.7-178.2-105.6000109I873 L874 T875 R881I873-H877 HydrophobicContact CG2-CB 3.87Å; I873-H877 VanDerWaalsContact O-CA 3.3Å; I873-H877 WeakPolarHBondContact O-CA 3.49Å; I873-H877 WeakPolarHBondContact O-CB 3.48Å; I873-H877 PolarHBondContact O-N 3.47Å; L874-H877 CarbonylContact O-C 3.59Å; L874-H877 WeakPolarHBondContact O-CA 3.13Å; L874-H877 PolarHBondContact O-N 3.06Å; L874-H877 VanDerWaalsContact O-N 3.09Å; T875-H877 PolarHBondContact O-N 3.13Å; T875-H877 VanDerWaalsContact O-N 3.1Å; H877-R881 PolarHBondContact CE1-NE 3.36Å; H877-R881 VanDerWaalsContact CE1-NE 3.32Å; H877-R881 WeakPolarHBondContact O-CB 3.26Å; H877-R881 WeakPolarHBondContact O-CD 3.08Å; H877-R881 WeakPolarHBondContact O-CG 3.47Å; H877-R881 PolarHBondContact O-N 2.71Å; H877-R881 VanDerWaalsContact O-N 3.09Å
878E78.4Confident74.8Confident111 Ų11192.3 Ų92.352%0.51946%0.456SS..THydrogen-bonded Turntrans-125.8-40.8166-84.3166.8-178.500105L874 T875 A882L874-E878 WeakPolarHBondContact O-CA 3.42Å; L874-E878 WeakPolarHBondContact O-CB 3.5Å; L874-E878 WeakPolarHBondContact O-CG 3.43Å; L874-E878 PolarHBondContact O-N 3.22Å; T875-E878 PolarHBondContact O-N 3.4Å; E878-A882 WeakPolarHBondContact O-CA 3.49Å; E878-A882 WeakPolarHBondContact O-CB 3.39Å; E878-A882 PolarHBondContact O-N 2.7Å
879E75.5Confident75Confident93 Ų9390.2 Ų90.244%0.43545%0.448SS..Hα-helixtrans-56.9-48.7150-68-175.8-149.800111.7T875 A882 R883T875-E879 WeakPolarHBondContact O-CB 3.22Å; T875-E879 WeakPolarHBondContact O-CG 3.28Å; T875-E879 PolarHBondContact O-N 3.24Å; E879-A882 PolarHBondContact O-N 3.14Å; E879-R883 VanDerWaalsContact CB-NH2 3.3Å; E879-R883 WeakPolarHBondContact O-CB 3.27Å; E879-R883 VanDerWaalsContact O-CG 3.32Å; E879-R883 WeakPolarHBondContact O-CG 3.38Å; E879-R883 PolarHBondContact O-N 3.44Å; E879-R883 PolarHBondContact O-NE 3.37Å; E879-R883 IonicContact OE2-CZ 2.69Å; E879-R883 VanDerWaalsContact OE2-CZ 3.3Å; E879-R883 IonicContact OE2-NH1 3.24Å; E879-R883 PolarHBondContact OE2-NH1 3.48Å; E879-R883 IonicContact OE2-NH2 3.8Å; E879-R883 PolarHBondContact OE2-NH2 3.38Å
880S74.7Confident75.1Confident33 Ų3387.5 Ų87.523%0.23144%0.437CS..Hα-helixtrans-90.8-9.4178.3-47.20000114.3K876 R883 L884K876-S880 WeakPolarHBondContact O-CA 3.27Å; K876-S880 WeakPolarHBondContact O-CB 3.29Å; K876-S880 PolarHBondContact O-N 3.33Å; K876-S880 PolarHBondContact O-OG 3.05Å; S880-R883 PolarHBondContact OG-NH2 3.37Å; S880-L884 WeakPolarHBondContact O-CA 3.47Å; S880-L884 WeakPolarHBondContact O-CB 3.38Å; S880-L884 WeakPolarHBondContact O-CD1 3.41Å; S880-L884 WeakPolarHBondContact O-CG 3.34Å; S880-L884 PolarHBondContact O-N 3.01Å
881R59.7Low75.1Confident121 Ų12188.4 Ų88.446%0.45744%0.436SS..Hα-helixtrans-81.4-18.3154.4-84.5170.8172.5156.5-6.6111.6H877 L884 N885H877-R881 PolarHBondContact CE1-NE 3.36Å; H877-R881 VanDerWaalsContact CE1-NE 3.32Å; H877-R881 WeakPolarHBondContact O-CB 3.26Å; H877-R881 WeakPolarHBondContact O-CD 3.08Å; H877-R881 WeakPolarHBondContact O-CG 3.47Å; H877-R881 PolarHBondContact O-N 2.71Å; H877-R881 VanDerWaalsContact O-N 3.09Å; R881-L884 CarbonylContact O-C 3.59Å; R881-N885 VanDerWaalsContact O-CA 3.3Å; R881-N885 WeakPolarHBondContact O-CA 3.47Å; R881-N885 WeakPolarHBondContact O-CB 3.45Å; R881-N885 PolarHBondContact O-N 3.43Å; R881-N885 PolarHBondContact O-OD1 2.69Å
882A78.2Confident74.9Confident54 Ų5486.9 Ų86.945%0.44643%0.429SS..Hα-helixtrans-74.6-51.8166.500000108.6E878 E879 L884 N885 E886E878-A882 WeakPolarHBondContact O-CA 3.49Å; E878-A882 WeakPolarHBondContact O-CB 3.39Å; E878-A882 PolarHBondContact O-N 2.7Å; E879-A882 PolarHBondContact O-N 3.14Å; A882-L884 VanDerWaalsContact C-N 3.3Å; A882-L884 PolarHBondContact O-N 3.43Å; A882-N885 CarbonylContact O-C 3.58Å; A882-N885 PolarHBondContact O-N 2.93Å; A882-N885 VanDerWaalsContact O-N 3.1Å; A882-E886 WeakPolarHBondContact O-CG 3.48Å; A882-E886 PolarHBondContact O-N 3.47Å
883R78.7Confident74.9Confident136 Ų13690 Ų9051%0.51343%0.432SS..Hα-helixtrans-62.8-32.3174.4-64.8177.7-67.5-113.14.1112.9E879 S880 L887E879-R883 VanDerWaalsContact CB-NH2 3.3Å; E879-R883 WeakPolarHBondContact O-CB 3.27Å; E879-R883 VanDerWaalsContact O-CG 3.32Å; E879-R883 WeakPolarHBondContact O-CG 3.38Å; E879-R883 PolarHBondContact O-N 3.44Å; E879-R883 PolarHBondContact O-NE 3.37Å; E879-R883 IonicContact OE2-CZ 2.69Å; E879-R883 VanDerWaalsContact OE2-CZ 3.3Å; E879-R883 IonicContact OE2-NH1 3.24Å; E879-R883 PolarHBondContact OE2-NH1 3.48Å; E879-R883 IonicContact OE2-NH2 3.8Å; E879-R883 PolarHBondContact OE2-NH2 3.38Å; S880-R883 PolarHBondContact OG-NH2 3.37Å; R883-L887 WeakPolarHBondContact O-CB 3.48Å; R883-L887 PolarHBondContact O-N 3.11Å
884L61Low75.3Confident70 Ų7092.3 Ų92.337%0.36643%0.434SS..Hα-helixtrans-91.3-7.5171.2-62166000114.2S880 R881 A882 L887 A888S880-L884 WeakPolarHBondContact O-CA 3.47Å; S880-L884 WeakPolarHBondContact O-CB 3.38Å; S880-L884 WeakPolarHBondContact O-CD1 3.41Å; S880-L884 WeakPolarHBondContact O-CG 3.34Å; S880-L884 PolarHBondContact O-N 3.01Å; R881-L884 CarbonylContact O-C 3.59Å; A882-L884 VanDerWaalsContact C-N 3.3Å; A882-L884 PolarHBondContact O-N 3.43Å; L884-L887 HydrophobicContact CD2-CD2 4.39Å; L884-A888 CarbonylContact O-C 3.58Å; L884-A888 WeakPolarHBondContact O-CA 3.33Å; L884-A888 WeakPolarHBondContact O-CB 3.35Å; L884-A888 PolarHBondContact O-N 3.34Å
885N73Confident75.2Confident87 Ų8792.9 Ų92.947%0.46544%0.44SS..Hα-helixtrans-86.6-31.3162.3-80.6-1000109.4R881 A882 I889R881-N885 VanDerWaalsContact O-CA 3.3Å; R881-N885 WeakPolarHBondContact O-CA 3.47Å; R881-N885 WeakPolarHBondContact O-CB 3.45Å; R881-N885 PolarHBondContact O-N 3.43Å; R881-N885 PolarHBondContact O-OD1 2.69Å; A882-N885 CarbonylContact O-C 3.58Å; A882-N885 PolarHBondContact O-N 2.93Å; A882-N885 VanDerWaalsContact O-N 3.1Å; N885-I889 HydrophobicContact CB-CD1 4.06Å; N885-I889 HydrophobicContact CB-CG1 4.36Å; N885-I889 VanDerWaalsContact O-CA 3.27Å; N885-I889 WeakPolarHBondContact O-CA 3.39Å; N885-I889 WeakPolarHBondContact O-CB 3.5Å; N885-I889 WeakPolarHBondContact O-CD1 3.44Å; N885-I889 WeakPolarHBondContact O-CG1 3.27Å; N885-I889 PolarHBondContact O-N 3.27Å
886E75.6Confident75.2Confident146 Ų14694.3 Ų94.368%0.68244%0.442SS*.Hα-helixtrans-67.6-57.2166.7-70.8-58.4131.300109.1A882 A888 E890A882-E886 WeakPolarHBondContact O-CG 3.48Å; A882-E886 PolarHBondContact O-N 3.47Å; E886-A888 VanDerWaalsContact C-N 3.27Å; E886-A888 PolarHBondContact O-N 2.98Å; E886-E890 VanDerWaalsContact O-CB 3.28Å; E886-E890 WeakPolarHBondContact O-CB 3.49Å; E886-E890 PolarHBondContact O-N 2.8Å
887L71.3Confident75.1Confident83 Ų8392.2 Ų92.244%0.43543%0.434SS..Hα-helixtrans-70.6-19.7-179.1-172.557.4000113.4R883 L884 R891R883-L887 WeakPolarHBondContact O-CB 3.48Å; R883-L887 PolarHBondContact O-N 3.11Å; L884-L887 HydrophobicContact CD2-CD2 4.39Å; L887-R891 VanDerWaalsContact O-CB 3.24Å; L887-R891 WeakPolarHBondContact O-CB 3.45Å; L887-R891 VanDerWaalsContact O-CD 3.25Å; L887-R891 WeakPolarHBondContact O-CD 3.41Å; L887-R891 WeakPolarHBondContact O-CG 3.49Å; L887-R891 PolarHBondContact O-N 3.08Å
888A69.4Low75.3Confident29 Ų2994.2 Ų94.224%0.2444%0.442CS..Hα-helixtrans-123.514.3175.200000116.6L884 E886 R891 Q892L884-A888 CarbonylContact O-C 3.58Å; L884-A888 WeakPolarHBondContact O-CA 3.33Å; L884-A888 WeakPolarHBondContact O-CB 3.35Å; L884-A888 PolarHBondContact O-N 3.34Å; E886-A888 VanDerWaalsContact C-N 3.27Å; E886-A888 PolarHBondContact O-N 2.98Å; A888-R891 HydrophobicContact CB-CB 3.89Å; A888-Q892 WeakPolarHBondContact O-CA 3.17Å; A888-Q892 WeakPolarHBondContact O-CB 3.44Å; A888-Q892 PolarHBondContact O-N 3.22Å
889I82.2Confident75.3Confident101 Ų10193.7 Ų93.752%0.51844%0.442SS..Hα-helixtrans-84.6-33139.3-64.4163000107.6N885 R893N885-I889 HydrophobicContact CB-CD1 4.06Å; N885-I889 HydrophobicContact CB-CG1 4.36Å; N885-I889 VanDerWaalsContact O-CA 3.27Å; N885-I889 WeakPolarHBondContact O-CA 3.39Å; N885-I889 WeakPolarHBondContact O-CB 3.5Å; N885-I889 WeakPolarHBondContact O-CD1 3.44Å; N885-I889 WeakPolarHBondContact O-CG1 3.27Å; N885-I889 PolarHBondContact O-N 3.27Å; I889-R893 WeakPolarHBondContact O-CA 3.43Å; I889-R893 WeakPolarHBondContact O-CB 3.12Å; I889-R893 PolarHBondContact O-N 3.04Å
890E79.6Confident75.4Confident59 Ų5993.4 Ų93.428%0.27645%0.449SS..Hα-helixtrans-72.3-39.6168.7178.258.8-176.900111.8E886 R893 R894E886-E890 VanDerWaalsContact O-CB 3.28Å; E886-E890 WeakPolarHBondContact O-CB 3.49Å; E886-E890 PolarHBondContact O-N 2.8Å; E890-R893 VanDerWaalsContact CD-NH2 3.27Å; E890-R893 IonicContact OE1-NH2 2.64Å; E890-R893 PolarHBondContact OE1-NH2 3.31Å; E890-R893 IonicContact OE2-CZ 2.87Å; E890-R893 IonicContact OE2-NE 2.65Å; E890-R893 PolarHBondContact OE2-NE 3.11Å; E890-R893 IonicContact OE2-NH2 3.9Å; E890-R893 PolarHBondContact OE2-NH2 3.36Å; E890-R894 VanDerWaalsContact O-CB 3.24Å; E890-R894 WeakPolarHBondContact O-CB 3.48Å; E890-R894 WeakPolarHBondContact O-CG 3.22Å; E890-R894 PolarHBondContact O-N 3.04Å; E890-R894 IonicContact OE1-CZ 2.9Å; E890-R894 IonicContact OE1-NE 2.75Å; E890-R894 PolarHBondContact OE1-NE 3.09Å; E890-R894 IonicContact OE1-NH2 2.72Å; E890-R894 PolarHBondContact OE1-NH2 3.37Å
891R77.1Confident75.4Confident130 Ų13097.4 Ų97.449%0.49146%0.459SS..Hα-helixtrans-68.3-45.1165.6-68.4156.9-178.5177.91.3111.4L887 A888 R893 R894 T895L887-R891 VanDerWaalsContact O-CB 3.24Å; L887-R891 WeakPolarHBondContact O-CB 3.45Å; L887-R891 VanDerWaalsContact O-CD 3.25Å; L887-R891 WeakPolarHBondContact O-CD 3.41Å; L887-R891 WeakPolarHBondContact O-CG 3.49Å; L887-R891 PolarHBondContact O-N 3.08Å; A888-R891 HydrophobicContact CB-CB 3.89Å; R891-R893 PolarHBondContact O-N 3.39Å; R891-R894 CarbonylContact O-C 3.56Å; R891-R894 VanDerWaalsContact O-C 3.32Å; R891-R894 WeakPolarHBondContact O-CA 3.45Å; R891-R894 PolarHBondContact O-N 2.69Å; R891-R894 VanDerWaalsContact O-N 3.09Å; R891-T895 WeakPolarHBondContact O-CA 3.14Å; R891-T895 WeakPolarHBondContact O-CB 3.44Å; R891-T895 WeakPolarHBondContact O-CG2 3.48Å; R891-T895 PolarHBondContact O-N 3.29Å; R891-T895 PolarHBondContact O-OG1 3.48Å
892Q72.1Confident76.2Confident102 Ų10295.1 Ų95.148%0.47745%0.454SS..Hα-helixtrans-62.4-44.6178.3179.6168-19.500111A888 R894 T895 E896A888-Q892 WeakPolarHBondContact O-CA 3.17Å; A888-Q892 WeakPolarHBondContact O-CB 3.44Å; A888-Q892 PolarHBondContact O-N 3.22Å; Q892-R894 PolarHBondContact O-N 3.36Å; Q892-T895 WeakPolarHBondContact CA-OG1 3.26Å; Q892-T895 CarbonylContact O-C 3.57Å; Q892-T895 VanDerWaalsContact O-C 3.29Å; Q892-T895 WeakPolarHBondContact O-CA 3.24Å; Q892-T895 PolarHBondContact O-N 2.99Å; Q892-E896 VanDerWaalsContact CG-CD 3.41Å; Q892-E896 HydrophobicContact CG-CG 3.76Å; Q892-E896 VanDerWaalsContact CG-OE1 3.32Å; Q892-E896 WeakPolarHBondContact CG-OE1 3.33Å; Q892-E896 PolarHBondContact NE2-OE1 3.28Å; Q892-E896 WeakPolarHBondContact O-CA 3.46Å; Q892-E896 WeakPolarHBondContact O-CB 3.31Å; Q892-E896 VanDerWaalsContact O-CG 3.28Å; Q892-E896 WeakPolarHBondContact O-CG 3.26Å; Q892-E896 PolarHBondContact O-N 3.07Å
893R81.6Confident76.2Confident122 Ų12297 Ų9746%0.4645%0.454SS..Hα-helixtrans-56.2-46.5169.2-169.8-172.172.676.90.7111.4I889 E890 R891 T895 E897I889-R893 WeakPolarHBondContact O-CA 3.43Å; I889-R893 WeakPolarHBondContact O-CB 3.12Å; I889-R893 PolarHBondContact O-N 3.04Å; E890-R893 VanDerWaalsContact CD-NH2 3.27Å; E890-R893 IonicContact OE1-NH2 2.64Å; E890-R893 PolarHBondContact OE1-NH2 3.31Å; E890-R893 IonicContact OE2-CZ 2.87Å; E890-R893 IonicContact OE2-NE 2.65Å; E890-R893 PolarHBondContact OE2-NE 3.11Å; E890-R893 IonicContact OE2-NH2 3.9Å; E890-R893 PolarHBondContact OE2-NH2 3.36Å; R891-R893 PolarHBondContact O-N 3.39Å; R893-T895 VanDerWaalsContact C-N 3.29Å; R893-T895 PolarHBondContact O-N 3.1Å; R893-E897 WeakPolarHBondContact O-CB 3.46Å; R893-E897 PolarHBondContact O-N 2.97Å
894R81.4Confident76.4Confident144 Ų14492.1 Ų92.154%0.54344%0.442SS..Hα-helixtrans-68.6-20.8173.7-74.4180-163.9-162.57.8114.3E890 R891 Q892 K898E890-R894 VanDerWaalsContact O-CB 3.24Å; E890-R894 WeakPolarHBondContact O-CB 3.48Å; E890-R894 WeakPolarHBondContact O-CG 3.22Å; E890-R894 PolarHBondContact O-N 3.04Å; E890-R894 IonicContact OE1-CZ 2.9Å; E890-R894 IonicContact OE1-NE 2.75Å; E890-R894 PolarHBondContact OE1-NE 3.09Å; E890-R894 IonicContact OE1-NH2 2.72Å; E890-R894 PolarHBondContact OE1-NH2 3.37Å; R891-R894 CarbonylContact O-C 3.56Å; R891-R894 VanDerWaalsContact O-C 3.32Å; R891-R894 WeakPolarHBondContact O-CA 3.45Å; R891-R894 PolarHBondContact O-N 2.69Å; R891-R894 VanDerWaalsContact O-N 3.09Å; Q892-R894 PolarHBondContact O-N 3.36Å; R894-K898 WeakPolarHBondContact O-CA 2.97Å; R894-K898 WeakPolarHBondContact O-CB 3.34Å; R894-K898 PolarHBondContact O-N 2.86Å
895T76.6Confident77.5Confident62 Ų6290.1 Ų90.138%0.3844%0.436SS..Hα-helixtrans-107.3-5.3-178.864.10000113.7R891 Q892 R893 L899R891-T895 WeakPolarHBondContact O-CA 3.14Å; R891-T895 WeakPolarHBondContact O-CB 3.44Å; R891-T895 WeakPolarHBondContact O-CG2 3.48Å; R891-T895 PolarHBondContact O-N 3.29Å; R891-T895 PolarHBondContact O-OG1 3.48Å; Q892-T895 WeakPolarHBondContact CA-OG1 3.26Å; Q892-T895 CarbonylContact O-C 3.57Å; Q892-T895 VanDerWaalsContact O-C 3.29Å; Q892-T895 WeakPolarHBondContact O-CA 3.24Å; Q892-T895 PolarHBondContact O-N 2.99Å; R893-T895 VanDerWaalsContact C-N 3.29Å; R893-T895 PolarHBondContact O-N 3.1Å; T895-L899 WeakPolarHBondContact O-CA 3.43Å; T895-L899 WeakPolarHBondContact O-CB 3.38Å; T895-L899 VanDerWaalsContact O-CD1 3.3Å; T895-L899 WeakPolarHBondContact O-CD1 3.35Å; T895-L899 WeakPolarHBondContact O-CG 3.06Å; T895-L899 PolarHBondContact O-N 2.81Å
896E79.4Confident77.9Confident100 Ų10090.8 Ų90.847%0.46743%0.434SS..Hα-helixtrans-92-31.2158.8-74.5172.2162.500107.9Q892 C900Q892-E896 VanDerWaalsContact CG-CD 3.41Å; Q892-E896 HydrophobicContact CG-CG 3.76Å; Q892-E896 VanDerWaalsContact CG-OE1 3.32Å; Q892-E896 WeakPolarHBondContact CG-OE1 3.33Å; Q892-E896 PolarHBondContact NE2-OE1 3.28Å; Q892-E896 WeakPolarHBondContact O-CA 3.46Å; Q892-E896 WeakPolarHBondContact O-CB 3.31Å; Q892-E896 VanDerWaalsContact O-CG 3.28Å; Q892-E896 WeakPolarHBondContact O-CG 3.26Å; Q892-E896 PolarHBondContact O-N 3.07Å; E896-C900 VanDerWaalsContact O-CA 3.31Å; E896-C900 WeakPolarHBondContact O-CA 3.36Å; E896-C900 WeakPolarHBondContact O-CB 3.43Å; E896-C900 PolarHBondContact O-N 3.29Å
897E77.5Confident78.2Confident87 Ų8788.6 Ų88.641%0.40743%0.426SS..Hα-helixtrans-73.4-35162.2-153.8-155.1130.600110R893 R901R893-E897 WeakPolarHBondContact O-CB 3.46Å; R893-E897 PolarHBondContact O-N 2.97Å; E897-R901 WeakPolarHBondContact O-CB 3.25Å; E897-R901 WeakPolarHBondContact O-CG 3.42Å; E897-R901 PolarHBondContact O-N 3.14Å; E897-R901 PolarHBondContact O-NE 3.12Å; E897-R901 PolarHBondContact O-NH1 3.41Å; E897-R901 IonicContact OE1-CZ 3.75Å; E897-R901 IonicContact OE1-NE 3.53Å; E897-R901 PolarHBondContact OE1-NE 3.06Å; E897-R901 IonicContact OE1-NH2 2.95Å; E897-R901 PolarHBondContact OE1-NH2 3.16Å; E897-R901 IonicContact OE2-NH2 2.89Å
898K77.7Confident78.9Confident109 Ų10991.5 Ų91.547%0.47443%0.431SS..Hα-helixtrans-73.1-42.3168.9-163.2-164.6167.3-160.10111.4R894 R901 E902R894-K898 WeakPolarHBondContact O-CA 2.97Å; R894-K898 WeakPolarHBondContact O-CB 3.34Å; R894-K898 PolarHBondContact O-N 2.86Å; K898-R901 CarbonylContact O-C 3.52Å; K898-R901 PolarHBondContact O-N 2.85Å; K898-E902 WeakPolarHBondContact CE-OE2 3.38Å; K898-E902 IonicContact NZ-OE2 3.94Å; K898-E902 WeakPolarHBondContact O-CA 3.12Å; K898-E902 WeakPolarHBondContact O-CB 3.28Å; K898-E902 PolarHBondContact O-N 3.04Å
899L78.4Confident79.5Confident100 Ų10096.2 Ų96.252%0.52444%0.443SS..Hα-helixtrans-71.7-36.4176.6-77.7165.2000110.6T895 E902 E903T895-L899 WeakPolarHBondContact O-CA 3.43Å; T895-L899 WeakPolarHBondContact O-CB 3.38Å; T895-L899 VanDerWaalsContact O-CD1 3.3Å; T895-L899 WeakPolarHBondContact O-CD1 3.35Å; T895-L899 WeakPolarHBondContact O-CG 3.06Å; T895-L899 PolarHBondContact O-N 2.81Å; L899-E902 CarbonylContact O-C 3.57Å; L899-E902 PolarHBondContact O-N 3.19Å; L899-E903 VanDerWaalsContact O-CA 3.25Å; L899-E903 WeakPolarHBondContact O-CA 3.47Å; L899-E903 WeakPolarHBondContact O-CB 3.37Å; L899-E903 PolarHBondContact O-N 2.92Å
900C77.6Confident79.5Confident86 Ų8698.1 Ų98.158%0.58144%0.444SS*.Hα-helixtrans-67-38.3168.7-173.40000110.7E896 A904E896-C900 VanDerWaalsContact O-CA 3.31Å; E896-C900 WeakPolarHBondContact O-CA 3.36Å; E896-C900 WeakPolarHBondContact O-CB 3.43Å; E896-C900 PolarHBondContact O-N 3.29Å; C900-A904 WeakPolarHBondContact O-CA 3.41Å; C900-A904 WeakPolarHBondContact O-CB 3.31Å; C900-A904 PolarHBondContact O-N 3.18Å
901R74.9Confident80Confident117 Ų11798 Ų9844%0.44245%0.453SS..Hα-helixtrans-68.6-31.9171.6-76.1-176-97.995.7-10.4113E897 K898 A905 R908E897-R901 WeakPolarHBondContact O-CB 3.25Å; E897-R901 WeakPolarHBondContact O-CG 3.42Å; E897-R901 PolarHBondContact O-N 3.14Å; E897-R901 PolarHBondContact O-NE 3.12Å; E897-R901 PolarHBondContact O-NH1 3.41Å; E897-R901 IonicContact OE1-CZ 3.75Å; E897-R901 IonicContact OE1-NE 3.53Å; E897-R901 PolarHBondContact OE1-NE 3.06Å; E897-R901 IonicContact OE1-NH2 2.95Å; E897-R901 PolarHBondContact OE1-NH2 3.16Å; E897-R901 IonicContact OE2-NH2 2.89Å; K898-R901 CarbonylContact O-C 3.52Å; K898-R901 PolarHBondContact O-N 2.85Å; R901-A905 WeakPolarHBondContact O-CB 3.45Å; R901-A905 PolarHBondContact O-N 3.37Å; R901-R908 PolarHBondContact O-NH2 3.07Å
902E77.3Confident80.2Confident73 Ų7397.5 Ų97.534%0.34146%0.459SS..Hα-helixtrans-89.7-26.8-175.4178.9162-173.400112.5K898 L899 A905 K906 R909K898-E902 WeakPolarHBondContact CE-OE2 3.38Å; K898-E902 IonicContact NZ-OE2 3.94Å; K898-E902 WeakPolarHBondContact O-CA 3.12Å; K898-E902 WeakPolarHBondContact O-CB 3.28Å; K898-E902 PolarHBondContact O-N 3.04Å; L899-E902 CarbonylContact O-C 3.57Å; L899-E902 PolarHBondContact O-N 3.19Å; E902-A905 VanDerWaalsContact C-N 3.33Å; E902-A905 CarbonylContact O-C 3.57Å; E902-A905 VanDerWaalsContact O-CA 3.29Å; E902-A905 WeakPolarHBondContact O-CA 3.16Å; E902-A905 WeakPolarHBondContact O-CB 3.45Å; E902-A905 PolarHBondContact O-N 2.93Å; E902-K906 WeakPolarHBondContact O-CA 3.43Å; E902-K906 VanDerWaalsContact O-CB 3.3Å; E902-K906 WeakPolarHBondContact O-CB 3.4Å; E902-K906 PolarHBondContact O-N 3.09Å; E902-R909 PolarHBondContact O-NH2 3.27Å; E902-R909 IonicContact OE1-NH2 3.8Å; E902-R909 PolarHBondContact OE1-NH2 2.97Å
903E77.2Confident80.4Confident95 Ų9596.9 Ų96.944%0.44446%0.456SS..Hα-helixtrans-89.7-37.1172.7-176.8157.4-13000110.1L899 A905 K906 I907L899-E903 VanDerWaalsContact O-CA 3.25Å; L899-E903 WeakPolarHBondContact O-CA 3.47Å; L899-E903 WeakPolarHBondContact O-CB 3.37Å; L899-E903 PolarHBondContact O-N 2.92Å; E903-A905 PolarHBondContact O-N 2.89Å; E903-K906 CarbonylContact O-C 3.44Å; E903-K906 WeakPolarHBondContact O-CA 3.19Å; E903-K906 PolarHBondContact O-N 3.38Å; E903-I907 HydrophobicContact CG-CD1 4.01Å; E903-I907 HydrophobicContact CG-CG1 4.27Å; E903-I907 WeakPolarHBondContact O-CA 3.24Å; E903-I907 WeakPolarHBondContact O-CB 3.44Å; E903-I907 VanDerWaalsContact O-CG1 3.22Å; E903-I907 WeakPolarHBondContact O-CG1 3.1Å; E903-I907 PolarHBondContact O-N 2.93Å
904A83.5Confident80.7Confident32 Ų3293.8 Ų93.826%0.26446%0.457SS..Hα-helixtrans-60.4-29.2154.800000109.9C900 R908C900-A904 WeakPolarHBondContact O-CA 3.41Å; C900-A904 WeakPolarHBondContact O-CB 3.31Å; C900-A904 PolarHBondContact O-N 3.18Å; A904-R908 WeakPolarHBondContact O-CA 3.08Å; A904-R908 WeakPolarHBondContact O-CB 3.1Å; A904-R908 WeakPolarHBondContact O-CG 3.44Å; A904-R908 PolarHBondContact O-N 3.43Å; A904-R908 PolarHBondContact O-NE 2.84Å
905A84.2Confident81.1Confident29 Ų2989.1 Ų89.124%0.2445%0.446CS..Hα-helixtrans-81.5-9.616700000114.5R901 E902 E903 R909R901-A905 WeakPolarHBondContact O-CB 3.45Å; R901-A905 PolarHBondContact O-N 3.37Å; E902-A905 VanDerWaalsContact C-N 3.33Å; E902-A905 CarbonylContact O-C 3.57Å; E902-A905 VanDerWaalsContact O-CA 3.29Å; E902-A905 WeakPolarHBondContact O-CA 3.16Å; E902-A905 WeakPolarHBondContact O-CB 3.45Å; E902-A905 PolarHBondContact O-N 2.93Å; E903-A905 PolarHBondContact O-N 2.89Å; A905-R909 WeakPolarHBondContact O-CB 2.86Å; A905-R909 WeakPolarHBondContact O-CG 3.31Å; A905-R909 PolarHBondContact O-N 3.1Å; A905-R909 PolarHBondContact O-NE 2.91Å
906K81Confident81.8Confident100 Ų10090.9 Ų90.944%0.43545%0.446SS..Hα-helixtrans-97.3-32.4178.1-163.1177.6-179.3179.50109.5E902 E903 R910E902-K906 WeakPolarHBondContact O-CA 3.43Å; E902-K906 VanDerWaalsContact O-CB 3.3Å; E902-K906 WeakPolarHBondContact O-CB 3.4Å; E902-K906 PolarHBondContact O-N 3.09Å; E903-K906 CarbonylContact O-C 3.44Å; E903-K906 WeakPolarHBondContact O-CA 3.19Å; E903-K906 PolarHBondContact O-N 3.38Å; K906-R910 WeakPolarHBondContact O-CA 2.92Å; K906-R910 WeakPolarHBondContact O-CB 3.25Å; K906-R910 WeakPolarHBondContact O-CD 3.33Å; K906-R910 WeakPolarHBondContact O-CG 2.96Å; K906-R910 PolarHBondContact O-N 2.96Å
907I82.5Confident82.1Confident101 Ų10190.6 Ų90.652%0.51845%0.447SS..Hα-helixtrans-71.5-45.6162.6-63.6165.1000108.6E903 R910 A911E903-I907 HydrophobicContact CG-CD1 4.01Å; E903-I907 HydrophobicContact CG-CG1 4.27Å; E903-I907 WeakPolarHBondContact O-CA 3.24Å; E903-I907 WeakPolarHBondContact O-CB 3.44Å; E903-I907 VanDerWaalsContact O-CG1 3.22Å; E903-I907 WeakPolarHBondContact O-CG1 3.1Å; E903-I907 PolarHBondContact O-N 2.93Å; I907-R910 CarbonylContact O-C 3.57Å; I907-R910 PolarHBondContact O-N 3.23Å; I907-A911 WeakPolarHBondContact O-CA 3.48Å; I907-A911 WeakPolarHBondContact O-CB 3.3Å; I907-A911 PolarHBondContact O-N 3.41Å
908R86.6Confident82.6Confident143 Ų14389.4 Ų89.454%0.5445%0.452SS..Hα-helixtrans-63.2-39.9168.7-74.5174.4-67.2-113.7-0.8111.9R901 A904 A911 L912R901-R908 PolarHBondContact O-NH2 3.07Å; A904-R908 WeakPolarHBondContact O-CA 3.08Å; A904-R908 WeakPolarHBondContact O-CB 3.1Å; A904-R908 WeakPolarHBondContact O-CG 3.44Å; A904-R908 PolarHBondContact O-N 3.43Å; A904-R908 PolarHBondContact O-NE 2.84Å; R908-A911 PolarHBondContact O-N 2.73Å; R908-L912 VanDerWaalsContact O-CB 3.24Å; R908-L912 WeakPolarHBondContact O-CB 3.45Å; R908-L912 PolarHBondContact O-N 2.94Å
909R80.3Confident83.1Confident128 Ų12892 Ų9248%0.48346%0.459SS..Hα-helixtrans-64.7-49.3172.5-84.1175-72.7-178.5-2.2111.5E902 A905 A911 L912 E913E902-R909 PolarHBondContact O-NH2 3.27Å; E902-R909 IonicContact OE1-NH2 3.8Å; E902-R909 PolarHBondContact OE1-NH2 2.97Å; A905-R909 WeakPolarHBondContact O-CB 2.86Å; A905-R909 WeakPolarHBondContact O-CG 3.31Å; A905-R909 PolarHBondContact O-N 3.1Å; A905-R909 PolarHBondContact O-NE 2.91Å; R909-A911 VanDerWaalsContact C-N 3.28Å; R909-A911 PolarHBondContact O-N 2.83Å; R909-L912 CarbonylContact O-C 3.57Å; R909-L912 PolarHBondContact O-N 2.89Å; R909-E913 WeakPolarHBondContact O-CA 3.4Å; R909-E913 WeakPolarHBondContact O-CB 3.47Å; R909-E913 PolarHBondContact O-N 3.06Å
910R83.9Confident83.3Confident142 Ų14290.1 Ų90.154%0.53645%0.449SS..Hα-helixtrans-62.8-28.9175.4-77.8165170.9167.6-9112.6K906 I907 A914K906-R910 WeakPolarHBondContact O-CA 2.92Å; K906-R910 WeakPolarHBondContact O-CB 3.25Å; K906-R910 WeakPolarHBondContact O-CD 3.33Å; K906-R910 WeakPolarHBondContact O-CG 2.96Å; K906-R910 PolarHBondContact O-N 2.96Å; I907-R910 CarbonylContact O-C 3.57Å; I907-R910 PolarHBondContact O-N 3.23Å; R910-A914 WeakPolarHBondContact O-CA 3.39Å; R910-A914 WeakPolarHBondContact O-CB 3.37Å; R910-A914 PolarHBondContact O-N 3.31Å
911A89.1Confident83.5Confident56 Ų5690.5 Ų90.546%0.46345%0.445SS..Hα-helixtrans-84.7-33.9175.100000111.7I907 R908 R909 E913 S915I907-A911 WeakPolarHBondContact O-CA 3.48Å; I907-A911 WeakPolarHBondContact O-CB 3.3Å; I907-A911 PolarHBondContact O-N 3.41Å; R908-A911 PolarHBondContact O-N 2.73Å; R909-A911 VanDerWaalsContact C-N 3.28Å; R909-A911 PolarHBondContact O-N 2.83Å; A911-E913 VanDerWaalsContact C-N 3.27Å; A911-S915 WeakPolarHBondContact O-CA 3.39Å; A911-S915 WeakPolarHBondContact O-CB 3.37Å; A911-S915 PolarHBondContact O-N 2.93Å
912L82.4Confident84.2Confident120 Ų12086.8 Ų86.863%0.62844%0.44SS*.Hα-helixtrans-65.4-33.4165.1-102.8157.8000111.3R908 R909 S915 R916R908-L912 VanDerWaalsContact O-CB 3.24Å; R908-L912 WeakPolarHBondContact O-CB 3.45Å; R908-L912 PolarHBondContact O-N 2.94Å; R909-L912 CarbonylContact O-C 3.57Å; R909-L912 PolarHBondContact O-N 2.89Å; L912-S915 CarbonylContact O-C 3.59Å; L912-R916 WeakPolarHBondContact O-CA 3.34Å; L912-R916 WeakPolarHBondContact O-CB 3.31Å; L912-R916 PolarHBondContact O-N 3.3Å
913E76.4Confident84.6Confident88 Ų8886.2 Ų86.241%0.41144%0.439SS..Hα-helixtrans-82.1-41.3179.7-179.6138.4-116.800111.6R909 A911 S915 R916 L917R909-E913 WeakPolarHBondContact O-CA 3.4Å; R909-E913 WeakPolarHBondContact O-CB 3.47Å; R909-E913 PolarHBondContact O-N 3.06Å; A911-E913 VanDerWaalsContact C-N 3.27Å; E913-S915 VanDerWaalsContact C-N 3.3Å; E913-S915 PolarHBondContact O-N 3.39Å; E913-R916 CarbonylContact O-C 2.92Å; E913-R916 WeakPolarHBondContact O-CA 3.26Å; E913-R916 WeakPolarHBondContact O-CB 3.37Å; E913-R916 PolarHBondContact O-N 3.44Å; E913-R916 VanDerWaalsContact O-N 3.09Å; E913-R916 IonicContact OE1-CZ 3.72Å; E913-R916 IonicContact OE1-NE 3.16Å; E913-R916 PolarHBondContact OE1-NE 2.97Å; E913-R916 IonicContact OE1-NH2 2.63Å; E913-R916 PolarHBondContact OE1-NH2 2.84Å; E913-L917 HydrophobicContact CG-CD1 4.02Å; E913-L917 HydrophobicContact CG-CG 4.39Å; E913-L917 VanDerWaalsContact O-CB 3.28Å; E913-L917 WeakPolarHBondContact O-CB 3.5Å; E913-L917 WeakPolarHBondContact O-CG 3.47Å; E913-L917 PolarHBondContact O-N 3.48Å
914A86.3Confident85Confident57 Ų5786.7 Ų86.747%0.47144%0.441SS..Hα-helixtrans-64.9-35.6167.400000110.6R910 A918R910-A914 WeakPolarHBondContact O-CA 3.39Å; R910-A914 WeakPolarHBondContact O-CB 3.37Å; R910-A914 PolarHBondContact O-N 3.31Å; A914-A918 WeakPolarHBondContact O-CB 3.19Å; A914-A918 PolarHBondContact O-N 2.86Å
915S90.2Very high85.3Confident46 Ų4686.8 Ų86.832%0.32244%0.442SS..Hα-helixtrans-71.4-28.5169.2-1700000112.1A911 L912 E913 R919A911-S915 WeakPolarHBondContact O-CA 3.39Å; A911-S915 WeakPolarHBondContact O-CB 3.37Å; A911-S915 PolarHBondContact O-N 2.93Å; L912-S915 CarbonylContact O-C 3.59Å; E913-S915 VanDerWaalsContact C-N 3.3Å; E913-S915 PolarHBondContact O-N 3.39Å; S915-R919 WeakPolarHBondContact O-CB 3.47Å; S915-R919 WeakPolarHBondContact O-CG 3.24Å; S915-R919 PolarHBondContact O-N 3.23Å; S915-R919 PolarHBondContact OG-NE 3.37Å
916R91.8Very high85.5Confident99 Ų9993.6 Ų93.637%0.37446%0.461SS..Hα-helixtrans-71.3-45.3172.6-178.3-176.676.1105.1-7.3110.3L912 E913 R919 L920L912-R916 WeakPolarHBondContact O-CA 3.34Å; L912-R916 WeakPolarHBondContact O-CB 3.31Å; L912-R916 PolarHBondContact O-N 3.3Å; E913-R916 CarbonylContact O-C 2.92Å; E913-R916 WeakPolarHBondContact O-CA 3.26Å; E913-R916 WeakPolarHBondContact O-CB 3.37Å; E913-R916 PolarHBondContact O-N 3.44Å; E913-R916 VanDerWaalsContact O-N 3.09Å; E913-R916 IonicContact OE1-CZ 3.72Å; E913-R916 IonicContact OE1-NE 3.16Å; E913-R916 PolarHBondContact OE1-NE 2.97Å; E913-R916 IonicContact OE1-NH2 2.63Å; E913-R916 PolarHBondContact OE1-NH2 2.84Å; R916-R919 CarbonylContact O-C 3.55Å; R916-R919 PolarHBondContact O-N 2.88Å; R916-L920 HydrophobicContact CG-CD1 3.99Å; R916-L920 HydrophobicContact CG-CG 4.44Å; R916-L920 VanDerWaalsContact O-CB 3.25Å; R916-L920 WeakPolarHBondContact O-CB 3.3Å; R916-L920 WeakPolarHBondContact O-CG 3.32Å; R916-L920 PolarHBondContact O-N 2.75Å
917L85.1Confident85.4Confident95 Ų9594.4 Ų94.450%0.49746%0.462SS..Hα-helixtrans-67.9-45.7177.6-70.6167.7000110E913 R919 L920 D921E913-L917 HydrophobicContact CG-CD1 4.02Å; E913-L917 HydrophobicContact CG-CG 4.39Å; E913-L917 VanDerWaalsContact O-CB 3.28Å; E913-L917 WeakPolarHBondContact O-CB 3.5Å; E913-L917 WeakPolarHBondContact O-CG 3.47Å; E913-L917 PolarHBondContact O-N 3.48Å; L917-R919 VanDerWaalsContact C-N 3.32Å; L917-R919 PolarHBondContact O-N 3.38Å; L917-L920 CarbonylContact O-C 3.5Å; L917-L920 PolarHBondContact O-N 2.83Å; L917-L920 VanDerWaalsContact O-N 3.13Å; L917-D921 WeakPolarHBondContact O-CB 3.31Å; L917-D921 PolarHBondContact O-N 3.32Å
918A88Confident85.7Confident61 Ų6195.8 Ų95.850%0.50446%0.464SS..Hα-helixtrans-65.9-30171.200000112.7A914 A922A914-A918 WeakPolarHBondContact O-CB 3.19Å; A914-A918 PolarHBondContact O-N 2.86Å; A918-A922 WeakPolarHBondContact O-CA 3.41Å; A918-A922 WeakPolarHBondContact O-CB 3.45Å; A918-A922 PolarHBondContact O-N 3.18Å
919R87.8Confident85.7Confident164 Ų16492.9 Ų92.962%0.61946%0.458SS*.Hα-helixtrans-73.3-33.6169-80.9174.9-146.9-155.74.1112.7S915 R916 L917 L923S915-R919 WeakPolarHBondContact O-CB 3.47Å; S915-R919 WeakPolarHBondContact O-CG 3.24Å; S915-R919 PolarHBondContact O-N 3.23Å; S915-R919 PolarHBondContact OG-NE 3.37Å; R916-R919 CarbonylContact O-C 3.55Å; R916-R919 PolarHBondContact O-N 2.88Å; L917-R919 VanDerWaalsContact C-N 3.32Å; L917-R919 PolarHBondContact O-N 3.38Å; R919-L923 WeakPolarHBondContact O-CB 3.17Å; R919-L923 WeakPolarHBondContact O-CG 3.33Å; R919-L923 PolarHBondContact O-N 2.95Å
920L83.6Confident86.1Confident60 Ų6094.4 Ų94.431%0.31446%0.464SS..Hα-helixtrans-73.9-46.4178.4-80.6170.5000110R916 L917 L923 Q924R916-L920 HydrophobicContact CG-CD1 3.99Å; R916-L920 HydrophobicContact CG-CG 4.44Å; R916-L920 VanDerWaalsContact O-CB 3.25Å; R916-L920 WeakPolarHBondContact O-CB 3.3Å; R916-L920 WeakPolarHBondContact O-CG 3.32Å; R916-L920 PolarHBondContact O-N 2.75Å; L917-L920 CarbonylContact O-C 3.5Å; L917-L920 PolarHBondContact O-N 2.83Å; L917-L920 VanDerWaalsContact O-N 3.13Å; L920-L923 CarbonylContact O-C 3.52Å; L920-L923 WeakPolarHBondContact O-CA 3.28Å; L920-L923 WeakPolarHBondContact O-CB 3.48Å; L920-L923 PolarHBondContact O-N 3.38Å; L920-L923 VanDerWaalsContact O-N 3.09Å; L920-Q924 VanDerWaalsContact O-CB 3.27Å; L920-Q924 WeakPolarHBondContact O-CB 3.13Å; L920-Q924 PolarHBondContact O-N 3.4Å
921D82.3Confident86.1Confident94 Ų9490.3 Ų90.350%0.50346%0.461SS..Hα-helixtrans-66.1-43.4171.5-178.955.6000110.9L917 L923 Q924 A925L917-D921 WeakPolarHBondContact O-CB 3.31Å; L917-D921 PolarHBondContact O-N 3.32Å; D921-L923 PolarHBondContact O-N 3.09Å; D921-Q924 CarbonylContact O-C 3.51Å; D921-Q924 WeakPolarHBondContact O-CA 3.44Å; D921-Q924 PolarHBondContact O-N 2.83Å; D921-A925 VanDerWaalsContact O-CB 3.25Å; D921-A925 WeakPolarHBondContact O-CB 3.38Å; D921-A925 PolarHBondContact O-N 2.66Å
922A89.9Confident86.2Confident40 Ų4093.8 Ų93.833%0.33147%0.467SS..Hα-helixtrans-62.6-27.8169.200000112.5A918 R926A918-A922 WeakPolarHBondContact O-CA 3.41Å; A918-A922 WeakPolarHBondContact O-CB 3.45Å; A918-A922 PolarHBondContact O-N 3.18Å; A922-R926 WeakPolarHBondContact O-CB 3.45Å; A922-R926 WeakPolarHBondContact O-CD 3.35Å; A922-R926 WeakPolarHBondContact O-CG 3.48Å; A922-R926 PolarHBondContact O-N 3.46Å
923L85Confident86.6Confident61 Ų6193.8 Ų93.832%0.31946%0.464SS..Hα-helixtrans-71.2-39.4169.1-101.9160.4000111.5R919 L920 D921 R926 W927R919-L923 WeakPolarHBondContact O-CB 3.17Å; R919-L923 WeakPolarHBondContact O-CG 3.33Å; R919-L923 PolarHBondContact O-N 2.95Å; L920-L923 CarbonylContact O-C 3.52Å; L920-L923 WeakPolarHBondContact O-CA 3.28Å; L920-L923 WeakPolarHBondContact O-CB 3.48Å; L920-L923 PolarHBondContact O-N 3.38Å; L920-L923 VanDerWaalsContact O-N 3.09Å; D921-L923 PolarHBondContact O-N 3.09Å; L923-R926 CarbonylContact O-C 3.57Å; L923-R926 PolarHBondContact O-N 2.64Å; L923-W927 WeakPolarHBondContact O-CB 3.45Å; L923-W927 PolarHBondContact O-N 3.34Å
924Q85.2Confident86.6Confident105 Ų10595.1 Ų95.149%0.49147%0.473SS..Hα-helixtrans-76-37.9-176.5-156.8166.4-9.700110.8L920 D921 W927 K928L920-Q924 VanDerWaalsContact O-CB 3.27Å; L920-Q924 WeakPolarHBondContact O-CB 3.13Å; L920-Q924 PolarHBondContact O-N 3.4Å; D921-Q924 CarbonylContact O-C 3.51Å; D921-Q924 WeakPolarHBondContact O-CA 3.44Å; D921-Q924 PolarHBondContact O-N 2.83Å; Q924-W927 CarbonylContact O-C 3.38Å; Q924-W927 WeakPolarHBondContact O-CB 3.45Å; Q924-W927 PolarHBondContact O-N 3.33Å; Q924-K928 WeakPolarHBondContact O-CB 3.16Å; Q924-K928 VanDerWaalsContact O-CG 3.28Å; Q924-K928 WeakPolarHBondContact O-CG 3.46Å; Q924-K928 PolarHBondContact O-N 3.42Å
925A89.3Confident86.5Confident34 Ų3495 Ų9528%0.28147%0.472SS..Hα-helixtrans-63.2-47.2163.200000111.1D921 W927 K928 I929D921-A925 VanDerWaalsContact O-CB 3.25Å; D921-A925 WeakPolarHBondContact O-CB 3.38Å; D921-A925 PolarHBondContact O-N 2.66Å; A925-W927 PolarHBondContact O-N 2.99Å; A925-K928 PolarHBondContact O-N 3.11Å; A925-I929 VanDerWaalsContact O-CB 3.3Å; A925-I929 WeakPolarHBondContact O-CB 3.23Å; A925-I929 VanDerWaalsContact O-CG1 3.22Å; A925-I929 WeakPolarHBondContact O-CG1 3.24Å; A925-I929 PolarHBondContact O-N 2.67Å
926R89.4Confident86.5Confident172 Ų17296 Ų9665%0.64948%0.479SS*.Hα-helixtrans-62.4-24.7171.2-76.8166.6-177.7-171.1-1.1112.9A922 L923 R930A922-R926 WeakPolarHBondContact O-CB 3.45Å; A922-R926 WeakPolarHBondContact O-CD 3.35Å; A922-R926 WeakPolarHBondContact O-CG 3.48Å; A922-R926 PolarHBondContact O-N 3.46Å; L923-R926 CarbonylContact O-C 3.57Å; L923-R926 PolarHBondContact O-N 2.64Å; R926-R930 WeakPolarHBondContact O-CB 3.44Å; R926-R930 PolarHBondContact O-N 3.43Å
927W78.5Confident86.3Confident117 Ų11799.3 Ų99.344%0.44349%0.492SS..Hα-helixtrans-82.7-38173-70.6-0.8000112.2L923 Q924 A925 R930 A931 I1350L923-W927 WeakPolarHBondContact O-CB 3.45Å; L923-W927 PolarHBondContact O-N 3.34Å; Q924-W927 CarbonylContact O-C 3.38Å; Q924-W927 WeakPolarHBondContact O-CB 3.45Å; Q924-W927 PolarHBondContact O-N 3.33Å; A925-W927 PolarHBondContact O-N 2.99Å; W927-R930 CarbonylContact O-C 3.43Å; W927-R930 PolarHBondContact O-N 2.77Å; W927-A931 WeakPolarHBondContact O-CA 3.41Å; W927-A931 WeakPolarHBondContact O-CB 3.4Å; W927-A931 PolarHBondContact O-N 3.32Å; W927-I1350 HydrophobicContact CH2-CD1 3.38Å; W927-I1350 HydrophobicContact CZ2-CD1 3.55Å; W927-I1350 HydrophobicContact CZ2-CG1 4.33Å
928K87.8Confident86.3Confident129 Ų12997.2 Ų97.256%0.56149%0.488SS*.Hα-helixtrans-59.4-52.1169.7-74.9169178.4179.20109.2Q924 A925 R930 A931 Q932Q924-K928 WeakPolarHBondContact O-CB 3.16Å; Q924-K928 VanDerWaalsContact O-CG 3.28Å; Q924-K928 WeakPolarHBondContact O-CG 3.46Å; Q924-K928 PolarHBondContact O-N 3.42Å; A925-K928 PolarHBondContact O-N 3.11Å; K928-R930 PolarHBondContact O-N 3.17Å; K928-A931 CarbonylContact O-C 3.48Å; K928-A931 PolarHBondContact O-N 2.72Å; K928-A931 VanDerWaalsContact O-N 3.16Å; K928-Q932 WeakPolarHBondContact O-CB 3.48Å; K928-Q932 VanDerWaalsContact O-CG 3.28Å; K928-Q932 WeakPolarHBondContact O-CG 3.41Å; K928-Q932 PolarHBondContact O-N 2.95Å; K928-Q932 PolarHBondContact O-OE1 3.34Å
929I88.5Confident86.2Confident82 Ų82102.4 Ų102.442%0.42150%0.499SS..Hα-helixtrans-59-45.7173.1-66.1164.3000111A925 A931 Q932 Q933A925-I929 VanDerWaalsContact O-CB 3.3Å; A925-I929 WeakPolarHBondContact O-CB 3.23Å; A925-I929 VanDerWaalsContact O-CG1 3.22Å; A925-I929 WeakPolarHBondContact O-CG1 3.24Å; A925-I929 PolarHBondContact O-N 2.67Å; I929-A931 VanDerWaalsContact C-N 3.33Å; I929-A931 PolarHBondContact O-N 3Å; I929-Q932 PolarHBondContact O-N 3.38Å; I929-Q933 HydrophobicContact CG2-CG 4.33Å; I929-Q933 VanDerWaalsContact O-CB 3.28Å; I929-Q933 WeakPolarHBondContact O-CB 3.43Å; I929-Q933 WeakPolarHBondContact O-CG 3.1Å; I929-Q933 PolarHBondContact O-N 3.37Å
930R87.3Confident86.2Confident161 Ų161100.5 Ų100.561%0.60850%0.501SS*.Hα-helixtrans-67.4-32.3177-176.9179.2-64.6171.2-0.2112.5R926 W927 K928 L934R926-R930 WeakPolarHBondContact O-CB 3.44Å; R926-R930 PolarHBondContact O-N 3.43Å; W927-R930 CarbonylContact O-C 3.43Å; W927-R930 PolarHBondContact O-N 2.77Å; K928-R930 PolarHBondContact O-N 3.17Å; R930-L934 WeakPolarHBondContact O-CB 3.43Å; R930-L934 PolarHBondContact O-N 3.45Å
931A84.2Confident86.3Confident56 Ų56102.4 Ų102.446%0.46351%0.511SS..Hα-helixtrans-73.3-40.4175.900000110.5W927 K928 I929 L934 A935W927-A931 WeakPolarHBondContact O-CA 3.41Å; W927-A931 WeakPolarHBondContact O-CB 3.4Å; W927-A931 PolarHBondContact O-N 3.32Å; K928-A931 CarbonylContact O-C 3.48Å; K928-A931 PolarHBondContact O-N 2.72Å; K928-A931 VanDerWaalsContact O-N 3.16Å; I929-A931 VanDerWaalsContact C-N 3.33Å; I929-A931 PolarHBondContact O-N 3Å; A931-L934 PolarHBondContact O-N 3.42Å; A931-A935 WeakPolarHBondContact O-CB 3.4Å; A931-A935 PolarHBondContact O-N 2.67Å
932Q90.5Very high86Confident129 Ų129100.5 Ų100.560%0.60350%0.498SS*.Hα-helixtrans-62.5-44.2170-72.6164.8-30.700111.2K928 I929 A935 S936K928-Q932 WeakPolarHBondContact O-CB 3.48Å; K928-Q932 VanDerWaalsContact O-CG 3.28Å; K928-Q932 WeakPolarHBondContact O-CG 3.41Å; K928-Q932 PolarHBondContact O-N 2.95Å; K928-Q932 PolarHBondContact O-OE1 3.34Å; I929-Q932 PolarHBondContact O-N 3.38Å; Q932-A935 PolarHBondContact O-N 2.7Å; Q932-S936 VanDerWaalsContact O-CB 3.27Å; Q932-S936 WeakPolarHBondContact O-CB 3.25Å; Q932-S936 PolarHBondContact O-N 2.88Å; Q932-S936 PolarHBondContact O-OG 3.05Å
933Q91.6Very high86Confident120 Ų120103.7 Ų103.756%0.56151%0.506SS*.Hα-helixtrans-65.6-36.3173.3-75.2174.4-600112.4I929 S936 R937I929-Q933 HydrophobicContact CG2-CG 4.33Å; I929-Q933 VanDerWaalsContact O-CB 3.28Å; I929-Q933 WeakPolarHBondContact O-CB 3.43Å; I929-Q933 WeakPolarHBondContact O-CG 3.1Å; I929-Q933 PolarHBondContact O-N 3.37Å; Q933-S936 WeakPolarHBondContact CA-OG 3.23Å; Q933-S936 PolarHBondContact O-OG 3.22Å; Q933-R937 WeakPolarHBondContact O-CB 3.39Å; Q933-R937 PolarHBondContact O-N 2.96Å
934L75.5Confident86.3Confident116 Ų116103.7 Ų103.761%0.60751%0.512SS*.Hα-helixtrans-75.6-34.2177.2-171.666.5000111.1R930 A931 A938R930-L934 WeakPolarHBondContact O-CB 3.43Å; R930-L934 PolarHBondContact O-N 3.45Å; A931-L934 PolarHBondContact O-N 3.42Å; L934-A938 WeakPolarHBondContact O-CA 3.29Å; L934-A938 WeakPolarHBondContact O-CB 3.48Å; L934-A938 PolarHBondContact O-N 3.15Å
935A86Confident86.3Confident53 Ų53106 Ų10644%0.43852%0.516SS..Hα-helixtrans-75.2-40175.900000111.8A931 Q932 A938 K939A931-A935 WeakPolarHBondContact O-CB 3.4Å; A931-A935 PolarHBondContact O-N 2.67Å; Q932-A935 PolarHBondContact O-N 2.7Å; A935-A938 CarbonylContact O-C 3.55Å; A935-A938 PolarHBondContact O-N 3Å; A935-K939 WeakPolarHBondContact O-CB 3.38Å; A935-K939 WeakPolarHBondContact O-CG 3.27Å; A935-K939 PolarHBondContact O-N 2.69Å
936S89Confident85.9Confident67 Ų67111.2 Ų111.247%0.46953%0.528SS..Hα-helixtrans-69.5-42.9171.866.50000110.7Q932 Q933 A938 K939 L940Q932-S936 VanDerWaalsContact O-CB 3.27Å; Q932-S936 WeakPolarHBondContact O-CB 3.25Å; Q932-S936 PolarHBondContact O-N 2.88Å; Q932-S936 PolarHBondContact O-OG 3.05Å; Q933-S936 WeakPolarHBondContact CA-OG 3.23Å; Q933-S936 PolarHBondContact O-OG 3.22Å; S936-A938 VanDerWaalsContact C-N 3.26Å; S936-A938 PolarHBondContact O-N 2.88Å; S936-K939 PolarHBondContact O-N 3.26Å; S936-L940 VanDerWaalsContact O-CB 3.23Å; S936-L940 WeakPolarHBondContact O-CB 3.46Å; S936-L940 PolarHBondContact O-N 2.97Å
937R88.3Confident85.7Confident170 Ų170104.9 Ų104.964%0.64251%0.513SS*.Hα-helixtrans-62.4-31.4169.3-172.8177.9-178.7114.10.9112.1Q933 L941Q933-R937 WeakPolarHBondContact O-CB 3.39Å; Q933-R937 PolarHBondContact O-N 2.96Å; R937-L941 HydrophobicContact CG-CD1 4Å; R937-L941 HydrophobicContact CG-CG 4.3Å; R937-L941 WeakPolarHBondContact O-CB 3.31Å; R937-L941 WeakPolarHBondContact O-CG 3.26Å; R937-L941 PolarHBondContact O-N 2.95Å
938A84Confident86.1Confident51 Ų51101.4 Ų101.442%0.42151%0.509SS..Hα-helixtrans-73.5-42.2173.300000111.9L934 A935 S936 L940 L941 E942L934-A938 WeakPolarHBondContact O-CA 3.29Å; L934-A938 WeakPolarHBondContact O-CB 3.48Å; L934-A938 PolarHBondContact O-N 3.15Å; A935-A938 CarbonylContact O-C 3.55Å; A935-A938 PolarHBondContact O-N 3Å; S936-A938 VanDerWaalsContact C-N 3.26Å; S936-A938 PolarHBondContact O-N 2.88Å; A938-L940 VanDerWaalsContact C-N 3.3Å; A938-L940 PolarHBondContact O-N 2.81Å; A938-L941 PolarHBondContact O-N 3.31Å; A938-E942 WeakPolarHBondContact O-CB 3.37Å; A938-E942 PolarHBondContact O-N 2.72Å
939K86.6Confident86Confident170 Ų17097.7 Ų97.774%0.73950%0.502SS*.Hα-helixtrans-58.5-41.9169.9-77.9-173.7176.1-172.60110.7A935 S936 E942 H943A935-K939 WeakPolarHBondContact O-CB 3.38Å; A935-K939 WeakPolarHBondContact O-CG 3.27Å; A935-K939 PolarHBondContact O-N 2.69Å; S936-K939 PolarHBondContact O-N 3.26Å; K939-E942 PolarHBondContact O-N 3.45Å; K939-H943 VanDerWaalsContact O-CB 3.31Å; K939-H943 WeakPolarHBondContact O-CB 3.34Å; K939-H943 PolarHBondContact O-N 3.29Å
940L88.5Confident85.9Confident124 Ų124100.9 Ų100.965%0.64951%0.509SS*.Hα-helixtrans-74.9-38.2-179.5-159.1159.1000112S936 A938 H943 S944S936-L940 VanDerWaalsContact O-CB 3.23Å; S936-L940 WeakPolarHBondContact O-CB 3.46Å; S936-L940 PolarHBondContact O-N 2.97Å; A938-L940 VanDerWaalsContact C-N 3.3Å; A938-L940 PolarHBondContact O-N 2.81Å; L940-H943 PolarHBondContact O-N 2.86Å; L940-S944 WeakPolarHBondContact O-CB 3.27Å; L940-S944 PolarHBondContact O-N 3.15Å
941L84.1Confident86Confident100 Ų10095.6 Ų95.652%0.52450%0.5SS..Hα-helixtrans-69.2-33.4170.3-77.4171.2000112.3R937 A938 R945R937-L941 HydrophobicContact CG-CD1 4Å; R937-L941 HydrophobicContact CG-CG 4.3Å; R937-L941 WeakPolarHBondContact O-CB 3.31Å; R937-L941 WeakPolarHBondContact O-CG 3.26Å; R937-L941 PolarHBondContact O-N 2.95Å; A938-L941 PolarHBondContact O-N 3.31Å; L941-R945 WeakPolarHBondContact O-CB 3.26Å; L941-R945 PolarHBondContact O-N 2.61Å
942E77.8Confident86.3Confident53 Ų53100.2 Ų100.225%0.24851%0.509CS..Hα-helixtrans-72.2-40.4173.4173.958.8-169.700110.7A938 K939 R945 R946A938-E942 WeakPolarHBondContact O-CB 3.37Å; A938-E942 PolarHBondContact O-N 2.72Å; K939-E942 PolarHBondContact O-N 3.45Å; E942-R945 CarbonylContact O-C 3.49Å; E942-R945 PolarHBondContact O-N 3.36Å; E942-R945 IonicContact OE1-CZ 3.3Å; E942-R945 IonicContact OE1-NH2 2.72Å; E942-R945 PolarHBondContact OE1-NH2 2.81Å; E942-R945 IonicContact OE2-CZ 2.65Å; E942-R945 IonicContact OE2-NE 3.25Å; E942-R945 PolarHBondContact OE2-NE 3.13Å; E942-R945 IonicContact OE2-NH2 3.02Å; E942-R945 PolarHBondContact OE2-NH2 3.07Å; E942-R946 WeakPolarHBondContact O-CB 3.49Å; E942-R946 VanDerWaalsContact O-CG 3.25Å; E942-R946 WeakPolarHBondContact O-CG 3.37Å; E942-R946 PolarHBondContact O-N 3.16Å; E942-R946 IonicContact OE1-CZ 2.78Å; E942-R946 IonicContact OE1-NE 3.61Å; E942-R946 PolarHBondContact OE1-NE 2.94Å; E942-R946 IonicContact OE1-NH2 3.2Å; E942-R946 PolarHBondContact OE1-NH2 2.87Å; E942-R946 VanDerWaalsContact OE1-NH2 3.08Å
943H89.6Confident86.1Confident107 Ų107100.1 Ų100.150%0.49551%0.507SS..Hα-helixtrans-63.4-44.1171-174-111.9000111K939 L940 R945 R946 A947K939-H943 VanDerWaalsContact O-CB 3.31Å; K939-H943 WeakPolarHBondContact O-CB 3.34Å; K939-H943 PolarHBondContact O-N 3.29Å; L940-H943 PolarHBondContact O-N 2.86Å; H943-R945 VanDerWaalsContact C-N 3.33Å; H943-R945 PolarHBondContact O-N 3.05Å; H943-R946 CarbonylContact O-C 3.33Å; H943-R946 PolarHBondContact O-N 3.45Å; H943-A947 VanDerWaalsContact O-CB 3.27Å; H943-A947 WeakPolarHBondContact O-CB 3.28Å; H943-A947 PolarHBondContact O-N 3.28Å
944S90.1Very high86Confident62 Ų62100 Ų10043%0.43451%0.507SS..Hα-helixtrans-62-38172.4-176.90000111.8L940 A947 A948L940-S944 WeakPolarHBondContact O-CB 3.27Å; L940-S944 PolarHBondContact O-N 3.15Å; S944-A947 PolarHBondContact O-N 3.21Å; S944-A948 WeakPolarHBondContact O-CB 2.96Å; S944-A948 PolarHBondContact O-N 2.86Å
945R85.8Confident86.7Confident153 Ų15397 Ų9758%0.57750%0.495SS*.Hα-helixtrans-68.8-38.9174.5-169.1-173.570.787.55.3111.5L941 E942 H943 A949L941-R945 WeakPolarHBondContact O-CB 3.26Å; L941-R945 PolarHBondContact O-N 2.61Å; E942-R945 CarbonylContact O-C 3.49Å; E942-R945 PolarHBondContact O-N 3.36Å; E942-R945 IonicContact OE1-CZ 3.3Å; E942-R945 IonicContact OE1-NH2 2.72Å; E942-R945 PolarHBondContact OE1-NH2 2.81Å; E942-R945 IonicContact OE2-CZ 2.65Å; E942-R945 IonicContact OE2-NE 3.25Å; E942-R945 PolarHBondContact OE2-NE 3.13Å; E942-R945 IonicContact OE2-NH2 3.02Å; E942-R945 PolarHBondContact OE2-NH2 3.07Å; H943-R945 VanDerWaalsContact C-N 3.33Å; H943-R945 PolarHBondContact O-N 3.05Å; R945-A949 WeakPolarHBondContact O-CB 3.39Å; R945-A949 PolarHBondContact O-N 2.82Å
946R80.2Confident86.9Confident143 Ų143103.8 Ų103.854%0.5451%0.51SS..Hα-helixtrans-67.7-40.9173-72.5173.1-169.3-167.74.7111.3E942 H943 A949 R950E942-R946 WeakPolarHBondContact O-CB 3.49Å; E942-R946 VanDerWaalsContact O-CG 3.25Å; E942-R946 WeakPolarHBondContact O-CG 3.37Å; E942-R946 PolarHBondContact O-N 3.16Å; E942-R946 IonicContact OE1-CZ 2.78Å; E942-R946 IonicContact OE1-NE 3.61Å; E942-R946 PolarHBondContact OE1-NE 2.94Å; E942-R946 IonicContact OE1-NH2 3.2Å; E942-R946 PolarHBondContact OE1-NH2 2.87Å; E942-R946 VanDerWaalsContact OE1-NH2 3.08Å; H943-R946 CarbonylContact O-C 3.33Å; H943-R946 PolarHBondContact O-N 3.45Å; R946-A949 PolarHBondContact O-N 2.77Å; R946-R950 WeakPolarHBondContact O-CB 3.33Å; R946-R950 WeakPolarHBondContact O-CG 3.45Å; R946-R950 PolarHBondContact O-N 3.04Å
947A85.2Confident86.8Confident40 Ų40104.9 Ų104.933%0.33151%0.507SS..Hα-helixtrans-66.7-45.7174.700000111.2H943 S944 A949 R950 A951H943-A947 VanDerWaalsContact O-CB 3.27Å; H943-A947 WeakPolarHBondContact O-CB 3.28Å; H943-A947 PolarHBondContact O-N 3.28Å; S944-A947 PolarHBondContact O-N 3.21Å; A947-A949 VanDerWaalsContact C-N 3.31Å; A947-A949 PolarHBondContact O-N 2.96Å; A947-R950 CarbonylContact O-C 3.49Å; A947-R950 PolarHBondContact O-N 2.92Å; A947-A951 WeakPolarHBondContact O-CB 3.49Å; A947-A951 PolarHBondContact O-N 2.73Å
948A86.9Confident86.9Confident43 Ų43102 Ų10236%0.35550%0.504SS..Hα-helixtrans-68.6-27.7174.300000112.7S944 K952S944-A948 WeakPolarHBondContact O-CB 2.96Å; S944-A948 PolarHBondContact O-N 2.86Å; A948-K952 WeakPolarHBondContact O-CB 3.41Å; A948-K952 WeakPolarHBondContact O-CG 2.98Å; A948-K952 PolarHBondContact O-N 2.81Å
949A86Confident87.3Confident52 Ų52106 Ų10643%0.4351%0.511SS..Hα-helixtrans-72.8-41.5169.800000111.4R945 R946 A947 K952 K953R945-A949 WeakPolarHBondContact O-CB 3.39Å; R945-A949 PolarHBondContact O-N 2.82Å; R946-A949 PolarHBondContact O-N 2.77Å; A947-A949 VanDerWaalsContact C-N 3.31Å; A947-A949 PolarHBondContact O-N 2.96Å; A949-K952 CarbonylContact O-C 3.54Å; A949-K952 PolarHBondContact O-N 2.9Å; A949-K953 VanDerWaalsContact O-CB 3.27Å; A949-K953 WeakPolarHBondContact O-CB 3.33Å; A949-K953 PolarHBondContact O-N 2.82Å
950R86.8Confident86.7Confident148 Ų148102.7 Ų102.756%0.55850%0.5SS*.Hα-helixtrans-62.1-45.8171.5-77.1-172.6-80.5-159.83.6111.2R946 A947 K952 K953 Q954R946-R950 WeakPolarHBondContact O-CB 3.33Å; R946-R950 WeakPolarHBondContact O-CG 3.45Å; R946-R950 PolarHBondContact O-N 3.04Å; A947-R950 CarbonylContact O-C 3.49Å; A947-R950 PolarHBondContact O-N 2.92Å; R950-K952 PolarHBondContact O-N 3.38Å; R950-K953 CarbonylContact O-C 3.55Å; R950-K953 WeakPolarHBondContact O-CA 3.44Å; R950-K953 WeakPolarHBondContact O-CB 3.32Å; R950-K953 PolarHBondContact O-N 2.78Å; R950-K953 VanDerWaalsContact O-N 3.15Å; R950-Q954 WeakPolarHBondContact O-CB 3.28Å; R950-Q954 WeakPolarHBondContact O-CG 3.21Å; R950-Q954 PolarHBondContact O-N 2.82Å
951A89.8Confident86.7Confident50 Ų5099 Ų9941%0.41349%0.487SS..Hα-helixtrans-67.6-32.1174.900000113.1A947 S955A947-A951 WeakPolarHBondContact O-CB 3.49Å; A947-A951 PolarHBondContact O-N 2.73Å; A951-S955 WeakPolarHBondContact O-CB 3.41Å; A951-S955 PolarHBondContact O-N 2.71Å
952K88.9Confident86.9Confident153 Ų15397.4 Ų97.467%0.66548%0.481SS*.Hα-helixtrans-75.1-28.5170.1-78.7173.9-180177.90112.9A948 A949 R950 R956A948-K952 WeakPolarHBondContact O-CB 3.41Å; A948-K952 WeakPolarHBondContact O-CG 2.98Å; A948-K952 PolarHBondContact O-N 2.81Å; A949-K952 CarbonylContact O-C 3.54Å; A949-K952 PolarHBondContact O-N 2.9Å; R950-K952 PolarHBondContact O-N 3.38Å; K952-R956 VanDerWaalsContact O-CB 3.31Å; K952-R956 WeakPolarHBondContact O-CB 3.42Å; K952-R956 WeakPolarHBondContact O-CG 3.3Å; K952-R956 PolarHBondContact O-N 3.09Å
953K86.8Confident87.3Confident128 Ų12899 Ų9956%0.55749%0.491SS*.Hα-helixtrans-68.4-54.2170.2-174-174.2155176.10108.9A949 R950 S955 R956 E957A949-K953 VanDerWaalsContact O-CB 3.27Å; A949-K953 WeakPolarHBondContact O-CB 3.33Å; A949-K953 PolarHBondContact O-N 2.82Å; R950-K953 CarbonylContact O-C 3.55Å; R950-K953 WeakPolarHBondContact O-CA 3.44Å; R950-K953 WeakPolarHBondContact O-CB 3.32Å; R950-K953 PolarHBondContact O-N 2.78Å; R950-K953 VanDerWaalsContact O-N 3.15Å; K953-S955 PolarHBondContact O-N 2.61Å; K953-R956 CarbonylContact O-C 3.59Å; K953-R956 WeakPolarHBondContact O-CA 2.95Å; K953-R956 VanDerWaalsContact O-CB 3.28Å; K953-R956 WeakPolarHBondContact O-CB 3.33Å; K953-R956 PolarHBondContact O-N 3.28Å; K953-E957 VanDerWaalsContact C-OE2 3.31Å; K953-E957 WeakPolarHBondContact CE-OE1 3.29Å; K953-E957 HydrophobicContact CG-CG 4.46Å; K953-E957 IonicContact NZ-OE1 3.65Å; K953-E957 WeakPolarHBondContact O-CG 3.41Å; K953-E957 PolarHBondContact O-N 3.38Å
954Q89.4Confident86.9Confident117 Ų11797.8 Ų97.855%0.54749%0.486SS..Hα-helixtrans-57-42.9172.5-73.9174.3-3600112.9R950 R956 E957 I958R950-Q954 WeakPolarHBondContact O-CB 3.28Å; R950-Q954 WeakPolarHBondContact O-CG 3.21Å; R950-Q954 PolarHBondContact O-N 2.82Å; Q954-R956 VanDerWaalsContact C-N 3.28Å; Q954-R956 PolarHBondContact O-N 2.76Å; Q954-E957 WeakPolarHBondContact CA-OE2 3.37Å; Q954-E957 PolarHBondContact N-OE2 2.69Å; Q954-E957 PolarHBondContact O-N 2.67Å; Q954-I958 VanDerWaalsContact O-CB 3.31Å; Q954-I958 WeakPolarHBondContact O-CB 3.46Å; Q954-I958 VanDerWaalsContact O-CG1 3.23Å; Q954-I958 WeakPolarHBondContact O-CG1 3.48Å; Q954-I958 PolarHBondContact O-N 3.26Å
955S91.8Very high86.9Confident53 Ų5399 Ų9937%0.37149%0.485SS..Hα-helixtrans-68.8-27.1175.8-172.70000112.4A951 K953 K959A951-S955 WeakPolarHBondContact O-CB 3.41Å; A951-S955 PolarHBondContact O-N 2.71Å; K953-S955 PolarHBondContact O-N 2.61Å; S955-K959 VanDerWaalsContact O-CB 3.26Å; S955-K959 WeakPolarHBondContact O-CB 3.49Å; S955-K959 WeakPolarHBondContact O-CD 3.35Å; S955-K959 WeakPolarHBondContact O-CG 3.48Å; S955-K959 PolarHBondContact O-N 3.31Å; S955-K959 VanDerWaalsContact O-N 3.16Å
956R89.1Confident87Confident196 Ų19696.8 Ų96.874%0.7448%0.481SS*.Hα-helixtrans-72.7-42.8166.8-88.9179.1156.4-167-6.6111.5K952 K953 Q954 K959 M960K952-R956 VanDerWaalsContact O-CB 3.31Å; K952-R956 WeakPolarHBondContact O-CB 3.42Å; K952-R956 WeakPolarHBondContact O-CG 3.3Å; K952-R956 PolarHBondContact O-N 3.09Å; K953-R956 CarbonylContact O-C 3.59Å; K953-R956 WeakPolarHBondContact O-CA 2.95Å; K953-R956 VanDerWaalsContact O-CB 3.28Å; K953-R956 WeakPolarHBondContact O-CB 3.33Å; K953-R956 PolarHBondContact O-N 3.28Å; Q954-R956 VanDerWaalsContact C-N 3.28Å; Q954-R956 PolarHBondContact O-N 2.76Å; R956-K959 CarbonylContact O-C 3.27Å; R956-K959 PolarHBondContact O-N 3.45Å; R956-M960 WeakPolarHBondContact O-CB 3.11Å; R956-M960 VanDerWaalsContact O-CG 3.28Å; R956-M960 WeakPolarHBondContact O-CG 3.46Å; R956-M960 PolarHBondContact O-N 2.63Å
957E87.7Confident87.4Confident90 Ų9095.8 Ų95.842%0.42148%0.482SS..Hα-helixtrans-67.1-43.1-179.8-72.2163.1149.100111K953 Q954 K959 M960 A961K953-E957 VanDerWaalsContact C-OE2 3.31Å; K953-E957 WeakPolarHBondContact CE-OE1 3.29Å; K953-E957 HydrophobicContact CG-CG 4.46Å; K953-E957 IonicContact NZ-OE1 3.65Å; K953-E957 WeakPolarHBondContact O-CG 3.41Å; K953-E957 PolarHBondContact O-N 3.38Å; Q954-E957 WeakPolarHBondContact CA-OE2 3.37Å; Q954-E957 PolarHBondContact N-OE2 2.69Å; Q954-E957 PolarHBondContact O-N 2.67Å; E957-K959 VanDerWaalsContact C-N 3.33Å; E957-K959 PolarHBondContact O-N 3.42Å; E957-M960 PolarHBondContact O-N 3.33Å; E957-A961 WeakPolarHBondContact O-CB 3.31Å; E957-A961 PolarHBondContact O-N 3.29Å
958I90Very high87.3Confident110 Ų11099.5 Ų99.556%0.56449%0.488SS*.Hα-helixtrans-61.8-40.2170.2-67.5163.8000110.4Q954 T962Q954-I958 VanDerWaalsContact O-CB 3.31Å; Q954-I958 WeakPolarHBondContact O-CB 3.46Å; Q954-I958 VanDerWaalsContact O-CG1 3.23Å; Q954-I958 WeakPolarHBondContact O-CG1 3.48Å; Q954-I958 PolarHBondContact O-N 3.26Å; I958-T962 WeakPolarHBondContact O-CB 3.46Å; I958-T962 PolarHBondContact O-N 3.21Å; I958-T962 PolarHBondContact O-OG1 3.24Å
959K91.3Very high87.2Confident133 Ų133100.3 Ų100.358%0.57849%0.488SS*.Hα-helixtrans-70.7-35.3175.3-79.2171.5-178.5170.10113.3S955 R956 E957 L963S955-K959 VanDerWaalsContact O-CB 3.26Å; S955-K959 WeakPolarHBondContact O-CB 3.49Å; S955-K959 WeakPolarHBondContact O-CD 3.35Å; S955-K959 WeakPolarHBondContact O-CG 3.48Å; S955-K959 PolarHBondContact O-N 3.31Å; S955-K959 VanDerWaalsContact O-N 3.16Å; R956-K959 CarbonylContact O-C 3.27Å; R956-K959 PolarHBondContact O-N 3.45Å; E957-K959 VanDerWaalsContact C-N 3.33Å; E957-K959 PolarHBondContact O-N 3.42Å; K959-L963 VanDerWaalsContact O-CB 3.25Å; K959-L963 WeakPolarHBondContact O-CB 3.18Å; K959-L963 VanDerWaalsContact O-CG 3.27Å; K959-L963 WeakPolarHBondContact O-CG 3.25Å; K959-L963 PolarHBondContact O-N 3.28Å
960M74.4Confident87.3Confident102 Ų102103.3 Ų103.350%0.50249%0.493SS..Hα-helixtrans-69-49.9173.7-73.6-55.4-56.200109.5R956 E957 T962 L963 E964R956-M960 WeakPolarHBondContact O-CB 3.11Å; R956-M960 VanDerWaalsContact O-CG 3.28Å; R956-M960 WeakPolarHBondContact O-CG 3.46Å; R956-M960 PolarHBondContact O-N 2.63Å; E957-M960 PolarHBondContact O-N 3.33Å; M960-T962 VanDerWaalsContact C-N 3.29Å; M960-T962 PolarHBondContact O-N 3.43Å; M960-L963 CarbonylContact O-C 3.54Å; M960-L963 PolarHBondContact O-N 2.99Å; M960-L963 VanDerWaalsContact O-N 3.08Å; M960-E964 VanDerWaalsContact O-CB 3.28Å; M960-E964 WeakPolarHBondContact O-CB 3.33Å; M960-E964 VanDerWaalsContact O-CG 3.24Å; M960-E964 WeakPolarHBondContact O-CG 3.32Å; M960-E964 PolarHBondContact O-N 3.49Å
961A88.5Confident87Confident45 Ų45100 Ų10037%0.37249%0.486SS..Hα-helixtrans-59.5-35.5173.400000112.6E957 E965E957-A961 WeakPolarHBondContact O-CB 3.31Å; E957-A961 PolarHBondContact O-N 3.29Å; A961-E965 WeakPolarHBondContact O-CB 3.28Å; A961-E965 PolarHBondContact O-N 3.16Å
962T89.1Confident86.9Confident67 Ų67102.6 Ų102.641%0.41149%0.489SS..Hα-helixtrans-72.6-37.6173.5-57.60000111.6I958 M960 E965 Q966I958-T962 WeakPolarHBondContact O-CB 3.46Å; I958-T962 PolarHBondContact O-N 3.21Å; I958-T962 PolarHBondContact O-OG1 3.24Å; M960-T962 VanDerWaalsContact C-N 3.29Å; M960-T962 PolarHBondContact O-N 3.43Å; T962-E965 PolarHBondContact O-N 3.46Å; T962-Q966 VanDerWaalsContact O-CB 3.29Å; T962-Q966 WeakPolarHBondContact O-CB 3.45Å; T962-Q966 WeakPolarHBondContact O-CG 3.3Å; T962-Q966 PolarHBondContact O-N 2.86Å
963L85.4Confident87Confident88 Ų88101.4 Ų101.446%0.46149%0.486SS..Hα-helixtrans-71.3-34.8173.9-81.1167.7000112K959 M960 Q966 Q967K959-L963 VanDerWaalsContact O-CB 3.25Å; K959-L963 WeakPolarHBondContact O-CB 3.18Å; K959-L963 VanDerWaalsContact O-CG 3.27Å; K959-L963 WeakPolarHBondContact O-CG 3.25Å; K959-L963 PolarHBondContact O-N 3.28Å; M960-L963 CarbonylContact O-C 3.54Å; M960-L963 PolarHBondContact O-N 2.99Å; M960-L963 VanDerWaalsContact O-N 3.08Å; L963-Q966 CarbonylContact O-C 3.58Å; L963-Q967 VanDerWaalsContact O-CB 3.31Å; L963-Q967 WeakPolarHBondContact O-CB 3.28Å; L963-Q967 VanDerWaalsContact O-CG 3.25Å; L963-Q967 WeakPolarHBondContact O-CG 3.26Å; L963-Q967 PolarHBondContact O-N 3.22Å
964E82.5Confident87.1Confident80 Ų8099.2 Ų99.237%0.37448%0.48SS..Hα-helixtrans-70.8-34.6171.6-74.5171.3-151.400110.9M960 Q967 R968M960-E964 VanDerWaalsContact O-CB 3.28Å; M960-E964 WeakPolarHBondContact O-CB 3.33Å; M960-E964 VanDerWaalsContact O-CG 3.24Å; M960-E964 WeakPolarHBondContact O-CG 3.32Å; M960-E964 PolarHBondContact O-N 3.49Å; E964-Q967 CarbonylContact O-C 3.6Å; E964-Q967 PolarHBondContact O-N 3.24Å; E964-R968 VanDerWaalsContact O-CB 3.31Å; E964-R968 WeakPolarHBondContact O-CB 3.5Å; E964-R968 VanDerWaalsContact O-CG 3.27Å; E964-R968 WeakPolarHBondContact O-CG 3.38Å; E964-R968 PolarHBondContact O-N 2.63Å; E964-R968 IonicContact OE2-NH1 2.74Å; E964-R968 PolarHBondContact OE2-NH1 3.02Å
965E88.2Confident87Confident88 Ų88100.9 Ų100.941%0.41148%0.481SS..Hα-helixtrans-74.6-36.5173.8-165.955-136.500110.9A961 T962 Q967 R968 T969A961-E965 WeakPolarHBondContact O-CB 3.28Å; A961-E965 PolarHBondContact O-N 3.16Å; T962-E965 PolarHBondContact O-N 3.46Å; E965-Q967 VanDerWaalsContact C-N 3.3Å; E965-R968 PolarHBondContact O-N 3.01Å; E965-R968 IonicContact OE2-CZ 2.74Å; E965-R968 IonicContact OE2-NE 2.73Å; E965-R968 PolarHBondContact OE2-NE 3.31Å; E965-R968 IonicContact OE2-NH2 2.63Å; E965-R968 PolarHBondContact OE2-NH2 3.42Å; E965-T969 HydrophobicContact CG-CG2 4.47Å; E965-T969 VanDerWaalsContact O-CB 3.32Å; E965-T969 WeakPolarHBondContact O-CB 3.26Å; E965-T969 WeakPolarHBondContact O-CG2 3.42Å; E965-T969 PolarHBondContact O-N 2.9Å; E965-T969 PolarHBondContact O-OG1 3.31Å
966Q90Very high86.9Confident107 Ų107100.7 Ų100.750%0.548%0.48SS..Hα-helixtrans-64.3-35.3167.1-75.3172.24.400111.4T962 L963 T969 H970T962-Q966 VanDerWaalsContact O-CB 3.29Å; T962-Q966 WeakPolarHBondContact O-CB 3.45Å; T962-Q966 WeakPolarHBondContact O-CG 3.3Å; T962-Q966 PolarHBondContact O-N 2.86Å; L963-Q966 CarbonylContact O-C 3.58Å; Q966-T969 WeakPolarHBondContact CA-OG1 3.48Å; Q966-T969 PolarHBondContact O-OG1 3.11Å; Q966-H970 WeakPolarHBondContact O-CA 3.36Å; Q966-H970 WeakPolarHBondContact O-CB 3.39Å; Q966-H970 PolarHBondContact O-N 3.36Å
967Q87.4Confident87Confident122 Ų12297.4 Ų97.457%0.5747%0.471SS*.Hα-helixtrans-71.9-43172.3-80.2178.71.800111.8L963 E964 E965 H970 I971L963-Q967 VanDerWaalsContact O-CB 3.31Å; L963-Q967 WeakPolarHBondContact O-CB 3.28Å; L963-Q967 VanDerWaalsContact O-CG 3.25Å; L963-Q967 WeakPolarHBondContact O-CG 3.26Å; L963-Q967 PolarHBondContact O-N 3.22Å; E964-Q967 CarbonylContact O-C 3.6Å; E964-Q967 PolarHBondContact O-N 3.24Å; E965-Q967 VanDerWaalsContact C-N 3.3Å; Q967-H970 PolarHBondContact O-N 3.48Å; Q967-I971 HydrophobicContact CB-CD1 4.46Å; Q967-I971 WeakPolarHBondContact O-CA 3.45Å; Q967-I971 WeakPolarHBondContact O-CB 3.38Å; Q967-I971 WeakPolarHBondContact O-CD1 3.38Å; Q967-I971 WeakPolarHBondContact O-CG1 3.33Å; Q967-I971 PolarHBondContact O-N 3.33Å
968R82.8Confident86.7Confident118 Ų11896.9 Ų96.945%0.44547%0.47SS..Hα-helixtrans-62.2-53.9176.2-78.3-176.6-66.5-96.6-0.5109.7E964 E965 H970 I971 E972E964-R968 VanDerWaalsContact O-CB 3.31Å; E964-R968 WeakPolarHBondContact O-CB 3.5Å; E964-R968 VanDerWaalsContact O-CG 3.27Å; E964-R968 WeakPolarHBondContact O-CG 3.38Å; E964-R968 PolarHBondContact O-N 2.63Å; E964-R968 IonicContact OE2-NH1 2.74Å; E964-R968 PolarHBondContact OE2-NH1 3.02Å; E965-R968 PolarHBondContact O-N 3.01Å; E965-R968 IonicContact OE2-CZ 2.74Å; E965-R968 IonicContact OE2-NE 2.73Å; E965-R968 PolarHBondContact OE2-NE 3.31Å; E965-R968 IonicContact OE2-NH2 2.63Å; E965-R968 PolarHBondContact OE2-NH2 3.42Å; R968-H970 PolarHBondContact O-N 2.96Å; R968-I971 CarbonylContact O-C 3.57Å; R968-I971 PolarHBondContact O-N 3.11Å; R968-E972 WeakPolarHBondContact O-CB 3.48Å; R968-E972 PolarHBondContact O-N 2.89Å
969T84.6Confident86.6Confident60 Ų6096.7 Ų96.737%0.36847%0.467SS..Hα-helixtrans-64.1-35.7175.756.40000113.3E965 Q966 E972 Q973E965-T969 HydrophobicContact CG-CG2 4.47Å; E965-T969 VanDerWaalsContact O-CB 3.32Å; E965-T969 WeakPolarHBondContact O-CB 3.26Å; E965-T969 WeakPolarHBondContact O-CG2 3.42Å; E965-T969 PolarHBondContact O-N 2.9Å; E965-T969 PolarHBondContact O-OG1 3.31Å; Q966-T969 WeakPolarHBondContact CA-OG1 3.48Å; Q966-T969 PolarHBondContact O-OG1 3.11Å; T969-E972 PolarHBondContact O-N 3.08Å; T969-Q973 VanDerWaalsContact O-CB 3.24Å; T969-Q973 WeakPolarHBondContact O-CB 3.38Å; T969-Q973 WeakPolarHBondContact O-CG 3.28Å; T969-Q973 PolarHBondContact O-N 3.23Å
970H89Confident86.5Confident114 Ų11496.6 Ų96.653%0.52846%0.463SS..Hα-helixtrans-70.5-39173-179.4-96.5000111.9Q966 Q967 R968 E972 L974Q966-H970 WeakPolarHBondContact O-CA 3.36Å; Q966-H970 WeakPolarHBondContact O-CB 3.39Å; Q966-H970 PolarHBondContact O-N 3.36Å; Q967-H970 PolarHBondContact O-N 3.48Å; R968-H970 PolarHBondContact O-N 2.96Å; H970-E972 VanDerWaalsContact C-N 3.32Å; H970-L974 WeakPolarHBondContact O-CA 3.49Å; H970-L974 WeakPolarHBondContact O-CB 3.48Å; H970-L974 PolarHBondContact O-N 3.29Å
971I81.4Confident87.3Confident78 Ų7898.9 Ų98.940%0.447%0.47SS..Hα-helixtrans-66.1-36.9173.5-73.3163.7000110Q967 R968 L974 R975Q967-I971 HydrophobicContact CB-CD1 4.46Å; Q967-I971 WeakPolarHBondContact O-CA 3.45Å; Q967-I971 WeakPolarHBondContact O-CB 3.38Å; Q967-I971 WeakPolarHBondContact O-CD1 3.38Å; Q967-I971 WeakPolarHBondContact O-CG1 3.33Å; Q967-I971 PolarHBondContact O-N 3.33Å; R968-I971 CarbonylContact O-C 3.57Å; R968-I971 PolarHBondContact O-N 3.11Å; I971-L974 CarbonylContact O-C 3.57Å; I971-L974 PolarHBondContact O-N 2.7Å; I971-R975 HydrophobicContact CG2-CG 4.31Å; I971-R975 VanDerWaalsContact O-CB 3.24Å; I971-R975 WeakPolarHBondContact O-CB 3.49Å; I971-R975 WeakPolarHBondContact O-CG 3.44Å; I971-R975 PolarHBondContact O-N 2.9Å
972E87.6Confident87.2Confident105 Ų105101.9 Ų101.949%0.49148%0.476SS..Hα-helixtrans-76-41.1179.8-160.254.7-136.300111.4R968 T969 H970 L974 R975 S976R968-E972 WeakPolarHBondContact O-CB 3.48Å; R968-E972 PolarHBondContact O-N 2.89Å; T969-E972 PolarHBondContact O-N 3.08Å; H970-E972 VanDerWaalsContact C-N 3.32Å; E972-L974 VanDerWaalsContact C-N 3.32Å; E972-L974 PolarHBondContact O-N 3.19Å; E972-R975 PolarHBondContact O-N 2.65Å; E972-R975 IonicContact OE2-NH1 2.98Å; E972-S976 VanDerWaalsContact O-CB 3.23Å; E972-S976 WeakPolarHBondContact O-CB 3.46Å; E972-S976 PolarHBondContact O-N 2.95Å
973Q89.6Confident87.1Confident129 Ų129101.9 Ų101.960%0.60347%0.472SS*.Hα-helixtrans-62-40.6167.2-74.9177.523.400111.3T969 K977T969-Q973 VanDerWaalsContact O-CB 3.24Å; T969-Q973 WeakPolarHBondContact O-CB 3.38Å; T969-Q973 WeakPolarHBondContact O-CG 3.28Å; T969-Q973 PolarHBondContact O-N 3.23Å; Q973-K977 WeakPolarHBondContact O-CB 3.32Å; Q973-K977 PolarHBondContact O-N 3.46Å
974L89.1Confident87.1Confident81 Ų81101 Ų10142%0.42447%0.465SS..Hα-helixtrans-70-37.9177.9-169.371.4000110.8H970 I971 E972 K977 I978H970-L974 WeakPolarHBondContact O-CA 3.49Å; H970-L974 WeakPolarHBondContact O-CB 3.48Å; H970-L974 PolarHBondContact O-N 3.29Å; I971-L974 CarbonylContact O-C 3.57Å; I971-L974 PolarHBondContact O-N 2.7Å; E972-L974 VanDerWaalsContact C-N 3.32Å; E972-L974 PolarHBondContact O-N 3.19Å; L974-K977 CarbonylContact O-C 3.02Å; L974-K977 PolarHBondContact O-N 2.67Å; L974-I978 HydrophobicContact CD2-CD1 4.26Å; L974-I978 HydrophobicContact CG-CD1 3.81Å; L974-I978 HydrophobicContact CG-CG1 4.32Å; L974-I978 WeakPolarHBondContact O-CA 3.01Å; L974-I978 WeakPolarHBondContact O-CB 2.94Å; L974-I978 WeakPolarHBondContact O-CG1 3.34Å; L974-I978 PolarHBondContact O-N 3.35Å
975R88.1Confident87.2Confident153 Ų15399.6 Ų99.658%0.57747%0.465SS*.Hα-helixtrans-62.6-52.5170.6-80.8168.4172.2-167-5.3110.5I971 E972 K977 I978 Q979I971-R975 HydrophobicContact CG2-CG 4.31Å; I971-R975 VanDerWaalsContact O-CB 3.24Å; I971-R975 WeakPolarHBondContact O-CB 3.49Å; I971-R975 WeakPolarHBondContact O-CG 3.44Å; I971-R975 PolarHBondContact O-N 2.9Å; E972-R975 PolarHBondContact O-N 2.65Å; E972-R975 IonicContact OE2-NH1 2.98Å; R975-K977 PolarHBondContact O-N 3.08Å; R975-I978 CarbonylContact O-C 2.98Å; R975-I978 PolarHBondContact O-N 3.01Å; R975-I978 VanDerWaalsContact O-N 3.16Å; R975-Q979 VanDerWaalsContact O-CB 3.24Å; R975-Q979 WeakPolarHBondContact O-CB 3.29Å; R975-Q979 PolarHBondContact O-N 3.04Å
976S89.6Confident87.1Confident49 Ų49100.3 Ų100.334%0.34347%0.468SS..Hα-helixtrans-59-28.9174.7177.10000113.1E972 R980E972-S976 VanDerWaalsContact O-CB 3.23Å; E972-S976 WeakPolarHBondContact O-CB 3.46Å; E972-S976 PolarHBondContact O-N 2.95Å; S976-R980 VanDerWaalsContact O-CB 3.27Å; S976-R980 WeakPolarHBondContact O-CB 3.27Å; S976-R980 WeakPolarHBondContact O-CG 3.45Å; S976-R980 PolarHBondContact O-N 2.88Å; S976-R980 PolarHBondContact O-NE 3.1Å; S976-R980 PolarHBondContact OG-NE 3.45Å; S976-R980 PolarHBondContact OG-NH2 3.31Å; S976-R980 VanDerWaalsContact OG-NH2 3.12Å
977K90.3Very high87Confident126 Ų126101.6 Ų101.655%0.54847%0.468SS..Hα-helixtrans-92.2-22.1179-165.3174.9-167.4173.20113Q973 L974 R975 K981Q973-K977 WeakPolarHBondContact O-CB 3.32Å; Q973-K977 PolarHBondContact O-N 3.46Å; L974-K977 CarbonylContact O-C 3.02Å; L974-K977 PolarHBondContact O-N 2.67Å; R975-K977 PolarHBondContact O-N 3.08Å; K977-K981 WeakPolarHBondContact O-CB 3.48Å; K977-K981 WeakPolarHBondContact O-CG 2.89Å; K977-K981 PolarHBondContact O-N 3.27Å; K977-K981 VanDerWaalsContact O-N 3.09Å
978I82.3Confident86.7Confident80 Ų80102.1 Ų102.141%0.4147%0.465SS..Hα-helixtrans-75.5-49166.3-77.9167.1000108.1L974 R975 K981 Q982L974-I978 HydrophobicContact CD2-CD1 4.26Å; L974-I978 HydrophobicContact CG-CD1 3.81Å; L974-I978 HydrophobicContact CG-CG1 4.32Å; L974-I978 WeakPolarHBondContact O-CA 3.01Å; L974-I978 WeakPolarHBondContact O-CB 2.94Å; L974-I978 WeakPolarHBondContact O-CG1 3.34Å; L974-I978 PolarHBondContact O-N 3.35Å; R975-I978 CarbonylContact O-C 2.98Å; R975-I978 PolarHBondContact O-N 3.01Å; R975-I978 VanDerWaalsContact O-N 3.16Å; I978-K981 CarbonylContact O-C 3.47Å; I978-K981 VanDerWaalsContact O-C 3.3Å; I978-K981 WeakPolarHBondContact O-CA 3Å; I978-K981 WeakPolarHBondContact O-CB 2.8Å; I978-K981 PolarHBondContact O-N 3.11Å; I978-Q982 HydrophobicContact CG2-CG 4.34Å; I978-Q982 WeakPolarHBondContact O-CB 3.37Å; I978-Q982 WeakPolarHBondContact O-CG 3.27Å; I978-Q982 PolarHBondContact O-N 2.84Å
979Q87.8Confident86.7Confident106 Ų106101.4 Ų101.450%0.49547%0.466SS..Hα-helixtrans-60-51.2174-179.4173.7-22.300110.9R975 K981 Q982 E983R975-Q979 VanDerWaalsContact O-CB 3.24Å; R975-Q979 WeakPolarHBondContact O-CB 3.29Å; R975-Q979 PolarHBondContact O-N 3.04Å; Q979-K981 PolarHBondContact O-N 2.91Å; Q979-Q982 CarbonylContact O-C 3.3Å; Q979-Q982 WeakPolarHBondContact O-CA 3.3Å; Q979-Q982 WeakPolarHBondContact O-CB 3.49Å; Q979-Q982 PolarHBondContact O-N 3.3Å; Q979-E983 HydrophobicContact CG-CG 4.18Å; Q979-E983 VanDerWaalsContact CG-OE1 3.31Å; Q979-E983 WeakPolarHBondContact CG-OE1 3.24Å; Q979-E983 PolarHBondContact NE2-OE1 3.17Å; Q979-E983 WeakPolarHBondContact O-CB 3.25Å; Q979-E983 WeakPolarHBondContact O-CG 3.03Å; Q979-E983 PolarHBondContact O-N 2.8Å
980R88.2Confident86.6Confident131 Ų131102.9 Ų102.949%0.49447%0.469SS..Hα-helixtrans-62.6-26.6171.8-82.5176-68.5135.7-4.9113.3S976 E984S976-R980 VanDerWaalsContact O-CB 3.27Å; S976-R980 WeakPolarHBondContact O-CB 3.27Å; S976-R980 WeakPolarHBondContact O-CG 3.45Å; S976-R980 PolarHBondContact O-N 2.88Å; S976-R980 PolarHBondContact O-NE 3.1Å; S976-R980 PolarHBondContact OG-NE 3.45Å; S976-R980 PolarHBondContact OG-NH2 3.31Å; S976-R980 VanDerWaalsContact OG-NH2 3.12Å; R980-E984 WeakPolarHBondContact O-CB 3.36Å; R980-E984 PolarHBondContact O-N 2.93Å
981K90.8Very high86.1Confident149 Ų149103.3 Ų103.365%0.64847%0.471SS*.Hα-helixtrans-76.4-27.6169.5-87.9-177171.1-167.60112.8K977 I978 Q979 S985K977-K981 WeakPolarHBondContact O-CB 3.48Å; K977-K981 WeakPolarHBondContact O-CG 2.89Å; K977-K981 PolarHBondContact O-N 3.27Å; K977-K981 VanDerWaalsContact O-N 3.09Å; I978-K981 CarbonylContact O-C 3.47Å; I978-K981 VanDerWaalsContact O-C 3.3Å; I978-K981 WeakPolarHBondContact O-CA 3Å; I978-K981 WeakPolarHBondContact O-CB 2.8Å; I978-K981 PolarHBondContact O-N 3.11Å; Q979-K981 PolarHBondContact O-N 2.91Å; K981-S985 WeakPolarHBondContact O-CA 3.34Å; K981-S985 WeakPolarHBondContact O-CB 3.48Å; K981-S985 PolarHBondContact O-N 3.35Å; K981-S985 PolarHBondContact O-OG 3.35Å
982Q87.4Confident86.1Confident108 Ų108101.8 Ų101.851%0.50547%0.468SS..Hα-helixtrans-71.9-62.8172.6-76.5168.4-52.700107.1I978 Q979 E984 S985 E986I978-Q982 HydrophobicContact CG2-CG 4.34Å; I978-Q982 WeakPolarHBondContact O-CB 3.37Å; I978-Q982 WeakPolarHBondContact O-CG 3.27Å; I978-Q982 PolarHBondContact O-N 2.84Å; Q979-Q982 CarbonylContact O-C 3.3Å; Q979-Q982 WeakPolarHBondContact O-CA 3.3Å; Q979-Q982 WeakPolarHBondContact O-CB 3.49Å; Q979-Q982 PolarHBondContact O-N 3.3Å; Q982-E984 PolarHBondContact O-N 3.17Å; Q982-E984 VanDerWaalsContact O-N 3.12Å; Q982-S985 WeakPolarHBondContact CA-OG 3.04Å; Q982-S985 CarbonylContact O-C 3.48Å; Q982-S985 VanDerWaalsContact O-C 3.27Å; Q982-S985 WeakPolarHBondContact O-CA 3.46Å; Q982-S985 PolarHBondContact O-N 3.06Å; Q982-S985 PolarHBondContact O-OG 3.41Å; Q982-E986 WeakPolarHBondContact O-CA 3.42Å; Q982-E986 WeakPolarHBondContact O-CB 3.48Å; Q982-E986 PolarHBondContact O-N 2.97Å
983E86.9Confident85.3Confident67 Ų67100.3 Ų100.331%0.31346%0.463SS..Hα-helixtrans-48-37.4171.2-66.6169.2-175.500114.1Q979 E986 R987Q979-E983 HydrophobicContact CG-CG 4.18Å; Q979-E983 VanDerWaalsContact CG-OE1 3.31Å; Q979-E983 WeakPolarHBondContact CG-OE1 3.24Å; Q979-E983 PolarHBondContact NE2-OE1 3.17Å; Q979-E983 WeakPolarHBondContact O-CB 3.25Å; Q979-E983 WeakPolarHBondContact O-CG 3.03Å; Q979-E983 PolarHBondContact O-N 2.8Å; E983-E986 CarbonylContact O-C 3.36Å; E983-R987 WeakPolarHBondContact O-CB 3.14Å; E983-R987 PolarHBondContact O-N 3.32Å
984E86.5Confident84.7Confident69 Ų69101.9 Ų101.932%0.32246%0.463SS..Hα-helixtrans-84.8-30.6176-178.251.6-143.800112.6R980 Q982 R987 R988R980-E984 WeakPolarHBondContact O-CB 3.36Å; R980-E984 PolarHBondContact O-N 2.93Å; Q982-E984 PolarHBondContact O-N 3.17Å; Q982-E984 VanDerWaalsContact O-N 3.12Å; E984-R987 IonicContact OE2-CZ 2.91Å; E984-R987 VanDerWaalsContact OE2-CZ 3.25Å; E984-R987 IonicContact OE2-NE 3.32Å; E984-R987 PolarHBondContact OE2-NE 3.44Å; E984-R987 IonicContact OE2-NH2 3.54Å; E984-R987 PolarHBondContact OE2-NH2 3.06Å; E984-R988 VanDerWaalsContact O-CB 3.26Å; E984-R988 WeakPolarHBondContact O-CB 3.35Å; E984-R988 VanDerWaalsContact O-CG 3.32Å; E984-R988 WeakPolarHBondContact O-CG 3.39Å; E984-R988 PolarHBondContact O-N 2.88Å; E984-R988 PolarHBondContact O-NE 3.45Å; E984-R988 VanDerWaalsContact OE1-CD 3.32Å; E984-R988 WeakPolarHBondContact OE1-CD 3.4Å; E984-R988 WeakPolarHBondContact OE1-CG 3.33Å; E984-R988 IonicContact OE1-NE 3.52Å; E984-R988 PolarHBondContact OE1-NE 3.49Å
985S83.8Confident84.2Confident52 Ų52100.9 Ų100.936%0.36446%0.457SS..Hα-helixtrans-71.3-19.3164.573.70000112K981 Q982 R988 H989K981-S985 WeakPolarHBondContact O-CA 3.34Å; K981-S985 WeakPolarHBondContact O-CB 3.48Å; K981-S985 PolarHBondContact O-N 3.35Å; K981-S985 PolarHBondContact O-OG 3.35Å; Q982-S985 WeakPolarHBondContact CA-OG 3.04Å; Q982-S985 CarbonylContact O-C 3.48Å; Q982-S985 VanDerWaalsContact O-C 3.27Å; Q982-S985 WeakPolarHBondContact O-CA 3.46Å; Q982-S985 PolarHBondContact O-N 3.06Å; Q982-S985 PolarHBondContact O-OG 3.41Å; S985-R988 CarbonylContact O-C 3.56Å; S985-H989 VanDerWaalsContact O-CA 3.26Å; S985-H989 WeakPolarHBondContact O-CA 3.44Å; S985-H989 WeakPolarHBondContact O-CB 3.27Å; S985-H989 PolarHBondContact O-N 3.11Å
986E86.4Confident83.2Confident102 Ų10297.6 Ų97.648%0.47745%0.45SS..Hα-helixtrans-98.1-29.8-175.4-176.5175.7-141.400110.3Q982 E983 Q990Q982-E986 WeakPolarHBondContact O-CA 3.42Å; Q982-E986 WeakPolarHBondContact O-CB 3.48Å; Q982-E986 PolarHBondContact O-N 2.97Å; E983-E986 CarbonylContact O-C 3.36Å; E986-Q990 WeakPolarHBondContact O-CA 3.43Å; E986-Q990 WeakPolarHBondContact O-CB 3.44Å; E986-Q990 WeakPolarHBondContact O-CG 3.29Å; E986-Q990 PolarHBondContact O-N 3.37Å
987R88.3Confident82.2Confident135 Ų13599.2 Ų99.251%0.50946%0.461SS..Hα-helixtrans-62.5-53.4155.2-87.6-169.3-64.2-80.7-4.8110.1E983 E984 H989 Q990 E991E983-R987 WeakPolarHBondContact O-CB 3.14Å; E983-R987 PolarHBondContact O-N 3.32Å; E984-R987 IonicContact OE2-CZ 2.91Å; E984-R987 VanDerWaalsContact OE2-CZ 3.25Å; E984-R987 IonicContact OE2-NE 3.32Å; E984-R987 PolarHBondContact OE2-NE 3.44Å; E984-R987 IonicContact OE2-NH2 3.54Å; E984-R987 PolarHBondContact OE2-NH2 3.06Å; R987-H989 PolarHBondContact O-N 3.19Å; R987-Q990 PolarHBondContact O-N 3.24Å; R987-E991 WeakPolarHBondContact O-CB 3.46Å; R987-E991 PolarHBondContact O-N 3.17Å
988R79.9Confident81.1Confident132 Ų13298.2 Ų98.250%0.49845%0.453SS..Hα-helixtrans-69.2-17.9177.5-69.5178.6-60.3112.111.2113.5E984 S985 S992E984-R988 VanDerWaalsContact O-CB 3.26Å; E984-R988 WeakPolarHBondContact O-CB 3.35Å; E984-R988 VanDerWaalsContact O-CG 3.32Å; E984-R988 WeakPolarHBondContact O-CG 3.39Å; E984-R988 PolarHBondContact O-N 2.88Å; E984-R988 PolarHBondContact O-NE 3.45Å; E984-R988 VanDerWaalsContact OE1-CD 3.32Å; E984-R988 WeakPolarHBondContact OE1-CD 3.4Å; E984-R988 WeakPolarHBondContact OE1-CG 3.33Å; E984-R988 IonicContact OE1-NE 3.52Å; E984-R988 PolarHBondContact OE1-NE 3.49Å; S985-R988 CarbonylContact O-C 3.56Å; R988-S992 WeakPolarHBondContact O-CA 3.23Å; R988-S992 WeakPolarHBondContact O-CB 3.3Å; R988-S992 PolarHBondContact O-N 2.98Å
989H83.8Confident80.4Confident103 Ų10399.2 Ų99.248%0.47746%0.455SS..Hα-helixtrans-92.8-26.8172.4178.970.4000111.4S985 R987 S992 L993S985-H989 VanDerWaalsContact O-CA 3.26Å; S985-H989 WeakPolarHBondContact O-CA 3.44Å; S985-H989 WeakPolarHBondContact O-CB 3.27Å; S985-H989 PolarHBondContact O-N 3.11Å; R987-H989 PolarHBondContact O-N 3.19Å; H989-S992 CarbonylContact O-C 3.58Å; H989-L993 WeakPolarHBondContact NE2-CD1 3.09Å; H989-L993 VanDerWaalsContact O-CA 3.31Å; H989-L993 WeakPolarHBondContact O-CA 3.36Å; H989-L993 WeakPolarHBondContact O-CB 3.44Å; H989-L993 WeakPolarHBondContact O-CD1 3.31Å; H989-L993 WeakPolarHBondContact O-CG 3.44Å; H989-L993 PolarHBondContact O-N 3.16Å
990Q81.6Confident78.4Confident91 Ų9196.3 Ų96.343%0.42545%0.449SS..Hα-helixtrans-72.8-36.8165.4-77.9178.327.600110.9E986 R987 L993 R994E986-Q990 WeakPolarHBondContact O-CA 3.43Å; E986-Q990 WeakPolarHBondContact O-CB 3.44Å; E986-Q990 WeakPolarHBondContact O-CG 3.29Å; E986-Q990 PolarHBondContact O-N 3.37Å; R987-Q990 PolarHBondContact O-N 3.24Å; Q990-L993 CarbonylContact O-C 3.49Å; Q990-L993 PolarHBondContact O-N 3.38Å; Q990-R994 WeakPolarHBondContact O-CB 3.1Å; Q990-R994 WeakPolarHBondContact O-CG 3.36Å; Q990-R994 PolarHBondContact O-N 2.92Å
991E79.8Confident76.7Confident123 Ų12398.1 Ų98.158%0.57546%0.461SS*.Hα-helixtrans-69.7-45.8170.4-176.3170.7-128.200110.1R987 L993 R994 E995R987-E991 WeakPolarHBondContact O-CB 3.46Å; R987-E991 PolarHBondContact O-N 3.17Å; E991-L993 PolarHBondContact O-N 3.43Å; E991-R994 CarbonylContact O-C 3.57Å; E991-R994 PolarHBondContact O-N 2.79Å; E991-E995 WeakPolarHBondContact O-CB 3.39Å; E991-E995 PolarHBondContact O-N 3.38Å
992S79.5Confident74.6Confident47 Ų4795.5 Ų95.533%0.32945%0.451SS..Hα-helixtrans-69.1-17.4171-170.80000113.1R988 H989 I996R988-S992 WeakPolarHBondContact O-CA 3.23Å; R988-S992 WeakPolarHBondContact O-CB 3.3Å; R988-S992 PolarHBondContact O-N 2.98Å; H989-S992 CarbonylContact O-C 3.58Å; S992-I996 WeakPolarHBondContact O-CA 3.5Å; S992-I996 WeakPolarHBondContact O-CB 3.37Å; S992-I996 VanDerWaalsContact O-CD1 3.29Å; S992-I996 WeakPolarHBondContact O-CD1 3.45Å; S992-I996 WeakPolarHBondContact O-CG1 3.24Å; S992-I996 PolarHBondContact O-N 3.42Å; S992-I996 WeakPolarHBondContact OG-CD1 3.41Å
993L72.7Confident72.3Confident74 Ų7495.5 Ų95.539%0.38745%0.452SS..Hα-helixtrans-88.8-26.6171.2-81.9170.4000110.7H989 Q990 E991 S997H989-L993 WeakPolarHBondContact NE2-CD1 3.09Å; H989-L993 VanDerWaalsContact O-CA 3.31Å; H989-L993 WeakPolarHBondContact O-CA 3.36Å; H989-L993 WeakPolarHBondContact O-CB 3.44Å; H989-L993 WeakPolarHBondContact O-CD1 3.31Å; H989-L993 WeakPolarHBondContact O-CG 3.44Å; H989-L993 PolarHBondContact O-N 3.16Å; Q990-L993 CarbonylContact O-C 3.49Å; Q990-L993 PolarHBondContact O-N 3.38Å; E991-L993 PolarHBondContact O-N 3.43Å; L993-S997 WeakPolarHBondContact O-CA 3.47Å; L993-S997 WeakPolarHBondContact O-CB 3.36Å; L993-S997 PolarHBondContact O-N 2.93Å; L993-S997 PolarHBondContact O-OG 2.83Å
994R76.3Confident70.2Confident162 Ų16297.1 Ų97.161%0.61147%0.471SS*.Hα-helixtrans-69.8-40.5164.5-72.6165.6-157.3144.610.9109.7Q990 E991 S997 R998Q990-R994 WeakPolarHBondContact O-CB 3.1Å; Q990-R994 WeakPolarHBondContact O-CG 3.36Å; Q990-R994 PolarHBondContact O-N 2.92Å; E991-R994 CarbonylContact O-C 3.57Å; E991-R994 PolarHBondContact O-N 2.79Å; R994-S997 CarbonylContact O-C 3.6Å; R994-S997 PolarHBondContact O-N 3.33Å; R994-R998 WeakPolarHBondContact O-CB 3.27Å; R994-R998 PolarHBondContact O-N 3.01Å
995E78.2Confident67.5Low60 Ų60100 Ų10028%0.2849%0.487SS..Hα-helixtrans-77-28.2176.8178.257-162.100112.6E991 R998 K999E991-E995 WeakPolarHBondContact O-CB 3.39Å; E991-E995 PolarHBondContact O-N 3.38Å; E995-R998 IonicContact OE1-CZ 3.3Å; E995-R998 IonicContact OE1-NE 2.73Å; E995-R998 IonicContact OE1-NH2 3.97Å; E995-R998 PolarHBondContact OE1-NH2 3.17Å; E995-R998 IonicContact OE2-CZ 3.97Å; E995-R998 IonicContact OE2-NE 3.23Å; E995-R998 PolarHBondContact OE2-NE 3.26Å; E995-R998 IonicContact OE2-NH2 2.89Å; E995-K999 HydrophobicContact CG-CD 4.4Å; E995-K999 WeakPolarHBondContact O-CB 3.43Å; E995-K999 VanDerWaalsContact O-CG 3.27Å; E995-K999 WeakPolarHBondContact O-CG 3.48Å; E995-K999 PolarHBondContact O-N 3.33Å; E995-K999 WeakPolarHBondContact OE1-CD 3.37Å; E995-K999 WeakPolarHBondContact OE1-CE 3.47Å; E995-K999 IonicContact OE1-NZ 2.95Å; E995-K999 PolarHBondContact OE1-NZ 2.94Å
996I66.9Low65.1Low84 Ų84102.8 Ų102.843%0.43150%0.498SS..Hα-helixtrans-85.1-25.8168.8-70164.3000111S992 R998 A1000S992-I996 WeakPolarHBondContact O-CA 3.5Å; S992-I996 WeakPolarHBondContact O-CB 3.37Å; S992-I996 VanDerWaalsContact O-CD1 3.29Å; S992-I996 WeakPolarHBondContact O-CD1 3.45Å; S992-I996 WeakPolarHBondContact O-CG1 3.24Å; S992-I996 PolarHBondContact O-N 3.42Å; S992-I996 WeakPolarHBondContact OG-CD1 3.41Å; I996-R998 VanDerWaalsContact C-N 3.34Å; I996-A1000 HydrophobicContact CG2-CB 4.42Å; I996-A1000 VanDerWaalsContact O-CA 3.26Å; I996-A1000 WeakPolarHBondContact O-CA 3.29Å; I996-A1000 WeakPolarHBondContact O-CB 3.17Å; I996-A1000 PolarHBondContact O-N 3.39Å
997S69.6Low62.5Low82 Ų82102.2 Ų102.257%0.57350%0.501SS*.Hα-helixtrans-74.2-28.2164.5-72.70000111.2L993 R994 F1001L993-S997 WeakPolarHBondContact O-CA 3.47Å; L993-S997 WeakPolarHBondContact O-CB 3.36Å; L993-S997 PolarHBondContact O-N 2.93Å; L993-S997 PolarHBondContact O-OG 2.83Å; R994-S997 CarbonylContact O-C 3.6Å; R994-S997 PolarHBondContact O-N 3.33Å; S997-F1001 WeakPolarHBondContact O-CB 3.32Å; S997-F1001 PolarHBondContact O-N 3.14Å
998R66.9Low59.8Low105 Ų105103.8 Ų103.840%0.39651%0.514SS..Hα-helixtrans-70.7-52.5169-163.1-16769.961.819.1109.9R994 E995 I996 A1000 F1001 E1002R994-R998 WeakPolarHBondContact O-CB 3.27Å; R994-R998 PolarHBondContact O-N 3.01Å; E995-R998 IonicContact OE1-CZ 3.3Å; E995-R998 IonicContact OE1-NE 2.73Å; E995-R998 IonicContact OE1-NH2 3.97Å; E995-R998 PolarHBondContact OE1-NH2 3.17Å; E995-R998 IonicContact OE2-CZ 3.97Å; E995-R998 IonicContact OE2-NE 3.23Å; E995-R998 PolarHBondContact OE2-NE 3.26Å; E995-R998 IonicContact OE2-NH2 2.89Å; I996-R998 VanDerWaalsContact C-N 3.34Å; R998-A1000 PolarHBondContact O-N 2.79Å; R998-F1001 WeakPolarHBondContact O-CB 3.39Å; R998-F1001 PolarHBondContact O-N 2.84Å; R998-F1001 VanDerWaalsContact O-N 3.13Å; R998-E1002 IonicContact CZ-OE1 3.72Å; R998-E1002 IonicContact CZ-OE2 3.78Å; R998-E1002 VanDerWaalsContact CZ-OE2 3.3Å; R998-E1002 IonicContact NH1-OE1 2.72Å; R998-E1002 PolarHBondContact NH1-OE1 3.04Å; R998-E1002 IonicContact NH1-OE2 2.95Å; R998-E1002 PolarHBondContact NH1-OE2 2.64Å; R998-E1002 IonicContact NH2-OE1 2.71Å; R998-E1002 IonicContact NH2-OE2 3.99Å; R998-E1002 PolarHBondContact NH2-OE2 3.05Å; R998-E1002 WeakPolarHBondContact O-CG 3.45Å; R998-E1002 PolarHBondContact O-N 2.85Å
999K67.4Low57.5Low101 Ų101104.4 Ų104.444%0.43953%0.533SS..Hα-helixtrans-68.4-28.1177.2-78176.61641240113.9E995 E1002 M1003E995-K999 HydrophobicContact CG-CD 4.4Å; E995-K999 WeakPolarHBondContact O-CB 3.43Å; E995-K999 VanDerWaalsContact O-CG 3.27Å; E995-K999 WeakPolarHBondContact O-CG 3.48Å; E995-K999 PolarHBondContact O-N 3.33Å; E995-K999 WeakPolarHBondContact OE1-CD 3.37Å; E995-K999 WeakPolarHBondContact OE1-CE 3.47Å; E995-K999 IonicContact OE1-NZ 2.95Å; E995-K999 PolarHBondContact OE1-NZ 2.94Å; K999-E1002 WeakPolarHBondContact CA-OE2 3.01Å; K999-E1002 CarbonylContact O-C 3.46Å; K999-E1002 WeakPolarHBondContact O-CB 3.26Å; K999-E1002 PolarHBondContact O-N 3.16Å; K999-M1003 WeakPolarHBondContact O-CA 3.49Å; K999-M1003 WeakPolarHBondContact O-CB 3.32Å; K999-M1003 PolarHBondContact O-N 2.99Å
1000A46.5Very low54.9Low46 Ų46102.5 Ų102.538%0.3854%0.54SS..Hα-helixtrans-96.53.9172.100000112.2I996 R998 S1004I996-A1000 HydrophobicContact CG2-CB 4.42Å; I996-A1000 VanDerWaalsContact O-CA 3.26Å; I996-A1000 WeakPolarHBondContact O-CA 3.29Å; I996-A1000 WeakPolarHBondContact O-CB 3.17Å; I996-A1000 PolarHBondContact O-N 3.39Å; R998-A1000 PolarHBondContact O-N 2.79Å; A1000-S1004 WeakPolarHBondContact O-CA 2.93Å; A1000-S1004 WeakPolarHBondContact O-CB 3.4Å; A1000-S1004 PolarHBondContact O-N 3.2Å
1001F51.1Low52.4Low168 Ų168106.2 Ų106.274%0.73756%0.563SS**Hα-helixtrans-81.8-40.8150.2-176.7-102.4000108.9S997 R998 M1003S997-F1001 WeakPolarHBondContact O-CB 3.32Å; S997-F1001 PolarHBondContact O-N 3.14Å; R998-F1001 WeakPolarHBondContact O-CB 3.39Å; R998-F1001 PolarHBondContact O-N 2.84Å; R998-F1001 VanDerWaalsContact O-N 3.13Å; F1001-M1003 VanDerWaalsContact C-N 3.3Å; F1001-M1003 PolarHBondContact O-N 3.22Å
1002E46.7Very low49.9Very low95 Ų95106.9 Ų106.944%0.44457%0.571SS.*Hα-helixtrans-66.4-25168.5-63.1171.2141.400113.6R998 K999 I1005R998-E1002 IonicContact CZ-OE1 3.72Å; R998-E1002 IonicContact CZ-OE2 3.78Å; R998-E1002 VanDerWaalsContact CZ-OE2 3.3Å; R998-E1002 IonicContact NH1-OE1 2.72Å; R998-E1002 PolarHBondContact NH1-OE1 3.04Å; R998-E1002 IonicContact NH1-OE2 2.95Å; R998-E1002 PolarHBondContact NH1-OE2 2.64Å; R998-E1002 IonicContact NH2-OE1 2.71Å; R998-E1002 IonicContact NH2-OE2 3.99Å; R998-E1002 PolarHBondContact NH2-OE2 3.05Å; R998-E1002 WeakPolarHBondContact O-CG 3.45Å; R998-E1002 PolarHBondContact O-N 2.85Å; K999-E1002 WeakPolarHBondContact CA-OE2 3.01Å; K999-E1002 CarbonylContact O-C 3.46Å; K999-E1002 WeakPolarHBondContact O-CB 3.26Å; K999-E1002 PolarHBondContact O-N 3.16Å; E1002-I1005 WeakPolarHBondContact O-CB 3.28Å
1003M40Very low47.5Very low107 Ų107109.5 Ų109.553%0.52759%0.589SS.*SBendtrans-128.35-170.2-15393.66900113.3K999 F1001 I1005 L1006 T1007K999-M1003 WeakPolarHBondContact O-CA 3.49Å; K999-M1003 WeakPolarHBondContact O-CB 3.32Å; K999-M1003 PolarHBondContact O-N 2.99Å; F1001-M1003 VanDerWaalsContact C-N 3.3Å; F1001-M1003 PolarHBondContact O-N 3.22Å; M1003-I1005 PolarHBondContact O-N 2.94Å; M1003-L1006 VanDerWaalsContact C-N 3.34Å; M1003-L1006 HydrophobicContact CG-CB 3.84Å; M1003-L1006 CarbonylContact O-C 3.59Å; M1003-L1006 WeakPolarHBondContact O-CA 3.48Å; M1003-L1006 PolarHBondContact O-N 2.95Å; M1003-L1006 HydrophobicContact SD-CB 3.76Å; M1003-L1006 HydrophobicContact SD-CD1 4.46Å; M1003-T1007 PolarHBondContact O-N 3.08Å; M1003-T1007 VanDerWaalsContact O-N 3.12Å
1004S43.3Very low45.3Very low101 Ų101112.1 Ų112.171%0.70660%0.603SS**THydrogen-bonded Turntrans-71.7-4147-1770000110.8A1000 L1006A1000-S1004 WeakPolarHBondContact O-CA 2.93Å; A1000-S1004 WeakPolarHBondContact O-CB 3.4Å; A1000-S1004 PolarHBondContact O-N 3.2Å; S1004-L1006 VanDerWaalsContact C-N 3.31Å
1005I28.3Very low43Very low129 Ų129110.3 Ų110.366%0.66261%0.61SS**THydrogen-bonded Turntrans-77.4-18.1159.4-49.5177.3000110.6E1002 M1003E1002-I1005 WeakPolarHBondContact O-CB 3.28Å; M1003-I1005 PolarHBondContact O-N 2.94Å
1006L33.3Very low40.7Very low112 Ų112114.3 Ų114.359%0.58664%0.638SS**SBendtrans-140.253.9-179.1-76.9102.1000114M1003 S1004M1003-L1006 VanDerWaalsContact C-N 3.34Å; M1003-L1006 HydrophobicContact CG-CB 3.84Å; M1003-L1006 CarbonylContact O-C 3.59Å; M1003-L1006 WeakPolarHBondContact O-CA 3.48Å; M1003-L1006 PolarHBondContact O-N 2.95Å; M1003-L1006 HydrophobicContact SD-CB 3.76Å; M1003-L1006 HydrophobicContact SD-CD1 4.46Å; S1004-L1006 VanDerWaalsContact C-N 3.31Å
1007T32.5Very low39.2Very low90 Ų90116.2 Ų116.255%0.55266%0.656SS**  40.6106.2129.357.30000121.2M1003M1003-T1007 PolarHBondContact O-N 3.08Å; M1003-T1007 VanDerWaalsContact O-N 3.12Å
1008H31.3Very low37.5Very low168 Ų168115.9 Ų115.978%0.77867%0.666SS**  trans74.4156.4134.4-48-49.3000122.1
1009T30.9Very low36Very low145 Ų145117.8 Ų117.889%0.8968%0.682SS**  trans65.2138.3169.171.80000119
1010G31.1Very low34.3Very low62 Ų62121 Ų12164%0.63970%0.699SS**  cis-179.6148.5-9.700000115.8
1011D27.9Very low34.1Very low169 Ų169123.5 Ų123.590%0.90471%0.711SS**  trans76.1171.7149.8-5493.4000120.3
1012D27.7Very low33.8Very low137 Ų137122.7 Ų122.773%0.73370%0.704SS**  trans-142.9-154.1-151.8-159.130.6000110.7
1013S29Very low34Very low102 Ų102124.5 Ų124.571%0.71372%0.724SS**  cis-160.6-165.513.7-154.60000115.8
1014L26.9Very low34.7Very low129 Ų129122.8 Ų122.868%0.67572%0.719SS**  trans-92.8144.4-157-93.370.2000118
1015T28Very low35.8Very low124 Ų124122.5 Ų122.576%0.76171%0.707SS**  47.5150.9128.171.20000125.2
1016V29Very low38.1Very low144 Ų144118.1 Ų118.187%0.87368%0.683SS**  trans-141139.4-179.3178.20000112.6
1017P35.3Very low40.3Very low125 Ų125116.3 Ų116.381%0.81267%0.669SS**  trans-123.6167.417740.6-28.9000116.5
1018G34.1Very low42.9Very low75 Ų75112 Ų11277%0.77364%0.642SS**  trans83.3134.6155.100000119.2
1019I35.7Very low45.3Very low144 Ų144110.6 Ų110.674%0.73863%0.634SS**  trans-149.6131.3172.4-55.5-180000110.9
1020E31.4Very low47.6Very low170 Ų170105.3 Ų105.379%0.79461%0.605SS**  trans-130.4159.7165.6-77.9-168129.700111.7
1021P42Very low49.9Very low98 Ų98103.3 Ų103.364%0.63658%0.58SS**  trans-81.5137.9-172.4-12.931000114.4E1038P1021-E1038 WeakPolarHBondContact CA-OE1 3.48Å; P1021-E1038 WeakPolarHBondContact CB-OE1 3.4Å
1022Y44.7Very low52.3Low151 Ų151102.5 Ų102.559%0.59257%0.572SS**  trans-72.2134.8-177.6-62.8-77.9000114.2
1023P51.2Low54.6Low132 Ų13297.9 Ų97.986%0.85755%0.548SS*.SBendtrans-80.8-13.5174.731.4-34.5000114.3
1024V55.3Low57Low71 Ų7196.5 Ų96.543%0.4353%0.531SS..SBendtrans-112.8135.3-178.9-173.20000110.2D1078V1024-D1078 WeakPolarHBondContact CB-OD1 3.5Å; V1024-D1078 HydrophobicContact CG1-CB 3.83Å; V1024-D1078 WeakPolarHBondContact CG1-OD1 3.4Å
1025Q65.9Low59.3Low95 Ų9590.7 Ų90.744%0.44450%0.501SS..  trans-68.7137.2177.9-64-178.810.900110.3M1034 A1079Q1025-M1034 PolarHBondContact OE1-SD 3.38Å; Q1025-M1034 VanDerWaalsContact OE1-SD 3.34Å; Q1025-A1079 HydrophobicContact CB-CB 4.39Å; Q1025-A1079 VanDerWaalsContact O-CB 3.3Å; Q1025-A1079 WeakPolarHBondContact O-CB 3.28Å; Q1025-A1079 PolarHBondContact O-N 3.27Å
1026K77.5Confident61.2Low37 Ų3789.5 Ų89.516%0.16149%0.489CS..EExtended strand (participates in β ladder)trans-95.3145.5-176.2-62.5-61.4-175.6-178.50111.4I1035 V1077 D1078K1026-I1035 HydrophobicContact CB-CB 4.37Å; K1026-I1035 PolarHBondContact N-O 3Å; K1026-I1035 VanDerWaalsContact N-O 3.15Å; K1026-I1035 WeakPolarHBondContact O-CA 3.24Å; K1026-I1035 WeakPolarHBondContact O-CB 3.44Å; K1026-I1035 PolarHBondContact O-N 3.35Å; K1026-V1077 CarbonylContact C-O 3.58Å; K1026-V1077 WeakPolarHBondContact CA-O 3.04Å; K1026-D1078 WeakPolarHBondContact CD-OD1 2.95Å; K1026-D1078 WeakPolarHBondContact CE-OD1 3.37Å; K1026-D1078 IonicContact NZ-OD1 2.74Å; K1026-D1078 PolarHBondContact NZ-OD1 2.89Å; K1026-D1078 IonicContact NZ-OD2 3.21Å; K1026-D1078 PolarHBondContact NZ-OD2 3.03Å
1027W78.5Confident63Low75 Ų7585.2 Ų85.228%0.28447%0.465SS..EExtended strand (participates in β ladder)trans-117.4117.7173.1174.2-94000109.2K1029 Q1032 M1034 H1075 V1077 A1079W1027-K1029 PolarHBondContact O-N 2.76Å; W1027-Q1032 HydrophobicContact CH2-CB 4.2Å; W1027-Q1032 VanDerWaalsContact CZ2-CA 3.48Å; W1027-Q1032 HydrophobicContact CZ2-CB 3.79Å; W1027-Q1032 HydrophobicContact CZ2-CG 4.28Å; W1027-M1034 HydrophobicContact CE3-CB 3.75Å; W1027-M1034 HydrophobicContact CE3-CG 4.38Å; W1027-M1034 HydrophobicContact CZ3-CB 3.97Å; W1027-H1075 VanDerWaalsContact O-O 3.11Å; W1027-V1077 PolarHBondContact N-O 3.08Å; W1027-V1077 PolarHBondContact O-N 3.04Å; W1027-V1077 VanDerWaalsContact O-N 3.07Å; W1027-A1079 HydrophobicContact CB-CB 4.44Å
1028C87.3Confident64.6Low0 Ų082.5 Ų82.50%044%0.442CS..EExtended strand (participates in β ladder)trans-79.1104.5171.7-179.40000109.9A1030 C1031 Q1032 V1033 I1035 H1044 H1075 L1076C1028-A1030 VanDerWaalsContact C-N 3.31Å; C1028-A1030 PolarHBondContact O-N 3.12Å; C1028-C1031 HydrophobicContact CB-CB 4.23Å; C1028-C1031 PolarHBondContact O-N 3.29Å; C1028-C1031 PolarHBondContact SG-N 2.92Å; C1028-Q1032 WeakPolarHBondContact O-CA 3.41Å; C1028-Q1032 PolarHBondContact O-N 3.21Å; C1028-V1033 PolarHBondContact N-O 3.42Å; C1028-V1033 PolarHBondContact O-N 3.48Å; C1028-I1035 HydrophobicContact CB-CD1 4.12Å; C1028-H1044 VanDerWaalsContact CB-NE2 3.27Å; C1028-H1044 WeakPolarHBondContact CB-NE2 3.28Å; C1028-H1044 PolarHBondContact SG-NE2 3.42Å; C1028-H1075 CarbonylContact C-O 3.58Å; C1028-H1075 WeakPolarHBondContact CA-O 3.34Å; C1028-L1076 HydrophobicContact CB-CD2 4.2Å
1029K80.9Confident66.3Low138 Ų13884.5 Ų84.560%0.644%0.438SS*.THydrogen-bonded Turntrans-61-35.1179.1-168.9173-177.91770113W1027 H1075 V1077W1027-K1029 PolarHBondContact O-N 2.76Å; K1029-H1075 HydrophobicContact CB-CB 4.48Å; K1029-H1075 PolarHBondContact N-O 2.72Å; K1029-V1077 HydrophobicContact CB-CG2 4.33Å; K1029-V1077 HydrophobicContact CD-CG2 4.42Å
1030A79Confident67.9Low34 Ų3481.2 Ų81.228%0.28142%0.42SS..THydrogen-bonded Turntrans-70.3-34177.600000113.5C1028 A1053 F1071 H1075C1028-A1030 VanDerWaalsContact C-N 3.31Å; C1028-A1030 PolarHBondContact O-N 3.12Å; A1030-A1053 HydrophobicContact CB-CB 4.28Å; A1030-F1071 HydrophobicContact CB-CE1 4.12Å; A1030-F1071 HydrophobicContact CB-CZ 3.91Å; A1030-H1075 HydrophobicContact CB-CB 3.93Å
1031C81.4Confident70Confident19 Ų1974.4 Ų74.413%0.12839%0.389CS..THydrogen-bonded Turntrans-101.3-12.2-177.7-78.50000114.5C1028 V1033 H1044 H1050C1028-C1031 HydrophobicContact CB-CB 4.23Å; C1028-C1031 PolarHBondContact O-N 3.29Å; C1028-C1031 PolarHBondContact SG-N 2.92Å; C1031-V1033 HydrophobicContact CB-CB 4.31Å; C1031-V1033 HydrophobicContact CB-CG2 4.02Å; C1031-H1044 WeakPolarHBondContact CB-CE1 3.46Å; C1031-H1044 WeakPolarHBondContact CB-NE2 3.35Å; C1031-H1044 VanDerWaalsContact SG-CE1 3.6Å; C1031-H1050 WeakPolarHBondContact SG-CA 3.47Å; C1031-H1050 PolarHBondContact SG-ND1 3.45Å; C1031-H1050 VanDerWaalsContact SG-ND1 3.44Å
1032Q77.4Confident71.4Confident153 Ų15375.9 Ų75.972%0.71539%0.385SS*.THydrogen-bonded Turntrans5250.9-168.1-57.9178.23.400112.1W1027 C1028W1027-Q1032 HydrophobicContact CH2-CB 4.2Å; W1027-Q1032 VanDerWaalsContact CZ2-CA 3.48Å; W1027-Q1032 HydrophobicContact CZ2-CB 3.79Å; W1027-Q1032 HydrophobicContact CZ2-CG 4.28Å; C1028-Q1032 WeakPolarHBondContact O-CA 3.41Å; C1028-Q1032 PolarHBondContact O-N 3.21Å
1033V76Confident72.9Confident40 Ų4072.4 Ų72.424%0.24238%0.383CS..EExtended strand (participates in β ladder)trans-126.5128.7-179.3172.50000110.2C1028 C1031 I1035C1028-V1033 PolarHBondContact N-O 3.42Å; C1028-V1033 PolarHBondContact O-N 3.48Å; C1031-V1033 HydrophobicContact CB-CB 4.31Å; C1031-V1033 HydrophobicContact CB-CG2 4.02Å; V1033-I1035 HydrophobicContact CG1-CG1 4.29Å
1034M78.5Confident74.4Confident73 Ų7367.2 Ų67.236%0.3635%0.347SS..EExtended strand (participates in β ladder)trans-82.6138.5171-165.9-87.6-84.300110.5Q1025 W1027 I1036Q1025-M1034 PolarHBondContact OE1-SD 3.38Å; Q1025-M1034 VanDerWaalsContact OE1-SD 3.34Å; W1027-M1034 HydrophobicContact CE3-CB 3.75Å; W1027-M1034 HydrophobicContact CE3-CG 4.38Å; W1027-M1034 HydrophobicContact CZ3-CB 3.97Å; M1034-I1036 HydrophobicContact CE-CD1 4.16Å; M1034-I1036 HydrophobicContact CE-CG1 3.8Å; M1034-I1036 HydrophobicContact SD-CD1 4.39Å; M1034-I1036 HydrophobicContact SD-CG1 3.45Å; M1034-I1036 WeakPolarHBondContact SD-CG1 3.13Å
1035I75.6Confident75.6Confident7 Ų765.8 Ų65.84%0.03634%0.337CS..EExtended strand (participates in β ladder)trans-129.1108.1-167.6-55.1177.4000109K1026 C1028 V1033 Q1040 L1041 H1044 L1076K1026-I1035 HydrophobicContact CB-CB 4.37Å; K1026-I1035 PolarHBondContact N-O 3Å; K1026-I1035 VanDerWaalsContact N-O 3.15Å; K1026-I1035 WeakPolarHBondContact O-CA 3.24Å; K1026-I1035 WeakPolarHBondContact O-CB 3.44Å; K1026-I1035 PolarHBondContact O-N 3.35Å; C1028-I1035 HydrophobicContact CB-CD1 4.12Å; V1033-I1035 HydrophobicContact CG1-CG1 4.29Å; I1035-Q1040 HydrophobicContact CG2-CB 4Å; I1035-L1041 HydrophobicContact CD1-CD1 3.81Å; I1035-L1041 HydrophobicContact CG2-CB 3.76Å; I1035-L1041 HydrophobicContact CG2-CD1 4.32Å; I1035-H1044 HydrophobicContact CD1-CB 4.22Å; I1035-L1076 HydrophobicContact CD1-CD2 3.81Å
1036I67.5Low76.1Confident98 Ų9868.7 Ų68.750%0.50335%0.35SS..  trans-90.2-11.9-169.3-44.2163.4000111.7M1034 Q1040M1034-I1036 HydrophobicContact CE-CD1 4.16Å; M1034-I1036 HydrophobicContact CE-CG1 3.8Å; M1034-I1036 HydrophobicContact SD-CD1 4.39Å; M1034-I1036 HydrophobicContact SD-CG1 3.45Å; M1034-I1036 WeakPolarHBondContact SD-CG1 3.13Å; I1036-Q1040 VanDerWaalsContact CB-OE1 3.27Å
1037S66.8Low76.1Confident54 Ų5468 Ų6838%0.37835%0.354SS..SBendtrans-160.9160.6-176.958.30000113.6V1039 Q1040 L1041S1037-V1039 VanDerWaalsContact C-N 3.25Å; S1037-V1039 PolarHBondContact O-N 3.26Å; S1037-Q1040 WeakPolarHBondContact O-CB 3.26Å; S1037-Q1040 PolarHBondContact O-N 3.22Å; S1037-Q1040 VanDerWaalsContact O-N 3.11Å; S1037-Q1040 WeakPolarHBondContact OG-CG 3.22Å; S1037-Q1040 PolarHBondContact OG-N 3.12Å; S1037-L1041 PolarHBondContact O-N 2.97Å
1038E70.5Confident76.1Confident69 Ų6972.4 Ų72.432%0.32238%0.375SS..Hα-helixtrans-55.9-35.3173.7-68.8-179-149.500114.3P1021 Q1040 L1041 K1042P1021-E1038 WeakPolarHBondContact CA-OE1 3.48Å; P1021-E1038 WeakPolarHBondContact CB-OE1 3.4Å; E1038-Q1040 VanDerWaalsContact C-N 3.34Å; E1038-L1041 WeakPolarHBondContact O-CB 3.48Å; E1038-L1041 PolarHBondContact O-N 3.04Å; E1038-K1042 PolarHBondContact O-N 3.21Å
1039V68.3Low75.7Confident116 Ų11681.3 Ų81.370%0.70341%0.409SS*.Hα-helixtrans-67.4-41.8178.9-179.40000109.5S1037 S1043S1037-V1039 VanDerWaalsContact C-N 3.25Å; S1037-V1039 PolarHBondContact O-N 3.26Å; V1039-S1043 WeakPolarHBondContact O-CB 3.06Å; V1039-S1043 PolarHBondContact O-N 2.95Å; V1039-S1043 PolarHBondContact O-OG 2.96Å
1040Q69.5Low75.9Confident76 Ų7674.8 Ų74.836%0.35538%0.38SS..Hα-helixtrans-63.3-43.9170.9-71.7176.7-2.300110.8I1035 I1036 S1037 E1038 K1042 S1043 H1044I1035-Q1040 HydrophobicContact CG2-CB 4Å; I1036-Q1040 VanDerWaalsContact CB-OE1 3.27Å; S1037-Q1040 WeakPolarHBondContact O-CB 3.26Å; S1037-Q1040 PolarHBondContact O-N 3.22Å; S1037-Q1040 VanDerWaalsContact O-N 3.11Å; S1037-Q1040 WeakPolarHBondContact OG-CG 3.22Å; S1037-Q1040 PolarHBondContact OG-N 3.12Å; E1038-Q1040 VanDerWaalsContact C-N 3.34Å; Q1040-K1042 PolarHBondContact O-N 3.41Å; Q1040-S1043 WeakPolarHBondContact CA-OG 3.41Å; Q1040-S1043 CarbonylContact O-C 3.32Å; Q1040-S1043 PolarHBondContact O-N 3.46Å; Q1040-S1043 PolarHBondContact O-OG 3.29Å; Q1040-H1044 WeakPolarHBondContact O-CB 3.23Å; Q1040-H1044 PolarHBondContact O-N 3.14Å
1041L77Confident76Confident27 Ų2777.3 Ų77.314%0.14139%0.386CS..Hα-helixtrans-56.3-52.2177.7-177.159000112.4I1035 S1037 E1038 S1043 H1044 L1045 L1076I1035-L1041 HydrophobicContact CD1-CD1 3.81Å; I1035-L1041 HydrophobicContact CG2-CB 3.76Å; I1035-L1041 HydrophobicContact CG2-CD1 4.32Å; S1037-L1041 PolarHBondContact O-N 2.97Å; E1038-L1041 WeakPolarHBondContact O-CB 3.48Å; E1038-L1041 PolarHBondContact O-N 3.04Å; L1041-S1043 VanDerWaalsContact C-N 3.34Å; L1041-S1043 PolarHBondContact O-N 3.4Å; L1041-H1044 WeakPolarHBondContact O-CB 3.49Å; L1041-H1044 PolarHBondContact O-N 3.16Å; L1041-H1044 VanDerWaalsContact O-N 3.14Å; L1041-L1045 HydrophobicContact CD1-CD1 4.07Å; L1041-L1045 HydrophobicContact CD1-CG 4.22Å; L1041-L1045 HydrophobicContact CG-CD1 4.16Å; L1041-L1045 WeakPolarHBondContact O-CG 3.32Å; L1041-L1045 PolarHBondContact O-N 3.11Å; L1041-L1076 HydrophobicContact CD1-CD1 3.77Å; L1041-L1076 HydrophobicContact CD1-CD2 3.52Å; L1041-L1076 HydrophobicContact CD1-CG 4.32Å
1042K71.6Confident75.8Confident129 Ų12980.8 Ų80.856%0.56140%0.404SS*.Hα-helixtrans-62-40.5177.3-77169.9176.31580111.8E1038 Q1040 H1044 H1046E1038-K1042 PolarHBondContact O-N 3.21Å; Q1040-K1042 PolarHBondContact O-N 3.41Å; K1042-H1044 VanDerWaalsContact C-N 3.3Å; K1042-H1044 PolarHBondContact O-N 3.24Å; K1042-H1046 PolarHBondContact O-N 2.84Å
1043S74.4Confident76.1Confident77 Ų7774.3 Ų74.354%0.53838%0.376SS..Hα-helixtrans-68.1-28.7175.478.80000113.6V1039 Q1040 L1041 G1047V1039-S1043 WeakPolarHBondContact O-CB 3.06Å; V1039-S1043 PolarHBondContact O-N 2.95Å; V1039-S1043 PolarHBondContact O-OG 2.96Å; Q1040-S1043 WeakPolarHBondContact CA-OG 3.41Å; Q1040-S1043 CarbonylContact O-C 3.32Å; Q1040-S1043 PolarHBondContact O-N 3.46Å; Q1040-S1043 PolarHBondContact O-OG 3.29Å; L1041-S1043 VanDerWaalsContact C-N 3.34Å; L1041-S1043 PolarHBondContact O-N 3.4Å; S1043-G1047 PolarHBondContact O-N 3.34Å
1044H84.4Confident76.3Confident23 Ų2373.3 Ų73.311%0.10637%0.369CS..Hα-helixtrans-75-49.4179.9-179.272.8000111.1C1028 C1031 I1035 Q1040 L1041 K1042 H1046 G1047 H1050C1028-H1044 VanDerWaalsContact CB-NE2 3.27Å; C1028-H1044 WeakPolarHBondContact CB-NE2 3.28Å; C1028-H1044 PolarHBondContact SG-NE2 3.42Å; C1031-H1044 WeakPolarHBondContact CB-CE1 3.46Å; C1031-H1044 WeakPolarHBondContact CB-NE2 3.35Å; C1031-H1044 VanDerWaalsContact SG-CE1 3.6Å; I1035-H1044 HydrophobicContact CD1-CB 4.22Å; Q1040-H1044 WeakPolarHBondContact O-CB 3.23Å; Q1040-H1044 PolarHBondContact O-N 3.14Å; L1041-H1044 WeakPolarHBondContact O-CB 3.49Å; L1041-H1044 PolarHBondContact O-N 3.16Å; L1041-H1044 VanDerWaalsContact O-N 3.14Å; K1042-H1044 VanDerWaalsContact C-N 3.3Å; K1042-H1044 PolarHBondContact O-N 3.24Å; H1044-H1046 VanDerWaalsContact C-N 3.29Å; H1044-H1046 PolarHBondContact O-N 3.06Å; H1044-G1047 WeakPolarHBondContact O-CA 3.44Å; H1044-G1047 PolarHBondContact O-N 3.29Å; H1044-H1050 AromaticContact NE2-ND1 3.72Å; H1044-H1050 VanDerWaalsContact O-CB 3.29Å; H1044-H1050 WeakPolarHBondContact O-CB 3.45Å
1045L80Confident76.1Confident41 Ų4174.1 Ų74.122%0.21537%0.373CS..Hα-helixtrans-63.8-32.5178.8-65.2174.1000112.6L1041 G1047 H1050 N1072 L1076L1041-L1045 HydrophobicContact CD1-CD1 4.07Å; L1041-L1045 HydrophobicContact CD1-CG 4.22Å; L1041-L1045 HydrophobicContact CG-CD1 4.16Å; L1041-L1045 WeakPolarHBondContact O-CG 3.32Å; L1041-L1045 PolarHBondContact O-N 3.11Å; L1045-G1047 VanDerWaalsContact C-N 3.32Å; L1045-H1050 WeakPolarHBondContact CD2-NE2 3.38Å; L1045-N1072 HydrophobicContact CD2-CB 4.21Å; L1045-L1076 HydrophobicContact CD2-CD1 4.38Å
1046H75.9Confident76.2Confident156 Ų15681.2 Ų81.272%0.72241%0.406SS*.THydrogen-bonded Turntrans-83-2.6169.9-89.270000114.2K1042 H1044K1042-H1046 PolarHBondContact O-N 2.84Å; H1044-H1046 VanDerWaalsContact C-N 3.29Å; H1044-H1046 PolarHBondContact O-N 3.06Å
1047G78.1Confident76.7Confident24 Ų2479.5 Ų79.525%0.24741%0.407CS..SBendtrans-78.1140-17800000112.4S1043 H1044 L1045 R1049 H1050 Q1051S1043-G1047 PolarHBondContact O-N 3.34Å; H1044-G1047 WeakPolarHBondContact O-CA 3.44Å; H1044-G1047 PolarHBondContact O-N 3.29Å; L1045-G1047 VanDerWaalsContact C-N 3.32Å; G1047-R1049 PolarHBondContact O-N 3.05Å; G1047-H1050 PolarHBondContact O-N 3.46Å; G1047-Q1051 PolarHBondContact O-N 3.37Å; G1047-Q1051 VanDerWaalsContact O-N 3.11Å
1048K79.4Confident77.2Confident166 Ų16678.1 Ų78.172%0.72240%0.399SS*.Hα-helixtrans-53.3-30.1179.6-77-166.6172.2-168.70114.7N1052K1048-N1052 VanDerWaalsContact O-CB 3.31Å; K1048-N1052 WeakPolarHBondContact O-CB 3.26Å; K1048-N1052 PolarHBondContact O-N 3.12Å; K1048-N1052 PolarHBondContact O-OD1 2.83Å; K1048-N1052 VanDerWaalsContact O-OD1 3.06Å
1049R77.8Confident77.5Confident188 Ų18883 Ų8371%0.70942%0.422SS*.Hα-helixtrans-61.5-45.9173.8-84.8-171.6176.1177.2-2.9112G1047 N1052 A1053G1047-R1049 PolarHBondContact O-N 3.05Å; R1049-N1052 PolarHBondContact O-N 3.26Å; R1049-A1053 PolarHBondContact O-N 3.29Å
1050H84.7Confident77.5Confident0 Ų083.6 Ų83.60%042%0.421CS..Hα-helixtrans-70.2-43.1-178.9-162.972.6000111.1C1031 H1044 L1045 G1047 N1052 A1053 I1054 N1072C1031-H1050 WeakPolarHBondContact SG-CA 3.47Å; C1031-H1050 PolarHBondContact SG-ND1 3.45Å; C1031-H1050 VanDerWaalsContact SG-ND1 3.44Å; H1044-H1050 AromaticContact NE2-ND1 3.72Å; H1044-H1050 VanDerWaalsContact O-CB 3.29Å; H1044-H1050 WeakPolarHBondContact O-CB 3.45Å; L1045-H1050 WeakPolarHBondContact CD2-NE2 3.38Å; G1047-H1050 PolarHBondContact O-N 3.46Å; H1050-N1052 VanDerWaalsContact C-N 3.3Å; H1050-N1052 PolarHBondContact O-N 2.98Å; H1050-A1053 PolarHBondContact O-N 2.96Å; H1050-I1054 VanDerWaalsContact CD2-CD1 3.5Å; H1050-I1054 WeakPolarHBondContact CD2-CD1 3.39Å; H1050-I1054 WeakPolarHBondContact O-CD1 3.46Å; H1050-I1054 VanDerWaalsContact O-CG1 3.3Å; H1050-I1054 WeakPolarHBondContact O-CG1 3.41Å; H1050-I1054 PolarHBondContact O-N 2.75Å; H1050-N1072 PolarHBondContact NE2-OD1 3.16Å
1051Q80.7Confident77.9Confident88 Ų8888.2 Ų88.241%0.41144%0.435SS..Hα-helixtrans-58.6-38.3172.7-65.8177.1-27.500112.8G1047 M1055G1047-Q1051 PolarHBondContact O-N 3.37Å; G1047-Q1051 VanDerWaalsContact O-N 3.11Å; Q1051-M1055 WeakPolarHBondContact O-CB 3.46Å; Q1051-M1055 PolarHBondContact O-N 2.84Å; Q1051-M1055 VanDerWaalsContact O-N 3.12Å
1052N78.7Confident77.5Confident92 Ų9292.6 Ų92.649%0.49247%0.465SS..Hα-helixtrans-68.2-44.2174-74.816.8000111.9K1048 R1049 H1050 I1054 M1055 E1056K1048-N1052 VanDerWaalsContact O-CB 3.31Å; K1048-N1052 WeakPolarHBondContact O-CB 3.26Å; K1048-N1052 PolarHBondContact O-N 3.12Å; K1048-N1052 PolarHBondContact O-OD1 2.83Å; K1048-N1052 VanDerWaalsContact O-OD1 3.06Å; R1049-N1052 PolarHBondContact O-N 3.26Å; H1050-N1052 VanDerWaalsContact C-N 3.3Å; H1050-N1052 PolarHBondContact O-N 2.98Å; N1052-I1054 VanDerWaalsContact C-N 3.3Å; N1052-I1054 PolarHBondContact O-N 3.27Å; N1052-M1055 WeakPolarHBondContact O-CB 3.3Å; N1052-M1055 PolarHBondContact O-N 2.7Å; N1052-M1055 VanDerWaalsContact O-N 3.09Å; N1052-E1056 WeakPolarHBondContact O-CB 3.24Å; N1052-E1056 PolarHBondContact O-N 2.98Å
1053A82.5Confident77.5Confident16 Ų1688.8 Ų88.813%0.13245%0.453CS..Hα-helixtrans-61.6-37.1178.200000112.4A1030 R1049 H1050 A1057 F1071A1030-A1053 HydrophobicContact CB-CB 4.28Å; R1049-A1053 PolarHBondContact O-N 3.29Å; H1050-A1053 PolarHBondContact O-N 2.96Å; A1053-A1057 WeakPolarHBondContact O-CB 3.23Å; A1053-A1057 PolarHBondContact O-N 3.33Å; A1053-F1071 HydrophobicContact CB-CZ 4.47Å
1054I80.3Confident77.7Confident19 Ų1986.7 Ų86.710%0.09744%0.443CS..Hα-helixtrans-60.3-49.7170.2-67.3155.1000110.7H1050 N1052 E1056 A1057 A1058 V1063 L1068 F1071H1050-I1054 VanDerWaalsContact CD2-CD1 3.5Å; H1050-I1054 WeakPolarHBondContact CD2-CD1 3.39Å; H1050-I1054 WeakPolarHBondContact O-CD1 3.46Å; H1050-I1054 VanDerWaalsContact O-CG1 3.3Å; H1050-I1054 WeakPolarHBondContact O-CG1 3.41Å; H1050-I1054 PolarHBondContact O-N 2.75Å; N1052-I1054 VanDerWaalsContact C-N 3.3Å; N1052-I1054 PolarHBondContact O-N 3.27Å; I1054-E1056 VanDerWaalsContact C-N 3.33Å; I1054-E1056 PolarHBondContact O-N 3.11Å; I1054-A1057 PolarHBondContact O-N 2.94Å; I1054-A1058 VanDerWaalsContact O-CB 3.23Å; I1054-A1058 WeakPolarHBondContact O-CB 3.38Å; I1054-A1058 PolarHBondContact O-N 3.36Å; I1054-V1063 HydrophobicContact CG2-CB 4.39Å; I1054-V1063 HydrophobicContact CG2-CG1 4.45Å; I1054-V1063 HydrophobicContact CG2-CG2 3.92Å; I1054-L1068 HydrophobicContact CD1-CD1 3.33Å; I1054-L1068 HydrophobicContact CG1-CD1 4.02Å; I1054-L1068 HydrophobicContact CG2-CD1 4.18Å; I1054-F1071 HydrophobicContact CB-CD1 4.45Å; I1054-F1071 HydrophobicContact CB-CE1 4.28Å; I1054-F1071 HydrophobicContact CD1-CD1 4.45Å; I1054-F1071 HydrophobicContact CG1-CD1 3.44Å; I1054-F1071 VanDerWaalsContact CG1-CD1 3.44Å; I1054-F1071 HydrophobicContact CG1-CE1 3.41Å; I1054-F1071 VanDerWaalsContact CG1-CE1 3.41Å; I1054-F1071 HydrophobicContact CG1-CG 4.33Å; I1054-F1071 HydrophobicContact CG1-CZ 4.28Å
1055M75.3Confident77.1Confident91 Ų9194.7 Ų94.745%0.44847%0.472SS..Hα-helixtrans-64.5-36.6-177.2-167.5-173-46.200112.6Q1051 N1052 Q1059 N1060Q1051-M1055 WeakPolarHBondContact O-CB 3.46Å; Q1051-M1055 PolarHBondContact O-N 2.84Å; Q1051-M1055 VanDerWaalsContact O-N 3.12Å; N1052-M1055 WeakPolarHBondContact O-CB 3.3Å; N1052-M1055 PolarHBondContact O-N 2.7Å; N1052-M1055 VanDerWaalsContact O-N 3.09Å; M1055-Q1059 PolarHBondContact O-N 2.71Å; M1055-N1060 PolarHBondContact O-N 3.1Å
1056E78.2Confident76.7Confident155 Ų15597.1 Ų97.172%0.72449%0.493SS*.Hα-helixtrans-69.7-49.6176.7-175.8169.5-166.500111.4N1052 I1054 A1058 Q1059N1052-E1056 WeakPolarHBondContact O-CB 3.24Å; N1052-E1056 PolarHBondContact O-N 2.98Å; I1054-E1056 VanDerWaalsContact C-N 3.33Å; I1054-E1056 PolarHBondContact O-N 3.11Å; E1056-A1058 PolarHBondContact O-N 3.17Å; E1056-Q1059 PolarHBondContact O-N 3.18Å
1057A77.9Confident76.8Confident63 Ų6394.1 Ų94.152%0.52148%0.479SS..Hα-helixtrans-60.7-31.717500000112.9A1053 I1054 Q1059 F1071A1053-A1057 WeakPolarHBondContact O-CB 3.23Å; A1053-A1057 PolarHBondContact O-N 3.33Å; I1054-A1057 PolarHBondContact O-N 2.94Å; A1057-Q1059 VanDerWaalsContact C-N 3.32Å; A1057-F1071 HydrophobicContact CB-CD2 4.22Å; A1057-F1071 HydrophobicContact CB-CE2 3.42Å; A1057-F1071 VanDerWaalsContact CB-CE2 3.42Å; A1057-F1071 HydrophobicContact CB-CZ 4.1Å
1058A76.3Confident76.6Confident25 Ų2595.9 Ų95.921%0.20748%0.483CS..THydrogen-bonded Turntrans-84.12.5175.500000114.6I1054 E1056 N1060 R1061 V1063I1054-A1058 VanDerWaalsContact O-CB 3.23Å; I1054-A1058 WeakPolarHBondContact O-CB 3.38Å; I1054-A1058 PolarHBondContact O-N 3.36Å; E1056-A1058 PolarHBondContact O-N 3.17Å; A1058-N1060 PolarHBondContact O-N 2.78Å; A1058-R1061 WeakPolarHBondContact O-CB 3.42Å; A1058-R1061 PolarHBondContact O-N 2.85Å; A1058-V1063 HydrophobicContact CB-CG2 3.24Å
1059Q77.6Confident76.3Confident172 Ų17292.2 Ų92.280%0.80447%0.468SS*.THydrogen-bonded Turntrans54.535.8-177.8-53.8-179.41.300113.2M1055 E1056 A1057 R1061M1055-Q1059 PolarHBondContact O-N 2.71Å; E1056-Q1059 PolarHBondContact O-N 3.18Å; A1057-Q1059 VanDerWaalsContact C-N 3.32Å; Q1059-R1061 PolarHBondContact O-N 3.4Å
1060N67.4Low76.4Confident127 Ų12786 Ų8668%0.67946%0.457SS*.THydrogen-bonded Turntrans65.39.3-173.3-49.2-86.9000115.9M1055 A1058M1055-N1060 PolarHBondContact O-N 3.1Å; A1058-N1060 PolarHBondContact O-N 2.78Å
1061R77.6Confident76.2Confident173 Ų17387.5 Ų87.565%0.65346%0.463SS*.PPolyproline II helixtrans-67.1141.5168.8-174.4180171-165.1-6.7110.1A1058 Q1059 V1063A1058-R1061 WeakPolarHBondContact O-CB 3.42Å; A1058-R1061 PolarHBondContact O-N 2.85Å; Q1059-R1061 PolarHBondContact O-N 3.4Å; R1061-V1063 PolarHBondContact O-N 2.85Å
1062P68.7Low76.3Confident120 Ų12084.5 Ų84.578%0.77945%0.45SS*.PPolyproline II helixtrans-60.8117.8168.8-22.734.1000110.9
1063V71.8Confident76Confident49 Ų4986.4 Ų86.430%0.29746%0.46SS..PPolyproline II helixtrans-83.5130.4-176.9-175.20000110.3I1054 A1058 R1061 E1067 L1068I1054-V1063 HydrophobicContact CG2-CB 4.39Å; I1054-V1063 HydrophobicContact CG2-CG1 4.45Å; I1054-V1063 HydrophobicContact CG2-CG2 3.92Å; A1058-V1063 HydrophobicContact CB-CG2 3.24Å; R1061-V1063 PolarHBondContact O-N 2.85Å; V1063-E1067 HydrophobicContact CG1-CB 3.52Å; V1063-L1068 HydrophobicContact CG1-CB 4.07Å
1064G78.9Confident75.8Confident33 Ų3389.3 Ų89.334%0.3448%0.479SS..PPolyproline II helixtrans-68156174.500000112.5S1066 E1067 L1068G1064-S1066 VanDerWaalsContact C-N 3.26Å; G1064-S1066 PolarHBondContact O-N 2.79Å; G1064-E1067 PolarHBondContact N-OE2 3.36Å; G1064-E1067 PolarHBondContact O-N 2.77Å; G1064-E1067 VanDerWaalsContact O-N 3.13Å; G1064-L1068 WeakPolarHBondContact O-CB 3.5Å; G1064-L1068 PolarHBondContact O-N 3.23Å
1065R71.6Confident75.7Confident190 Ų19090.8 Ų90.872%0.71749%0.486SS*.Hα-helixtrans-55-42.2-179.3-163.2-172.7-145.3-97.313.8112.5L1068 E1069R1065-L1068 WeakPolarHBondContact O-CB 3.29Å; R1065-L1068 PolarHBondContact O-N 3.12Å; R1065-E1069 IonicContact CZ-OE1 3.62Å; R1065-E1069 IonicContact NH1-OE1 2.82Å; R1065-E1069 PolarHBondContact NH1-OE1 2.95Å; R1065-E1069 PolarHBondContact O-N 2.81Å
1066S72.3Confident75.8Confident93 Ų9388 Ų8865%0.6547%0.472SS*.Hα-helixtrans-71.3-37.4179.1-37.40000112.8G1064 L1068 E1069 A1070G1064-S1066 VanDerWaalsContact C-N 3.26Å; G1064-S1066 PolarHBondContact O-N 2.79Å; S1066-L1068 VanDerWaalsContact C-N 3.34Å; S1066-E1069 PolarHBondContact O-N 2.65Å; S1066-A1070 VanDerWaalsContact O-CB 3.3Å; S1066-A1070 WeakPolarHBondContact O-CB 3.4Å; S1066-A1070 PolarHBondContact O-N 3.08Å
1067E77.3Confident75.7Confident92 Ų9284 Ų8443%0.4346%0.458SS..Hα-helixtrans-64.4-40.5173.4-66.7175.6139.600110.7V1063 G1064 A1070 F1071V1063-E1067 HydrophobicContact CG1-CB 3.52Å; G1064-E1067 PolarHBondContact N-OE2 3.36Å; G1064-E1067 PolarHBondContact O-N 2.77Å; G1064-E1067 VanDerWaalsContact O-N 3.13Å; E1067-A1070 PolarHBondContact O-N 3.45Å; E1067-F1071 WeakPolarHBondContact O-CB 3.07Å; E1067-F1071 PolarHBondContact O-N 3.17Å
1068L73.9Confident75.7Confident61 Ų6184.3 Ų84.332%0.31945%0.451SS..Hα-helixtrans-63.9-46.1175.8170.961.7000111.9I1054 V1063 G1064 R1065 S1066 F1071 N1072I1054-L1068 HydrophobicContact CD1-CD1 3.33Å; I1054-L1068 HydrophobicContact CG1-CD1 4.02Å; I1054-L1068 HydrophobicContact CG2-CD1 4.18Å; V1063-L1068 HydrophobicContact CG1-CB 4.07Å; G1064-L1068 WeakPolarHBondContact O-CB 3.5Å; G1064-L1068 PolarHBondContact O-N 3.23Å; R1065-L1068 WeakPolarHBondContact O-CB 3.29Å; R1065-L1068 PolarHBondContact O-N 3.12Å; S1066-L1068 VanDerWaalsContact C-N 3.34Å; L1068-F1071 PolarHBondContact O-N 3.36Å; L1068-N1072 WeakPolarHBondContact O-CB 3.34Å; L1068-N1072 PolarHBondContact O-N 3.17Å; L1068-N1072 PolarHBondContact O-ND2 3.1Å; L1068-N1072 VanDerWaalsContact O-ND2 3.08Å; L1068-N1072 PolarHBondContact O-OD1 2.84Å
1069E73.7Confident75.3Confident90 Ų9084.4 Ų84.442%0.42145%0.452SS..Hα-helixtrans-65-41.4176.5-75.8168.1-171.700111.3R1065 S1066 N1072 L1073R1065-E1069 IonicContact CZ-OE1 3.62Å; R1065-E1069 IonicContact NH1-OE1 2.82Å; R1065-E1069 PolarHBondContact NH1-OE1 2.95Å; R1065-E1069 PolarHBondContact O-N 2.81Å; S1066-E1069 PolarHBondContact O-N 2.65Å; E1069-N1072 PolarHBondContact O-N 2.89Å; E1069-L1073 VanDerWaalsContact O-CG 3.3Å; E1069-L1073 WeakPolarHBondContact O-CG 3.32Å; E1069-L1073 PolarHBondContact O-N 2.74Å
1070A78.6Confident74.7Confident58 Ų5881.1 Ų81.148%0.47945%0.445SS..Hα-helixtrans-63.1-40.9173.900000113.2S1066 E1067 L1073 S1074S1066-A1070 VanDerWaalsContact O-CB 3.3Å; S1066-A1070 WeakPolarHBondContact O-CB 3.4Å; S1066-A1070 PolarHBondContact O-N 3.08Å; E1067-A1070 PolarHBondContact O-N 3.45Å; A1070-L1073 PolarHBondContact O-N 2.65Å; A1070-S1074 WeakPolarHBondContact O-CB 3.46Å; A1070-S1074 PolarHBondContact O-N 2.91Å; A1070-S1074 PolarHBondContact O-OG 2.86Å
1071F82.1Confident74.1Confident30 Ų3082.9 Ų82.913%0.13246%0.455CS..Hα-helixtrans-64.4-40.8174.7-178.5-87.5000112.1A1030 A1053 I1054 A1057 E1067 L1068 S1074 H1075A1030-F1071 HydrophobicContact CB-CE1 4.12Å; A1030-F1071 HydrophobicContact CB-CZ 3.91Å; A1053-F1071 HydrophobicContact CB-CZ 4.47Å; I1054-F1071 HydrophobicContact CB-CD1 4.45Å; I1054-F1071 HydrophobicContact CB-CE1 4.28Å; I1054-F1071 HydrophobicContact CD1-CD1 4.45Å; I1054-F1071 HydrophobicContact CG1-CD1 3.44Å; I1054-F1071 VanDerWaalsContact CG1-CD1 3.44Å; I1054-F1071 HydrophobicContact CG1-CE1 3.41Å; I1054-F1071 VanDerWaalsContact CG1-CE1 3.41Å; I1054-F1071 HydrophobicContact CG1-CG 4.33Å; I1054-F1071 HydrophobicContact CG1-CZ 4.28Å; A1057-F1071 HydrophobicContact CB-CD2 4.22Å; A1057-F1071 HydrophobicContact CB-CE2 3.42Å; A1057-F1071 VanDerWaalsContact CB-CE2 3.42Å; A1057-F1071 HydrophobicContact CB-CZ 4.1Å; E1067-F1071 WeakPolarHBondContact O-CB 3.07Å; E1067-F1071 PolarHBondContact O-N 3.17Å; L1068-F1071 PolarHBondContact O-N 3.36Å; F1071-S1074 PolarHBondContact O-OG 3.24Å; F1071-H1075 AromaticContact CD1-CD2 3.91Å; F1071-H1075 AromaticContact CD2-CD2 3.61Å; F1071-H1075 AromaticContact CD2-NE2 3.66Å; F1071-H1075 AromaticContact CE1-CD2 3.69Å; F1071-H1075 AromaticContact CE2-CD2 3.37Å; F1071-H1075 WeakPolarHBondContact CE2-CD2 3.48Å; F1071-H1075 AromaticContact CE2-NE2 3.26Å; F1071-H1075 VanDerWaalsContact CE2-NE2 3.26Å; F1071-H1075 WeakPolarHBondContact CE2-NE2 3.39Å; F1071-H1075 AromaticContact CG-CD2 3.89Å; F1071-H1075 AromaticContact CZ-CD2 3.43Å; F1071-H1075 VanDerWaalsContact CZ-CD2 3.43Å; F1071-H1075 WeakPolarHBondContact CZ-CD2 3.33Å; F1071-H1075 AromaticContact CZ-NE2 3.7Å; F1071-H1075 PolarHBondContact O-CD2 3.19Å; F1071-H1075 VanDerWaalsContact O-CD2 3.25Å; F1071-H1075 PolarHBondContact O-N 3.28Å
1072N82Confident72.5Confident25 Ų2580.5 Ų80.513%0.13445%0.451CS..Hα-helixtrans-63.1-45.8176.2-65.9-26.4000110.9L1045 H1050 L1068 E1069 L1076L1045-N1072 HydrophobicContact CD2-CB 4.21Å; H1050-N1072 PolarHBondContact NE2-OD1 3.16Å; L1068-N1072 WeakPolarHBondContact O-CB 3.34Å; L1068-N1072 PolarHBondContact O-N 3.17Å; L1068-N1072 PolarHBondContact O-ND2 3.1Å; L1068-N1072 VanDerWaalsContact O-ND2 3.08Å; L1068-N1072 PolarHBondContact O-OD1 2.84Å; E1069-N1072 PolarHBondContact O-N 2.89Å; N1072-L1076 WeakPolarHBondContact O-CB 3.39Å; N1072-L1076 WeakPolarHBondContact O-CD1 3.31Å; N1072-L1076 WeakPolarHBondContact O-CG 3.48Å; N1072-L1076 PolarHBondContact O-N 3.35Å
1073L73.2Confident71.6Confident132 Ų13280.9 Ų80.969%0.69145%0.446SS*.Hα-helixtrans-68.5-43.4-178.9-69.7167.7000112.6E1069 A1070 H1075 L1076E1069-L1073 VanDerWaalsContact O-CG 3.3Å; E1069-L1073 WeakPolarHBondContact O-CG 3.32Å; E1069-L1073 PolarHBondContact O-N 2.74Å; A1070-L1073 PolarHBondContact O-N 2.65Å; L1073-H1075 PolarHBondContact O-N 3.27Å; L1073-L1076 PolarHBondContact O-N 3.48Å
1074S77.4Confident70.3Confident78 Ų7884.3 Ų84.355%0.54547%0.469SS..Hα-helixtrans-68.4-19.5-178.469.20000114.1A1070 F1071A1070-S1074 WeakPolarHBondContact O-CB 3.46Å; A1070-S1074 PolarHBondContact O-N 2.91Å; A1070-S1074 PolarHBondContact O-OG 2.86Å; F1071-S1074 PolarHBondContact O-OG 3.24Å
1075H77.7Confident68.7Low49 Ų4990.6 Ų90.623%0.22749%0.49CS..Hα-helixtrans-103.8-8.6178.9-69.1-47.2000114.9W1027 C1028 K1029 A1030 F1071 L1073 V1077W1027-H1075 VanDerWaalsContact O-O 3.11Å; C1028-H1075 CarbonylContact C-O 3.58Å; C1028-H1075 WeakPolarHBondContact CA-O 3.34Å; K1029-H1075 HydrophobicContact CB-CB 4.48Å; K1029-H1075 PolarHBondContact N-O 2.72Å; A1030-H1075 HydrophobicContact CB-CB 3.93Å; F1071-H1075 AromaticContact CD1-CD2 3.91Å; F1071-H1075 AromaticContact CD2-CD2 3.61Å; F1071-H1075 AromaticContact CD2-NE2 3.66Å; F1071-H1075 AromaticContact CE1-CD2 3.69Å; F1071-H1075 AromaticContact CE2-CD2 3.37Å; F1071-H1075 WeakPolarHBondContact CE2-CD2 3.48Å; F1071-H1075 AromaticContact CE2-NE2 3.26Å; F1071-H1075 VanDerWaalsContact CE2-NE2 3.26Å; F1071-H1075 WeakPolarHBondContact CE2-NE2 3.39Å; F1071-H1075 AromaticContact CG-CD2 3.89Å; F1071-H1075 AromaticContact CZ-CD2 3.43Å; F1071-H1075 VanDerWaalsContact CZ-CD2 3.43Å; F1071-H1075 WeakPolarHBondContact CZ-CD2 3.33Å; F1071-H1075 AromaticContact CZ-NE2 3.7Å; F1071-H1075 PolarHBondContact O-CD2 3.19Å; F1071-H1075 VanDerWaalsContact O-CD2 3.25Å; F1071-H1075 PolarHBondContact O-N 3.28Å; L1073-H1075 PolarHBondContact O-N 3.27Å; H1075-V1077 PolarHBondContact O-N 2.86Å
1076L77.9Confident67.7Low33 Ų3384.7 Ų84.717%0.17348%0.477CS..EExtended strand (participates in β ladder)trans-90.876175.1-73.8168.2000111.4C1028 I1035 L1041 L1045 N1072 L1073C1028-L1076 HydrophobicContact CB-CD2 4.2Å; I1035-L1076 HydrophobicContact CD1-CD2 3.81Å; L1041-L1076 HydrophobicContact CD1-CD1 3.77Å; L1041-L1076 HydrophobicContact CD1-CD2 3.52Å; L1041-L1076 HydrophobicContact CD1-CG 4.32Å; L1045-L1076 HydrophobicContact CD2-CD1 4.38Å; N1072-L1076 WeakPolarHBondContact O-CB 3.39Å; N1072-L1076 WeakPolarHBondContact O-CD1 3.31Å; N1072-L1076 WeakPolarHBondContact O-CG 3.48Å; N1072-L1076 PolarHBondContact O-N 3.35Å; L1073-L1076 PolarHBondContact O-N 3.48Å
1077V76.6Confident66.4Low70 Ų7087.3 Ų87.342%0.42448%0.479SS..EExtended strand (participates in β ladder)trans-81.1157.9178.1-166.10000109.7K1026 W1027 K1029 H1075K1026-V1077 CarbonylContact C-O 3.58Å; K1026-V1077 WeakPolarHBondContact CA-O 3.04Å; W1027-V1077 PolarHBondContact N-O 3.08Å; W1027-V1077 PolarHBondContact O-N 3.04Å; W1027-V1077 VanDerWaalsContact O-N 3.07Å; K1029-V1077 HydrophobicContact CB-CG2 4.33Å; K1029-V1077 HydrophobicContact CD-CG2 4.42Å; H1075-V1077 PolarHBondContact O-N 2.86Å
1078D77.6Confident65.2Low71 Ų7188.1 Ų88.138%0.3848%0.483SS..EExtended strand (participates in β ladder)trans-68.6145166.2-73.1-62.3000111.6V1024 K1026 P1080V1024-D1078 WeakPolarHBondContact CB-OD1 3.5Å; V1024-D1078 HydrophobicContact CG1-CB 3.83Å; V1024-D1078 WeakPolarHBondContact CG1-OD1 3.4Å; K1026-D1078 WeakPolarHBondContact CD-OD1 2.95Å; K1026-D1078 WeakPolarHBondContact CE-OD1 3.37Å; K1026-D1078 IonicContact NZ-OD1 2.74Å; K1026-D1078 PolarHBondContact NZ-OD1 2.89Å; K1026-D1078 IonicContact NZ-OD2 3.21Å; K1026-D1078 PolarHBondContact NZ-OD2 3.03Å; D1078-P1080 WeakPolarHBondContact O-CD 3.45Å
1079A67.9Low64.2Low26 Ų2689.6 Ų89.622%0.21549%0.491CS..PPolyproline II helixtrans-71.5127.2-178.700000111.3Q1025 W1027Q1025-A1079 HydrophobicContact CB-CB 4.39Å; Q1025-A1079 VanDerWaalsContact O-CB 3.3Å; Q1025-A1079 WeakPolarHBondContact O-CB 3.28Å; Q1025-A1079 PolarHBondContact O-N 3.27Å; W1027-A1079 HydrophobicContact CB-CB 4.44Å
1080P65.3Low63.5Low103 Ų10388 Ų8867%0.66949%0.487SS*.PPolyproline II helixtrans-61.6140172.7-22.834.2000111.8D1078 E1082D1078-P1080 WeakPolarHBondContact O-CD 3.45Å; P1080-E1082 PolarHBondContact O-N 3.01Å
1081N54.6Low62.5Low165 Ų16590.2 Ų90.288%0.88249%0.488SS*.SBendtrans-68.6-17.7-176.1-79.9-31.6000114.4
1082E44.6Very low61.9Low123 Ų12392.4 Ų92.458%0.57550%0.499SS*.  trans-106.179.3-176.4-61.7-164.8155.500111.9P1080 I1519P1080-E1082 PolarHBondContact O-N 3.01Å; E1082-I1519 WeakPolarHBondContact OE1-CD1 3.34Å
1083L48.7Very low61.2Low128 Ų12897.3 Ų97.367%0.6752%0.521SS*.  trans-137.596.6168.6-149.779.3000111.6H1085L1083-H1085 PolarHBondContact O-N 3.47Å
1084P45.8Very low61Low121 Ų12198.5 Ų98.579%0.78652%0.516SS*.  trans-59.2134.3-180-24.934.7000112.5S1086P1084-S1086 PolarHBondContact O-N 3.44Å; P1084-S1086 VanDerWaalsContact O-N 3.16Å
1085H44.6Very low60.8Low165 Ų16598.4 Ų98.476%0.76451%0.509SS*.  trans-67.8112.7174.2-72.11000110.6L1083 Q1087L1083-H1085 PolarHBondContact O-N 3.47Å; H1085-Q1087 PolarHBondContact O-N 3.31Å; H1085-Q1087 VanDerWaalsContact O-N 3.07Å
1086S49.9Very low60.9Low65 Ų65100.5 Ų100.546%0.45552%0.517SS..  trans-58.8113.3177.3-1780000111.1P1084 H1088 D1089P1084-S1086 PolarHBondContact O-N 3.44Å; P1084-S1086 VanDerWaalsContact O-N 3.16Å; S1086-H1088 PolarHBondContact O-N 3.4Å; S1086-H1088 VanDerWaalsContact O-N 3.13Å; S1086-D1089 PolarHBondContact O-N 3.02Å
1087Q45.8Very low60.9Low148 Ų148104.3 Ų104.369%0.69254%0.537SS*.Hα-helixtrans-56.6-32.8-179.7-67.3-172.4-4.300112H1085 D1089 T1090 Q1091H1085-Q1087 PolarHBondContact O-N 3.31Å; H1085-Q1087 VanDerWaalsContact O-N 3.07Å; Q1087-D1089 VanDerWaalsContact C-N 3.31Å; Q1087-D1089 PolarHBondContact O-N 2.92Å; Q1087-T1090 PolarHBondContact O-N 3.06Å; Q1087-T1090 VanDerWaalsContact O-N 3.15Å; Q1087-T1090 PolarHBondContact O-OG1 2.69Å; Q1087-Q1091 PolarHBondContact O-N 2.83Å
1088H51Low60.9Low110 Ų110103.3 Ų103.351%0.50953%0.526SS..Hα-helixtrans-57-39.9176.9171.8-101.4000112.6S1086 Q1091 Q1092S1086-H1088 PolarHBondContact O-N 3.4Å; S1086-H1088 VanDerWaalsContact O-N 3.13Å; H1088-Q1091 PolarHBondContact O-N 2.92Å; H1088-Q1092 PolarHBondContact CE1-NE2 2.98Å; H1088-Q1092 WeakPolarHBondContact O-CB 3.44Å; H1088-Q1092 PolarHBondContact O-N 2.75Å
1089D52.9Low61.1Low91 Ų91108 Ų10849%0.48754%0.538SS..Hα-helixtrans-69.3-36.7178.1-73.7-44.4000111.9S1086 Q1087 Q1091 Q1092 E1093S1086-D1089 PolarHBondContact O-N 3.02Å; Q1087-D1089 VanDerWaalsContact C-N 3.31Å; Q1087-D1089 PolarHBondContact O-N 2.92Å; D1089-Q1091 VanDerWaalsContact C-N 3.32Å; D1089-Q1091 PolarHBondContact O-N 2.62Å; D1089-Q1092 PolarHBondContact O-N 2.58Å; D1089-E1093 WeakPolarHBondContact O-CB 3.16Å; D1089-E1093 PolarHBondContact O-N 2.69Å
1090T59Low61.9Low57 Ų57112.8 Ų112.835%0.3555%0.554SS.*Hα-helixtrans-65.1-35.3173.982.20000112Q1087 R1094Q1087-T1090 PolarHBondContact O-N 3.06Å; Q1087-T1090 VanDerWaalsContact O-N 3.15Å; Q1087-T1090 PolarHBondContact O-OG1 2.69Å; T1090-R1094 WeakPolarHBondContact O-CB 3.38Å; T1090-R1094 VanDerWaalsContact O-CG 3.31Å; T1090-R1094 WeakPolarHBondContact O-CG 3.16Å; T1090-R1094 PolarHBondContact O-N 2.87Å; T1090-R1094 PolarHBondContact O-NE 3.49Å; T1090-R1094 VanDerWaalsContact O-NE 3.15Å; T1090-R1094 PolarHBondContact OG1-NH2 3.49Å
1091Q58.9Low62.9Low104 Ų104111.8 Ų111.849%0.48654%0.537SS..Hα-helixtrans-71.7-44.2174.2-71.2-178-5.100110.6Q1087 H1088 D1089 E1093 R1094 L1095Q1087-Q1091 PolarHBondContact O-N 2.83Å; H1088-Q1091 PolarHBondContact O-N 2.92Å; D1089-Q1091 VanDerWaalsContact C-N 3.32Å; D1089-Q1091 PolarHBondContact O-N 2.62Å; Q1091-E1093 VanDerWaalsContact C-N 3.29Å; Q1091-E1093 PolarHBondContact O-N 3.28Å; Q1091-R1094 PolarHBondContact O-N 3.31Å; Q1091-L1095 WeakPolarHBondContact O-CG 3.26Å; Q1091-L1095 PolarHBondContact O-N 2.91Å
1092Q68.4Low64.4Low77 Ų77104.5 Ų104.536%0.3650%0.5SS..Hα-helixtrans-65.3-33.6178.5-153-167.29600111.5H1088 D1089 K1096H1088-Q1092 PolarHBondContact CE1-NE2 2.98Å; H1088-Q1092 WeakPolarHBondContact O-CB 3.44Å; H1088-Q1092 PolarHBondContact O-N 2.75Å; D1089-Q1092 PolarHBondContact O-N 2.58Å; Q1092-K1096 WeakPolarHBondContact O-CB 2.77Å; Q1092-K1096 WeakPolarHBondContact O-CD 3.16Å; Q1092-K1096 WeakPolarHBondContact O-CG 3.1Å; Q1092-K1096 PolarHBondContact O-N 2.99Å
1093E68.5Low66.6Low127 Ų127108 Ų10859%0.59351%0.508SS*.Hα-helixtrans-67.7-47.1169.3179.9147.5-130.900112.6D1089 Q1091 L1095 K1096 L1097D1089-E1093 WeakPolarHBondContact O-CB 3.16Å; D1089-E1093 PolarHBondContact O-N 2.69Å; Q1091-E1093 VanDerWaalsContact C-N 3.29Å; Q1091-E1093 PolarHBondContact O-N 3.28Å; E1093-L1095 PolarHBondContact O-N 3.39Å; E1093-K1096 CarbonylContact O-C 3.18Å; E1093-K1096 WeakPolarHBondContact O-CA 3.28Å; E1093-K1096 WeakPolarHBondContact O-CB 3.38Å; E1093-K1096 PolarHBondContact O-N 3.09Å; E1093-L1097 WeakPolarHBondContact O-CB 3.46Å; E1093-L1097 PolarHBondContact O-N 3.4Å
1094R67.2Low68.6Low158 Ų158108.8 Ų108.860%0.59651%0.506SS*.Hα-helixtrans-53.5-43172.8-79.2178.7-87.4-175.7-7.3111.6T1090 Q1091 L1097 R1098T1090-R1094 WeakPolarHBondContact O-CB 3.38Å; T1090-R1094 VanDerWaalsContact O-CG 3.31Å; T1090-R1094 WeakPolarHBondContact O-CG 3.16Å; T1090-R1094 PolarHBondContact O-N 2.87Å; T1090-R1094 PolarHBondContact O-NE 3.49Å; T1090-R1094 VanDerWaalsContact O-NE 3.15Å; T1090-R1094 PolarHBondContact OG1-NH2 3.49Å; Q1091-R1094 PolarHBondContact O-N 3.31Å; R1094-L1097 PolarHBondContact O-N 3.3Å; R1094-R1098 WeakPolarHBondContact O-CB 3.5Å; R1094-R1098 PolarHBondContact O-N 3.1Å
1095L74.1Confident70.7Confident75 Ų75103.4 Ų103.439%0.39347%0.47SS..Hα-helixtrans-66.9-41.6174.1-69172.5000113.2Q1091 E1093 L1097 R1098 R1099Q1091-L1095 WeakPolarHBondContact O-CG 3.26Å; Q1091-L1095 PolarHBondContact O-N 2.91Å; E1093-L1095 PolarHBondContact O-N 3.39Å; L1095-L1097 VanDerWaalsContact C-N 3.28Å; L1095-L1097 PolarHBondContact O-N 2.7Å; L1095-R1098 PolarHBondContact O-N 3.16Å; L1095-R1099 WeakPolarHBondContact O-CB 3.33Å; L1095-R1099 VanDerWaalsContact O-CG 3.26Å; L1095-R1099 WeakPolarHBondContact O-CG 3.48Å; L1095-R1099 PolarHBondContact O-N 2.98Å
1096K80.8Confident72.9Confident94 Ų9497.3 Ų97.341%0.40944%0.44SS..Hα-helixtrans-59.6-39.8172.3-72.9159.3-168.2159.60110.8Q1092 E1093 K1100Q1092-K1096 WeakPolarHBondContact O-CB 2.77Å; Q1092-K1096 WeakPolarHBondContact O-CD 3.16Å; Q1092-K1096 WeakPolarHBondContact O-CG 3.1Å; Q1092-K1096 PolarHBondContact O-N 2.99Å; E1093-K1096 CarbonylContact O-C 3.18Å; E1093-K1096 WeakPolarHBondContact O-CA 3.28Å; E1093-K1096 WeakPolarHBondContact O-CB 3.38Å; E1093-K1096 PolarHBondContact O-N 3.09Å; K1096-K1100 WeakPolarHBondContact O-CB 3.28Å; K1096-K1100 VanDerWaalsContact O-CG 3.23Å; K1096-K1100 WeakPolarHBondContact O-CG 3.47Å; K1096-K1100 PolarHBondContact O-N 3.12Å
1097L76.9Confident74.8Confident113 Ų113100.9 Ų100.959%0.59245%0.45SS*.Hα-helixtrans-70.8-45.6178.7-174.961.5000112E1093 R1094 L1095 R1099 K1100 R1101E1093-L1097 WeakPolarHBondContact O-CB 3.46Å; E1093-L1097 PolarHBondContact O-N 3.4Å; R1094-L1097 PolarHBondContact O-N 3.3Å; L1095-L1097 VanDerWaalsContact C-N 3.28Å; L1095-L1097 PolarHBondContact O-N 2.7Å; L1097-R1099 PolarHBondContact O-N 2.8Å; L1097-K1100 CarbonylContact O-C 3.59Å; L1097-K1100 WeakPolarHBondContact O-CB 3.38Å; L1097-K1100 PolarHBondContact O-N 2.82Å; L1097-K1100 VanDerWaalsContact O-N 3.12Å; L1097-R1101 PolarHBondContact O-N 3.48Å
1098R75.8Confident76.9Confident48 Ų4898.6 Ų98.618%0.18144%0.435CS..Hα-helixtrans-57.9-45.4174.3-167175.7-1751745.7111.3R1094 L1095 K1100 R1101 A1102 V1417 D1423R1094-R1098 WeakPolarHBondContact O-CB 3.5Å; R1094-R1098 PolarHBondContact O-N 3.1Å; L1095-R1098 PolarHBondContact O-N 3.16Å; R1098-K1100 PolarHBondContact O-N 2.67Å; R1098-R1101 WeakPolarHBondContact O-CB 3.48Å; R1098-R1101 PolarHBondContact O-N 3.41Å; R1098-R1101 VanDerWaalsContact O-N 3.16Å; R1098-A1102 PolarHBondContact O-N 3.49Å; R1098-V1417 PolarHBondContact NE-O 2.97Å; R1098-V1417 PolarHBondContact NH2-O 3.31Å; R1098-D1423 IonicContact CZ-OD1 3.37Å; R1098-D1423 IonicContact CZ-OD2 3.5Å; R1098-D1423 VanDerWaalsContact CZ-OD2 3.24Å; R1098-D1423 IonicContact NH1-OD1 2.68Å; R1098-D1423 PolarHBondContact NH1-OD1 2.71Å; R1098-D1423 IonicContact NH1-OD2 2.78Å; R1098-D1423 PolarHBondContact NH1-OD2 3.04Å; R1098-D1423 IonicContact NH2-OD1 3.08Å; R1098-D1423 PolarHBondContact NH2-OD1 3.04Å; R1098-D1423 IonicContact NH2-OD2 3.08Å
1099R82.2Confident78.6Confident171 Ų17193.8 Ų93.865%0.64541%0.413SS*.Hα-helixtrans-62.3-38.7173.3-70.3171.7-179.2-1792.2112.9L1095 L1097 R1103L1095-R1099 WeakPolarHBondContact O-CB 3.33Å; L1095-R1099 VanDerWaalsContact O-CG 3.26Å; L1095-R1099 WeakPolarHBondContact O-CG 3.48Å; L1095-R1099 PolarHBondContact O-N 2.98Å; L1097-R1099 PolarHBondContact O-N 2.8Å; R1099-R1103 WeakPolarHBondContact O-CG 3.45Å; R1099-R1103 PolarHBondContact O-N 3.41Å
1100K85.2Confident80.4Confident125 Ų12592.7 Ų92.754%0.54341%0.407SS..Hα-helixtrans-65.5-39.1172.3-74165.8-177.4174.50111.9K1096 L1097 R1098 K1104K1096-K1100 WeakPolarHBondContact O-CB 3.28Å; K1096-K1100 VanDerWaalsContact O-CG 3.23Å; K1096-K1100 WeakPolarHBondContact O-CG 3.47Å; K1096-K1100 PolarHBondContact O-N 3.12Å; L1097-K1100 CarbonylContact O-C 3.59Å; L1097-K1100 WeakPolarHBondContact O-CB 3.38Å; L1097-K1100 PolarHBondContact O-N 2.82Å; L1097-K1100 VanDerWaalsContact O-N 3.12Å; R1098-K1100 PolarHBondContact O-N 2.67Å; K1100-K1104 WeakPolarHBondContact O-CG 2.95Å; K1100-K1104 PolarHBondContact O-N 3.41Å
1101R85.3Confident81.9Confident82 Ų8295.7 Ų95.731%0.30942%0.417SS..Hα-helixtrans-64.7-49176-179.4176.7173161.2-1.7111.2L1097 R1098 R1103 K1104 L1105 F1580L1097-R1101 PolarHBondContact O-N 3.48Å; R1098-R1101 WeakPolarHBondContact O-CB 3.48Å; R1098-R1101 PolarHBondContact O-N 3.41Å; R1098-R1101 VanDerWaalsContact O-N 3.16Å; R1101-R1103 PolarHBondContact O-N 3.23Å; R1101-K1104 PolarHBondContact O-N 2.63Å; R1101-L1105 HydrophobicContact CG-CD1 3.92Å; R1101-L1105 PolarHBondContact O-N 3.19Å; R1101-F1580 VanDerWaalsContact NH2-CE2 3.35Å; R1101-F1580 VanDerWaalsContact NH2-CZ 3.31Å
1102A87.3Confident83.2Confident12 Ų1294 Ų9410%0.09941%0.406CS..Hα-helixtrans-56.8-46.3178.300000113.1R1098 K1104 L1105 R1106 Y1415 S1418R1098-A1102 PolarHBondContact O-N 3.49Å; A1102-K1104 PolarHBondContact O-N 2.99Å; A1102-L1105 PolarHBondContact O-N 3.47Å; A1102-R1106 WeakPolarHBondContact O-CB 3.35Å; A1102-R1106 PolarHBondContact O-N 3.46Å; A1102-Y1415 HydrophobicContact CB-CE2 4.45Å; A1102-S1418 WeakPolarHBondContact CB-O 3.46Å
1103R89.8Confident84.2Confident197 Ų19790.4 Ų90.474%0.74339%0.39SS*.Hα-helixtrans-61.4-42.1177.2-70.5175.4-177.7-170.30.1112.3R1099 R1101 R1106 Q1107R1099-R1103 WeakPolarHBondContact O-CG 3.45Å; R1099-R1103 PolarHBondContact O-N 3.41Å; R1101-R1103 PolarHBondContact O-N 3.23Å; R1103-R1106 PolarHBondContact O-N 3.41Å; R1103-Q1107 PolarHBondContact O-N 2.95Å
1104K91.7Very high85.1Confident144 Ų14489.5 Ų89.563%0.62639%0.388SS*.Hα-helixtrans-67.8-39.7177-72.7179.3177.7-1760112.6K1100 R1101 A1102 R1108K1100-K1104 WeakPolarHBondContact O-CG 2.95Å; K1100-K1104 PolarHBondContact O-N 3.41Å; R1101-K1104 PolarHBondContact O-N 2.63Å; A1102-K1104 PolarHBondContact O-N 2.99Å; K1104-R1108 WeakPolarHBondContact O-CG 2.91Å; K1104-R1108 PolarHBondContact O-N 3.05Å
1105L89.9Confident86.1Confident8 Ų886.5 Ų86.54%0.04238%0.381CS..Hα-helixtrans-58.4-54.5171.9-82.6158.3000110.6R1101 A1102 Q1107 R1108 M1109 D1411 Y1415 S1418R1101-L1105 HydrophobicContact CG-CD1 3.92Å; R1101-L1105 PolarHBondContact O-N 3.19Å; A1102-L1105 PolarHBondContact O-N 3.47Å; L1105-Q1107 VanDerWaalsContact C-N 3.3Å; L1105-Q1107 PolarHBondContact O-N 2.85Å; L1105-R1108 PolarHBondContact O-N 3Å; L1105-R1108 VanDerWaalsContact O-N 3.12Å; L1105-M1109 HydrophobicContact CB-SD 4.28Å; L1105-M1109 VanDerWaalsContact O-CG 3.29Å; L1105-M1109 WeakPolarHBondContact O-CG 3.41Å; L1105-M1109 PolarHBondContact O-N 2.92Å; L1105-D1411 WeakPolarHBondContact CD2-OD1 3.17Å; L1105-Y1415 HydrophobicContact CB-CD2 4.11Å; L1105-S1418 WeakPolarHBondContact CD1-OG 3.05Å
1106R89.6Confident86.6Confident37 Ų3784.4 Ų84.414%0.1437%0.369CS..Hα-helixtrans-55.9-42.4180-172.960.3169.6-68.78.5113.1A1102 R1103 M1109 N1110 S1263 D1267 Y1415A1102-R1106 WeakPolarHBondContact O-CB 3.35Å; A1102-R1106 PolarHBondContact O-N 3.46Å; R1103-R1106 PolarHBondContact O-N 3.41Å; R1106-M1109 PolarHBondContact O-N 2.78Å; R1106-N1110 PolarHBondContact NE-OD1 3.39Å; R1106-N1110 VanDerWaalsContact O-CB 3.32Å; R1106-N1110 WeakPolarHBondContact O-CB 3.17Å; R1106-N1110 VanDerWaalsContact O-CG 3.23Å; R1106-N1110 PolarHBondContact O-N 3.37Å; R1106-N1110 PolarHBondContact O-OD1 2.89Å; R1106-S1263 PolarHBondContact NE-OG 3.02Å; R1106-S1263 PolarHBondContact NH2-OG 3.34Å; R1106-D1267 IonicContact CZ-OD1 3.19Å; R1106-D1267 IonicContact CZ-OD2 3.81Å; R1106-D1267 IonicContact NH1-OD1 2.7Å; R1106-D1267 PolarHBondContact NH1-OD1 3.45Å; R1106-D1267 IonicContact NH1-OD2 4Å; R1106-D1267 PolarHBondContact NH1-OD2 3.25Å; R1106-D1267 IonicContact NH2-OD1 2.85Å; R1106-D1267 IonicContact NH2-OD2 2.8Å; R1106-D1267 PolarHBondContact NH2-OD2 3.48Å; R1106-Y1415 HydrophobicContact CB-CD2 4.29Å; R1106-Y1415 HydrophobicContact CB-CE2 3.73Å; R1106-Y1415 HydrophobicContact CG-CE2 4.35Å; R1106-Y1415 PolarHBondContact NH1-OH 2.96Å
1107Q90.2Very high86.8Confident141 Ų14182.6 Ų82.666%0.65936%0.364SS*.Hα-helixtrans-61.3-46.3178.3-171.8178.77.600111.8R1103 L1105 Q1111R1103-Q1107 PolarHBondContact O-N 2.95Å; L1105-Q1107 VanDerWaalsContact C-N 3.3Å; L1105-Q1107 PolarHBondContact O-N 2.85Å; Q1107-Q1111 WeakPolarHBondContact O-CB 2.95Å; Q1107-Q1111 PolarHBondContact O-N 2.87Å
1108R90.1Very high87.1Confident99 Ų9984.6 Ų84.637%0.37437%0.367SS..Hα-helixtrans-64-43.1176.5-65.6-171.4-52.3164.35.5111.9K1104 L1105 Q1111 R1112 D1411K1104-R1108 WeakPolarHBondContact O-CG 2.91Å; K1104-R1108 PolarHBondContact O-N 3.05Å; L1105-R1108 PolarHBondContact O-N 3Å; L1105-R1108 VanDerWaalsContact O-N 3.12Å; R1108-Q1111 PolarHBondContact O-N 3Å; R1108-R1112 WeakPolarHBondContact O-CB 2.95Å; R1108-R1112 VanDerWaalsContact O-CG 3.28Å; R1108-R1112 WeakPolarHBondContact O-CG 3.43Å; R1108-R1112 PolarHBondContact O-N 3.32Å; R1108-D1411 IonicContact CZ-OD1 3.66Å; R1108-D1411 IonicContact NH2-OD1 3.58Å; R1108-D1411 PolarHBondContact NH2-OD1 3.43Å
1109M87.4Confident87.3Confident10 Ų1087.5 Ų87.55%0.04938%0.383CS..Hα-helixtrans-66.1-42.1179.8-65.8161.465.500111.8L1105 R1106 R1112 G1113 N1260 D1411 L1412 Y1415L1105-M1109 HydrophobicContact CB-SD 4.28Å; L1105-M1109 VanDerWaalsContact O-CG 3.29Å; L1105-M1109 WeakPolarHBondContact O-CG 3.41Å; L1105-M1109 PolarHBondContact O-N 2.92Å; R1106-M1109 PolarHBondContact O-N 2.78Å; M1109-R1112 PolarHBondContact O-N 2.74Å; M1109-G1113 PolarHBondContact O-N 3.07Å; M1109-N1260 WeakPolarHBondContact CB-ND2 3.5Å; M1109-N1260 VanDerWaalsContact CE-OD1 3.29Å; M1109-N1260 WeakPolarHBondContact CE-OD1 3.25Å; M1109-D1411 HydrophobicContact CG-CB 3.87Å; M1109-D1411 HydrophobicContact SD-CB 4.18Å; M1109-L1412 HydrophobicContact CE-CB 4.32Å; M1109-L1412 HydrophobicContact CE-CD1 4.15Å; M1109-Y1415 HydrophobicContact CE-CD1 4.32Å; M1109-Y1415 HydrophobicContact CE-CG 4.15Å; M1109-Y1415 HydrophobicContact SD-CG 4.09Å
1110N90.4Very high87Confident67 Ų6782 Ų8236%0.35836%0.364SS..Hα-helixtrans-62.4-45.4173.7-74.4-1.8000111.6R1106 R1112 G1113 L1114 N1260R1106-N1110 PolarHBondContact NE-OD1 3.39Å; R1106-N1110 VanDerWaalsContact O-CB 3.32Å; R1106-N1110 WeakPolarHBondContact O-CB 3.17Å; R1106-N1110 VanDerWaalsContact O-CG 3.23Å; R1106-N1110 PolarHBondContact O-N 3.37Å; R1106-N1110 PolarHBondContact O-OD1 2.89Å; N1110-R1112 VanDerWaalsContact C-N 3.33Å; N1110-R1112 PolarHBondContact O-N 3.33Å; N1110-G1113 PolarHBondContact O-N 3.46Å; N1110-L1114 WeakPolarHBondContact O-CG 3.38Å; N1110-L1114 PolarHBondContact O-N 3.37Å; N1110-N1260 PolarHBondContact N-ND2 2.63Å; N1110-N1260 PolarHBondContact OD1-ND2 3.3Å
1111Q89.4Confident86.4Confident121 Ų12182.8 Ų82.857%0.56537%0.37SS*.Hα-helixtrans-58.2-45.6176.3-176.7-179.5700111.5Q1107 R1108 L1114 Q1115Q1107-Q1111 WeakPolarHBondContact O-CB 2.95Å; Q1107-Q1111 PolarHBondContact O-N 2.87Å; R1108-Q1111 PolarHBondContact O-N 3Å; Q1111-L1114 PolarHBondContact O-N 3.27Å; Q1111-Q1115 WeakPolarHBondContact O-CG 3.37Å; Q1111-Q1115 PolarHBondContact O-N 3.17Å; Q1111-Q1115 VanDerWaalsContact O-N 3.16Å
1112R87.9Confident85.6Confident68 Ų6883.1 Ų83.126%0.25739%0.385SS..Hα-helixtrans-69.4-26.7177.8-75.6172.2153.5-166-17.5114.3R1108 M1109 N1110 F1116 R1408 D1411R1108-R1112 WeakPolarHBondContact O-CB 2.95Å; R1108-R1112 VanDerWaalsContact O-CG 3.28Å; R1108-R1112 WeakPolarHBondContact O-CG 3.43Å; R1108-R1112 PolarHBondContact O-N 3.32Å; M1109-R1112 PolarHBondContact O-N 2.74Å; N1110-R1112 VanDerWaalsContact C-N 3.33Å; N1110-R1112 PolarHBondContact O-N 3.33Å; R1112-F1116 PolarHBondContact O-N 3.34Å; R1112-R1408 PolarHBondContact O-NH1 3.02Å; R1112-R1408 VanDerWaalsContact O-NH1 3.17Å; R1112-R1408 PolarHBondContact O-NH2 3.44Å; R1112-D1411 IonicContact CZ-OD2 3.66Å; R1112-D1411 IonicContact NH1-OD2 2.76Å; R1112-D1411 PolarHBondContact NH1-OD2 3.02Å
1113G88.1Confident84.3Confident1 Ų185.6 Ų85.61%0.0140%0.396CS..Hα-helixtrans-77-39.317300000112.7M1109 N1110 Q1115 F1116 L1117 L1258M1109-G1113 PolarHBondContact O-N 3.07Å; N1110-G1113 PolarHBondContact O-N 3.46Å; G1113-Q1115 VanDerWaalsContact C-N 3.28Å; G1113-Q1115 PolarHBondContact O-N 2.71Å; G1113-F1116 PolarHBondContact O-N 2.69Å; G1113-L1117 WeakPolarHBondContact O-CG 3.3Å; G1113-L1117 PolarHBondContact O-N 3.37Å; G1113-L1258 WeakPolarHBondContact CA-O 3.22Å
1114L88Confident82.9Confident108 Ų10885 Ų8557%0.56540%0.399SS*.Hα-helixtrans-66.6-27.9173.5-71.2169.3000112.9N1110 Q1111 K1118N1110-L1114 WeakPolarHBondContact O-CG 3.38Å; N1110-L1114 PolarHBondContact O-N 3.37Å; Q1111-L1114 PolarHBondContact O-N 3.27Å; L1114-K1118 VanDerWaalsContact O-CG 3.31Å; L1114-K1118 WeakPolarHBondContact O-CG 3.5Å; L1114-K1118 PolarHBondContact O-N 3.41Å
1115Q87.3Confident81.3Confident95 Ų9580.1 Ų80.144%0.44438%0.381SS..Hα-helixtrans-65.8-54.6169.4-73.4172.5-52.100110.7Q1111 G1113 L1117 K1118 E1119Q1111-Q1115 WeakPolarHBondContact O-CG 3.37Å; Q1111-Q1115 PolarHBondContact O-N 3.17Å; Q1111-Q1115 VanDerWaalsContact O-N 3.16Å; G1113-Q1115 VanDerWaalsContact C-N 3.28Å; G1113-Q1115 PolarHBondContact O-N 2.71Å; Q1115-L1117 VanDerWaalsContact C-N 3.33Å; Q1115-L1117 PolarHBondContact O-N 2.73Å; Q1115-K1118 PolarHBondContact O-N 2.78Å; Q1115-K1118 VanDerWaalsContact O-N 3.15Å; Q1115-E1119 WeakPolarHBondContact O-CG 3.21Å; Q1115-E1119 PolarHBondContact O-N 3.46Å
1116F86Confident79.9Confident32 Ų3283.5 Ų83.514%0.1440%0.403CS..Hα-helixtrans-55.9-43.4177.3169.9-101.6000112.9R1112 G1113 K1118 E1119 F1120 L1258R1112-F1116 PolarHBondContact O-N 3.34Å; G1113-F1116 PolarHBondContact O-N 2.69Å; F1116-K1118 VanDerWaalsContact C-N 3.35Å; F1116-K1118 PolarHBondContact O-N 3.08Å; F1116-E1119 PolarHBondContact O-N 3.23Å; F1116-F1120 HydrophobicContact CZ-CB 4.41Å; F1116-F1120 HydrophobicContact CZ-CD2 4.15Å; F1116-F1120 HydrophobicContact CZ-CG 4.48Å; F1116-F1120 WeakPolarHBondContact O-CB 3.46Å; F1116-F1120 PolarHBondContact O-N 2.92Å; F1116-L1258 HydrophobicContact CB-CB 4.46Å; F1116-L1258 HydrophobicContact CD1-CB 3.7Å; F1116-L1258 HydrophobicContact CD2-CB 3.74Å; F1116-L1258 HydrophobicContact CD2-CD1 3.91Å; F1116-L1258 HydrophobicContact CD2-CG 4.43Å; F1116-L1258 HydrophobicContact CE1-CB 3.78Å; F1116-L1258 HydrophobicContact CE2-CB 3.82Å; F1116-L1258 HydrophobicContact CE2-CD1 3.55Å; F1116-L1258 HydrophobicContact CE2-CG 4.35Å; F1116-L1258 HydrophobicContact CG-CB 3.67Å; F1116-L1258 HydrophobicContact CZ-CB 3.84Å; F1116-L1258 HydrophobicContact CZ-CD1 4.06Å
1117L83.5Confident78.7Confident56 Ų5684.9 Ų84.929%0.29341%0.413SS..Hα-helixtrans-63.8-37.9179.7-73.3169.3000112.6G1113 Q1115 F1120 E1121G1113-L1117 WeakPolarHBondContact O-CG 3.3Å; G1113-L1117 PolarHBondContact O-N 3.37Å; Q1115-L1117 VanDerWaalsContact C-N 3.33Å; Q1115-L1117 PolarHBondContact O-N 2.73Å; L1117-F1120 PolarHBondContact O-N 3.3Å; L1117-E1121 WeakPolarHBondContact O-CB 3.49Å; L1117-E1121 WeakPolarHBondContact O-CG 3.37Å; L1117-E1121 PolarHBondContact O-N 3.44Å
1118K84.4Confident77.5Confident154 Ų15480.1 Ų80.167%0.6739%0.394SS*.Hα-helixtrans-67.4-41.2174.1-72.4175.5177.9-168.80112.2L1114 Q1115 F1116 F1120 E1121 S1122L1114-K1118 VanDerWaalsContact O-CG 3.31Å; L1114-K1118 WeakPolarHBondContact O-CG 3.5Å; L1114-K1118 PolarHBondContact O-N 3.41Å; Q1115-K1118 PolarHBondContact O-N 2.78Å; Q1115-K1118 VanDerWaalsContact O-N 3.15Å; F1116-K1118 VanDerWaalsContact C-N 3.35Å; F1116-K1118 PolarHBondContact O-N 3.08Å; K1118-F1120 VanDerWaalsContact C-N 3.32Å; K1118-E1121 PolarHBondContact O-N 2.84Å; K1118-S1122 PolarHBondContact O-N 2.89Å; K1118-S1122 VanDerWaalsContact O-N 3.12Å
1119E80.3Confident76.5Confident109 Ų10982.2 Ų82.251%0.50941%0.413SS..Hα-helixtrans-64.1-38.6175.3-70.5159.1-162.200110.9Q1115 F1116 S1122 N1123Q1115-E1119 WeakPolarHBondContact O-CG 3.21Å; Q1115-E1119 PolarHBondContact O-N 3.46Å; F1116-E1119 PolarHBondContact O-N 3.23Å; E1119-S1122 PolarHBondContact O-OG 3.23Å; E1119-N1123 PolarHBondContact O-N 3.1Å; E1119-N1123 VanDerWaalsContact O-N 3.16Å; E1119-N1123 PolarHBondContact O-ND2 3.38Å
1120F76Confident76.2Confident57 Ų5782.3 Ų82.325%0.2541%0.414CS..Hα-helixtrans-69.6-43.2176-169.8-98.4000112.7F1116 L1117 K1118 S1122 N1123 I1384F1116-F1120 HydrophobicContact CZ-CB 4.41Å; F1116-F1120 HydrophobicContact CZ-CD2 4.15Å; F1116-F1120 HydrophobicContact CZ-CG 4.48Å; F1116-F1120 WeakPolarHBondContact O-CB 3.46Å; F1116-F1120 PolarHBondContact O-N 2.92Å; L1117-F1120 PolarHBondContact O-N 3.3Å; K1118-F1120 VanDerWaalsContact C-N 3.32Å; F1120-S1122 VanDerWaalsContact C-N 3.26Å; F1120-S1122 PolarHBondContact O-N 3.33Å; F1120-N1123 CarbonylContact O-C 3.29Å; F1120-N1123 PolarHBondContact O-N 2.97Å; F1120-N1123 VanDerWaalsContact O-N 3.15Å; F1120-I1384 HydrophobicContact CE2-CD1 4.48Å
1121E71.3Confident75.8Confident141 Ų14183.9 Ų83.966%0.65943%0.429SS*.Hα-helixtrans-64.3-28.9176.1-76.7-178.9166.200113.3L1117 K1118L1117-E1121 WeakPolarHBondContact O-CB 3.49Å; L1117-E1121 WeakPolarHBondContact O-CG 3.37Å; L1117-E1121 PolarHBondContact O-N 3.44Å; K1118-E1121 PolarHBondContact O-N 2.84Å
1122S68.9Low75.6Confident89 Ų8980.8 Ų80.862%0.62242%0.416SS*.Hα-helixtrans-75-34.1172.4730000113K1118 E1119 F1120 K1124K1118-S1122 PolarHBondContact O-N 2.89Å; K1118-S1122 VanDerWaalsContact O-N 3.12Å; E1119-S1122 PolarHBondContact O-OG 3.23Å; F1120-S1122 VanDerWaalsContact C-N 3.26Å; F1120-S1122 PolarHBondContact O-N 3.33Å; S1122-K1124 PolarHBondContact O-N 2.87Å
1123N60.6Low75.5Confident63 Ų6379.5 Ų79.534%0.33741%0.412SS..SBendtrans-92.263.9-179.2-72.1-63.1000112E1119 F1120 T1125E1119-N1123 PolarHBondContact O-N 3.1Å; E1119-N1123 VanDerWaalsContact O-N 3.16Å; E1119-N1123 PolarHBondContact O-ND2 3.38Å; F1120-N1123 CarbonylContact O-C 3.29Å; F1120-N1123 PolarHBondContact O-N 2.97Å; F1120-N1123 VanDerWaalsContact O-N 3.15Å; N1123-T1125 PolarHBondContact O-N 2.66Å
1124K59Low75.4Confident185 Ų18586.3 Ų86.380%0.80445%0.448SS*.  trans-64.2106175.7-72.1-177.9-179.1172.90111.5S1122S1122-K1124 PolarHBondContact O-N 2.87Å
1125T58.6Low75.6Confident41 Ų4185.3 Ų85.325%0.25244%0.44SS..PPolyproline II helixtrans-70.1148.4172.451.80000111.7N1123 I1127 I1384N1123-T1125 PolarHBondContact O-N 2.66Å; T1125-I1127 PolarHBondContact O-N 3.39Å; T1125-I1384 HydrophobicContact CG2-CB 3.95Å; T1125-I1384 HydrophobicContact CG2-CD1 4.21Å; T1125-I1384 HydrophobicContact CG2-CG2 3.51Å
1126P61.1Low75.8Confident79 Ų7980.8 Ų80.851%0.51342%0.419SS..PPolyproline II helixtrans-62.7132167.227-32.2000109.5P1128 T1386P1126-P1128 WeakPolarHBondContact O-CD 3.45Å; P1126-T1386 WeakPolarHBondContact CG-O 3.08Å
1127I63.3Low76Confident66 Ų6682 Ų8234%0.33843%0.426SS..PPolyproline II helixtrans-77.8121.9-177.4-54.9173.8000108.4T1125 K1133 V1202T1125-I1127 PolarHBondContact O-N 3.39Å; I1127-K1133 PolarHBondContact O-NZ 2.85Å; I1127-V1202 HydrophobicContact CG2-CG1 4.4Å; I1127-V1202 HydrophobicContact CG2-CG2 3.97Å
1128P65Low76.5Confident41 Ų4186 Ų8627%0.26644%0.441SS..PPolyproline II helixtrans-53.3149.9176.8-26.735.1000112.8P1126 S1130 K1133 Q1201P1126-P1128 WeakPolarHBondContact O-CD 3.45Å; P1128-S1130 PolarHBondContact O-N 3.45Å; P1128-K1133 WeakPolarHBondContact O-CD 3.46Å; P1128-K1133 WeakPolarHBondContact O-CE 3.5Å; P1128-K1133 PolarHBondContact O-NZ 3.19Å; P1128-Q1201 HydrophobicContact CG-CB 4.04Å
1129D70.3Confident77Confident144 Ų14479.5 Ų79.577%0.7741%0.414SS*.  trans-87.8103.9174.3-76.3-54.8000110.6K1133D1129-K1133 IonicContact OD1-NZ 2.78Å; D1129-K1133 PolarHBondContact OD1-NZ 2.72Å; D1129-K1133 IonicContact OD2-NZ 3.3Å
1130S81Confident77.6Confident11 Ų1174.5 Ų74.58%0.07739%0.391CS..  trans-108.2150.6168.791.70000110.5P1128 N1132 K1133 S1198 D1199P1128-S1130 PolarHBondContact O-N 3.45Å; S1130-N1132 PolarHBondContact O-N 3.39Å; S1130-N1132 PolarHBondContact OG-N 3.2Å; S1130-K1133 WeakPolarHBondContact O-CB 3.45Å; S1130-K1133 PolarHBondContact O-N 3.13Å; S1130-K1133 VanDerWaalsContact O-N 3.15Å; S1130-K1133 PolarHBondContact OG-N 3.39Å; S1130-K1133 VanDerWaalsContact OG-N 3.1Å; S1130-S1198 WeakPolarHBondContact CB-OG 3.39Å; S1130-D1199 WeakPolarHBondContact CB-OD1 3.16Å; S1130-D1199 PolarHBondContact OG-OD1 2.96Å
1131P81.4Confident78.5Confident101 Ų10179.5 Ų79.566%0.65641%0.412SS*.THydrogen-bonded Turntrans-62.5-29.7177.925.6-34.4000112.4V1195P1131-V1195 HydrophobicContact CG-CG1 3.8Å; P1131-V1195 HydrophobicContact CG-CG2 4.22Å
1132N85Confident79.6Confident55 Ų5575.3 Ų75.329%0.29439%0.394SS..THydrogen-bonded Turntrans-88.5-1.7179.2-63.4-46.2000113.9S1130 L1134 H1135 L1136 D1199S1130-N1132 PolarHBondContact O-N 3.39Å; S1130-N1132 PolarHBondContact OG-N 3.2Å; N1132-L1134 VanDerWaalsContact C-N 3.32Å; N1132-L1134 PolarHBondContact O-N 3.25Å; N1132-L1134 VanDerWaalsContact O-N 3.11Å; N1132-H1135 CarbonylContact O-C 3.44Å; N1132-H1135 WeakPolarHBondContact O-CA 3.12Å; N1132-H1135 WeakPolarHBondContact O-CB 3.36Å; N1132-H1135 PolarHBondContact O-N 3.41Å; N1132-L1136 HydrophobicContact CB-CD1 4.28Å; N1132-L1136 HydrophobicContact CB-CG 4.08Å; N1132-L1136 WeakPolarHBondContact O-CG 3.47Å; N1132-L1136 PolarHBondContact O-N 3.4Å; N1132-D1199 VanDerWaalsContact CB-OD2 3.3Å; N1132-D1199 WeakPolarHBondContact CB-OD2 3.33Å; N1132-D1199 PolarHBondContact ND2-OD2 3.15Å
1133K86.4Confident80.8Confident41 Ų4171 Ų7118%0.17836%0.364CS..Hα-helixtrans-43.4-49.8-173.8-177.2171.3-175.1162.70113.9I1127 P1128 D1129 S1130 L1137 V1202I1127-K1133 PolarHBondContact O-NZ 2.85Å; P1128-K1133 WeakPolarHBondContact O-CD 3.46Å; P1128-K1133 WeakPolarHBondContact O-CE 3.5Å; P1128-K1133 PolarHBondContact O-NZ 3.19Å; D1129-K1133 IonicContact OD1-NZ 2.78Å; D1129-K1133 PolarHBondContact OD1-NZ 2.72Å; D1129-K1133 IonicContact OD2-NZ 3.3Å; S1130-K1133 WeakPolarHBondContact O-CB 3.45Å; S1130-K1133 PolarHBondContact O-N 3.13Å; S1130-K1133 VanDerWaalsContact O-N 3.15Å; S1130-K1133 PolarHBondContact OG-N 3.39Å; S1130-K1133 VanDerWaalsContact OG-N 3.1Å; K1133-L1137 HydrophobicContact CG-CD1 4.24Å; K1133-L1137 WeakPolarHBondContact O-CB 3.5Å; K1133-L1137 WeakPolarHBondContact O-CD1 3.13Å; K1133-L1137 WeakPolarHBondContact O-CG 3.27Å; K1133-L1137 PolarHBondContact O-N 3.11Å; K1133-V1202 HydrophobicContact CG-CG1 4.41Å; K1133-V1202 HydrophobicContact CG-CG2 4.46Å
1134L87.1Confident82.4Confident145 Ų14572.8 Ų72.876%0.75937%0.366SS*.Hα-helixtrans-66.6-36.5178-178.161.2000113.3N1132 K1138N1132-L1134 VanDerWaalsContact C-N 3.32Å; N1132-L1134 PolarHBondContact O-N 3.25Å; N1132-L1134 VanDerWaalsContact O-N 3.11Å; L1134-K1138 WeakPolarHBondContact O-CB 3.34Å; L1134-K1138 PolarHBondContact O-N 2.96Å; L1134-K1138 VanDerWaalsContact O-N 3.15Å
1135H91.6Very high84.1Confident87 Ų8772 Ų7240%0.40336%0.358SS..Hα-helixtrans-70.4-46.3177.8-179.8-131.5000111.4N1132 L1137 K1138 L1139N1132-H1135 CarbonylContact O-C 3.44Å; N1132-H1135 WeakPolarHBondContact O-CA 3.12Å; N1132-H1135 WeakPolarHBondContact O-CB 3.36Å; N1132-H1135 PolarHBondContact O-N 3.41Å; H1135-L1137 PolarHBondContact O-N 3.13Å; H1135-K1138 WeakPolarHBondContact O-CB 3.5Å; H1135-K1138 PolarHBondContact O-N 2.73Å; H1135-L1139 WeakPolarHBondContact O-CG 3.33Å; H1135-L1139 PolarHBondContact O-N 2.76Å
1136L90.5Very high85.6Confident0 Ų072 Ų720%036%0.355CS..Hα-helixtrans-58-49.2174.5-64.5176.2000111.4N1132 K1138 L1139 I1140 L1170 C1173 D1199 V1202N1132-L1136 HydrophobicContact CB-CD1 4.28Å; N1132-L1136 HydrophobicContact CB-CG 4.08Å; N1132-L1136 WeakPolarHBondContact O-CG 3.47Å; N1132-L1136 PolarHBondContact O-N 3.4Å; L1136-K1138 VanDerWaalsContact C-N 3.28Å; L1136-K1138 PolarHBondContact O-N 3.21Å; L1136-L1139 PolarHBondContact O-N 2.63Å; L1136-L1139 VanDerWaalsContact O-N 3.14Å; L1136-I1140 WeakPolarHBondContact O-CB 3.31Å; L1136-I1140 VanDerWaalsContact O-CG1 3.26Å; L1136-I1140 WeakPolarHBondContact O-CG1 3.47Å; L1136-I1140 PolarHBondContact O-N 2.98Å; L1136-L1170 HydrophobicContact CD2-CD2 3.92Å; L1136-C1173 HydrophobicContact CD2-CB 3.63Å; L1136-D1199 HydrophobicContact CD1-CB 3.79Å; L1136-V1202 HydrophobicContact CB-CG1 4.28Å; L1136-V1202 HydrophobicContact CD1-CB 4.06Å; L1136-V1202 HydrophobicContact CD1-CG1 3.99Å
1137L90.6Very high87Confident57 Ų5769 Ų6930%0.29834%0.335SS..Hα-helixtrans-56.3-41.6176.6-74.5169.5000112.2K1133 H1135 K1141 N1206K1133-L1137 HydrophobicContact CG-CD1 4.24Å; K1133-L1137 WeakPolarHBondContact O-CB 3.5Å; K1133-L1137 WeakPolarHBondContact O-CD1 3.13Å; K1133-L1137 WeakPolarHBondContact O-CG 3.27Å; K1133-L1137 PolarHBondContact O-N 3.11Å; H1135-L1137 PolarHBondContact O-N 3.13Å; L1137-K1141 WeakPolarHBondContact O-CB 3.34Å; L1137-K1141 PolarHBondContact O-N 3.44Å; L1137-N1206 HydrophobicContact CD2-CB 4.33Å; L1137-N1206 WeakPolarHBondContact CD2-OD1 3.4Å
1138K93.8Very high88.1Confident140 Ų14071.7 Ų71.761%0.60935%0.349SS*.Hα-helixtrans-64.5-44176.2-173.1177.6-178.8178.60111.9L1134 H1135 L1136 N1142L1134-K1138 WeakPolarHBondContact O-CB 3.34Å; L1134-K1138 PolarHBondContact O-N 2.96Å; L1134-K1138 VanDerWaalsContact O-N 3.15Å; H1135-K1138 WeakPolarHBondContact O-CB 3.5Å; H1135-K1138 PolarHBondContact O-N 2.73Å; L1136-K1138 VanDerWaalsContact C-N 3.28Å; L1136-K1138 PolarHBondContact O-N 3.21Å; K1138-N1142 WeakPolarHBondContact O-CB 3.33Å; K1138-N1142 PolarHBondContact O-N 2.89Å; K1138-N1142 PolarHBondContact O-ND2 3.27Å
1139L95.6Very high89.1Confident17 Ų1773.1 Ų73.19%0.08936%0.355CS..Hα-helixtrans-66.6-45.6177.7-69.1172000112.4H1135 L1136 N1142 A1143 L1170H1135-L1139 WeakPolarHBondContact O-CG 3.33Å; H1135-L1139 PolarHBondContact O-N 2.76Å; L1136-L1139 PolarHBondContact O-N 2.63Å; L1136-L1139 VanDerWaalsContact O-N 3.14Å; L1139-N1142 PolarHBondContact O-N 3.23Å; L1139-A1143 WeakPolarHBondContact O-CB 3.29Å; L1139-A1143 PolarHBondContact O-N 2.82Å; L1139-L1170 HydrophobicContact CB-CD1 4.36Å; L1139-L1170 HydrophobicContact CB-CD2 3.71Å; L1139-L1170 HydrophobicContact CB-CG 3.86Å; L1139-L1170 HydrophobicContact CD1-CD2 3.98Å; L1139-L1170 HydrophobicContact CD1-CG 4.1Å
1140I93.3Very high89.3Confident5 Ų571 Ų713%0.02635%0.349CS..Hα-helixtrans-63-44.2177.8-65.9167.3000110.7L1136 N1142 A1143 R1144 L1170 C1203 N1206 L1208 I1211L1136-I1140 WeakPolarHBondContact O-CB 3.31Å; L1136-I1140 VanDerWaalsContact O-CG1 3.26Å; L1136-I1140 WeakPolarHBondContact O-CG1 3.47Å; L1136-I1140 PolarHBondContact O-N 2.98Å; I1140-N1142 VanDerWaalsContact C-N 3.34Å; I1140-N1142 PolarHBondContact O-N 2.62Å; I1140-A1143 PolarHBondContact O-N 2.9Å; I1140-R1144 WeakPolarHBondContact O-CB 3.33Å; I1140-R1144 PolarHBondContact O-N 2.76Å; I1140-L1170 HydrophobicContact CG1-CD1 4.35Å; I1140-L1170 HydrophobicContact CG1-CD2 3.95Å; I1140-C1203 HydrophobicContact CD1-CB 4.3Å; I1140-N1206 HydrophobicContact CD1-CB 4.01Å; I1140-N1206 HydrophobicContact CG2-CB 4.3Å; I1140-L1208 HydrophobicContact CD1-CB 4.37Å; I1140-L1208 HydrophobicContact CG1-CB 4.38Å; I1140-L1208 HydrophobicContact CG1-CD1 4.49Å; I1140-I1211 HydrophobicContact CG2-CD1 3.75Å
1141K93.3Very high88.6Confident161 Ų16174.5 Ų74.570%0.737%0.367SS*.Hα-helixtrans-62.5-39.9176.1-173.8173.7-177.6175.30111.9L1137 R1145L1137-K1141 WeakPolarHBondContact O-CB 3.34Å; L1137-K1141 PolarHBondContact O-N 3.44Å; K1141-R1145 WeakPolarHBondContact O-CB 3.16Å; K1141-R1145 PolarHBondContact O-N 3.35Å
1142N94.6Very high87.6Confident53 Ų5376 Ų7628%0.28337%0.374SS..Hα-helixtrans-65.6-47.3174.5-74.8-15.8000111.9K1138 L1139 I1140 R1144 R1145 F1146K1138-N1142 WeakPolarHBondContact O-CB 3.33Å; K1138-N1142 PolarHBondContact O-N 2.89Å; K1138-N1142 PolarHBondContact O-ND2 3.27Å; L1139-N1142 PolarHBondContact O-N 3.23Å; I1140-N1142 VanDerWaalsContact C-N 3.34Å; I1140-N1142 PolarHBondContact O-N 2.62Å; N1142-R1144 PolarHBondContact O-N 3.46Å; N1142-R1145 WeakPolarHBondContact O-CB 3.3Å; N1142-R1145 PolarHBondContact O-N 3.26Å; N1142-R1145 VanDerWaalsContact O-N 3.15Å; N1142-F1146 HydrophobicContact CB-CD2 4.42Å; N1142-F1146 HydrophobicContact CB-CE2 3.95Å; N1142-F1146 WeakPolarHBondContact O-CD2 3.31Å; N1142-F1146 WeakPolarHBondContact O-CG 3.45Å; N1142-F1146 PolarHBondContact O-N 3.01Å
1143A94.8Very high87Confident0 Ų075 Ų750%038%0.377CS..Hα-helixtrans-59.4-45.1177.200000111.9L1139 I1140 R1145 F1146 L1147 M1163 C1166 I1211L1139-A1143 WeakPolarHBondContact O-CB 3.29Å; L1139-A1143 PolarHBondContact O-N 2.82Å; I1140-A1143 PolarHBondContact O-N 2.9Å; A1143-R1145 VanDerWaalsContact C-N 3.34Å; A1143-R1145 PolarHBondContact O-N 3.39Å; A1143-F1146 PolarHBondContact O-N 3.04Å; A1143-L1147 WeakPolarHBondContact O-CB 3.4Å; A1143-L1147 PolarHBondContact O-N 3.35Å; A1143-M1163 HydrophobicContact CB-SD 4.09Å; A1143-C1166 HydrophobicContact CB-CB 4.44Å; A1143-I1211 HydrophobicContact CB-CG2 4.13Å
1144R94.8Very high86.6Confident99 Ų9976.6 Ų76.637%0.37439%0.391SS..Hα-helixtrans-61.7-39.6174.5-169.1168.4-69.7154.17.2112.2I1140 N1142 L1147 N1148 N1206 G1207 I1211I1140-R1144 WeakPolarHBondContact O-CB 3.33Å; I1140-R1144 PolarHBondContact O-N 2.76Å; N1142-R1144 PolarHBondContact O-N 3.46Å; R1144-L1147 PolarHBondContact O-N 3.04Å; R1144-N1148 WeakPolarHBondContact O-CB 3.48Å; R1144-N1148 VanDerWaalsContact O-CG 3.27Å; R1144-N1148 PolarHBondContact O-N 2.66Å; R1144-N1148 PolarHBondContact O-OD1 3.49Å; R1144-N1206 PolarHBondContact NH2-O 3.3Å; R1144-G1207 PolarHBondContact NH2-O 2.9Å; R1144-G1207 VanDerWaalsContact NH2-O 3.16Å; R1144-I1211 HydrophobicContact CB-CD1 3.79Å; R1144-I1211 HydrophobicContact CB-CG1 4.29Å
1145R93.7Very high86.5Confident168 Ų16870.4 Ų70.463%0.63436%0.358SS*.Hα-helixtrans-62-47.2174-175.5-176.1-179-170.41.3111.6K1141 N1142 A1143 L1147 N1148 L1149K1141-R1145 WeakPolarHBondContact O-CB 3.16Å; K1141-R1145 PolarHBondContact O-N 3.35Å; N1142-R1145 WeakPolarHBondContact O-CB 3.3Å; N1142-R1145 PolarHBondContact O-N 3.26Å; N1142-R1145 VanDerWaalsContact O-N 3.15Å; A1143-R1145 VanDerWaalsContact C-N 3.34Å; A1143-R1145 PolarHBondContact O-N 3.39Å; R1145-L1147 VanDerWaalsContact C-N 3.31Å; R1145-L1147 PolarHBondContact O-N 3.25Å; R1145-N1148 PolarHBondContact O-N 2.89Å; R1145-L1149 HydrophobicContact CG-CD1 4.3Å; R1145-L1149 WeakPolarHBondContact O-CD1 3.5Å; R1145-L1149 PolarHBondContact O-N 3.46Å
1146F91.2Very high86.3Confident41 Ų4170.7 Ų70.718%0.1837%0.366CS..Hα-helixtrans-70.3-25.9-179.2-62-46.1000113.6N1142 A1143 R1159 A1162 M1163N1142-F1146 HydrophobicContact CB-CD2 4.42Å; N1142-F1146 HydrophobicContact CB-CE2 3.95Å; N1142-F1146 WeakPolarHBondContact O-CD2 3.31Å; N1142-F1146 WeakPolarHBondContact O-CG 3.45Å; N1142-F1146 PolarHBondContact O-N 3.01Å; A1143-F1146 PolarHBondContact O-N 3.04Å; F1146-R1159 VanDerWaalsContact O-CZ 3.3Å; F1146-R1159 PolarHBondContact O-NE 3.38Å; F1146-R1159 PolarHBondContact O-NH2 2.84Å; F1146-A1162 HydrophobicContact CD2-CB 4.19Å; F1146-A1162 HydrophobicContact CE1-CB 4.06Å; F1146-A1162 HydrophobicContact CE2-CB 3.67Å; F1146-A1162 HydrophobicContact CZ-CB 3.6Å; F1146-M1163 HydrophobicContact CB-CE 3.75Å; F1146-M1163 HydrophobicContact CB-SD 4.4Å
1147L89.1Confident86Confident18 Ų1876.7 Ų76.79%0.09440%0.396CS..Hα-helixtrans-70.6-48.7169.9-174.463000110.8A1143 R1144 R1145 L1149 W1155 R1159 M1163 I1211 N1214 L1215 L1218A1143-L1147 WeakPolarHBondContact O-CB 3.4Å; A1143-L1147 PolarHBondContact O-N 3.35Å; R1144-L1147 PolarHBondContact O-N 3.04Å; R1145-L1147 VanDerWaalsContact C-N 3.31Å; R1145-L1147 PolarHBondContact O-N 3.25Å; L1147-L1149 PolarHBondContact O-N 3.38Å; L1147-L1149 VanDerWaalsContact O-N 3.11Å; L1147-W1155 HydrophobicContact CD1-CH2 4.16Å; L1147-W1155 HydrophobicContact CD1-CZ2 4.32Å; L1147-R1159 PolarHBondContact O-NH2 3.37Å; L1147-M1163 HydrophobicContact CB-CE 4.17Å; L1147-I1211 HydrophobicContact CD2-CG2 4.1Å; L1147-N1214 HydrophobicContact CD2-CB 3.78Å; L1147-L1215 HydrophobicContact CD1-CB 4.22Å; L1147-L1215 HydrophobicContact CD1-CD1 4.35Å; L1147-L1218 HydrophobicContact CD1-CD1 4.26Å
1148N87Confident86Confident121 Ų12178.9 Ų78.965%0.64741%0.412SS*.SBendtrans-79.314.8-174.1-63.612.5000115.2R1144 R1145R1144-N1148 WeakPolarHBondContact O-CB 3.48Å; R1144-N1148 VanDerWaalsContact O-CG 3.27Å; R1144-N1148 PolarHBondContact O-N 2.66Å; R1144-N1148 PolarHBondContact O-OD1 3.49Å; R1145-N1148 PolarHBondContact O-N 2.89Å
1149L85.3Confident85.9Confident72 Ų7273 Ų7338%0.37739%0.386SS..SBendtrans-78.8139.9172.3-110.669.7000109.8R1145 L1147 D1151 R1159R1145-L1149 HydrophobicContact CG-CD1 4.3Å; R1145-L1149 WeakPolarHBondContact O-CD1 3.5Å; R1145-L1149 PolarHBondContact O-N 3.46Å; L1147-L1149 PolarHBondContact O-N 3.38Å; L1147-L1149 VanDerWaalsContact O-N 3.11Å; L1149-D1151 PolarHBondContact O-N 3.01Å; L1149-R1159 VanDerWaalsContact CB-CZ 3.42Å; L1149-R1159 PolarHBondContact O-NH1 3.17Å; L1149-R1159 VanDerWaalsContact O-NH1 3.12Å; L1149-R1159 PolarHBondContact O-NH2 3.3Å
1150P75.9Confident85.6Confident100 Ų10072.6 Ų72.665%0.64938%0.384SS*.  trans-53.8138.9-177.5-2835.3000114.1T1152 R1159P1150-T1152 VanDerWaalsContact C-N 3.3Å; P1150-T1152 PolarHBondContact O-N 3.26Å; P1150-R1159 PolarHBondContact O-NH1 3.11Å
1151D65.9Low85.6Confident84 Ų8477.1 Ų77.145%0.44941%0.405SS..  trans-87.666.9-175.7-63.1-65.9000112.3L1149 G1153 W1155 R1159L1149-D1151 PolarHBondContact O-N 3.01Å; D1151-G1153 PolarHBondContact O-N 3.1Å; D1151-W1155 PolarHBondContact OD1-NE1 3.4Å; D1151-R1159 IonicContact OD1-CZ 2.93Å; D1151-R1159 IonicContact OD1-NH1 3.54Å; D1151-R1159 IonicContact OD1-NH2 3.29Å
1152T61.4Low85.5Confident132 Ų13270.8 Ų70.881%0.8138%0.383SS*.  trans-74.958.6173.159.70000111.5P1150P1150-T1152 VanDerWaalsContact C-N 3.3Å; P1150-T1152 PolarHBondContact O-N 3.26Å
1153G71.4Confident85.5Confident34 Ų3468.2 Ų68.235%0.35137%0.369SS..SBendtrans76.9-161.1-175.700000113.9D1151 W1155 L1229D1151-G1153 PolarHBondContact O-N 3.1Å; G1153-W1155 PolarHBondContact O-N 3.4Å; G1153-L1229 VanDerWaalsContact O-CD1 3.24Å; G1153-L1229 WeakPolarHBondContact O-CD1 3.28Å
1154P78.1Confident85.6Confident75 Ų7569.1 Ų69.149%0.48737%0.374SS..SBendtrans-52.4135.3-177.3-27.836000113.1V1156 K1227P1154-V1156 PolarHBondContact O-N 2.94Å; P1154-K1227 HydrophobicContact CG-CB 4.14Å
1155W84.4Confident85.6Confident14 Ų1471.7 Ų71.75%0.05339%0.387CS..PPolyproline II helixtrans-61.9126.6-176.5-76.418.4000111.4L1147 D1151 G1153 R1159 V1160 M1163 L1215 L1218 L1229 V1230L1147-W1155 HydrophobicContact CD1-CH2 4.16Å; L1147-W1155 HydrophobicContact CD1-CZ2 4.32Å; D1151-W1155 PolarHBondContact OD1-NE1 3.4Å; G1153-W1155 PolarHBondContact O-N 3.4Å; W1155-R1159 HydrophobicContact CD2-CG 4.16Å; W1155-R1159 VanDerWaalsContact CE2-NH2 3.34Å; W1155-R1159 HydrophobicContact CE3-CG 3.87Å; W1155-R1159 HydrophobicContact CZ3-CG 4.39Å; W1155-R1159 VanDerWaalsContact NE1-CZ 3.29Å; W1155-V1160 HydrophobicContact CB-CG2 3.73Å; W1155-M1163 HydrophobicContact CH2-CE 3.81Å; W1155-M1163 HydrophobicContact CZ3-CB 4.47Å; W1155-M1163 HydrophobicContact CZ3-CE 3.85Å; W1155-M1163 HydrophobicContact CZ3-CG 4.43Å; W1155-L1215 HydrophobicContact CH2-CD1 3.81Å; W1155-L1215 HydrophobicContact CZ3-CD1 4.17Å; W1155-L1218 HydrophobicContact CH2-CD1 4.26Å; W1155-L1218 HydrophobicContact CZ2-CD1 3.65Å; W1155-L1229 PolarHBondContact N-O 3.37Å; W1155-V1230 HydrophobicContact CD2-CG2 3.69Å; W1155-V1230 HydrophobicContact CE3-CG1 4.09Å; W1155-V1230 HydrophobicContact CE3-CG2 3.95Å; W1155-V1230 HydrophobicContact CG-CG2 4.12Å; W1155-V1230 HydrophobicContact CH2-CG2 4.37Å; W1155-V1230 HydrophobicContact CZ2-CG2 4.13Å; W1155-V1230 HydrophobicContact CZ3-CG1 4.36Å; W1155-V1230 HydrophobicContact CZ3-CG2 4.28Å
1156V87.1Confident85.7Confident94 Ų9464.1 Ų64.157%0.5736%0.36SS*.PPolyproline II helixtrans-55.9140.2175.2-65.60000111P1154 T1158 R1159 V1160P1154-V1156 PolarHBondContact O-N 2.94Å; V1156-T1158 PolarHBondContact O-N 3.4Å; V1156-R1159 HydrophobicContact CG2-CB 3.74Å; V1156-R1159 WeakPolarHBondContact O-CA 3.37Å; V1156-R1159 WeakPolarHBondContact O-CB 3.1Å; V1156-R1159 PolarHBondContact O-N 3.1Å; V1156-V1160 PolarHBondContact O-N 3.11Å; V1156-V1160 VanDerWaalsContact O-N 3.12Å
1157I85.8Confident85.9Confident125 Ų12562.2 Ų62.264%0.64135%0.352SS*.Hα-helixtrans-54.8-32.2-172.1-62.5170.5000112.1V1160 Q1161I1157-V1160 PolarHBondContact O-N 2.67Å; I1157-Q1161 HydrophobicContact CG2-CG 4.18Å; I1157-Q1161 WeakPolarHBondContact O-CB 3.19Å; I1157-Q1161 WeakPolarHBondContact O-CG 3.36Å; I1157-Q1161 PolarHBondContact O-N 3.08Å
1158T89Confident86.1Confident103 Ų10364.9 Ų64.963%0.63237%0.366SS*.Hα-helixtrans-66.2-39.1174.550.60000113.5V1156 A1162V1156-T1158 PolarHBondContact O-N 3.4Å; T1158-A1162 WeakPolarHBondContact O-CB 3.36Å; T1158-A1162 PolarHBondContact O-N 3.4Å
1159R91.6Very high86.4Confident17 Ų1760 Ų606%0.06434%0.344CS..Hα-helixtrans-64.6-44.3172.6-178.4-178.7179.4178.2-1.1110.3F1146 L1147 L1149 P1150 D1151 W1155 V1156 A1162 M1163F1146-R1159 VanDerWaalsContact O-CZ 3.3Å; F1146-R1159 PolarHBondContact O-NE 3.38Å; F1146-R1159 PolarHBondContact O-NH2 2.84Å; L1147-R1159 PolarHBondContact O-NH2 3.37Å; L1149-R1159 VanDerWaalsContact CB-CZ 3.42Å; L1149-R1159 PolarHBondContact O-NH1 3.17Å; L1149-R1159 VanDerWaalsContact O-NH1 3.12Å; L1149-R1159 PolarHBondContact O-NH2 3.3Å; P1150-R1159 PolarHBondContact O-NH1 3.11Å; D1151-R1159 IonicContact OD1-CZ 2.93Å; D1151-R1159 IonicContact OD1-NH1 3.54Å; D1151-R1159 IonicContact OD1-NH2 3.29Å; W1155-R1159 HydrophobicContact CD2-CG 4.16Å; W1155-R1159 VanDerWaalsContact CE2-NH2 3.34Å; W1155-R1159 HydrophobicContact CE3-CG 3.87Å; W1155-R1159 HydrophobicContact CZ3-CG 4.39Å; W1155-R1159 VanDerWaalsContact NE1-CZ 3.29Å; V1156-R1159 HydrophobicContact CG2-CB 3.74Å; V1156-R1159 WeakPolarHBondContact O-CA 3.37Å; V1156-R1159 WeakPolarHBondContact O-CB 3.1Å; V1156-R1159 PolarHBondContact O-N 3.1Å; R1159-A1162 PolarHBondContact O-N 3.43Å; R1159-M1163 WeakPolarHBondContact O-CB 3.32Å; R1159-M1163 PolarHBondContact O-N 2.73Å
1160V90.6Very high86.8Confident8 Ų856.5 Ų56.55%0.04833%0.326CS..Hα-helixtrans-61.2-56177.1-178.70000111W1155 V1156 I1157 A1162 M1163 E1164 P1231 T1234W1155-V1160 HydrophobicContact CB-CG2 3.73Å; V1156-V1160 PolarHBondContact O-N 3.11Å; V1156-V1160 VanDerWaalsContact O-N 3.12Å; I1157-V1160 PolarHBondContact O-N 2.67Å; V1160-A1162 VanDerWaalsContact C-N 3.28Å; V1160-A1162 PolarHBondContact O-N 2.91Å; V1160-M1163 WeakPolarHBondContact O-CB 3.46Å; V1160-M1163 PolarHBondContact O-N 2.94Å; V1160-M1163 VanDerWaalsContact O-N 3.1Å; V1160-E1164 HydrophobicContact CG1-CG 4.5Å; V1160-E1164 PolarHBondContact O-N 3.15Å; V1160-P1231 HydrophobicContact CG1-CB 4.43Å; V1160-P1231 HydrophobicContact CG1-CG 3.94Å; V1160-P1231 HydrophobicContact CG2-CG 4.1Å; V1160-T1234 VanDerWaalsContact CG1-OG1 3.29Å; V1160-T1234 WeakPolarHBondContact CG1-OG1 3.45Å
1161Q92Very high87.5Confident101 Ų10153.4 Ų53.447%0.47230%0.304SS..Hα-helixtrans-62.3-33.2-179.6-71.5179.94.200112.9I1157 K1165I1157-Q1161 HydrophobicContact CG2-CG 4.18Å; I1157-Q1161 WeakPolarHBondContact O-CB 3.19Å; I1157-Q1161 WeakPolarHBondContact O-CG 3.36Å; I1157-Q1161 PolarHBondContact O-N 3.08Å; Q1161-K1165 WeakPolarHBondContact O-CB 3.22Å; Q1161-K1165 VanDerWaalsContact O-CG 3.26Å; Q1161-K1165 WeakPolarHBondContact O-CG 3.04Å; Q1161-K1165 PolarHBondContact O-N 3.29Å
1162A92.9Very high88.5Confident27 Ų2758.7 Ų58.722%0.22332%0.317CS..Hα-helixtrans-69.1-39.6174.400000112.1F1146 T1158 R1159 V1160 C1166F1146-A1162 HydrophobicContact CD2-CB 4.19Å; F1146-A1162 HydrophobicContact CE1-CB 4.06Å; F1146-A1162 HydrophobicContact CE2-CB 3.67Å; F1146-A1162 HydrophobicContact CZ-CB 3.6Å; T1158-A1162 WeakPolarHBondContact O-CB 3.36Å; T1158-A1162 PolarHBondContact O-N 3.4Å; R1159-A1162 PolarHBondContact O-N 3.43Å; V1160-A1162 VanDerWaalsContact C-N 3.28Å; V1160-A1162 PolarHBondContact O-N 2.91Å; A1162-C1166 PolarHBondContact O-N 3.21Å; A1162-C1166 VanDerWaalsContact O-N 3.11Å; A1162-C1166 PolarHBondContact O-SG 3.19Å
1163M94.4Very high89.6Confident0 Ų053 Ų530%028%0.283CS..Hα-helixtrans-62.9-50.7172.1-174.666.988.500111.1A1143 F1146 L1147 W1155 R1159 V1160 K1165 C1166 L1167 L1215 T1234A1143-M1163 HydrophobicContact CB-SD 4.09Å; F1146-M1163 HydrophobicContact CB-CE 3.75Å; F1146-M1163 HydrophobicContact CB-SD 4.4Å; L1147-M1163 HydrophobicContact CB-CE 4.17Å; W1155-M1163 HydrophobicContact CH2-CE 3.81Å; W1155-M1163 HydrophobicContact CZ3-CB 4.47Å; W1155-M1163 HydrophobicContact CZ3-CE 3.85Å; W1155-M1163 HydrophobicContact CZ3-CG 4.43Å; R1159-M1163 WeakPolarHBondContact O-CB 3.32Å; R1159-M1163 PolarHBondContact O-N 2.73Å; V1160-M1163 WeakPolarHBondContact O-CB 3.46Å; V1160-M1163 PolarHBondContact O-N 2.94Å; V1160-M1163 VanDerWaalsContact O-N 3.1Å; M1163-K1165 VanDerWaalsContact C-N 3.29Å; M1163-K1165 PolarHBondContact O-N 3.07Å; M1163-C1166 WeakPolarHBondContact O-CB 3.29Å; M1163-C1166 PolarHBondContact O-N 3.02Å; M1163-L1167 HydrophobicContact CG-CD1 3.92Å; M1163-L1167 HydrophobicContact CG-CG 4.25Å; M1163-L1167 WeakPolarHBondContact O-CG 3.28Å; M1163-L1167 PolarHBondContact O-N 3.42Å; M1163-L1167 HydrophobicContact SD-CD1 4.45Å; M1163-L1167 HydrophobicContact SD-CG 4.32Å; M1163-L1215 HydrophobicContact CE-CD2 4.47Å; M1163-L1215 HydrophobicContact CG-CD2 4.28Å; M1163-L1215 HydrophobicContact SD-CD2 4.42Å; M1163-T1234 HydrophobicContact CB-CG2 4.45Å; M1163-T1234 HydrophobicContact CG-CG2 4.01Å
1164E96.3Very high90.2Very high19 Ų1951.5 Ų51.59%0.08927%0.267CS..Hα-helixtrans-58.1-40.1179-69.3-167.6160.200112.4V1160 L1167 N1168 K1233 T1234 I1237V1160-E1164 HydrophobicContact CG1-CG 4.5Å; V1160-E1164 PolarHBondContact O-N 3.15Å; E1164-L1167 PolarHBondContact O-N 3.03Å; E1164-N1168 WeakPolarHBondContact O-CB 3.42Å; E1164-N1168 PolarHBondContact O-N 2.99Å; E1164-N1168 PolarHBondContact O-ND2 3.01Å; E1164-K1233 WeakPolarHBondContact OE1-CD 3.37Å; E1164-K1233 WeakPolarHBondContact OE1-CG 3.44Å; E1164-K1233 IonicContact OE1-NZ 3.98Å; E1164-K1233 WeakPolarHBondContact OE2-CE 3.25Å; E1164-K1233 IonicContact OE2-NZ 3.68Å; E1164-K1233 PolarHBondContact OE2-NZ 3.34Å; E1164-T1234 HydrophobicContact CG-CG2 4.03Å; E1164-T1234 VanDerWaalsContact CG-OG1 3.27Å; E1164-T1234 WeakPolarHBondContact CG-OG1 3.26Å; E1164-T1234 PolarHBondContact OE1-N 3.47Å; E1164-T1234 PolarHBondContact OE1-OG1 3.39Å; E1164-I1237 HydrophobicContact CB-CD1 4.13Å; E1164-I1237 HydrophobicContact CG-CD1 3.83Å
1165K94.5Very high90.2Very high153 Ų15349.5 Ų49.567%0.66526%0.255SS*.Hα-helixtrans-63.3-39173.9-76.2172.1179.9177.60112.3Q1161 M1163 G1169Q1161-K1165 WeakPolarHBondContact O-CB 3.22Å; Q1161-K1165 VanDerWaalsContact O-CG 3.26Å; Q1161-K1165 WeakPolarHBondContact O-CG 3.04Å; Q1161-K1165 PolarHBondContact O-N 3.29Å; M1163-K1165 VanDerWaalsContact C-N 3.29Å; M1163-K1165 PolarHBondContact O-N 3.07Å; K1165-G1169 PolarHBondContact O-N 3.38Å
1166C95.9Very high89.3Confident9 Ų954.2 Ų54.26%0.06128%0.281CS..Hα-helixtrans-68.2-44.4176.8-65.50000112.2A1143 A1162 M1163 G1169 L1170A1143-C1166 HydrophobicContact CB-CB 4.44Å; A1162-C1166 PolarHBondContact O-N 3.21Å; A1162-C1166 VanDerWaalsContact O-N 3.11Å; A1162-C1166 PolarHBondContact O-SG 3.19Å; M1163-C1166 WeakPolarHBondContact O-CB 3.29Å; M1163-C1166 PolarHBondContact O-N 3.02Å; C1166-G1169 PolarHBondContact O-N 3.15Å; C1166-L1170 WeakPolarHBondContact O-CG 3.19Å; C1166-L1170 PolarHBondContact O-N 3.2Å
1167L95.7Very high87.5Confident0 Ų055.5 Ų55.50%029%0.285CS..Hα-helixtrans-66.6-43.2-179.9-62.5173.3000112.1M1163 E1164 G1169 L1170 L1171 L1212 L1215 T1234 I1237 A1238 L1241M1163-L1167 HydrophobicContact CG-CD1 3.92Å; M1163-L1167 HydrophobicContact CG-CG 4.25Å; M1163-L1167 WeakPolarHBondContact O-CG 3.28Å; M1163-L1167 PolarHBondContact O-N 3.42Å; M1163-L1167 HydrophobicContact SD-CD1 4.45Å; M1163-L1167 HydrophobicContact SD-CG 4.32Å; E1164-L1167 PolarHBondContact O-N 3.03Å; L1167-G1169 VanDerWaalsContact C-N 3.32Å; L1167-G1169 PolarHBondContact O-N 2.88Å; L1167-L1170 PolarHBondContact O-N 3.01Å; L1167-L1171 WeakPolarHBondContact O-CB 3.38Å; L1167-L1171 PolarHBondContact O-N 3.41Å; L1167-L1212 HydrophobicContact CD2-CD2 3.63Å; L1167-L1215 HydrophobicContact CD1-CD2 3.89Å; L1167-T1234 HydrophobicContact CD1-CG2 4.28Å; L1167-I1237 HydrophobicContact CB-CG2 3.58Å; L1167-I1237 HydrophobicContact CD1-CG2 4.25Å; L1167-A1238 HydrophobicContact CD1-CB 4.28Å; L1167-L1241 HydrophobicContact CB-CD2 4.41Å; L1167-L1241 HydrophobicContact CD2-CD2 4.07Å
1168N93.5Very high85.3Confident74 Ų7456 Ų5640%0.39628%0.284SS..Hα-helixtrans-66.5-33.5174.5-76.4-79.7000112.3E1164 L1170 L1171 R1172E1164-N1168 WeakPolarHBondContact O-CB 3.42Å; E1164-N1168 PolarHBondContact O-N 2.99Å; E1164-N1168 PolarHBondContact O-ND2 3.01Å; N1168-L1170 VanDerWaalsContact C-N 3.35Å; N1168-L1171 PolarHBondContact O-N 3.35Å; N1168-R1172 WeakPolarHBondContact O-CB 3.46Å; N1168-R1172 PolarHBondContact O-N 3.4Å
1169G92.4Very high82.7Confident18 Ų1855.2 Ų55.219%0.18628%0.283CS..Hα-helixtrans-60.9-42.7172.300000112.5K1165 C1166 L1167 C1173K1165-G1169 PolarHBondContact O-N 3.38Å; C1166-G1169 PolarHBondContact O-N 3.15Å; L1167-G1169 VanDerWaalsContact C-N 3.32Å; L1167-G1169 PolarHBondContact O-N 2.88Å; G1169-C1173 PolarHBondContact O-N 3.33Å; G1169-C1173 PolarHBondContact O-SG 3.27Å
1170L93.2Very high79.8Confident0 Ų063.7 Ų63.70%032%0.32CS..Hα-helixtrans-68.2-43.8175.5-69.5166.7000112L1136 L1139 I1140 C1166 L1167 N1168 R1172 C1173 I1174 L1208 L1241L1136-L1170 HydrophobicContact CD2-CD2 3.92Å; L1139-L1170 HydrophobicContact CB-CD1 4.36Å; L1139-L1170 HydrophobicContact CB-CD2 3.71Å; L1139-L1170 HydrophobicContact CB-CG 3.86Å; L1139-L1170 HydrophobicContact CD1-CD2 3.98Å; L1139-L1170 HydrophobicContact CD1-CG 4.1Å; I1140-L1170 HydrophobicContact CG1-CD1 4.35Å; I1140-L1170 HydrophobicContact CG1-CD2 3.95Å; C1166-L1170 WeakPolarHBondContact O-CG 3.19Å; C1166-L1170 PolarHBondContact O-N 3.2Å; L1167-L1170 PolarHBondContact O-N 3.01Å; N1168-L1170 VanDerWaalsContact C-N 3.35Å; L1170-R1172 VanDerWaalsContact C-N 3.31Å; L1170-R1172 PolarHBondContact O-N 3.13Å; L1170-C1173 PolarHBondContact O-N 3.11Å; L1170-I1174 WeakPolarHBondContact O-CG1 3.48Å; L1170-I1174 PolarHBondContact O-N 3.16Å; L1170-L1208 HydrophobicContact CD1-CD1 3.65Å; L1170-L1208 HydrophobicContact CD1-CD2 3.99Å; L1170-L1208 HydrophobicContact CD1-CG 4.5Å; L1170-L1208 HydrophobicContact CD2-CD2 4.43Å; L1170-L1241 HydrophobicContact CB-CD1 4.44Å; L1170-L1241 HydrophobicContact CB-CD2 3.85Å; L1170-L1241 HydrophobicContact CD1-CD2 4.4Å
1171L90.9Very high76.8Confident35 Ų3568.7 Ų68.718%0.18335%0.351CS..Hα-helixtrans-58.2-42.2177.2-173.862.9000112L1167 N1168 C1173 I1174 S1175 L1241 T1244L1167-L1171 WeakPolarHBondContact O-CB 3.38Å; L1167-L1171 PolarHBondContact O-N 3.41Å; N1168-L1171 PolarHBondContact O-N 3.35Å; L1171-C1173 VanDerWaalsContact C-N 3.27Å; L1171-C1173 PolarHBondContact O-N 2.88Å; L1171-I1174 PolarHBondContact O-N 2.94Å; L1171-S1175 WeakPolarHBondContact CD1-OG 3.45Å; L1171-S1175 WeakPolarHBondContact O-CB 3.29Å; L1171-S1175 PolarHBondContact O-N 3.06Å; L1171-S1175 PolarHBondContact O-OG 3.11Å; L1171-L1241 HydrophobicContact CB-CD1 4.1Å; L1171-L1241 HydrophobicContact CD1-CB 4.44Å; L1171-L1241 HydrophobicContact CD1-CD1 3.98Å; L1171-T1244 HydrophobicContact CD1-CG2 4.4Å
1172R87.5Confident73.7Confident195 Ų19572.1 Ų72.174%0.73637%0.367SS*.Hα-helixtrans-63.7-26.1175.4171.9172.1-87-160.2-7.6114N1168 L1170N1168-R1172 WeakPolarHBondContact O-CB 3.46Å; N1168-R1172 PolarHBondContact O-N 3.4Å; L1170-R1172 VanDerWaalsContact C-N 3.31Å; L1170-R1172 PolarHBondContact O-N 3.13Å
1173C85.2Confident70.7Confident13 Ų1377.2 Ų77.29%0.08840%0.397CS..Hα-helixtrans-87.5-13.8177.7-55.20000113.1L1136 G1169 L1170 L1171L1136-C1173 HydrophobicContact CD2-CB 3.63Å; G1169-C1173 PolarHBondContact O-N 3.33Å; G1169-C1173 PolarHBondContact O-SG 3.27Å; L1170-C1173 PolarHBondContact O-N 3.11Å; L1171-C1173 VanDerWaalsContact C-N 3.27Å; L1171-C1173 PolarHBondContact O-N 2.88Å
1174I82.5Confident67.7Low1 Ų184.5 Ų84.51%0.00544%0.435CS..Hα-helixtrans-111.3-29-171-69.4170.7000112.3L1170 L1171 Q1200 C1203 L1208 L1241 T1244 I1245L1170-I1174 WeakPolarHBondContact O-CG1 3.48Å; L1170-I1174 PolarHBondContact O-N 3.16Å; L1171-I1174 PolarHBondContact O-N 2.94Å; I1174-Q1200 HydrophobicContact CG1-CG 4.48Å; I1174-Q1200 HydrophobicContact CG2-CG 3.78Å; I1174-C1203 HydrophobicContact CD1-CB 4.24Å; I1174-L1208 HydrophobicContact CD1-CD2 4.31Å; I1174-L1241 HydrophobicContact CD1-CD1 4.13Å; I1174-T1244 HydrophobicContact CG2-CG2 3.94Å; I1174-I1245 HydrophobicContact CD1-CD1 3.99Å; I1174-I1245 HydrophobicContact CD1-CG1 4Å; I1174-I1245 HydrophobicContact CG2-CG1 3.99Å
1175S79.6Confident64.4Low34 Ų3492 Ų9224%0.23848%0.475CS..  trans-80.3140178.6-67.90000112.7L1171 D1177L1171-S1175 WeakPolarHBondContact CD1-OG 3.45Å; L1171-S1175 WeakPolarHBondContact O-CB 3.29Å; L1171-S1175 PolarHBondContact O-N 3.06Å; L1171-S1175 PolarHBondContact O-OG 3.11Å; S1175-D1177 PolarHBondContact O-N 2.89Å
1176N64.3Low61.5Low113 Ų11388.6 Ų88.660%0.60447%0.47SS*.  trans-74-1.9176.7-659.3000114.6Q1178 N1196N1176-Q1178 PolarHBondContact O-N 3.01Å; N1176-Q1178 VanDerWaalsContact O-N 3.09Å; N1176-N1196 PolarHBondContact OD1-ND2 3.31Å
1177D49Very low58.5Low121 Ų12196.1 Ų96.165%0.64751%0.51SS*.  trans-86.583.2-169-169.412.4000113.3S1175 S1179S1175-D1177 PolarHBondContact O-N 2.89Å; D1177-S1179 WeakPolarHBondContact OD1-CB 3.21Å; D1177-S1179 PolarHBondContact OD1-N 2.88Å; D1177-S1179 PolarHBondContact OD1-OG 3.24Å
1178Q40.6Very low55.6Low134 Ų134100 Ų10063%0.62653%0.53SS*.  trans-109.828.5169.3-72.9-86.24000111.7N1176 K1180N1176-Q1178 PolarHBondContact O-N 3.01Å; N1176-Q1178 VanDerWaalsContact O-N 3.09Å; Q1178-K1180 PolarHBondContact O-N 3.35Å
1179S34.6Very low52.8Low88 Ų88103.7 Ų103.762%0.61555%0.545SS*.THydrogen-bonded Turntrans-71.36-166.160.90000117.1D1177D1177-S1179 WeakPolarHBondContact OD1-CB 3.21Å; D1177-S1179 PolarHBondContact OD1-N 2.88Å; D1177-S1179 PolarHBondContact OD1-OG 3.24Å
1180K29.7Very low50.2Low194 Ų194109.6 Ų109.684%0.84357%0.572SS**THydrogen-bonded Turntrans-137.121.4-164.9-71.8-176179.71690117.1Q1178Q1178-K1180 PolarHBondContact O-N 3.35Å
1181T27.9Very low47.9Very low113 Ų113115.9 Ų115.969%0.69360%0.602SS**SBendtrans-115.5122.3168.247.90000111.4
1182H26.9Very low45.7Very low174 Ų174117.4 Ų117.481%0.80662%0.616SS**  trans-14.3127.2-178.5-78.8-93.7000118I1184H1182-I1184 PolarHBondContact O-N 2.96Å
1183P29.2Very low44.1Very low133 Ų133114.4 Ų114.486%0.86461%0.61SS**  trans-67.8119.1174.528.9-33.9000111.2
1184I31.7Very low42.7Very low153 Ų153116.5 Ų116.579%0.78563%0.625SS**  trans-125.8130.3163.5-60.8179.6000106.4H1182 S1186H1182-I1184 PolarHBondContact O-N 2.96Å; I1184-S1186 PolarHBondContact O-N 3.4Å
1185L28.6Very low41.6Very low178 Ų178118.2 Ų118.293%0.93264%0.635SS**  trans-60.1120.5-169-66.1156.6000113.1
1186S32Very low41.3Very low80 Ų80118.1 Ų118.156%0.55963%0.632SS**  trans-172.2145.4152.249.90000110.9I1184 N1188I1184-S1186 PolarHBondContact O-N 3.4Å; S1186-N1188 VanDerWaalsContact C-N 3.27Å; S1186-N1188 PolarHBondContact O-N 2.94Å; S1186-N1188 PolarHBondContact OG-ND2 3.04Å
1187D32.7Very low42Very low168 Ų168116.7 Ų116.790%0.89862%0.624SS**  trans-81.547.4-162.5-51.8-86.6000115.3
1188N35.1Very low43.5Very low80 Ų80111.9 Ų111.943%0.42860%0.6SS.*  trans-97.416.9-165.9-71.9-44000116.6S1186 N1190 S1192S1186-N1188 VanDerWaalsContact C-N 3.27Å; S1186-N1188 PolarHBondContact O-N 2.94Å; S1186-N1188 PolarHBondContact OG-ND2 3.04Å; N1188-N1190 PolarHBondContact O-N 2.87Å; N1188-S1192 PolarHBondContact O-N 3.43Å; N1188-S1192 PolarHBondContact O-OG 3.44Å
1189E36.2Very low45.6Very low152 Ų152105.5 Ų105.571%0.7157%0.57SS**Hα-helixtrans-55.3-51.9177-77.3-75124.500112.1Q1191 S1192E1189-Q1191 PolarHBondContact O-N 2.71Å; E1189-S1192 WeakPolarHBondContact O-CB 3.48Å; E1189-S1192 PolarHBondContact O-N 2.9Å
1190N36.9Very low48Very low142 Ų142101.6 Ų101.676%0.75954%0.542SS*.Hα-helixtrans-63.8-39.8-174.6-69.7-9.1000112.8N1188 S1192N1188-N1190 PolarHBondContact O-N 2.87Å; N1190-S1192 VanDerWaalsContact C-N 3.29Å; N1190-S1192 PolarHBondContact O-N 3.46Å
1191Q44.9Very low50.5Low132 Ų13296.3 Ų96.362%0.61752%0.52SS*.Hα-helixtrans-67.3-34.5-179.8-162.817181.800110.8E1189 Q1193 S1194 V1195E1189-Q1191 PolarHBondContact O-N 2.71Å; Q1191-Q1193 PolarHBondContact O-N 3.34Å; Q1191-S1194 PolarHBondContact O-N 3.04Å; Q1191-S1194 PolarHBondContact O-OG 2.92Å; Q1191-V1195 PolarHBondContact O-N 3.48Å
1192S44.6Very low53.2Low68 Ų6891 Ų9148%0.47649%0.487SS..Hα-helixtrans-62.8-39.2-179.4-58.70000113.2N1188 E1189 N1190 N1196N1188-S1192 PolarHBondContact O-N 3.43Å; N1188-S1192 PolarHBondContact O-OG 3.44Å; E1189-S1192 WeakPolarHBondContact O-CB 3.48Å; E1189-S1192 PolarHBondContact O-N 2.9Å; N1190-S1192 VanDerWaalsContact C-N 3.29Å; N1190-S1192 PolarHBondContact O-N 3.46Å; S1192-N1196 PolarHBondContact O-N 3Å
1193Q53.1Low56.1Low131 Ų13182.7 Ų82.761%0.61245%0.449SS*.Hα-helixtrans-67.2-38.6176.7-65.5-168.1900112.8Q1191 V1195 N1196 L1197Q1191-Q1193 PolarHBondContact O-N 3.34Å; Q1193-V1195 VanDerWaalsContact C-N 3.35Å; Q1193-V1195 PolarHBondContact O-N 3.47Å; Q1193-N1196 PolarHBondContact O-N 3.42Å; Q1193-L1197 PolarHBondContact O-N 3.09Å
1194S56.4Low58.7Low58 Ų5877.4 Ų77.441%0.40641%0.414SS..Hα-helixtrans-63-38.9178.670.50000113Q1191 L1197 S1198Q1191-S1194 PolarHBondContact O-N 3.04Å; Q1191-S1194 PolarHBondContact O-OG 2.92Å; S1194-L1197 PolarHBondContact O-N 3.05Å; S1194-S1198 PolarHBondContact O-N 3.24Å; S1194-S1198 VanDerWaalsContact O-N 3.14Å
1195V60.4Low61.1Low37 Ų3771.9 Ų71.922%0.22439%0.39CS..Hα-helixtrans-62.6-48.7180171.60000110.1P1131 Q1191 Q1193 L1197 S1198 D1199P1131-V1195 HydrophobicContact CG-CG1 3.8Å; P1131-V1195 HydrophobicContact CG-CG2 4.22Å; Q1191-V1195 PolarHBondContact O-N 3.48Å; Q1193-V1195 VanDerWaalsContact C-N 3.35Å; Q1193-V1195 PolarHBondContact O-N 3.47Å; V1195-L1197 VanDerWaalsContact C-N 3.32Å; V1195-L1197 PolarHBondContact O-N 3.13Å; V1195-S1198 PolarHBondContact O-N 2.83Å; V1195-S1198 VanDerWaalsContact O-N 3.13Å; V1195-S1198 PolarHBondContact O-OG 2.82Å; V1195-D1199 PolarHBondContact O-N 3.3Å
1196N73.3Confident63.8Low31 Ų3165.2 Ų65.217%0.16636%0.356CS..Hα-helixtrans-61.3-37.8-178.2-70.56000112.7N1176 S1192 Q1193 D1199 Q1200N1176-N1196 PolarHBondContact OD1-ND2 3.31Å; S1192-N1196 PolarHBondContact O-N 3Å; Q1193-N1196 PolarHBondContact O-N 3.42Å; N1196-D1199 PolarHBondContact O-N 2.76Å; N1196-Q1200 VanDerWaalsContact O-CG 3.24Å; N1196-Q1200 WeakPolarHBondContact O-CG 3.37Å; N1196-Q1200 PolarHBondContact O-N 3.49Å; N1196-Q1200 PolarHBondContact O-NE2 3.14Å
1197L77.4Confident66.4Low84 Ų8462.3 Ų62.344%0.4434%0.338SS..Hα-helixtrans-66.9-41.1176-173.465.2000111.8Q1193 S1194 V1195 Q1200 Q1201Q1193-L1197 PolarHBondContact O-N 3.09Å; S1194-L1197 PolarHBondContact O-N 3.05Å; V1195-L1197 VanDerWaalsContact C-N 3.32Å; V1195-L1197 PolarHBondContact O-N 3.13Å; L1197-Q1200 PolarHBondContact O-N 3.37Å; L1197-Q1201 WeakPolarHBondContact O-CG 3.28Å; L1197-Q1201 PolarHBondContact O-N 3.15Å; L1197-Q1201 VanDerWaalsContact O-N 3.1Å
1198S80.6Confident69.2Low19 Ų1954.3 Ų54.313%0.13330%0.296CS..Hα-helixtrans-65.7-39.517673.20000112.3S1130 S1194 V1195 Q1200 Q1201 V1202S1130-S1198 WeakPolarHBondContact CB-OG 3.39Å; S1194-S1198 PolarHBondContact O-N 3.24Å; S1194-S1198 VanDerWaalsContact O-N 3.14Å; V1195-S1198 PolarHBondContact O-N 2.83Å; V1195-S1198 VanDerWaalsContact O-N 3.13Å; V1195-S1198 PolarHBondContact O-OG 2.82Å; S1198-Q1200 PolarHBondContact O-N 3.4Å; S1198-Q1201 PolarHBondContact O-N 2.87Å; S1198-V1202 WeakPolarHBondContact O-CG2 3.24Å; S1198-V1202 PolarHBondContact O-N 3.08Å
1199D85.8Confident71.9Confident0 Ų050.7 Ų50.70%028%0.276CS..Hα-helixtrans-62.5-40.7175.3-87.410.4000112.1S1130 N1132 L1136 V1195 N1196 V1202 C1203S1130-D1199 WeakPolarHBondContact CB-OD1 3.16Å; S1130-D1199 PolarHBondContact OG-OD1 2.96Å; N1132-D1199 VanDerWaalsContact CB-OD2 3.3Å; N1132-D1199 WeakPolarHBondContact CB-OD2 3.33Å; N1132-D1199 PolarHBondContact ND2-OD2 3.15Å; L1136-D1199 HydrophobicContact CD1-CB 3.79Å; V1195-D1199 PolarHBondContact O-N 3.3Å; N1196-D1199 PolarHBondContact O-N 2.76Å; D1199-V1202 PolarHBondContact O-N 2.99Å; D1199-C1203 WeakPolarHBondContact O-CB 3.38Å; D1199-C1203 PolarHBondContact O-N 3.47Å; D1199-C1203 PolarHBondContact O-SG 2.98Å
1200Q84.3Confident74.4Confident7 Ų745.7 Ų45.73%0.03326%0.258CS..Hα-helixtrans-61.5-45172.6-70.8161.72400112I1174 N1196 L1197 S1198 C1203 L1204 S1248 N1249I1174-Q1200 HydrophobicContact CG1-CG 4.48Å; I1174-Q1200 HydrophobicContact CG2-CG 3.78Å; N1196-Q1200 VanDerWaalsContact O-CG 3.24Å; N1196-Q1200 WeakPolarHBondContact O-CG 3.37Å; N1196-Q1200 PolarHBondContact O-N 3.49Å; N1196-Q1200 PolarHBondContact O-NE2 3.14Å; L1197-Q1200 PolarHBondContact O-N 3.37Å; S1198-Q1200 PolarHBondContact O-N 3.4Å; Q1200-C1203 WeakPolarHBondContact O-CB 2.79Å; Q1200-C1203 PolarHBondContact O-N 3.46Å; Q1200-C1203 VanDerWaalsContact O-N 3.17Å; Q1200-L1204 WeakPolarHBondContact O-CG 3.43Å; Q1200-L1204 PolarHBondContact O-N 2.63Å; Q1200-S1248 PolarHBondContact NE2-OG 2.74Å; Q1200-S1248 PolarHBondContact OE1-OG 3.34Å; Q1200-N1249 PolarHBondContact OE1-ND2 2.88Å
1201Q82.1Confident77.1Confident83 Ų8339 Ų3939%0.38822%0.223SC..Hα-helixtrans-61.9-43.7177.9-69.7171.9-1.800111.7P1128 L1197 S1198 C1203 L1204 A1205P1128-Q1201 HydrophobicContact CG-CB 4.04Å; L1197-Q1201 WeakPolarHBondContact O-CG 3.28Å; L1197-Q1201 PolarHBondContact O-N 3.15Å; L1197-Q1201 VanDerWaalsContact O-N 3.1Å; S1198-Q1201 PolarHBondContact O-N 2.87Å; Q1201-C1203 VanDerWaalsContact C-N 3.3Å; Q1201-C1203 PolarHBondContact O-N 2.92Å; Q1201-L1204 PolarHBondContact O-N 3.11Å; Q1201-A1205 WeakPolarHBondContact O-CB 3.37Å; Q1201-A1205 PolarHBondContact O-N 3.47Å
1202V85.8Confident79.5Confident0 Ų032.8 Ų32.80%019%0.193CC..Hα-helixtrans-59.1-41.4173.5173.60000111.1I1127 K1133 L1136 S1198 D1199 N1206I1127-V1202 HydrophobicContact CG2-CG1 4.4Å; I1127-V1202 HydrophobicContact CG2-CG2 3.97Å; K1133-V1202 HydrophobicContact CG-CG1 4.41Å; K1133-V1202 HydrophobicContact CG-CG2 4.46Å; L1136-V1202 HydrophobicContact CB-CG1 4.28Å; L1136-V1202 HydrophobicContact CD1-CB 4.06Å; L1136-V1202 HydrophobicContact CD1-CG1 3.99Å; S1198-V1202 WeakPolarHBondContact O-CG2 3.24Å; S1198-V1202 PolarHBondContact O-N 3.08Å; D1199-V1202 PolarHBondContact O-N 2.99Å; V1202-N1206 WeakPolarHBondContact O-CB 3.43Å; V1202-N1206 PolarHBondContact O-N 2.81Å; V1202-N1206 PolarHBondContact O-ND2 3.1Å
1203C87.3Confident81.8Confident1 Ų129.5 Ų29.51%0.00717%0.171CC..Hα-helixtrans-67.2-38.5178.8-70.50000113.6I1140 I1174 D1199 Q1200 Q1201 G1207 L1208I1140-C1203 HydrophobicContact CD1-CB 4.3Å; I1174-C1203 HydrophobicContact CD1-CB 4.24Å; D1199-C1203 WeakPolarHBondContact O-CB 3.38Å; D1199-C1203 PolarHBondContact O-N 3.47Å; D1199-C1203 PolarHBondContact O-SG 2.98Å; Q1200-C1203 WeakPolarHBondContact O-CB 2.79Å; Q1200-C1203 PolarHBondContact O-N 3.46Å; Q1200-C1203 VanDerWaalsContact O-N 3.17Å; Q1201-C1203 VanDerWaalsContact C-N 3.3Å; Q1201-C1203 PolarHBondContact O-N 2.92Å; C1203-G1207 PolarHBondContact O-N 3.48Å; C1203-L1208 HydrophobicContact CB-CB 4.25Å; C1203-L1208 HydrophobicContact CB-CD2 3.85Å; C1203-L1208 VanDerWaalsContact O-CB 3.25Å; C1203-L1208 WeakPolarHBondContact O-CB 3.41Å; C1203-L1208 PolarHBondContact O-N 3.22Å
1204L84.1Confident83.6Confident22 Ų2226.8 Ų26.812%0.11516%0.16CC..Hα-helixtrans-68.2-49.8175.7-69.3172.3000111.7Q1200 Q1201 N1206 G1207 L1209 I1245 N1249 A1252Q1200-L1204 WeakPolarHBondContact O-CG 3.43Å; Q1200-L1204 PolarHBondContact O-N 2.63Å; Q1201-L1204 PolarHBondContact O-N 3.11Å; L1204-N1206 PolarHBondContact O-N 3.36Å; L1204-N1206 VanDerWaalsContact O-N 3.15Å; L1204-G1207 PolarHBondContact O-N 2.66Å; L1204-L1209 HydrophobicContact CD2-CB 4.39Å; L1204-L1209 HydrophobicContact CD2-CD2 4.33Å; L1204-I1245 HydrophobicContact CD2-CG2 3.98Å; L1204-N1249 HydrophobicContact CD1-CB 4.36Å; L1204-N1249 WeakPolarHBondContact CD1-OD1 3.47Å; L1204-A1252 HydrophobicContact CD1-CB 3.92Å; L1204-A1252 HydrophobicContact CD2-CB 3.58Å; L1204-A1252 HydrophobicContact CG-CB 4.36Å
1205A82.1Confident85.4Confident36 Ų3624 Ų2430%0.29814%0.141SC..Hα-helixtrans-58.3-30.1179.700000113Q1201Q1201-A1205 WeakPolarHBondContact O-CB 3.37Å; Q1201-A1205 PolarHBondContact O-N 3.47Å
1206N85Confident87Confident38 Ų3822.3 Ų22.320%0.20313%0.13CC..THydrogen-bonded Turntrans-91.25.1177.6-72.5-83.7000114.1L1137 I1140 R1144 V1202 L1204L1137-N1206 HydrophobicContact CD2-CB 4.33Å; L1137-N1206 WeakPolarHBondContact CD2-OD1 3.4Å; I1140-N1206 HydrophobicContact CD1-CB 4.01Å; I1140-N1206 HydrophobicContact CG2-CB 4.3Å; R1144-N1206 PolarHBondContact NH2-O 3.3Å; V1202-N1206 WeakPolarHBondContact O-CB 3.43Å; V1202-N1206 PolarHBondContact O-N 2.81Å; V1202-N1206 PolarHBondContact O-ND2 3.1Å; L1204-N1206 PolarHBondContact O-N 3.36Å; L1204-N1206 VanDerWaalsContact O-N 3.15Å
1207G85.3Confident87.8Confident19 Ų1921.1 Ų21.120%0.19613%0.125CC..THydrogen-bonded Turntrans73.334172.500000114.5R1144 C1203 L1204 L1209 S1210R1144-G1207 PolarHBondContact NH2-O 2.9Å; R1144-G1207 VanDerWaalsContact NH2-O 3.16Å; C1203-G1207 PolarHBondContact O-N 3.48Å; L1204-G1207 PolarHBondContact O-N 2.66Å; G1207-L1209 PolarHBondContact O-N 3.32Å; G1207-S1210 PolarHBondContact O-N 2.7Å
1208L92.1Very high88.4Confident1 Ų117.8 Ų17.81%0.00511%0.108CC..Hα-helixtrans-57.2-40.4171.8175.856.1000111.3I1140 L1170 I1174 C1203 S1210 I1211 L1212 I1245I1140-L1208 HydrophobicContact CD1-CB 4.37Å; I1140-L1208 HydrophobicContact CG1-CB 4.38Å; I1140-L1208 HydrophobicContact CG1-CD1 4.49Å; L1170-L1208 HydrophobicContact CD1-CD1 3.65Å; L1170-L1208 HydrophobicContact CD1-CD2 3.99Å; L1170-L1208 HydrophobicContact CD1-CG 4.5Å; L1170-L1208 HydrophobicContact CD2-CD2 4.43Å; I1174-L1208 HydrophobicContact CD1-CD2 4.31Å; C1203-L1208 HydrophobicContact CB-CB 4.25Å; C1203-L1208 HydrophobicContact CB-CD2 3.85Å; C1203-L1208 VanDerWaalsContact O-CB 3.25Å; C1203-L1208 WeakPolarHBondContact O-CB 3.41Å; C1203-L1208 PolarHBondContact O-N 3.22Å; L1208-S1210 VanDerWaalsContact C-N 3.28Å; L1208-S1210 PolarHBondContact O-N 3.36Å; L1208-I1211 WeakPolarHBondContact O-CA 3.47Å; L1208-I1211 WeakPolarHBondContact O-CB 3.32Å; L1208-I1211 PolarHBondContact O-N 2.8Å; L1208-L1212 HydrophobicContact CD1-CD1 4.41Å; L1208-L1212 HydrophobicContact CD1-CD2 4.25Å; L1208-L1212 HydrophobicContact CD1-CG 4.09Å; L1208-L1212 HydrophobicContact CG-CD1 4.12Å; L1208-L1212 HydrophobicContact CG-CG 4.27Å; L1208-L1212 PolarHBondContact O-N 3.21Å; L1208-I1245 HydrophobicContact CD2-CD1 3.67Å; L1208-I1245 HydrophobicContact CG-CD1 4.31Å
1209L91.3Very high88.7Confident3 Ų317 Ų172%0.01610%0.103CC..Hα-helixtrans-54.3-41.1-179.5-169.763.1000113L1204 G1207 V1213 L1242 H1255 M1256L1204-L1209 HydrophobicContact CD2-CB 4.39Å; L1204-L1209 HydrophobicContact CD2-CD2 4.33Å; G1207-L1209 PolarHBondContact O-N 3.32Å; L1209-V1213 VanDerWaalsContact O-CG2 3.31Å; L1209-V1213 WeakPolarHBondContact O-CG2 3.33Å; L1209-V1213 PolarHBondContact O-N 3.09Å; L1209-V1213 VanDerWaalsContact O-N 3.13Å; L1209-L1242 HydrophobicContact CD1-CD1 3.49Å; L1209-L1242 VanDerWaalsContact CD1-CD1 3.49Å; L1209-H1255 HydrophobicContact CD2-CB 3.89Å; L1209-M1256 HydrophobicContact CD1-CG 3.83Å; L1209-M1256 HydrophobicContact CD1-SD 3.62Å; L1209-M1256 HydrophobicContact CD2-CG 3.86Å; L1209-M1256 HydrophobicContact CD2-SD 3.97Å; L1209-M1256 HydrophobicContact CG-CG 4.14Å; L1209-M1256 HydrophobicContact CG-SD 3.71Å
1210S90Very high88.8Confident47 Ų4722 Ų2233%0.32912%0.121SC..Hα-helixtrans-69.5-35.6175.2173.70000112.6G1207 L1208 N1214G1207-S1210 PolarHBondContact O-N 2.7Å; L1208-S1210 VanDerWaalsContact C-N 3.28Å; L1208-S1210 PolarHBondContact O-N 3.36Å; S1210-N1214 VanDerWaalsContact O-CB 3.22Å; S1210-N1214 WeakPolarHBondContact O-CB 3.34Å; S1210-N1214 PolarHBondContact O-N 2.87Å; S1210-N1214 PolarHBondContact O-ND2 2.72Å; S1210-N1214 PolarHBondContact O-OD1 3.16Å; S1210-N1214 PolarHBondContact OG-ND2 2.87Å
1211I92.9Very high88.4Confident3 Ų327.5 Ų27.52%0.01515%0.147CC..Hα-helixtrans-63.7-44.6176.6-57.8168.4000110.1I1140 A1143 R1144 L1147 L1208 L1215I1140-I1211 HydrophobicContact CG2-CD1 3.75Å; A1143-I1211 HydrophobicContact CB-CG2 4.13Å; R1144-I1211 HydrophobicContact CB-CD1 3.79Å; R1144-I1211 HydrophobicContact CB-CG1 4.29Å; L1147-I1211 HydrophobicContact CD2-CG2 4.1Å; L1208-I1211 WeakPolarHBondContact O-CA 3.47Å; L1208-I1211 WeakPolarHBondContact O-CB 3.32Å; L1208-I1211 PolarHBondContact O-N 2.8Å; I1211-L1215 VanDerWaalsContact O-CB 3.26Å; I1211-L1215 WeakPolarHBondContact O-CB 3.1Å; I1211-L1215 PolarHBondContact O-N 3.37Å
1212L94.9Very high88Confident0 Ų026 Ų260%014%0.14CC..Hα-helixtrans-64.3-47.1179.2-60.7175.6000111.8L1167 L1208 L1215 I1216 A1238 L1241 L1242 I1245L1167-L1212 HydrophobicContact CD2-CD2 3.63Å; L1208-L1212 HydrophobicContact CD1-CD1 4.41Å; L1208-L1212 HydrophobicContact CD1-CD2 4.25Å; L1208-L1212 HydrophobicContact CD1-CG 4.09Å; L1208-L1212 HydrophobicContact CG-CD1 4.12Å; L1208-L1212 HydrophobicContact CG-CG 4.27Å; L1208-L1212 PolarHBondContact O-N 3.21Å; L1212-L1215 PolarHBondContact O-N 3.21Å; L1212-I1216 WeakPolarHBondContact O-CG1 3.27Å; L1212-I1216 PolarHBondContact O-N 2.95Å; L1212-A1238 HydrophobicContact CD2-CB 4.28Å; L1212-L1241 HydrophobicContact CD1-CB 4.43Å; L1212-L1241 HydrophobicContact CD1-CD2 4.34Å; L1212-L1241 HydrophobicContact CD1-CG 3.97Å; L1212-L1241 HydrophobicContact CD2-CD2 3.93Å; L1212-L1241 HydrophobicContact CD2-CG 4.32Å; L1212-L1242 HydrophobicContact CD1-CB 4.25Å; L1212-I1245 HydrophobicContact CD1-CD1 4.03Å
1213V94Very high87.1Confident0 Ų033.1 Ų33.10%017%0.171CC..Hα-helixtrans-67.4-38.2-179.8173.90000111.8L1209 G1217 L1242 M1256 N1261 I1264L1209-V1213 VanDerWaalsContact O-CG2 3.31Å; L1209-V1213 WeakPolarHBondContact O-CG2 3.33Å; L1209-V1213 PolarHBondContact O-N 3.09Å; L1209-V1213 VanDerWaalsContact O-N 3.13Å; V1213-G1217 WeakPolarHBondContact O-CA 3.28Å; V1213-G1217 PolarHBondContact O-N 3.11Å; V1213-L1242 HydrophobicContact CG2-CD1 4.47Å; V1213-M1256 HydrophobicContact CG2-CE 3.74Å; V1213-M1256 HydrophobicContact CG2-SD 3.68Å; V1213-N1261 HydrophobicContact CB-CB 4.46Å; V1213-N1261 HydrophobicContact CG1-CB 3.96Å; V1213-N1261 HydrophobicContact CG2-CB 4.1Å; V1213-I1264 HydrophobicContact CG1-CB 3.92Å; V1213-I1264 HydrophobicContact CG1-CD1 3.71Å; V1213-I1264 HydrophobicContact CG1-CG1 4.38Å; V1213-I1264 HydrophobicContact CG1-CG2 4.06Å
1214N91.5Very high85.8Confident74 Ų7438.4 Ų38.440%0.39621%0.205SC..Hα-helixtrans-69.6-37.8176.1-70.4-4.8000111.7L1147 S1210 G1217 L1218L1147-N1214 HydrophobicContact CD2-CB 3.78Å; S1210-N1214 VanDerWaalsContact O-CB 3.22Å; S1210-N1214 WeakPolarHBondContact O-CB 3.34Å; S1210-N1214 PolarHBondContact O-N 2.87Å; S1210-N1214 PolarHBondContact O-ND2 2.72Å; S1210-N1214 PolarHBondContact O-OD1 3.16Å; S1210-N1214 PolarHBondContact OG-ND2 2.87Å; N1214-G1217 WeakPolarHBondContact O-CA 3.25Å; N1214-G1217 PolarHBondContact O-N 3.31Å; N1214-G1217 VanDerWaalsContact O-N 3.16Å; N1214-L1218 PolarHBondContact O-N 3.48Å
1215L93.4Very high84.5Confident0 Ų043.2 Ų43.20%024%0.241CC..Hα-helixtrans-60.4-49.6172.817658.9000111.1L1147 W1155 M1163 L1167 I1211 L1212 G1217 L1218 Y1235 A1238L1147-L1215 HydrophobicContact CD1-CB 4.22Å; L1147-L1215 HydrophobicContact CD1-CD1 4.35Å; W1155-L1215 HydrophobicContact CH2-CD1 3.81Å; W1155-L1215 HydrophobicContact CZ3-CD1 4.17Å; M1163-L1215 HydrophobicContact CE-CD2 4.47Å; M1163-L1215 HydrophobicContact CG-CD2 4.28Å; M1163-L1215 HydrophobicContact SD-CD2 4.42Å; L1167-L1215 HydrophobicContact CD1-CD2 3.89Å; I1211-L1215 VanDerWaalsContact O-CB 3.26Å; I1211-L1215 WeakPolarHBondContact O-CB 3.1Å; I1211-L1215 PolarHBondContact O-N 3.37Å; L1212-L1215 PolarHBondContact O-N 3.21Å; L1215-G1217 PolarHBondContact O-N 2.89Å; L1215-L1218 HydrophobicContact CD1-CD1 4.17Å; L1215-L1218 WeakPolarHBondContact O-CB 3.3Å; L1215-L1218 WeakPolarHBondContact O-CG 3.2Å; L1215-L1218 PolarHBondContact O-N 2.89Å; L1215-Y1235 WeakPolarHBondContact O-CE1 3.33Å; L1215-A1238 HydrophobicContact CD2-CB 3.9Å
1216I92.9Very high83.7Confident0 Ų043.8 Ų43.80%024%0.243CC..Hα-helixtrans-62.4-32173.6-67.2164.9000111.2L1212 L1218 I1219 A1238 L1242 L1265 C1268 L1320L1212-I1216 WeakPolarHBondContact O-CG1 3.27Å; L1212-I1216 PolarHBondContact O-N 2.95Å; I1216-L1218 PolarHBondContact O-N 3.03Å; I1216-I1219 HydrophobicContact CG2-CD1 4.32Å; I1216-I1219 WeakPolarHBondContact O-CB 3.42Å; I1216-I1219 WeakPolarHBondContact O-CD1 3.1Å; I1216-I1219 WeakPolarHBondContact O-CG1 3.18Å; I1216-I1219 PolarHBondContact O-N 3.45Å; I1216-A1238 HydrophobicContact CD1-CB 4.37Å; I1216-A1238 HydrophobicContact CG1-CB 4.21Å; I1216-L1242 HydrophobicContact CD1-CD2 3.91Å; I1216-L1265 HydrophobicContact CD1-CD2 4.43Å; I1216-L1265 HydrophobicContact CG2-CD2 4.01Å; I1216-C1268 PolarHBondContact O-SG 2.71Å; I1216-C1268 VanDerWaalsContact O-SG 3.34Å; I1216-L1320 HydrophobicContact CG2-CD1 3.74Å
1217G90.8Very high82.7Confident6 Ų650.6 Ų50.66%0.06227%0.27CS..Hα-helixtrans-62.7-20.4178.300000115.1V1213 N1214 L1215 I1219 R1220V1213-G1217 WeakPolarHBondContact O-CA 3.28Å; V1213-G1217 PolarHBondContact O-N 3.11Å; N1214-G1217 WeakPolarHBondContact O-CA 3.25Å; N1214-G1217 PolarHBondContact O-N 3.31Å; N1214-G1217 VanDerWaalsContact O-N 3.16Å; L1215-G1217 PolarHBondContact O-N 2.89Å; G1217-I1219 PolarHBondContact O-N 3.26Å; G1217-R1220 WeakPolarHBondContact O-CB 3.02Å; G1217-R1220 PolarHBondContact O-N 3.23Å; G1217-R1220 VanDerWaalsContact O-N 3.11Å
1218L89.9Confident81.9Confident15 Ų1552.3 Ų52.38%0.07927%0.273CS..G310 helixtrans-63.5-21.2175.6-64.5179000113.2L1147 W1155 N1214 L1215 I1216 R1220 E1221 Q1222 L1229 V1230 Y1235L1147-L1218 HydrophobicContact CD1-CD1 4.26Å; W1155-L1218 HydrophobicContact CH2-CD1 4.26Å; W1155-L1218 HydrophobicContact CZ2-CD1 3.65Å; N1214-L1218 PolarHBondContact O-N 3.48Å; L1215-L1218 HydrophobicContact CD1-CD1 4.17Å; L1215-L1218 WeakPolarHBondContact O-CB 3.3Å; L1215-L1218 WeakPolarHBondContact O-CG 3.2Å; L1215-L1218 PolarHBondContact O-N 2.89Å; I1216-L1218 PolarHBondContact O-N 3.03Å; L1218-R1220 PolarHBondContact O-N 2.73Å; L1218-R1220 VanDerWaalsContact O-N 3.15Å; L1218-E1221 PolarHBondContact O-N 2.91Å; L1218-Q1222 PolarHBondContact O-N 3.28Å; L1218-L1229 HydrophobicContact CB-CD2 4.27Å; L1218-L1229 HydrophobicContact CD1-CD2 4.49Å; L1218-L1229 HydrophobicContact CD2-CD2 4.39Å; L1218-V1230 HydrophobicContact CD1-CG2 3.81Å; L1218-Y1235 HydrophobicContact CB-CE1 4.46Å
1219I87.7Confident81.3Confident3 Ų353.4 Ų53.42%0.01528%0.279CS..G310 helixtrans-54.1-31.9171.4-67.4171.5000111.4I1216 G1217 E1221 Y1235 C1268 Q1272I1216-I1219 HydrophobicContact CG2-CD1 4.32Å; I1216-I1219 WeakPolarHBondContact O-CB 3.42Å; I1216-I1219 WeakPolarHBondContact O-CD1 3.1Å; I1216-I1219 WeakPolarHBondContact O-CG1 3.18Å; I1216-I1219 PolarHBondContact O-N 3.45Å; G1217-I1219 PolarHBondContact O-N 3.26Å; I1219-E1221 VanDerWaalsContact C-N 3.26Å; I1219-E1221 PolarHBondContact O-N 3Å; I1219-Y1235 HydrophobicContact CD1-CD2 4.32Å; I1219-Y1235 HydrophobicContact CD1-CE2 4.4Å; I1219-Y1235 HydrophobicContact CD1-CG 4.4Å; I1219-Y1235 HydrophobicContact CG1-CD1 4.47Å; I1219-Y1235 HydrophobicContact CG1-CD2 4.24Å; I1219-Y1235 HydrophobicContact CG1-CE1 4.07Å; I1219-Y1235 HydrophobicContact CG1-CE2 3.82Å; I1219-C1268 HydrophobicContact CB-CB 4.35Å; I1219-C1268 HydrophobicContact CD1-CB 4.45Å; I1219-C1268 HydrophobicContact CG2-CB 4.21Å; I1219-Q1272 HydrophobicContact CG2-CG 3.99Å
1220R86.7Confident81Confident104 Ų10453.2 Ų53.239%0.39228%0.278SS..G310 helixtrans-71.7-16.1179.2-64.7157.355.7-90.2-7.1114.1G1217 L1218 D1267 I1271G1217-R1220 WeakPolarHBondContact O-CB 3.02Å; G1217-R1220 PolarHBondContact O-N 3.23Å; G1217-R1220 VanDerWaalsContact O-N 3.11Å; L1218-R1220 PolarHBondContact O-N 2.73Å; L1218-R1220 VanDerWaalsContact O-N 3.15Å; R1220-D1267 HydrophobicContact CG-CB 4.15Å; R1220-D1267 IonicContact NE-OD2 2.73Å; R1220-D1267 PolarHBondContact NE-OD2 2.95Å; R1220-I1271 HydrophobicContact CB-CD1 4.01Å; R1220-I1271 HydrophobicContact CG-CD1 3.78Å
1221E77.7Confident80.8Confident123 Ų12353.6 Ų53.658%0.57528%0.279SS*.THydrogen-bonded Turntrans-106.9-11.6-172.6-59-174.8-176.800112.3L1218 I1219 K1223L1218-E1221 PolarHBondContact O-N 2.91Å; I1219-E1221 VanDerWaalsContact C-N 3.26Å; I1219-E1221 PolarHBondContact O-N 3Å; E1221-K1223 PolarHBondContact O-N 3.48Å
1222Q72.8Confident80.4Confident50 Ų5054 Ų5423%0.23428%0.281CS..  trans-65121.4172.7-177.5174.4-21.400111L1218L1218-Q1222 PolarHBondContact O-N 3.28Å
1223K67.5Low80Confident151 Ų15160.1 Ų60.166%0.65731%0.308SS*.  trans-72.5138.7173.8-63.4176.4-178.7175.10109.5E1221 S1225 S1226E1221-K1223 PolarHBondContact O-N 3.48Å; K1223-S1225 PolarHBondContact O-N 2.82Å; K1223-S1226 PolarHBondContact N-OG 3.44Å; K1223-S1226 PolarHBondContact O-N 2.96Å; K1223-S1226 PolarHBondContact O-OG 3.37Å
1224P60Low80Confident112 Ų11260.1 Ų60.173%0.72731%0.308SS*.THydrogen-bonded Turntrans-57.4-24.4-174.6-27.935.1000115.9L1275P1224-L1275 HydrophobicContact CB-CD2 3.96Å; P1224-L1275 HydrophobicContact CG-CD2 4.02Å
1225S56.5Low80Confident122 Ų12256.6 Ų56.685%0.85329%0.289SS*.THydrogen-bonded Turntrans-102.37.1178.754.40000114.3K1223K1223-S1225 PolarHBondContact O-N 2.82Å
1226S65.2Low80Confident49 Ų4961.2 Ų61.234%0.34331%0.306SS..SBendtrans-99.9151-176.265.50000113.1K1223K1223-S1226 PolarHBondContact N-OG 3.44Å; K1223-S1226 PolarHBondContact O-N 2.96Å; K1223-S1226 PolarHBondContact O-OG 3.37Å
1227K63.9Low80Confident180 Ų18062 Ų6278%0.78331%0.311SS*.PPolyproline II helixtrans-56.2137.4168.2-65.8-175.2178-175.70109.2P1154 L1229P1154-K1227 HydrophobicContact CG-CB 4.14Å; K1227-L1229 PolarHBondContact O-N 3.48Å
1228Q68.1Low80.3Confident55 Ų5561.8 Ų61.826%0.25731%0.308SS..PPolyproline II helixtrans-52.9128.4-176.5-156.5-177.936.200111V1230Q1228-V1230 VanDerWaalsContact CD-O 3.3Å; Q1228-V1230 VanDerWaalsContact CG-O 3.31Å; Q1228-V1230 WeakPolarHBondContact CG-O 2.91Å; Q1228-V1230 PolarHBondContact OE1-O 2.89Å
1229L78.8Confident80.5Confident24 Ų2461 Ų6113%0.12630%0.304CS..SBendtrans-65.3-42.6-173.9177.960.2000112G1153 W1155 L1218 K1227G1153-L1229 VanDerWaalsContact O-CD1 3.24Å; G1153-L1229 WeakPolarHBondContact O-CD1 3.28Å; W1155-L1229 PolarHBondContact N-O 3.37Å; L1218-L1229 HydrophobicContact CB-CD2 4.27Å; L1218-L1229 HydrophobicContact CD1-CD2 4.49Å; L1218-L1229 HydrophobicContact CD2-CD2 4.39Å; K1227-L1229 PolarHBondContact O-N 3.48Å
1230V85.5Confident80.7Confident0 Ų063 Ų630%032%0.317CS..SBendtrans-128.2131.1175.1-1710000107.7W1155 L1218 Q1228 E1232 T1234 Y1235W1155-V1230 HydrophobicContact CD2-CG2 3.69Å; W1155-V1230 HydrophobicContact CE3-CG1 4.09Å; W1155-V1230 HydrophobicContact CE3-CG2 3.95Å; W1155-V1230 HydrophobicContact CG-CG2 4.12Å; W1155-V1230 HydrophobicContact CH2-CG2 4.37Å; W1155-V1230 HydrophobicContact CZ2-CG2 4.13Å; W1155-V1230 HydrophobicContact CZ3-CG1 4.36Å; W1155-V1230 HydrophobicContact CZ3-CG2 4.28Å; L1218-V1230 HydrophobicContact CD1-CG2 3.81Å; Q1228-V1230 VanDerWaalsContact CD-O 3.3Å; Q1228-V1230 VanDerWaalsContact CG-O 3.31Å; Q1228-V1230 WeakPolarHBondContact CG-O 2.91Å; Q1228-V1230 PolarHBondContact OE1-O 2.89Å; V1230-E1232 PolarHBondContact O-N 2.68Å; V1230-T1234 HydrophobicContact CG1-CG2 3.93Å; V1230-Y1235 HydrophobicContact CB-CE1 4.02Å; V1230-Y1235 HydrophobicContact CB-CE2 4.34Å; V1230-Y1235 HydrophobicContact CG2-CE1 4.37Å; V1230-Y1235 WeakPolarHBondContact O-CE2 3.46Å
1231P86Confident81Confident54 Ų5458 Ų5835%0.35130%0.298SS..  trans-58.5136.9178.7-2938.5000113V1160 K1233 T1234V1160-P1231 HydrophobicContact CG1-CB 4.43Å; V1160-P1231 HydrophobicContact CG1-CG 3.94Å; V1160-P1231 HydrophobicContact CG2-CG 4.1Å; P1231-K1233 VanDerWaalsContact C-N 3.26Å; P1231-K1233 PolarHBondContact O-N 3Å; P1231-K1233 VanDerWaalsContact O-N 3.09Å; P1231-T1234 WeakPolarHBondContact O-CB 3.21Å; P1231-T1234 PolarHBondContact O-N 3.41Å
1232E83.7Confident81.7Confident13 Ų1352.2 Ų52.26%0.06127%0.271CS..Hα-helixtrans-49.6-41.8-172.4-169.8-176.6177.700114.7V1230 T1234 Y1235 R1236 S1312 N1313 C1316V1230-E1232 PolarHBondContact O-N 2.68Å; E1232-T1234 PolarHBondContact O-N 3.43Å; E1232-T1234 VanDerWaalsContact O-N 3.1Å; E1232-Y1235 WeakPolarHBondContact O-CA 3.34Å; E1232-Y1235 WeakPolarHBondContact O-CB 3.38Å; E1232-Y1235 PolarHBondContact O-N 3.15Å; E1232-R1236 HydrophobicContact CG-CG 4.36Å; E1232-R1236 WeakPolarHBondContact O-CG 3.02Å; E1232-R1236 PolarHBondContact O-N 3.31Å; E1232-S1312 VanDerWaalsContact CD-C 3.48Å; E1232-S1312 WeakPolarHBondContact OE2-CB 3.39Å; E1232-S1312 PolarHBondContact OE2-OG 2.93Å; E1232-N1313 VanDerWaalsContact OE1-CA 3.31Å; E1232-N1313 WeakPolarHBondContact OE1-CA 2.98Å; E1232-N1313 VanDerWaalsContact OE2-CA 3.28Å; E1232-N1313 WeakPolarHBondContact OE2-CA 3.45Å; E1232-N1313 PolarHBondContact OE2-N 3.22Å; E1232-C1316 HydrophobicContact CG-CB 3.48Å; E1232-C1316 VanDerWaalsContact CG-CB 3.48Å; E1232-C1316 WeakPolarHBondContact OE1-CB 3.35Å; E1232-C1316 PolarHBondContact OE1-N 3Å
1233K88.4Confident82.6Confident127 Ų12752.9 Ų52.955%0.55227%0.274SS*.Hα-helixtrans-49.8-37.4176.9-176.9-170.4168.6-144.90112.6E1164 P1231 R1236 I1237E1164-K1233 WeakPolarHBondContact OE1-CD 3.37Å; E1164-K1233 WeakPolarHBondContact OE1-CG 3.44Å; E1164-K1233 IonicContact OE1-NZ 3.98Å; E1164-K1233 WeakPolarHBondContact OE2-CE 3.25Å; E1164-K1233 IonicContact OE2-NZ 3.68Å; E1164-K1233 PolarHBondContact OE2-NZ 3.34Å; P1231-K1233 VanDerWaalsContact C-N 3.26Å; P1231-K1233 PolarHBondContact O-N 3Å; P1231-K1233 VanDerWaalsContact O-N 3.09Å; K1233-R1236 PolarHBondContact O-N 3.27Å; K1233-I1237 HydrophobicContact CG-CD1 4.13Å; K1233-I1237 WeakPolarHBondContact O-CD1 3.46Å; K1233-I1237 VanDerWaalsContact O-CG1 3.27Å; K1233-I1237 WeakPolarHBondContact O-CG1 3.26Å; K1233-I1237 PolarHBondContact O-N 2.98Å
1234T92Very high83.6Confident0 Ų047.5 Ų47.50%026%0.255CS..Hα-helixtrans-71.3-37.2178.5-51.70000112V1160 M1163 E1164 L1167 V1230 P1231 E1232 A1238V1160-T1234 VanDerWaalsContact CG1-OG1 3.29Å; V1160-T1234 WeakPolarHBondContact CG1-OG1 3.45Å; M1163-T1234 HydrophobicContact CB-CG2 4.45Å; M1163-T1234 HydrophobicContact CG-CG2 4.01Å; E1164-T1234 HydrophobicContact CG-CG2 4.03Å; E1164-T1234 VanDerWaalsContact CG-OG1 3.27Å; E1164-T1234 WeakPolarHBondContact CG-OG1 3.26Å; E1164-T1234 PolarHBondContact OE1-N 3.47Å; E1164-T1234 PolarHBondContact OE1-OG1 3.39Å; L1167-T1234 HydrophobicContact CD1-CG2 4.28Å; V1230-T1234 HydrophobicContact CG1-CG2 3.93Å; P1231-T1234 WeakPolarHBondContact O-CB 3.21Å; P1231-T1234 PolarHBondContact O-N 3.41Å; E1232-T1234 PolarHBondContact O-N 3.43Å; E1232-T1234 VanDerWaalsContact O-N 3.1Å; T1234-A1238 PolarHBondContact O-N 2.96Å; T1234-A1238 VanDerWaalsContact O-N 3.12Å
1235Y92.9Very high84.9Confident1 Ų142.3 Ų42.30%0.00422%0.22CC..Hα-helixtrans-64.4-43.5170.1-62.7-48.9000111.2L1215 L1218 I1219 V1230 E1232 I1237 A1238 C1239 C1316L1215-Y1235 WeakPolarHBondContact O-CE1 3.33Å; L1218-Y1235 HydrophobicContact CB-CE1 4.46Å; I1219-Y1235 HydrophobicContact CD1-CD2 4.32Å; I1219-Y1235 HydrophobicContact CD1-CE2 4.4Å; I1219-Y1235 HydrophobicContact CD1-CG 4.4Å; I1219-Y1235 HydrophobicContact CG1-CD1 4.47Å; I1219-Y1235 HydrophobicContact CG1-CD2 4.24Å; I1219-Y1235 HydrophobicContact CG1-CE1 4.07Å; I1219-Y1235 HydrophobicContact CG1-CE2 3.82Å; V1230-Y1235 HydrophobicContact CB-CE1 4.02Å; V1230-Y1235 HydrophobicContact CB-CE2 4.34Å; V1230-Y1235 HydrophobicContact CG2-CE1 4.37Å; V1230-Y1235 WeakPolarHBondContact O-CE2 3.46Å; E1232-Y1235 WeakPolarHBondContact O-CA 3.34Å; E1232-Y1235 WeakPolarHBondContact O-CB 3.38Å; E1232-Y1235 PolarHBondContact O-N 3.15Å; Y1235-I1237 PolarHBondContact O-N 2.68Å; Y1235-A1238 CarbonylContact O-C 3.58Å; Y1235-A1238 WeakPolarHBondContact O-CA 3.38Å; Y1235-A1238 WeakPolarHBondContact O-CB 3.48Å; Y1235-A1238 PolarHBondContact O-N 3.27Å; Y1235-A1238 VanDerWaalsContact O-N 3.07Å; Y1235-C1239 PolarHBondContact O-N 2.99Å; Y1235-C1239 PolarHBondContact O-SG 2.86Å; Y1235-C1316 WeakPolarHBondContact CB-SG 3.39Å
1236R93.2Very high86.3Confident96 Ų9636.9 Ų36.936%0.36218%0.183SC..Hα-helixtrans-56.1-48.1176.5-61.1-164.768.9-114-24.1111.9E1232 K1233 A1238 C1239 C1240 C1316 D1319E1232-R1236 HydrophobicContact CG-CG 4.36Å; E1232-R1236 WeakPolarHBondContact O-CG 3.02Å; E1232-R1236 PolarHBondContact O-N 3.31Å; K1233-R1236 PolarHBondContact O-N 3.27Å; R1236-A1238 VanDerWaalsContact C-N 3.29Å; R1236-A1238 PolarHBondContact O-N 3.3Å; R1236-C1239 WeakPolarHBondContact O-CB 3.47Å; R1236-C1239 PolarHBondContact O-N 3.29Å; R1236-C1240 PolarHBondContact O-N 2.97Å; R1236-C1240 PolarHBondContact O-SG 3.41Å; R1236-C1316 HydrophobicContact CG-CB 4.17Å; R1236-D1319 VanDerWaalsContact CG-OD2 3.31Å; R1236-D1319 WeakPolarHBondContact CG-OD2 3.35Å; R1236-D1319 IonicContact CZ-OD2 2.69Å; R1236-D1319 IonicContact NE-OD2 3.6Å; R1236-D1319 PolarHBondContact NE-OD2 3.16Å; R1236-D1319 IonicContact NH2-OD1 3.83Å; R1236-D1319 PolarHBondContact NH2-OD1 3.42Å; R1236-D1319 VanDerWaalsContact NH2-OD1 3.08Å; R1236-D1319 IonicContact NH2-OD2 3.44Å; R1236-D1319 PolarHBondContact NH2-OD2 2.97Å
1237I93.7Very high87.2Confident18 Ų1838.8 Ų38.89%0.09219%0.192CC..Hα-helixtrans-60.7-38.8176.5-63156.5000111.1E1164 L1167 K1233 Y1235 L1241E1164-I1237 HydrophobicContact CB-CD1 4.13Å; E1164-I1237 HydrophobicContact CG-CD1 3.83Å; L1167-I1237 HydrophobicContact CB-CG2 3.58Å; L1167-I1237 HydrophobicContact CD1-CG2 4.25Å; K1233-I1237 HydrophobicContact CG-CD1 4.13Å; K1233-I1237 WeakPolarHBondContact O-CD1 3.46Å; K1233-I1237 VanDerWaalsContact O-CG1 3.27Å; K1233-I1237 WeakPolarHBondContact O-CG1 3.26Å; K1233-I1237 PolarHBondContact O-N 2.98Å; Y1235-I1237 PolarHBondContact O-N 2.68Å; I1237-L1241 WeakPolarHBondContact O-CB 3.38Å; I1237-L1241 PolarHBondContact O-N 3.3Å
1238A95.3Very high87.8Confident0 Ų032.8 Ų32.80%017%0.173CC..Hα-helixtrans-67-39.3175.800000112.7L1167 L1212 L1215 I1216 T1234 Y1235 R1236 L1242L1167-A1238 HydrophobicContact CD1-CB 4.28Å; L1212-A1238 HydrophobicContact CD2-CB 4.28Å; L1215-A1238 HydrophobicContact CD2-CB 3.9Å; I1216-A1238 HydrophobicContact CD1-CB 4.37Å; I1216-A1238 HydrophobicContact CG1-CB 4.21Å; T1234-A1238 PolarHBondContact O-N 2.96Å; T1234-A1238 VanDerWaalsContact O-N 3.12Å; Y1235-A1238 CarbonylContact O-C 3.58Å; Y1235-A1238 WeakPolarHBondContact O-CA 3.38Å; Y1235-A1238 WeakPolarHBondContact O-CB 3.48Å; Y1235-A1238 PolarHBondContact O-N 3.27Å; Y1235-A1238 VanDerWaalsContact O-N 3.07Å; R1236-A1238 VanDerWaalsContact C-N 3.29Å; R1236-A1238 PolarHBondContact O-N 3.3Å; A1238-L1242 VanDerWaalsContact O-CB 3.27Å; A1238-L1242 WeakPolarHBondContact O-CB 3.3Å; A1238-L1242 PolarHBondContact O-N 2.89Å
1239C94.2Very high88.4Confident0 Ų030.9 Ų30.90%017%0.165CC..Hα-helixtrans-63.5-48.9173-70.50000111.6Y1235 R1236 L1241 L1242 Q1243 D1319 C1323Y1235-C1239 PolarHBondContact O-N 2.99Å; Y1235-C1239 PolarHBondContact O-SG 2.86Å; R1236-C1239 WeakPolarHBondContact O-CB 3.47Å; R1236-C1239 PolarHBondContact O-N 3.29Å; C1239-L1241 VanDerWaalsContact C-N 3.33Å; C1239-L1241 PolarHBondContact O-N 3.43Å; C1239-L1242 WeakPolarHBondContact O-CB 3.32Å; C1239-L1242 PolarHBondContact O-N 3.24Å; C1239-Q1243 WeakPolarHBondContact O-CB 3.34Å; C1239-Q1243 PolarHBondContact O-N 3.3Å; C1239-D1319 HydrophobicContact CB-CB 3.82Å; C1239-C1323 PolarHBondContact O-SG 3.49Å
1240C92.2Very high88.5Confident43 Ų4334.4 Ų34.429%0.29118%0.182SC..Hα-helixtrans-56.5-46.6176.3-63.50000111.6R1236 Q1243 T1244R1236-C1240 PolarHBondContact O-N 2.97Å; R1236-C1240 PolarHBondContact O-SG 3.41Å; C1240-Q1243 PolarHBondContact O-N 3.37Å; C1240-T1244 PolarHBondContact O-N 3.41Å; C1240-T1244 PolarHBondContact O-OG1 3.23Å
1241L92.6Very high88.3Confident0 Ų037 Ų370%020%0.204CC..Hα-helixtrans-65.7-38.6178.3-17855.2000112.7L1167 L1170 L1171 I1174 L1212 I1237 C1239 I1245L1167-L1241 HydrophobicContact CB-CD2 4.41Å; L1167-L1241 HydrophobicContact CD2-CD2 4.07Å; L1170-L1241 HydrophobicContact CB-CD1 4.44Å; L1170-L1241 HydrophobicContact CB-CD2 3.85Å; L1170-L1241 HydrophobicContact CD1-CD2 4.4Å; L1171-L1241 HydrophobicContact CB-CD1 4.1Å; L1171-L1241 HydrophobicContact CD1-CB 4.44Å; L1171-L1241 HydrophobicContact CD1-CD1 3.98Å; I1174-L1241 HydrophobicContact CD1-CD1 4.13Å; L1212-L1241 HydrophobicContact CD1-CB 4.43Å; L1212-L1241 HydrophobicContact CD1-CD2 4.34Å; L1212-L1241 HydrophobicContact CD1-CG 3.97Å; L1212-L1241 HydrophobicContact CD2-CD2 3.93Å; L1212-L1241 HydrophobicContact CD2-CG 4.32Å; I1237-L1241 WeakPolarHBondContact O-CB 3.38Å; I1237-L1241 PolarHBondContact O-N 3.3Å; C1239-L1241 VanDerWaalsContact C-N 3.33Å; C1239-L1241 PolarHBondContact O-N 3.43Å; L1241-I1245 HydrophobicContact CD1-CD1 3.83Å; L1241-I1245 HydrophobicContact CD1-CG1 4.24Å; L1241-I1245 HydrophobicContact CG-CD1 3.98Å; L1241-I1245 WeakPolarHBondContact O-CB 3.42Å; L1241-I1245 WeakPolarHBondContact O-CD1 3.27Å; L1241-I1245 VanDerWaalsContact O-CG1 3.26Å; L1241-I1245 WeakPolarHBondContact O-CG1 3.43Å; L1241-I1245 PolarHBondContact O-N 3.28Å; L1241-I1245 VanDerWaalsContact O-N 3.1Å
1242L93.4Very high88.3Confident1 Ų134.4 Ų34.41%0.00519%0.187CC..Hα-helixtrans-62.5-44.5173.9178.563.9000111.4L1209 L1212 V1213 I1216 A1238 C1239 C1246 M1256 L1265 C1323L1209-L1242 HydrophobicContact CD1-CD1 3.49Å; L1209-L1242 VanDerWaalsContact CD1-CD1 3.49Å; L1212-L1242 HydrophobicContact CD1-CB 4.25Å; V1213-L1242 HydrophobicContact CG2-CD1 4.47Å; I1216-L1242 HydrophobicContact CD1-CD2 3.91Å; A1238-L1242 VanDerWaalsContact O-CB 3.27Å; A1238-L1242 WeakPolarHBondContact O-CB 3.3Å; A1238-L1242 PolarHBondContact O-N 2.89Å; C1239-L1242 WeakPolarHBondContact O-CB 3.32Å; C1239-L1242 PolarHBondContact O-N 3.24Å; L1242-C1246 WeakPolarHBondContact O-CB 3.47Å; L1242-C1246 PolarHBondContact O-N 3.42Å; L1242-C1246 PolarHBondContact O-SG 2.86Å; L1242-M1256 HydrophobicContact CD1-SD 4.41Å; L1242-L1265 HydrophobicContact CD2-CD1 4.15Å; L1242-L1265 HydrophobicContact CD2-CD2 4.13Å; L1242-C1323 HydrophobicContact CD2-CB 4.36Å
1243Q90.7Very high88.4Confident64 Ų6433.9 Ų33.930%0.29919%0.185SC..Hα-helixtrans-62.4-51176.4-177.5179.6-11.300111.2C1239 C1240 I1245 C1246 T1247 N1326C1239-Q1243 WeakPolarHBondContact O-CB 3.34Å; C1239-Q1243 PolarHBondContact O-N 3.3Å; C1240-Q1243 PolarHBondContact O-N 3.37Å; Q1243-I1245 VanDerWaalsContact C-N 3.31Å; Q1243-I1245 PolarHBondContact O-N 3.15Å; Q1243-C1246 PolarHBondContact O-N 2.96Å; Q1243-T1247 WeakPolarHBondContact O-CB 3.31Å; Q1243-T1247 PolarHBondContact O-N 3.39Å; Q1243-T1247 PolarHBondContact O-OG1 2.85Å; Q1243-T1247 VanDerWaalsContact O-OG1 3.11Å; Q1243-N1326 PolarHBondContact NE2-ND2 2.96Å
1244T89.2Confident88.3Confident39 Ų3929.1 Ų29.124%0.23917%0.165CC..Hα-helixtrans-55.1-46.3178.5-55.50000111.5L1171 I1174 C1240 S1248L1171-T1244 HydrophobicContact CD1-CG2 4.4Å; I1174-T1244 HydrophobicContact CG2-CG2 3.94Å; C1240-T1244 PolarHBondContact O-N 3.41Å; C1240-T1244 PolarHBondContact O-OG1 3.23Å; T1244-S1248 WeakPolarHBondContact O-CB 3.46Å; T1244-S1248 PolarHBondContact O-N 3.15Å; T1244-S1248 VanDerWaalsContact O-N 3.16Å; T1244-S1248 PolarHBondContact O-OG 2.88Å
1245I87.5Confident88Confident2 Ų230.3 Ų30.31%0.0117%0.171CC..Hα-helixtrans-65.8-44.6179.6-68.3165.8000111.6I1174 L1204 L1208 L1212 L1241 Q1243 S1248 N1249 A1252I1174-I1245 HydrophobicContact CD1-CD1 3.99Å; I1174-I1245 HydrophobicContact CD1-CG1 4Å; I1174-I1245 HydrophobicContact CG2-CG1 3.99Å; L1204-I1245 HydrophobicContact CD2-CG2 3.98Å; L1208-I1245 HydrophobicContact CD2-CD1 3.67Å; L1208-I1245 HydrophobicContact CG-CD1 4.31Å; L1212-I1245 HydrophobicContact CD1-CD1 4.03Å; L1241-I1245 HydrophobicContact CD1-CD1 3.83Å; L1241-I1245 HydrophobicContact CD1-CG1 4.24Å; L1241-I1245 HydrophobicContact CG-CD1 3.98Å; L1241-I1245 WeakPolarHBondContact O-CB 3.42Å; L1241-I1245 WeakPolarHBondContact O-CD1 3.27Å; L1241-I1245 VanDerWaalsContact O-CG1 3.26Å; L1241-I1245 WeakPolarHBondContact O-CG1 3.43Å; L1241-I1245 PolarHBondContact O-N 3.28Å; L1241-I1245 VanDerWaalsContact O-N 3.1Å; Q1243-I1245 VanDerWaalsContact C-N 3.31Å; Q1243-I1245 PolarHBondContact O-N 3.15Å; I1245-S1248 PolarHBondContact O-OG 2.82Å; I1245-N1249 VanDerWaalsContact O-CB 3.29Å; I1245-N1249 WeakPolarHBondContact O-CB 3.49Å; I1245-N1249 PolarHBondContact O-N 3.19Å; I1245-A1252 HydrophobicContact CG2-CB 3.69Å
1246C86.6Confident87.9Confident9 Ų930.3 Ų30.36%0.06117%0.171CC..Hα-helixtrans-77.3-27.1-174.9-61.40000113.7L1242 Q1243 S1253 L1327L1242-C1246 WeakPolarHBondContact O-CB 3.47Å; L1242-C1246 PolarHBondContact O-N 3.42Å; L1242-C1246 PolarHBondContact O-SG 2.86Å; Q1243-C1246 PolarHBondContact O-N 2.96Å; C1246-S1253 PolarHBondContact O-OG 3.15Å; C1246-S1253 VanDerWaalsContact O-OG 3.06Å; C1246-L1327 HydrophobicContact CB-CD2 3.85Å; C1246-L1327 HydrophobicContact CB-CG 4.48Å
1247T82.9Confident87.7Confident88 Ų8826.1 Ų26.154%0.5416%0.156SC..Hα-helixtrans-79.1-36.2175.9-61.70000112.2Q1243Q1243-T1247 WeakPolarHBondContact O-CB 3.31Å; Q1243-T1247 PolarHBondContact O-N 3.39Å; Q1243-T1247 PolarHBondContact O-OG1 2.85Å; Q1243-T1247 VanDerWaalsContact O-OG1 3.11Å
1248S77.2Confident87.5Confident55 Ų5526.8 Ų26.839%0.38516%0.159SC..Hα-helixtrans-81.7-29.4178.155.50000113.6Q1200 T1244 I1245Q1200-S1248 PolarHBondContact NE2-OG 2.74Å; Q1200-S1248 PolarHBondContact OE1-OG 3.34Å; T1244-S1248 WeakPolarHBondContact O-CB 3.46Å; T1244-S1248 PolarHBondContact O-N 3.15Å; T1244-S1248 VanDerWaalsContact O-N 3.16Å; T1244-S1248 PolarHBondContact O-OG 2.88Å; I1245-S1248 PolarHBondContact O-OG 2.82Å
1249N80.8Confident87.1Confident15 Ų1527.2 Ų27.28%0.0816%0.162CC..  trans-124.5108.8-171.6-160.9-61.3000112.6Q1200 L1204 I1245 A1251 A1252 S1253Q1200-N1249 PolarHBondContact OE1-ND2 2.88Å; L1204-N1249 HydrophobicContact CD1-CB 4.36Å; L1204-N1249 WeakPolarHBondContact CD1-OD1 3.47Å; I1245-N1249 VanDerWaalsContact O-CB 3.29Å; I1245-N1249 WeakPolarHBondContact O-CB 3.49Å; I1245-N1249 PolarHBondContact O-N 3.19Å; N1249-A1251 VanDerWaalsContact C-N 3.26Å; N1249-A1251 PolarHBondContact O-N 3.41Å; N1249-A1251 WeakPolarHBondContact OD1-CB 3.35Å; N1249-A1251 PolarHBondContact OD1-N 3.06Å; N1249-A1251 VanDerWaalsContact OD1-N 3.11Å; N1249-A1252 HydrophobicContact CB-CB 4.14Å; N1249-A1252 VanDerWaalsContact O-CB 3.27Å; N1249-A1252 WeakPolarHBondContact O-CB 3.44Å; N1249-A1252 PolarHBondContact O-N 3.49Å; N1249-A1252 VanDerWaalsContact O-N 3.09Å; N1249-A1252 PolarHBondContact OD1-N 3.18Å; N1249-S1253 PolarHBondContact O-N 3.38Å
1250I79.8Confident87Confident97 Ų9727.8 Ų27.850%0.49717%0.165SC..Hα-helixtrans-60.7-35.6-179.6-60.7176.5000111.5A1252 S1253 I1254 L1334I1250-A1252 VanDerWaalsContact C-N 3.29Å; I1250-A1252 PolarHBondContact O-N 3.02Å; I1250-S1253 WeakPolarHBondContact O-CB 3.18Å; I1250-S1253 PolarHBondContact O-N 2.85Å; I1250-S1253 VanDerWaalsContact O-N 3.14Å; I1250-I1254 HydrophobicContact CG2-CD1 4.24Å; I1250-I1254 WeakPolarHBondContact O-CG1 3.41Å; I1250-I1254 PolarHBondContact O-N 3.47Å; I1250-L1334 HydrophobicContact CG2-CB 4.46Å; I1250-L1334 HydrophobicContact CG2-CD1 4.1Å; I1250-L1334 HydrophobicContact CG2-CD2 3.92Å; I1250-L1334 HydrophobicContact CG2-CG 4.4Å
1251A81.3Confident87Confident54 Ų5426.4 Ų26.445%0.44616%0.155SC..Hα-helixtrans-67.3-28.2178.200000112.8N1249 I1254 H1255N1249-A1251 VanDerWaalsContact C-N 3.26Å; N1249-A1251 PolarHBondContact O-N 3.41Å; N1249-A1251 WeakPolarHBondContact OD1-CB 3.35Å; N1249-A1251 PolarHBondContact OD1-N 3.06Å; N1249-A1251 VanDerWaalsContact OD1-N 3.11Å; A1251-I1254 PolarHBondContact O-N 3.43Å; A1251-H1255 WeakPolarHBondContact O-CB 3.5Å; A1251-H1255 PolarHBondContact O-N 2.67Å
1252A86.5Confident87Confident0 Ų026.4 Ų26.40%016%0.155CC..Hα-helixtrans-63.2-44170.600000111.8L1204 I1245 N1249 I1250 H1255 M1256L1204-A1252 HydrophobicContact CD1-CB 3.92Å; L1204-A1252 HydrophobicContact CD2-CB 3.58Å; L1204-A1252 HydrophobicContact CG-CB 4.36Å; I1245-A1252 HydrophobicContact CG2-CB 3.69Å; N1249-A1252 HydrophobicContact CB-CB 4.14Å; N1249-A1252 VanDerWaalsContact O-CB 3.27Å; N1249-A1252 WeakPolarHBondContact O-CB 3.44Å; N1249-A1252 PolarHBondContact O-N 3.49Å; N1249-A1252 VanDerWaalsContact O-N 3.09Å; N1249-A1252 PolarHBondContact OD1-N 3.18Å; I1250-A1252 VanDerWaalsContact C-N 3.29Å; I1250-A1252 PolarHBondContact O-N 3.02Å; A1252-H1255 PolarHBondContact O-N 3.06Å; A1252-M1256 PolarHBondContact O-N 3.39Å
1253S86.5Confident87Confident3 Ų326.4 Ų26.42%0.02116%0.155CC..Hα-helixtrans-63.7-45.7175.4-72.30000111.2C1246 N1249 I1250 H1255 M1256 L1257 F1331C1246-S1253 PolarHBondContact O-OG 3.15Å; C1246-S1253 VanDerWaalsContact O-OG 3.06Å; N1249-S1253 PolarHBondContact O-N 3.38Å; I1250-S1253 WeakPolarHBondContact O-CB 3.18Å; I1250-S1253 PolarHBondContact O-N 2.85Å; I1250-S1253 VanDerWaalsContact O-N 3.14Å; S1253-H1255 VanDerWaalsContact C-N 3.33Å; S1253-H1255 PolarHBondContact O-N 3.11Å; S1253-M1256 WeakPolarHBondContact O-CB 3.43Å; S1253-M1256 PolarHBondContact O-N 2.95Å; S1253-M1256 VanDerWaalsContact O-N 3.17Å; S1253-L1257 PolarHBondContact O-N 3.33Å; S1253-L1257 VanDerWaalsContact O-N 3.13Å; S1253-F1331 WeakPolarHBondContact O-CE1 3.48Å
1254I85.3Confident87.1Confident27 Ų2724.9 Ų24.914%0.13815%0.149CC..Hα-helixtrans-55-48.5173.5-65.7170.3000110.8I1250 A1251 M1256 L1257 L1258 L1334 V1402I1250-I1254 HydrophobicContact CG2-CD1 4.24Å; I1250-I1254 WeakPolarHBondContact O-CG1 3.41Å; I1250-I1254 PolarHBondContact O-N 3.47Å; A1251-I1254 PolarHBondContact O-N 3.43Å; I1254-M1256 PolarHBondContact O-N 2.96Å; I1254-L1257 PolarHBondContact O-N 2.91Å; I1254-L1258 HydrophobicContact CG2-CD1 3.63Å; I1254-L1258 HydrophobicContact CG2-CG 4.14Å; I1254-L1258 WeakPolarHBondContact O-CG 3.45Å; I1254-L1258 PolarHBondContact O-N 3.09Å; I1254-L1334 HydrophobicContact CD1-CD2 3.59Å; I1254-L1334 HydrophobicContact CG1-CD2 3.34Å; I1254-V1402 HydrophobicContact CD1-CB 4.26Å
1255H86.5Confident87.3Confident25 Ų2523 Ų2312%0.11614%0.137CC..Hα-helixtrans-62.3-40.8178.6-172.1-52.1000112L1209 A1251 A1252 S1253 L1257 L1258 S1259L1209-H1255 HydrophobicContact CD2-CB 3.89Å; A1251-H1255 WeakPolarHBondContact O-CB 3.5Å; A1251-H1255 PolarHBondContact O-N 2.67Å; A1252-H1255 PolarHBondContact O-N 3.06Å; S1253-H1255 VanDerWaalsContact C-N 3.33Å; S1253-H1255 PolarHBondContact O-N 3.11Å; H1255-L1257 VanDerWaalsContact C-N 3.29Å; H1255-L1257 PolarHBondContact O-N 3.23Å; H1255-L1258 PolarHBondContact O-N 2.98Å; H1255-S1259 WeakPolarHBondContact O-CB 3.34Å; H1255-S1259 PolarHBondContact O-N 3.5Å; H1255-S1259 PolarHBondContact O-OG 2.93Å
1256M90.4Very high87.7Confident0 Ų023 Ų230%014%0.137CC..Hα-helixtrans-56-43.8175.8-83.9-59.9-73.800112.3L1209 V1213 L1242 A1252 S1253 I1254 N1261 V1262 L1265 L1327L1209-M1256 HydrophobicContact CD1-CG 3.83Å; L1209-M1256 HydrophobicContact CD1-SD 3.62Å; L1209-M1256 HydrophobicContact CD2-CG 3.86Å; L1209-M1256 HydrophobicContact CD2-SD 3.97Å; L1209-M1256 HydrophobicContact CG-CG 4.14Å; L1209-M1256 HydrophobicContact CG-SD 3.71Å; V1213-M1256 HydrophobicContact CG2-CE 3.74Å; V1213-M1256 HydrophobicContact CG2-SD 3.68Å; L1242-M1256 HydrophobicContact CD1-SD 4.41Å; A1252-M1256 PolarHBondContact O-N 3.39Å; S1253-M1256 WeakPolarHBondContact O-CB 3.43Å; S1253-M1256 PolarHBondContact O-N 2.95Å; S1253-M1256 VanDerWaalsContact O-N 3.17Å; I1254-M1256 PolarHBondContact O-N 2.96Å; M1256-N1261 HydrophobicContact CE-CB 3.66Å; M1256-N1261 PolarHBondContact O-N 2.89Å; M1256-N1261 VanDerWaalsContact O-N 3.09Å; M1256-N1261 HydrophobicContact SD-CB 3.47Å; M1256-N1261 WeakPolarHBondContact SD-CB 3.43Å; M1256-V1262 HydrophobicContact CB-CG2 4.07Å; M1256-V1262 HydrophobicContact CE-CG2 4.32Å; M1256-L1265 HydrophobicContact CE-CD1 3.75Å; M1256-L1265 HydrophobicContact CE-CG 4.32Å; M1256-L1327 HydrophobicContact CB-CD2 3.88Å; M1256-L1327 HydrophobicContact CE-CD1 3.83Å; M1256-L1327 HydrophobicContact CG-CD1 4.42Å; M1256-L1327 HydrophobicContact CG-CD2 3.85Å
1257L89.3Confident88Confident9 Ų923.7 Ų23.75%0.04714%0.14CC..Hα-helixtrans-69.1-51.5178.6-179.763.8000111.6S1253 I1254 H1255 S1259 N1260 F1331 I1404 L1409 L1412S1253-L1257 PolarHBondContact O-N 3.33Å; S1253-L1257 VanDerWaalsContact O-N 3.13Å; I1254-L1257 PolarHBondContact O-N 2.91Å; H1255-L1257 VanDerWaalsContact C-N 3.29Å; H1255-L1257 PolarHBondContact O-N 3.23Å; L1257-S1259 PolarHBondContact O-N 3.02Å; L1257-N1260 PolarHBondContact O-N 3.46Å; L1257-N1260 VanDerWaalsContact O-N 3.13Å; L1257-F1331 HydrophobicContact CB-CE1 3.9Å; L1257-F1331 HydrophobicContact CB-CZ 3.94Å; L1257-F1331 HydrophobicContact CD1-CE2 4.37Å; L1257-F1331 HydrophobicContact CD1-CZ 4.49Å; L1257-F1331 HydrophobicContact CD2-CD1 4.49Å; L1257-I1404 HydrophobicContact CD2-CD1 3.76Å; L1257-I1404 HydrophobicContact CD2-CG1 4.23Å; L1257-I1404 HydrophobicContact CD2-CG2 3.71Å; L1257-L1409 HydrophobicContact CD2-CD1 4.27Å; L1257-L1412 HydrophobicContact CD1-CB 4.32Å; L1257-L1412 HydrophobicContact CD1-CD2 3.59Å
1258L88.4Confident88.4Confident32 Ų3219.5 Ų19.517%0.16811%0.114CC..Hα-helixtrans-68.8-35.5-173.1-66.3-178000113.1G1113 F1116 I1254 H1255 N1260 R1408G1113-L1258 WeakPolarHBondContact CA-O 3.22Å; F1116-L1258 HydrophobicContact CB-CB 4.46Å; F1116-L1258 HydrophobicContact CD1-CB 3.7Å; F1116-L1258 HydrophobicContact CD2-CB 3.74Å; F1116-L1258 HydrophobicContact CD2-CD1 3.91Å; F1116-L1258 HydrophobicContact CD2-CG 4.43Å; F1116-L1258 HydrophobicContact CE1-CB 3.78Å; F1116-L1258 HydrophobicContact CE2-CB 3.82Å; F1116-L1258 HydrophobicContact CE2-CD1 3.55Å; F1116-L1258 HydrophobicContact CE2-CG 4.35Å; F1116-L1258 HydrophobicContact CG-CB 3.67Å; F1116-L1258 HydrophobicContact CZ-CB 3.84Å; F1116-L1258 HydrophobicContact CZ-CD1 4.06Å; I1254-L1258 HydrophobicContact CG2-CD1 3.63Å; I1254-L1258 HydrophobicContact CG2-CG 4.14Å; I1254-L1258 WeakPolarHBondContact O-CG 3.45Å; I1254-L1258 PolarHBondContact O-N 3.09Å; H1255-L1258 PolarHBondContact O-N 2.98Å; L1258-N1260 PolarHBondContact O-N 2.73Å; L1258-R1408 HydrophobicContact CD2-CG 4.38Å; L1258-R1408 PolarHBondContact O-NH1 3.04Å
1259S88.3Confident89.1Confident8 Ų816.9 Ų16.96%0.05610%0.096CC..THydrogen-bonded Turntrans-77.2-4174.379.60000114H1255 L1257 N1261H1255-S1259 WeakPolarHBondContact O-CB 3.34Å; H1255-S1259 PolarHBondContact O-N 3.5Å; H1255-S1259 PolarHBondContact O-OG 2.93Å; L1257-S1259 PolarHBondContact O-N 3.02Å; S1259-N1261 PolarHBondContact O-N 2.96Å; S1259-N1261 WeakPolarHBondContact OG-CB 3.42Å; S1259-N1261 PolarHBondContact OG-N 3.27Å; S1259-N1261 PolarHBondContact OG-ND2 3.33Å; S1259-N1261 PolarHBondContact OG-OD1 2.99Å; S1259-N1261 VanDerWaalsContact OG-OD1 3.1Å
1260N90.9Very high89.6Confident12 Ų1217.6 Ų17.66%0.06410%0.101CC..THydrogen-bonded Turntrans6119.4-172.8-165.538.5000115.4M1109 N1110 L1257 L1258 V1262 S1263M1109-N1260 WeakPolarHBondContact CB-ND2 3.5Å; M1109-N1260 VanDerWaalsContact CE-OD1 3.29Å; M1109-N1260 WeakPolarHBondContact CE-OD1 3.25Å; N1110-N1260 PolarHBondContact N-ND2 2.63Å; N1110-N1260 PolarHBondContact OD1-ND2 3.3Å; L1257-N1260 PolarHBondContact O-N 3.46Å; L1257-N1260 VanDerWaalsContact O-N 3.13Å; L1258-N1260 PolarHBondContact O-N 2.73Å; N1260-V1262 PolarHBondContact O-N 3.39Å; N1260-S1263 PolarHBondContact ND2-OG 2.95Å; N1260-S1263 VanDerWaalsContact ND2-OG 3.08Å; N1260-S1263 WeakPolarHBondContact O-CB 3.26Å; N1260-S1263 PolarHBondContact O-N 2.95Å; N1260-S1263 VanDerWaalsContact O-N 3.12Å; N1260-S1263 PolarHBondContact O-OG 2.74Å; N1260-S1263 WeakPolarHBondContact OD1-CB 3.39Å
1261N92.1Very high90Very high14 Ų1415.5 Ų15.58%0.0759%0.09CC..THydrogen-bonded Turntrans-62.2-28.8179-82.17.3000112.7V1213 M1256 S1259 S1263 I1264V1213-N1261 HydrophobicContact CB-CB 4.46Å; V1213-N1261 HydrophobicContact CG1-CB 3.96Å; V1213-N1261 HydrophobicContact CG2-CB 4.1Å; M1256-N1261 HydrophobicContact CE-CB 3.66Å; M1256-N1261 PolarHBondContact O-N 2.89Å; M1256-N1261 VanDerWaalsContact O-N 3.09Å; M1256-N1261 HydrophobicContact SD-CB 3.47Å; M1256-N1261 WeakPolarHBondContact SD-CB 3.43Å; S1259-N1261 PolarHBondContact O-N 2.96Å; S1259-N1261 WeakPolarHBondContact OG-CB 3.42Å; S1259-N1261 PolarHBondContact OG-N 3.27Å; S1259-N1261 PolarHBondContact OG-ND2 3.33Å; S1259-N1261 PolarHBondContact OG-OD1 2.99Å; S1259-N1261 VanDerWaalsContact OG-OD1 3.1Å; N1261-S1263 PolarHBondContact O-N 2.78Å; N1261-I1264 WeakPolarHBondContact O-CB 3.44Å; N1261-I1264 PolarHBondContact O-N 2.8Å
1262V93.1Very high90.3Very high1 Ų113.7 Ų13.71%0.0067%0.072CC..Hα-helixtrans-54.8-34.8175.1-169.90000111.9M1256 N1260 I1264 L1265 V1266 L1324 F1331 L1412M1256-V1262 HydrophobicContact CB-CG2 4.07Å; M1256-V1262 HydrophobicContact CE-CG2 4.32Å; N1260-V1262 PolarHBondContact O-N 3.39Å; V1262-I1264 PolarHBondContact O-N 2.88Å; V1262-L1265 PolarHBondContact O-N 2.83Å; V1262-L1265 VanDerWaalsContact O-N 3.12Å; V1262-V1266 PolarHBondContact O-N 3.39Å; V1262-V1266 VanDerWaalsContact O-N 3.15Å; V1262-L1324 HydrophobicContact CG1-CD1 3.45Å; V1262-L1324 VanDerWaalsContact CG1-CD1 3.45Å; V1262-F1331 HydrophobicContact CG2-CE2 4.22Å; V1262-F1331 HydrophobicContact CG2-CZ 3.87Å; V1262-L1412 HydrophobicContact CB-CD1 4.11Å; V1262-L1412 HydrophobicContact CB-CD2 4.4Å; V1262-L1412 HydrophobicContact CG1-CD1 3.87Å; V1262-L1412 HydrophobicContact CG1-CD2 4.11Å; V1262-L1412 HydrophobicContact CG2-CD2 4.5Å
1263S93.1Very high90.2Very high1 Ų113.9 Ų13.91%0.0077%0.073CC..Hα-helixtrans-63.8-22.9-18071.40000114R1106 N1260 N1261 D1267R1106-S1263 PolarHBondContact NE-OG 3.02Å; R1106-S1263 PolarHBondContact NH2-OG 3.34Å; N1260-S1263 PolarHBondContact ND2-OG 2.95Å; N1260-S1263 VanDerWaalsContact ND2-OG 3.08Å; N1260-S1263 WeakPolarHBondContact O-CB 3.26Å; N1260-S1263 PolarHBondContact O-N 2.95Å; N1260-S1263 VanDerWaalsContact O-N 3.12Å; N1260-S1263 PolarHBondContact O-OG 2.74Å; N1260-S1263 WeakPolarHBondContact OD1-CB 3.39Å; N1261-S1263 PolarHBondContact O-N 2.78Å; S1263-D1267 PolarHBondContact O-N 2.91Å; S1263-D1267 VanDerWaalsContact O-N 3.14Å
1264I92.5Very high90.1Very high32 Ų3217.4 Ų17.416%0.16410%0.095CC..Hα-helixtrans-76.6-38.6176.2-60.9169.2000110.1V1213 N1261 V1262 V1266 D1267 C1268V1213-I1264 HydrophobicContact CG1-CB 3.92Å; V1213-I1264 HydrophobicContact CG1-CD1 3.71Å; V1213-I1264 HydrophobicContact CG1-CG1 4.38Å; V1213-I1264 HydrophobicContact CG1-CG2 4.06Å; N1261-I1264 WeakPolarHBondContact O-CB 3.44Å; N1261-I1264 PolarHBondContact O-N 2.8Å; V1262-I1264 PolarHBondContact O-N 2.88Å; I1264-V1266 VanDerWaalsContact C-N 3.33Å; I1264-V1266 PolarHBondContact O-N 2.93Å; I1264-D1267 WeakPolarHBondContact O-CB 3.42Å; I1264-D1267 PolarHBondContact O-N 3.3Å; I1264-C1268 PolarHBondContact O-N 2.57Å; I1264-C1268 PolarHBondContact O-SG 2.63Å
1265L94.8Very high89.5Confident0 Ų020.1 Ų20.10%011%0.109CC..Hα-helixtrans-63.8-41.1174.7-51.4-179.1000111.1I1216 L1242 M1256 V1262 C1268 L1269 L1320 L1327I1216-L1265 HydrophobicContact CD1-CD2 4.43Å; I1216-L1265 HydrophobicContact CG2-CD2 4.01Å; L1242-L1265 HydrophobicContact CD2-CD1 4.15Å; L1242-L1265 HydrophobicContact CD2-CD2 4.13Å; M1256-L1265 HydrophobicContact CE-CD1 3.75Å; M1256-L1265 HydrophobicContact CE-CG 4.32Å; V1262-L1265 PolarHBondContact O-N 2.83Å; V1262-L1265 VanDerWaalsContact O-N 3.12Å; L1265-C1268 PolarHBondContact O-N 2.96Å; L1265-L1269 WeakPolarHBondContact O-CG 3.31Å; L1265-L1269 PolarHBondContact O-N 2.78Å; L1265-L1320 HydrophobicContact CB-CD1 4.21Å; L1265-L1320 HydrophobicContact CD2-CD1 3.82Å; L1265-L1327 HydrophobicContact CD1-CD1 3.63Å
1266V94.4Very high88.4Confident0 Ų019.8 Ų19.80%011%0.11CC..Hα-helixtrans-61.4-44.9174.51750000111.4V1262 I1264 L1269 V1270 L1324 Y1415 I1416 L1421V1262-V1266 PolarHBondContact O-N 3.39Å; V1262-V1266 VanDerWaalsContact O-N 3.15Å; I1264-V1266 VanDerWaalsContact C-N 3.33Å; I1264-V1266 PolarHBondContact O-N 2.93Å; V1266-L1269 PolarHBondContact O-N 3.09Å; V1266-V1270 WeakPolarHBondContact O-CG2 3.41Å; V1266-V1270 PolarHBondContact O-N 3.3Å; V1266-L1324 HydrophobicContact CG2-CD1 4.31Å; V1266-L1324 HydrophobicContact CG2-CD2 3.94Å; V1266-Y1415 HydrophobicContact CB-CE1 4.12Å; V1266-Y1415 HydrophobicContact CG1-CD1 4.1Å; V1266-Y1415 HydrophobicContact CG1-CE1 3.77Å; V1266-I1416 HydrophobicContact CG2-CG1 3.88Å; V1266-L1421 HydrophobicContact CG1-CD1 4.06Å
1267D92.9Very high86.6Confident25 Ų2522.8 Ų22.813%0.13413%0.125CC..Hα-helixtrans-58.2-48.6173.9-72.7-2.8000111.8R1106 R1220 S1263 I1264 L1269 V1270 I1271 Y1415R1106-D1267 IonicContact CZ-OD1 3.19Å; R1106-D1267 IonicContact CZ-OD2 3.81Å; R1106-D1267 IonicContact NH1-OD1 2.7Å; R1106-D1267 PolarHBondContact NH1-OD1 3.45Å; R1106-D1267 IonicContact NH1-OD2 4Å; R1106-D1267 PolarHBondContact NH1-OD2 3.25Å; R1106-D1267 IonicContact NH2-OD1 2.85Å; R1106-D1267 IonicContact NH2-OD2 2.8Å; R1106-D1267 PolarHBondContact NH2-OD2 3.48Å; R1220-D1267 HydrophobicContact CG-CB 4.15Å; R1220-D1267 IonicContact NE-OD2 2.73Å; R1220-D1267 PolarHBondContact NE-OD2 2.95Å; S1263-D1267 PolarHBondContact O-N 2.91Å; S1263-D1267 VanDerWaalsContact O-N 3.14Å; I1264-D1267 WeakPolarHBondContact O-CB 3.42Å; I1264-D1267 PolarHBondContact O-N 3.3Å; D1267-L1269 VanDerWaalsContact C-N 3.31Å; D1267-L1269 PolarHBondContact O-N 2.91Å; D1267-V1270 PolarHBondContact O-N 2.89Å; D1267-I1271 WeakPolarHBondContact O-CG1 3.48Å; D1267-I1271 PolarHBondContact O-N 3.09Å; D1267-Y1415 PolarHBondContact OD1-OH 3.47Å
1268C92.4Very high84.1Confident0 Ų025.7 Ų25.70%015%0.145CC..Hα-helixtrans-62.5-38.6-178.7-68.20000111.3I1216 I1219 I1264 L1265 Q1272 L1320I1216-C1268 PolarHBondContact O-SG 2.71Å; I1216-C1268 VanDerWaalsContact O-SG 3.34Å; I1219-C1268 HydrophobicContact CB-CB 4.35Å; I1219-C1268 HydrophobicContact CD1-CB 4.45Å; I1219-C1268 HydrophobicContact CG2-CB 4.21Å; I1264-C1268 PolarHBondContact O-N 2.57Å; I1264-C1268 PolarHBondContact O-SG 2.63Å; L1265-C1268 PolarHBondContact O-N 2.96Å; C1268-Q1272 WeakPolarHBondContact O-CB 3.44Å; C1268-Q1272 VanDerWaalsContact O-CG 3.26Å; C1268-Q1272 WeakPolarHBondContact O-CG 3.41Å; C1268-Q1272 PolarHBondContact O-N 3.01Å; C1268-L1320 HydrophobicContact CB-CD2 3.58Å
1269L92.6Very high81.2Confident0 Ų029.7 Ų29.70%017%0.166CC..Hα-helixtrans-65.9-45.3173.2-75.8168.8000112.8L1265 V1266 D1267 I1271 Q1272 F1273 L1320 L1321 L1324 L1421L1265-L1269 WeakPolarHBondContact O-CG 3.31Å; L1265-L1269 PolarHBondContact O-N 2.78Å; V1266-L1269 PolarHBondContact O-N 3.09Å; D1267-L1269 VanDerWaalsContact C-N 3.31Å; D1267-L1269 PolarHBondContact O-N 2.91Å; L1269-I1271 VanDerWaalsContact C-N 3.29Å; L1269-I1271 PolarHBondContact O-N 2.58Å; L1269-Q1272 PolarHBondContact O-N 3.32Å; L1269-F1273 HydrophobicContact CB-CD2 4.39Å; L1269-F1273 HydrophobicContact CB-CE2 4.42Å; L1269-F1273 HydrophobicContact CD2-CE2 4.03Å; L1269-F1273 WeakPolarHBondContact O-CB 3.46Å; L1269-F1273 VanDerWaalsContact O-CD2 3.22Å; L1269-F1273 WeakPolarHBondContact O-CD2 3.21Å; L1269-F1273 PolarHBondContact O-N 3Å; L1269-L1320 HydrophobicContact CD1-CG 4.4Å; L1269-L1320 HydrophobicContact CD2-CB 4.03Å; L1269-L1320 HydrophobicContact CD2-CD2 3.82Å; L1269-L1320 HydrophobicContact CD2-CG 3.79Å; L1269-L1320 HydrophobicContact CG-CD2 3.73Å; L1269-L1320 HydrophobicContact CG-CG 3.77Å; L1269-L1321 HydrophobicContact CD1-CD1 4.16Å; L1269-L1321 HydrophobicContact CD2-CB 4.08Å; L1269-L1324 HydrophobicContact CD1-CB 4.16Å; L1269-L1324 HydrophobicContact CD1-CD2 3.62Å; L1269-L1421 HydrophobicContact CB-CD1 3.7Å; L1269-L1421 HydrophobicContact CD1-CD1 4Å
1270V91Very high78.1Confident30 Ų3033.6 Ų33.618%0.18219%0.186CC..Hα-helixtrans-59.5-42.3176.7169.80000110.9V1266 D1267 T1274 L1421 L1424V1266-V1270 WeakPolarHBondContact O-CG2 3.41Å; V1266-V1270 PolarHBondContact O-N 3.3Å; D1267-V1270 PolarHBondContact O-N 2.89Å; V1270-T1274 VanDerWaalsContact O-CB 3.25Å; V1270-T1274 WeakPolarHBondContact O-CB 3.11Å; V1270-T1274 PolarHBondContact O-N 3.21Å; V1270-T1274 PolarHBondContact O-OG1 3.37Å; V1270-L1421 HydrophobicContact CG2-CB 3.76Å; V1270-L1421 HydrophobicContact CG2-CD1 4.39Å; V1270-L1421 HydrophobicContact CG2-CG 4.43Å; V1270-L1424 HydrophobicContact CB-CD1 4.47Å; V1270-L1424 HydrophobicContact CG1-CD1 4.06Å
1271I87.8Confident74.8Confident53 Ų5335.1 Ų35.127%0.27219%0.191SC..Hα-helixtrans-65.9-50.1176.4-69.4172.8000110.8R1220 D1267 L1269 F1273 T1274 L1275R1220-I1271 HydrophobicContact CB-CD1 4.01Å; R1220-I1271 HydrophobicContact CG-CD1 3.78Å; D1267-I1271 WeakPolarHBondContact O-CG1 3.48Å; D1267-I1271 PolarHBondContact O-N 3.09Å; L1269-I1271 VanDerWaalsContact C-N 3.29Å; L1269-I1271 PolarHBondContact O-N 2.58Å; I1271-F1273 PolarHBondContact O-N 3.36Å; I1271-T1274 PolarHBondContact O-N 3.45Å; I1271-L1275 HydrophobicContact CG2-CD1 3.72Å; I1271-L1275 HydrophobicContact CG2-CG 4.29Å; I1271-L1275 WeakPolarHBondContact O-CB 3.46Å; I1271-L1275 WeakPolarHBondContact O-CG 3.37Å; I1271-L1275 PolarHBondContact O-N 2.9Å
1272Q87Confident71.5Confident15 Ų1541.3 Ų41.37%0.0722%0.22CC..Hα-helixtrans-61.1-44-179.7-74.9-67.713.300112.1I1219 C1268 L1269 L1275 S1276 T1317I1219-Q1272 HydrophobicContact CG2-CG 3.99Å; C1268-Q1272 WeakPolarHBondContact O-CB 3.44Å; C1268-Q1272 VanDerWaalsContact O-CG 3.26Å; C1268-Q1272 WeakPolarHBondContact O-CG 3.41Å; C1268-Q1272 PolarHBondContact O-N 3.01Å; L1269-Q1272 PolarHBondContact O-N 3.32Å; Q1272-L1275 PolarHBondContact O-N 2.95Å; Q1272-S1276 WeakPolarHBondContact O-CB 3.47Å; Q1272-S1276 PolarHBondContact O-N 2.78Å; Q1272-S1276 PolarHBondContact O-OG 2.89Å; Q1272-T1317 HydrophobicContact CB-CG2 3.97Å
1273F86Confident68.2Low4 Ų448 Ų482%0.01826%0.261CS..Hα-helixtrans-65-41.7175.6-77.5-54.9000112.5L1269 I1271 S1276 I1277 T1317 L1321 L1424 I1425 F1464L1269-F1273 HydrophobicContact CB-CD2 4.39Å; L1269-F1273 HydrophobicContact CB-CE2 4.42Å; L1269-F1273 HydrophobicContact CD2-CE2 4.03Å; L1269-F1273 WeakPolarHBondContact O-CB 3.46Å; L1269-F1273 VanDerWaalsContact O-CD2 3.22Å; L1269-F1273 WeakPolarHBondContact O-CD2 3.21Å; L1269-F1273 PolarHBondContact O-N 3Å; I1271-F1273 PolarHBondContact O-N 3.36Å; F1273-S1276 PolarHBondContact O-N 2.63Å; F1273-I1277 WeakPolarHBondContact O-CG1 3.46Å; F1273-I1277 PolarHBondContact O-N 2.88Å; F1273-I1277 VanDerWaalsContact O-N 3.12Å; F1273-T1317 HydrophobicContact CD1-CG2 4.35Å; F1273-T1317 HydrophobicContact CE1-CG2 3.94Å; F1273-T1317 HydrophobicContact CZ-CG2 4.08Å; F1273-L1321 HydrophobicContact CZ-CD2 4.37Å; F1273-L1424 HydrophobicContact CB-CB 4.04Å; F1273-L1424 HydrophobicContact CB-CD1 4.11Å; F1273-L1424 HydrophobicContact CB-CG 4.5Å; F1273-I1425 HydrophobicContact CD2-CG1 4.4Å; F1273-I1425 HydrophobicContact CE2-CD1 4.14Å; F1273-I1425 HydrophobicContact CE2-CG1 3.88Å; F1273-I1425 HydrophobicContact CZ-CD1 4.49Å; F1273-I1425 HydrophobicContact CZ-CG1 4.11Å; F1273-F1464 HydrophobicContact CE1-CD2 4.44Å; F1273-F1464 AromaticContact CE1-CE2 3.58Å; F1273-F1464 HydrophobicContact CE1-CE2 3.58Å; F1273-F1464 HydrophobicContact CE1-CZ 4.3Å; F1273-F1464 AromaticContact CZ-CE2 3.91Å; F1273-F1464 HydrophobicContact CZ-CE2 3.91Å
1274T82.6Confident64.9Low78 Ų7853 Ų5348%0.47929%0.286SS..Hα-helixtrans-62.9-43.3177.7-58.50000111.9V1270 I1271V1270-T1274 VanDerWaalsContact O-CB 3.25Å; V1270-T1274 WeakPolarHBondContact O-CB 3.11Å; V1270-T1274 PolarHBondContact O-N 3.21Å; V1270-T1274 PolarHBondContact O-OG1 3.37Å; I1271-T1274 PolarHBondContact O-N 3.45Å
1275L73.1Confident61.5Low84 Ų8459.5 Ų59.544%0.4432%0.315SS..Hα-helixtrans-69.7-39.5176.3-69.9174.2000112.2P1224 I1271 Q1272 I1277P1224-L1275 HydrophobicContact CB-CD2 3.96Å; P1224-L1275 HydrophobicContact CG-CD2 4.02Å; I1271-L1275 HydrophobicContact CG2-CD1 3.72Å; I1271-L1275 HydrophobicContact CG2-CG 4.29Å; I1271-L1275 WeakPolarHBondContact O-CB 3.46Å; I1271-L1275 WeakPolarHBondContact O-CG 3.37Å; I1271-L1275 PolarHBondContact O-N 2.9Å; Q1272-L1275 PolarHBondContact O-N 2.95Å; L1275-I1277 VanDerWaalsContact C-N 3.28Å; L1275-I1277 PolarHBondContact O-N 3.06Å
1276S62.8Low58.1Low18 Ų1863.3 Ų63.313%0.12634%0.341CS..Hα-helixtrans-78.1-6.4-176.4-61.20000113.7Q1272 F1273 P1278 R1428Q1272-S1276 WeakPolarHBondContact O-CB 3.47Å; Q1272-S1276 PolarHBondContact O-N 2.78Å; Q1272-S1276 PolarHBondContact O-OG 2.89Å; F1273-S1276 PolarHBondContact O-N 2.63Å; S1276-P1278 WeakPolarHBondContact O-CD 3.28Å; S1276-P1278 VanDerWaalsContact O-N 3.16Å; S1276-R1428 PolarHBondContact O-NH2 3.36Å
1277I53.2Low54.7Low62 Ų6269.6 Ų69.632%0.31838%0.375SS..SBendtrans-60.2117.1173.7-79.6162.2000107.1F1273 L1275 N1279 L1424 R1428F1273-I1277 WeakPolarHBondContact O-CG1 3.46Å; F1273-I1277 PolarHBondContact O-N 2.88Å; F1273-I1277 VanDerWaalsContact O-N 3.12Å; L1275-I1277 VanDerWaalsContact C-N 3.28Å; L1275-I1277 PolarHBondContact O-N 3.06Å; I1277-N1279 PolarHBondContact O-N 3.47Å; I1277-L1424 HydrophobicContact CD1-CD2 3.74Å; I1277-R1428 VanDerWaalsContact N-NH2 3.19Å
1278P37.2Very low51.4Low71 Ų7173 Ų7346%0.46140%0.398SS..  trans-67.8101-176.5-20.434.5000109.9S1276 N1280S1276-P1278 WeakPolarHBondContact O-CD 3.28Å; S1276-P1278 VanDerWaalsContact O-N 3.16Å; P1278-N1280 PolarHBondContact O-N 2.91Å
1279N26.8Very low48Very low116 Ų11678.7 Ų78.762%0.6244%0.436SS*.  trans-63.883.9159.1-87.9-89.1000106.9I1277 R1281I1277-N1279 PolarHBondContact O-N 3.47Å; N1279-R1281 VanDerWaalsContact C-N 3.35Å; N1279-R1281 PolarHBondContact O-N 2.89Å
1280N24.8Very low44.6Very low90 Ų9083.5 Ų83.548%0.48147%0.47SS..  trans-67.584.8-159.2-173.751.8000112.9P1278P1278-N1280 PolarHBondContact O-N 2.91Å
1281R20.5Very low41.5Very low44 Ų4488.3 Ų88.317%0.16650%0.502CS..  trans-156.988.5171.4-87.1-150.8-158.1133.41.4109.5K246 P247 Q251 N1279K246-R1281 HydrophobicContact CB-CG 3.89Å; K246-R1281 VanDerWaalsContact CB-CZ 3.43Å; K246-R1281 WeakPolarHBondContact O-CD 3.36Å; K246-R1281 WeakPolarHBondContact O-CG 3.47Å; K246-R1281 PolarHBondContact O-NE 3.07Å; P247-R1281 PolarHBondContact O-NE 3.32Å; P247-R1281 VanDerWaalsContact O-NE 3.08Å; P247-R1281 PolarHBondContact O-NH2 3.01Å; Q251-R1281 PolarHBondContact NE2-O 2.93Å; N1279-R1281 VanDerWaalsContact C-N 3.35Å; N1279-R1281 PolarHBondContact O-N 2.89Å
1282H24Very low38.6Very low144 Ų14493.7 Ų93.767%0.66753%0.529SS*.  trans175.573.5149.4-88.1-50.9000108.8Q251 I1284Q251-H1282 VanDerWaalsContact CD-CE1 3.46Å; Q251-H1282 PolarHBondContact NE2-CE1 2.87Å; Q251-H1282 VanDerWaalsContact NE2-CE1 3.27Å; Q251-H1282 PolarHBondContact NE2-NE2 3.04Å; H1282-I1284 PolarHBondContact O-N 3.41Å
1283T23.2Very low35.6Very low142 Ų14298.7 Ų98.787%0.87156%0.561SS**  trans-73.4118.7168.221.60000109.6
1284I22.8Very low32.7Very low104 Ų104105.2 Ų105.253%0.53360%0.596SS.*  trans-114.2126.3172.3-66.1175.3000107.8H1282 C1286H1282-I1284 PolarHBondContact O-N 3.41Å; I1284-C1286 PolarHBondContact O-N 3.48Å
1285H22.3Very low30.1Very low170 Ų170108.3 Ų108.379%0.78761%0.605SS**  trans-71122.9178.3-111.7-100000110.9
1286C22.7Very low27.8Very low79 Ų79112.4 Ų112.453%0.53462%0.62SS.*  trans-91.9106.2163.7-59.20000108.4I1284I1284-C1286 PolarHBondContact O-N 3.48Å
1287N22.7Very low25.8Very low133 Ų133116.7 Ų116.771%0.71165%0.649SS**PPolyproline II helixtrans-85.6151.9177.2-89.23.5000112.1
1288P23.4Very low24.5Very low97 Ų97119.6 Ų119.663%0.6368%0.676SS**PPolyproline II helixtrans-66.1152.8176.3-17.831.8000112.8
1289C20.6Very low23.7Very low118 Ų118122.1 Ų122.180%0.79770%0.695SS**PPolyproline II helixtrans-90.6133.6177.6-170.60000111.7
1290S23Very low23.6Very low102 Ų102122.5 Ų122.571%0.71370%0.701SS**  trans-117.9146.9165.4-72.60000109.4
1291P24.8Very low23.6Very low130 Ų130128.3 Ų128.384%0.84472%0.723SS**PPolyproline II helixtrans-73.2147.6-165.528.8-36000114
1292I26.3Very low23.8Very low166 Ų166133.1 Ų133.185%0.85175%0.75SS**PPolyproline II helixtrans-88.7129.5179-63.7171.5000110.5
1293T25Very low23.9Very low120 Ų120135.1 Ų135.174%0.73676%0.76SS**PPolyproline II helixtrans-96.6126.716150.90000111
1294D25Very low23.9Very low142 Ų142136.1 Ų136.176%0.75976%0.755SS**  trans70.6138.9144.5-73-38.2000123.6
1295Q27.3Very low23.8Very low142 Ų142136.7 Ų136.766%0.66477%0.766SS**  trans79.8110.2155-43.4-13729.400121.4
1296K25Very low23.9Very low171 Ų171132.2 Ų132.274%0.74376%0.755SS**  65.698.2125.3-67.1175.1-175.3151.50120.2
1297S21.9Very low24.1Very low107 Ų107132.6 Ų132.675%0.74875%0.749SS**  46.7100.6120.664.10000119.6
1298S25Very low24.3Very low124 Ų124132.2 Ų132.287%0.86775%0.747SS**  -157.7147.3127.4-82.60000109.9T1300S1298-T1300 PolarHBondContact O-N 3.05Å
1299S20.6Very low24.8Very low124 Ų124131 Ų13187%0.86774%0.74SS**  trans-88.4101.5-174.754.30000112
1300T25.8Very low25.7Very low123 Ų123128.5 Ų128.576%0.75572%0.724SS**  trans-125.6144.2163.238.60000110.7S1298 I1302S1298-T1300 PolarHBondContact O-N 3.05Å; T1300-I1302 PolarHBondContact O-N 3.31Å
1301F23.3Very low26.7Very low213 Ų213125 Ų12593%0.93470%0.699SS**  trans-72.8107-169.8-148.6-107.8000110E1303F1301-E1303 PolarHBondContact O-N 2.85Å
1302I25.8Very low27.9Very low145 Ų145120.9 Ų120.974%0.74467%0.672SS**  trans-86.8105.5178.8-61.2-179.9000109.4T1300 Q1304T1300-I1302 PolarHBondContact O-N 3.31Å; I1302-Q1304 HydrophobicContact CG2-CG 4.45Å; I1302-Q1304 PolarHBondContact O-N 2.99Å
1303E25.8Very low29.4Very low186 Ų186115.7 Ų115.787%0.86965%0.646SS**  trans-76100.4171.9-170.5168.1-148.900109.6F1301 C1305F1301-E1303 PolarHBondContact O-N 2.85Å; E1303-C1305 PolarHBondContact O-N 3.5Å
1304Q22.1Very low31.5Very low162 Ų162113.2 Ų113.276%0.75762%0.624SS**  trans-70.9111.6-178-72-174.6-84.800111.7I1302 S1306I1302-Q1304 HydrophobicContact CG2-CG 4.45Å; I1302-Q1304 PolarHBondContact O-N 2.99Å; Q1304-S1306 PolarHBondContact O-N 3.09Å; Q1304-S1306 PolarHBondContact O-OG 3.27Å
1305C21.6Very low34.2Very low116 Ų116108.3 Ų108.378%0.78460%0.601SS**  trans-59.7102173.6-173.20000111E1303 Q1307E1303-C1305 PolarHBondContact O-N 3.5Å; C1305-Q1307 PolarHBondContact O-N 2.88Å; C1305-Q1307 VanDerWaalsContact O-N 3.08Å
1306S24.6Very low37Very low77 Ų77101.6 Ų101.654%0.53857%0.57SS.*  trans-87.873.4-167.1-60.80000112.5Q1304 D1308 S1309Q1304-S1306 PolarHBondContact O-N 3.09Å; Q1304-S1306 PolarHBondContact O-OG 3.27Å; S1306-D1308 PolarHBondContact O-N 3.09Å; S1306-S1309 PolarHBondContact O-N 3.04Å; S1306-S1309 PolarHBondContact O-OG 2.88Å
1307Q26.7Very low40Very low87 Ų8793.6 Ų93.641%0.40754%0.535SS..THydrogen-bonded Turntrans-62.9-19176.4-74.8-168.6-104.200113.8C1305 S1309 S1310C1305-Q1307 PolarHBondContact O-N 2.88Å; C1305-Q1307 VanDerWaalsContact O-N 3.08Å; Q1307-S1309 PolarHBondContact O-N 2.86Å; Q1307-S1310 WeakPolarHBondContact O-CB 3.39Å; Q1307-S1310 PolarHBondContact O-N 2.79Å; Q1307-S1310 PolarHBondContact O-OG 3.41Å
1308D26.3Very low43.3Very low125 Ų12589 Ų8967%0.66850%0.502SS*.Hα-helixtrans-49.7-30.9173.3-54.8-20.6000113S1306 S1310 V1311 S1312S1306-D1308 PolarHBondContact O-N 3.09Å; D1308-S1310 PolarHBondContact O-N 3.3Å; D1308-S1310 VanDerWaalsContact O-N 3.16Å; D1308-V1311 PolarHBondContact O-N 3.08Å; D1308-V1311 VanDerWaalsContact O-N 3.14Å; D1308-S1312 PolarHBondContact O-N 3.02Å
1309S33.9Very low46.4Very low70 Ų7084 Ų8449%0.4947%0.466SS..Hα-helixtrans-58.9-22.5175.458.60000114.5S1306 Q1307 N1313S1306-S1309 PolarHBondContact O-N 3.04Å; S1306-S1309 PolarHBondContact O-OG 2.88Å; Q1307-S1309 PolarHBondContact O-N 2.86Å; S1309-N1313 PolarHBondContact O-ND2 3.24Å
1310S40Very low49.9Very low67 Ų6778.1 Ų78.147%0.46943%0.425SS..Hα-helixtrans-80.2-33.2176.465.50000113Q1307 D1308 Y1314Q1307-S1310 WeakPolarHBondContact O-CB 3.39Å; Q1307-S1310 PolarHBondContact O-N 2.79Å; Q1307-S1310 PolarHBondContact O-OG 3.41Å; D1308-S1310 PolarHBondContact O-N 3.3Å; D1308-S1310 VanDerWaalsContact O-N 3.16Å; S1310-Y1314 WeakPolarHBondContact O-CD2 2.98Å; S1310-Y1314 WeakPolarHBondContact O-CE2 3.49Å
1311V44.2Very low53.2Low29 Ų2972.3 Ų72.318%0.17639%0.389CS..Hα-helixtrans-81.3-31176.4-178.80000110.6D1308 Y1314 Q1456D1308-V1311 PolarHBondContact O-N 3.08Å; D1308-V1311 VanDerWaalsContact O-N 3.14Å; V1311-Y1314 WeakPolarHBondContact O-CD2 3.44Å; V1311-Q1456 HydrophobicContact CG1-CG 4.04Å
1312S48.8Very low56.5Low42 Ų4264.2 Ų64.229%0.29436%0.355SS..Hα-helixtrans-57.5-57.6-174.789.20000112.3E1232 D1308 Y1314 S1315E1232-S1312 VanDerWaalsContact CD-C 3.48Å; E1232-S1312 WeakPolarHBondContact OE2-CB 3.39Å; E1232-S1312 PolarHBondContact OE2-OG 2.93Å; D1308-S1312 PolarHBondContact O-N 3.02Å; S1312-Y1314 PolarHBondContact O-N 2.88Å; S1312-S1315 VanDerWaalsContact O-CB 3.24Å; S1312-S1315 WeakPolarHBondContact O-CB 3.44Å; S1312-S1315 PolarHBondContact O-N 3.29Å; S1312-S1315 PolarHBondContact O-OG 3.05Å
1313N57.9Low59.8Low57 Ų5757.4 Ų57.431%0.30532%0.321SS..THydrogen-bonded Turntrans-50.7-24.5-167.8-73.6-69.2000115.8E1232 S1309 S1315 T1317E1232-N1313 VanDerWaalsContact OE1-CA 3.31Å; E1232-N1313 WeakPolarHBondContact OE1-CA 2.98Å; E1232-N1313 VanDerWaalsContact OE2-CA 3.28Å; E1232-N1313 WeakPolarHBondContact OE2-CA 3.45Å; E1232-N1313 PolarHBondContact OE2-N 3.22Å; S1309-N1313 PolarHBondContact O-ND2 3.24Å; N1313-S1315 VanDerWaalsContact C-N 3.3Å; N1313-T1317 PolarHBondContact O-OG1 2.98Å; N1313-T1317 VanDerWaalsContact O-OG1 3.12Å
1314Y70.9Confident63.1Low68 Ų6848.6 Ų48.627%0.26728%0.279SS..Hα-helixtrans-67.3-30.3176.1-66.5-54.9000113S1310 V1311 S1312 T1317 L1318 Y1460S1310-Y1314 WeakPolarHBondContact O-CD2 2.98Å; S1310-Y1314 WeakPolarHBondContact O-CE2 3.49Å; V1311-Y1314 WeakPolarHBondContact O-CD2 3.44Å; S1312-Y1314 PolarHBondContact O-N 2.88Å; Y1314-T1317 WeakPolarHBondContact O-CB 3.27Å; Y1314-T1317 PolarHBondContact O-N 3.49Å; Y1314-L1318 PolarHBondContact O-N 2.94Å; Y1314-Y1460 AromaticContact CD1-CE1 3.81Å; Y1314-Y1460 HydrophobicContact CD1-CE1 3.81Å; Y1314-Y1460 AromaticContact CD1-CZ 3.89Å; Y1314-Y1460 HydrophobicContact CD2-CD1 4.43Å; Y1314-Y1460 HydrophobicContact CD2-CE1 4.35Å; Y1314-Y1460 HydrophobicContact CG-CD1 4.15Å; Y1314-Y1460 AromaticContact CG-CE1 3.72Å; Y1314-Y1460 HydrophobicContact CG-CE1 3.72Å; Y1314-Y1460 HydrophobicContact CG-CE2 4.42Å; Y1314-Y1460 AromaticContact CG-CZ 3.88Å
1315S81.4Confident66.5Low39 Ų3941.2 Ų41.227%0.27325%0.246SC..Hα-helixtrans-66.5-49-175.7-47.70000112S1312 N1313 T1317 L1318 D1319S1312-S1315 VanDerWaalsContact O-CB 3.24Å; S1312-S1315 WeakPolarHBondContact O-CB 3.44Å; S1312-S1315 PolarHBondContact O-N 3.29Å; S1312-S1315 PolarHBondContact O-OG 3.05Å; N1313-S1315 VanDerWaalsContact C-N 3.3Å; S1315-T1317 VanDerWaalsContact C-N 3.26Å; S1315-T1317 PolarHBondContact O-N 2.72Å; S1315-L1318 WeakPolarHBondContact O-CB 3.16Å; S1315-L1318 PolarHBondContact O-N 2.94Å; S1315-D1319 PolarHBondContact O-N 3.34Å
1316C86.5Confident69.8Low2 Ų238 Ų381%0.01422%0.22CC..Hα-helixtrans-66-30.2175.6-1800000112.4E1232 Y1235 R1236 L1320E1232-C1316 HydrophobicContact CG-CB 3.48Å; E1232-C1316 VanDerWaalsContact CG-CB 3.48Å; E1232-C1316 WeakPolarHBondContact OE1-CB 3.35Å; E1232-C1316 PolarHBondContact OE1-N 3Å; Y1235-C1316 WeakPolarHBondContact CB-SG 3.39Å; R1236-C1316 HydrophobicContact CG-CB 4.17Å; C1316-L1320 WeakPolarHBondContact O-CB 3.03Å; C1316-L1320 PolarHBondContact O-N 2.8Å
1317T87.7Confident73Confident2 Ų234.3 Ų34.31%0.01220%0.195CC..Hα-helixtrans-66.2-41.5175.5-570000110.6Q1272 F1273 N1313 Y1314 S1315 L1321Q1272-T1317 HydrophobicContact CB-CG2 3.97Å; F1273-T1317 HydrophobicContact CD1-CG2 4.35Å; F1273-T1317 HydrophobicContact CE1-CG2 3.94Å; F1273-T1317 HydrophobicContact CZ-CG2 4.08Å; N1313-T1317 PolarHBondContact O-OG1 2.98Å; N1313-T1317 VanDerWaalsContact O-OG1 3.12Å; Y1314-T1317 WeakPolarHBondContact O-CB 3.27Å; Y1314-T1317 PolarHBondContact O-N 3.49Å; S1315-T1317 VanDerWaalsContact C-N 3.26Å; S1315-T1317 PolarHBondContact O-N 2.72Å; T1317-L1321 PolarHBondContact O-N 3Å; T1317-L1321 VanDerWaalsContact O-N 3.08Å
1318L89.6Confident76.1Confident12 Ų1230.2 Ų30.26%0.06318%0.175CC..Hα-helixtrans-66.2-48.1174.3-178.468000112.6Y1314 S1315 L1320 L1321 N1322 Y1460 Q1463Y1314-L1318 PolarHBondContact O-N 2.94Å; S1315-L1318 WeakPolarHBondContact O-CB 3.16Å; S1315-L1318 PolarHBondContact O-N 2.94Å; L1318-L1320 VanDerWaalsContact C-N 3.26Å; L1318-L1320 PolarHBondContact O-N 3.48Å; L1318-L1321 PolarHBondContact O-N 3.49Å; L1318-N1322 PolarHBondContact O-N 3.39Å; L1318-N1322 PolarHBondContact O-ND2 2.85Å; L1318-Y1460 HydrophobicContact CB-CE2 4.39Å; L1318-Q1463 HydrophobicContact CD1-CB 4.43Å; L1318-Q1463 HydrophobicContact CD2-CB 3.7Å
1319D91.8Very high79Confident18 Ų1825.9 Ų25.910%0.09615%0.153CC..Hα-helixtrans-59.7-38.5177.3-66.5-38.9000111.8R1236 C1239 S1315 N1322 C1323R1236-D1319 VanDerWaalsContact CG-OD2 3.31Å; R1236-D1319 WeakPolarHBondContact CG-OD2 3.35Å; R1236-D1319 IonicContact CZ-OD2 2.69Å; R1236-D1319 IonicContact NE-OD2 3.6Å; R1236-D1319 PolarHBondContact NE-OD2 3.16Å; R1236-D1319 IonicContact NH2-OD1 3.83Å; R1236-D1319 PolarHBondContact NH2-OD1 3.42Å; R1236-D1319 VanDerWaalsContact NH2-OD1 3.08Å; R1236-D1319 IonicContact NH2-OD2 3.44Å; R1236-D1319 PolarHBondContact NH2-OD2 2.97Å; C1239-D1319 HydrophobicContact CB-CB 3.82Å; S1315-D1319 PolarHBondContact O-N 3.34Å; D1319-N1322 PolarHBondContact O-N 3.28Å; D1319-C1323 PolarHBondContact O-N 3.43Å; D1319-C1323 PolarHBondContact O-SG 3.05Å
1320L93.5Very high81.5Confident1 Ų123.5 Ų23.51%0.00514%0.139CC..Hα-helixtrans-69.1-36.8177.7-17764.7000112.2I1216 L1265 C1268 L1269 C1316 L1318 C1323 L1324I1216-L1320 HydrophobicContact CG2-CD1 3.74Å; L1265-L1320 HydrophobicContact CB-CD1 4.21Å; L1265-L1320 HydrophobicContact CD2-CD1 3.82Å; C1268-L1320 HydrophobicContact CB-CD2 3.58Å; L1269-L1320 HydrophobicContact CD1-CG 4.4Å; L1269-L1320 HydrophobicContact CD2-CB 4.03Å; L1269-L1320 HydrophobicContact CD2-CD2 3.82Å; L1269-L1320 HydrophobicContact CD2-CG 3.79Å; L1269-L1320 HydrophobicContact CG-CD2 3.73Å; L1269-L1320 HydrophobicContact CG-CG 3.77Å; C1316-L1320 WeakPolarHBondContact O-CB 3.03Å; C1316-L1320 PolarHBondContact O-N 2.8Å; L1318-L1320 VanDerWaalsContact C-N 3.26Å; L1318-L1320 PolarHBondContact O-N 3.48Å; L1320-C1323 WeakPolarHBondContact O-CB 3.39Å; L1320-C1323 PolarHBondContact O-N 3.1Å; L1320-L1324 PolarHBondContact O-N 3.22Å
1321L94Very high83.8Confident1 Ų120.3 Ų20.31%0.00512%0.116CC..Hα-helixtrans-65.1-45.8173.5-175.260.8000110.1L1269 F1273 T1317 L1318 C1323 L1324 T1325 I1425 S1467 F1471L1269-L1321 HydrophobicContact CD1-CD1 4.16Å; L1269-L1321 HydrophobicContact CD2-CB 4.08Å; F1273-L1321 HydrophobicContact CZ-CD2 4.37Å; T1317-L1321 PolarHBondContact O-N 3Å; T1317-L1321 VanDerWaalsContact O-N 3.08Å; L1318-L1321 PolarHBondContact O-N 3.49Å; L1321-C1323 VanDerWaalsContact C-N 3.32Å; L1321-C1323 PolarHBondContact O-N 3.48Å; L1321-L1324 PolarHBondContact O-N 3.06Å; L1321-L1324 VanDerWaalsContact O-N 3.11Å; L1321-T1325 PolarHBondContact O-N 3.46Å; L1321-T1325 PolarHBondContact O-OG1 3.06Å; L1321-I1425 HydrophobicContact CD1-CD1 4.08Å; L1321-S1467 WeakPolarHBondContact CD2-OG 3.3Å; L1321-F1471 HydrophobicContact CD1-CB 3.88Å; L1321-F1471 HydrophobicContact CD1-CD1 4.25Å; L1321-F1471 HydrophobicContact CD1-CD2 3.88Å; L1321-F1471 HydrophobicContact CD1-CG 3.71Å; L1321-F1471 HydrophobicContact CG-CB 4.29Å
1322N93.5Very high85.6Confident43 Ų4321.8 Ų21.823%0.2312%0.119CC..Hα-helixtrans-59.2-38.7174.3-71.4-27.1000112.5L1318 D1319 L1324 T1325 N1326 S1467L1318-N1322 PolarHBondContact O-N 3.39Å; L1318-N1322 PolarHBondContact O-ND2 2.85Å; D1319-N1322 PolarHBondContact O-N 3.28Å; N1322-L1324 PolarHBondContact O-N 3.33Å; N1322-T1325 PolarHBondContact O-N 3.35Å; N1322-N1326 WeakPolarHBondContact O-CB 2.93Å; N1322-N1326 PolarHBondContact O-N 3.37Å; N1322-N1326 PolarHBondContact O-ND2 3.07Å; N1322-S1467 WeakPolarHBondContact OD1-CB 3.2Å; N1322-S1467 PolarHBondContact OD1-OG 3.14Å
1323C94.5Very high87.1Confident2 Ų225.7 Ų25.71%0.01413%0.131CC..Hα-helixtrans-59.5-44.9173.1-70.60000112.2C1239 L1242 D1319 L1320 L1321 L1327C1239-C1323 PolarHBondContact O-SG 3.49Å; L1242-C1323 HydrophobicContact CD2-CB 4.36Å; D1319-C1323 PolarHBondContact O-N 3.43Å; D1319-C1323 PolarHBondContact O-SG 3.05Å; L1320-C1323 WeakPolarHBondContact O-CB 3.39Å; L1320-C1323 PolarHBondContact O-N 3.1Å; L1321-C1323 VanDerWaalsContact C-N 3.32Å; L1321-C1323 PolarHBondContact O-N 3.48Å; C1323-L1327 WeakPolarHBondContact O-CG 3.25Å; C1323-L1327 PolarHBondContact O-N 3.39Å; C1323-L1327 VanDerWaalsContact O-N 3.17Å
1324L95.1Very high88Confident0 Ų023.7 Ų23.70%012%0.12CC..Hα-helixtrans-67.9-42.7178.3-176.559.6000111.7V1262 V1266 L1269 L1320 L1321 N1322 N1326 L1327 L1328 L1421 F1471V1262-L1324 HydrophobicContact CG1-CD1 3.45Å; V1262-L1324 VanDerWaalsContact CG1-CD1 3.45Å; V1266-L1324 HydrophobicContact CG2-CD1 4.31Å; V1266-L1324 HydrophobicContact CG2-CD2 3.94Å; L1269-L1324 HydrophobicContact CD1-CB 4.16Å; L1269-L1324 HydrophobicContact CD1-CD2 3.62Å; L1320-L1324 PolarHBondContact O-N 3.22Å; L1321-L1324 PolarHBondContact O-N 3.06Å; L1321-L1324 VanDerWaalsContact O-N 3.11Å; N1322-L1324 PolarHBondContact O-N 3.33Å; L1324-N1326 PolarHBondContact O-N 3.02Å; L1324-L1327 PolarHBondContact O-N 3.04Å; L1324-L1328 WeakPolarHBondContact O-CG 3.31Å; L1324-L1328 PolarHBondContact O-N 2.98Å; L1324-L1421 HydrophobicContact CD2-CD1 4.34Å; L1324-F1471 HydrophobicContact CD2-CD2 4.31Å; L1324-F1471 HydrophobicContact CD2-CE2 3.54Å; L1324-F1471 HydrophobicContact CD2-CZ 4.25Å; L1324-F1471 HydrophobicContact CG-CD2 4.36Å; L1324-F1471 HydrophobicContact CG-CE2 3.87Å
1325T93.9Very high88.1Confident8 Ų821.5 Ų21.55%0.04911%0.113CC..Hα-helixtrans-58.5-44.1176-60.20000112.2L1321 N1322 L1328 N1329 A1470 F1471 S1474L1321-T1325 PolarHBondContact O-N 3.46Å; L1321-T1325 PolarHBondContact O-OG1 3.06Å; N1322-T1325 PolarHBondContact O-N 3.35Å; T1325-L1328 PolarHBondContact O-N 3.12Å; T1325-N1329 PolarHBondContact O-N 3.38Å; T1325-N1329 PolarHBondContact O-ND2 3.31Å; T1325-A1470 HydrophobicContact CG2-CB 4.14Å; T1325-F1471 VanDerWaalsContact OG1-CA 3.31Å; T1325-F1471 WeakPolarHBondContact OG1-CA 3.27Å; T1325-F1471 VanDerWaalsContact OG1-CB 3.32Å; T1325-F1471 WeakPolarHBondContact OG1-CB 3.47Å; T1325-S1474 WeakPolarHBondContact CG2-OG 3.49Å
1326N90.9Very high87.4Confident47 Ų4722.2 Ų22.225%0.25111%0.11SC..Hα-helixtrans-65.9-39.3176.9-78.7-72.6000112.2Q1243 N1322 L1324 N1329 G1330Q1243-N1326 PolarHBondContact NE2-ND2 2.96Å; N1322-N1326 WeakPolarHBondContact O-CB 2.93Å; N1322-N1326 PolarHBondContact O-N 3.37Å; N1322-N1326 PolarHBondContact O-ND2 3.07Å; L1324-N1326 PolarHBondContact O-N 3.02Å; N1326-N1329 PolarHBondContact O-N 3.1Å; N1326-G1330 PolarHBondContact O-N 2.85Å
1327L92.5Very high85.8Confident1 Ų127.5 Ų27.51%0.00513%0.13CC..Hα-helixtrans-62.5-44.5174.2-76.5164.8000112.3C1246 M1256 L1265 C1323 L1324 N1329 G1330 F1331C1246-L1327 HydrophobicContact CB-CD2 3.85Å; C1246-L1327 HydrophobicContact CB-CG 4.48Å; M1256-L1327 HydrophobicContact CB-CD2 3.88Å; M1256-L1327 HydrophobicContact CE-CD1 3.83Å; M1256-L1327 HydrophobicContact CG-CD1 4.42Å; M1256-L1327 HydrophobicContact CG-CD2 3.85Å; L1265-L1327 HydrophobicContact CD1-CD1 3.63Å; C1323-L1327 WeakPolarHBondContact O-CG 3.25Å; C1323-L1327 PolarHBondContact O-N 3.39Å; C1323-L1327 VanDerWaalsContact O-N 3.17Å; L1324-L1327 PolarHBondContact O-N 3.04Å; L1327-N1329 VanDerWaalsContact C-N 3.34Å; L1327-N1329 PolarHBondContact O-N 3.29Å; L1327-G1330 PolarHBondContact O-N 2.92Å; L1327-G1330 VanDerWaalsContact O-N 3.17Å; L1327-F1331 HydrophobicContact CB-CE2 4.21Å; L1327-F1331 HydrophobicContact CB-CZ 3.96Å; L1327-F1331 HydrophobicContact CD2-CE1 4.37Å; L1327-F1331 HydrophobicContact CD2-CZ 4.18Å; L1327-F1331 WeakPolarHBondContact O-CD1 3.32Å; L1327-F1331 WeakPolarHBondContact O-CD2 2.89Å; L1327-F1331 WeakPolarHBondContact O-CG 2.96Å; L1327-F1331 PolarHBondContact O-N 2.91Å
1328L91.4Very high84.2Confident0 Ų028 Ų280%013%0.134CC..Hα-helixtrans-61.1-40.9175.9-66.8176.9000112L1324 T1325 F1331 Y1332 I1416 F1471 L1475 L1478L1324-L1328 WeakPolarHBondContact O-CG 3.31Å; L1324-L1328 PolarHBondContact O-N 2.98Å; T1325-L1328 PolarHBondContact O-N 3.12Å; L1328-F1331 HydrophobicContact CD2-CD2 4.22Å; L1328-F1331 HydrophobicContact CD2-CE2 4.46Å; L1328-F1331 PolarHBondContact O-N 3.29Å; L1328-Y1332 PolarHBondContact O-N 3.31Å; L1328-I1416 HydrophobicContact CD2-CD1 4.11Å; L1328-F1471 HydrophobicContact CD1-CD2 3.99Å; L1328-F1471 HydrophobicContact CD1-CE2 3.6Å; L1328-F1471 HydrophobicContact CD1-CZ 4.47Å; L1328-L1475 HydrophobicContact CD1-CB 4.28Å; L1328-L1475 HydrophobicContact CD1-CD1 4Å; L1328-L1478 HydrophobicContact CB-CD2 4.42Å; L1328-L1478 HydrophobicContact CD2-CD2 3.68Å
1329N87.4Confident82.2Confident35 Ų3530.2 Ų30.219%0.18715%0.148CC..Hα-helixtrans-68.4-33.4174.3-73.4-48.6000113.1T1325 N1326 L1327 Y1332 K1333 S1474 R1477T1325-N1329 PolarHBondContact O-N 3.38Å; T1325-N1329 PolarHBondContact O-ND2 3.31Å; N1326-N1329 PolarHBondContact O-N 3.1Å; L1327-N1329 VanDerWaalsContact C-N 3.34Å; L1327-N1329 PolarHBondContact O-N 3.29Å; N1329-Y1332 PolarHBondContact O-N 2.94Å; N1329-K1333 WeakPolarHBondContact O-CG 3.1Å; N1329-K1333 PolarHBondContact O-N 3.3Å; N1329-S1474 VanDerWaalsContact CG-OG 3.31Å; N1329-S1474 PolarHBondContact ND2-OG 2.87Å; N1329-S1474 WeakPolarHBondContact OD1-CB 3.04Å; N1329-S1474 PolarHBondContact OD1-OG 3.3Å; N1329-S1474 VanDerWaalsContact OD1-OG 3.12Å; N1329-R1477 PolarHBondContact OD1-NH2 3.45Å
1330G85.5Confident79.7Confident19 Ų1932.9 Ų32.920%0.19616%0.16CC..Hα-helixtrans-62.3-43.2170.700000112N1326 L1327 L1334N1326-G1330 PolarHBondContact O-N 2.85Å; L1327-G1330 PolarHBondContact O-N 2.92Å; L1327-G1330 VanDerWaalsContact O-N 3.17Å; G1330-L1334 WeakPolarHBondContact O-CB 3.48Å; G1330-L1334 PolarHBondContact O-N 3.45Å; G1330-L1334 VanDerWaalsContact O-N 3.11Å
1331F88.6Confident76.7Confident1 Ų138.8 Ų38.80%0.00419%0.186CC..Hα-helixtrans-66.4-37.2174.5-51.2-27000112S1253 L1257 V1262 L1327 L1328 N1335 L1409 L1412 L1478S1253-F1331 WeakPolarHBondContact O-CE1 3.48Å; L1257-F1331 HydrophobicContact CB-CE1 3.9Å; L1257-F1331 HydrophobicContact CB-CZ 3.94Å; L1257-F1331 HydrophobicContact CD1-CE2 4.37Å; L1257-F1331 HydrophobicContact CD1-CZ 4.49Å; L1257-F1331 HydrophobicContact CD2-CD1 4.49Å; V1262-F1331 HydrophobicContact CG2-CE2 4.22Å; V1262-F1331 HydrophobicContact CG2-CZ 3.87Å; L1327-F1331 HydrophobicContact CB-CE2 4.21Å; L1327-F1331 HydrophobicContact CB-CZ 3.96Å; L1327-F1331 HydrophobicContact CD2-CE1 4.37Å; L1327-F1331 HydrophobicContact CD2-CZ 4.18Å; L1327-F1331 WeakPolarHBondContact O-CD1 3.32Å; L1327-F1331 WeakPolarHBondContact O-CD2 2.89Å; L1327-F1331 WeakPolarHBondContact O-CG 2.96Å; L1327-F1331 PolarHBondContact O-N 2.91Å; L1328-F1331 HydrophobicContact CD2-CD2 4.22Å; L1328-F1331 HydrophobicContact CD2-CE2 4.46Å; L1328-F1331 PolarHBondContact O-N 3.29Å; F1331-N1335 PolarHBondContact O-N 3.41Å; F1331-N1335 VanDerWaalsContact O-N 3.1Å; F1331-N1335 PolarHBondContact O-ND2 2.9Å; F1331-L1409 HydrophobicContact CB-CD1 4.07Å; F1331-L1409 HydrophobicContact CD2-CD1 4.29Å; F1331-L1409 HydrophobicContact CG-CD1 4.37Å; F1331-L1412 HydrophobicContact CD2-CD2 4.24Å; F1331-L1412 HydrophobicContact CE2-CD2 3.76Å; F1331-L1478 HydrophobicContact CB-CD1 3.9Å; F1331-L1478 HydrophobicContact CB-CD2 4.01Å; F1331-L1478 HydrophobicContact CD2-CD2 4.18Å
1332Y83.3Confident73.6Confident60 Ų6041.4 Ų41.424%0.23520%0.2CC..Hα-helixtrans-60.7-57.1175.4177.1-93.3000110.8L1328 N1329 L1334 N1335 Y1336 R1477 I1481L1328-Y1332 PolarHBondContact O-N 3.31Å; N1329-Y1332 PolarHBondContact O-N 2.94Å; Y1332-L1334 VanDerWaalsContact C-N 3.33Å; Y1332-L1334 PolarHBondContact O-N 3.02Å; Y1332-N1335 PolarHBondContact O-N 3.07Å; Y1332-Y1336 HydrophobicContact CE1-CD2 4.37Å; Y1332-Y1336 HydrophobicContact CE1-CG 4.43Å; Y1332-Y1336 VanDerWaalsContact O-CB 3.3Å; Y1332-Y1336 WeakPolarHBondContact O-CB 3.46Å; Y1332-Y1336 PolarHBondContact O-N 3.37Å; Y1332-R1477 HydrophobicContact CD2-CB 3.72Å; Y1332-R1477 HydrophobicContact CE2-CB 3.68Å; Y1332-I1481 HydrophobicContact CD2-CD1 3.43Å; Y1332-I1481 VanDerWaalsContact CD2-CD1 3.43Å; Y1332-I1481 HydrophobicContact CD2-CG1 4.17Å; Y1332-I1481 HydrophobicContact CE2-CD1 3.52Å; Y1332-I1481 HydrophobicContact CE2-CG1 3.95Å; Y1332-I1481 HydrophobicContact CG-CD1 4.22Å
1333K80.3Confident70.6Confident124 Ų12444.7 Ų44.754%0.53922%0.222SC..Hα-helixtrans-54.2-47.2179.6-73.4-175.8175.7-168.70112.3N1329 N1335 Y1336 Y1337N1329-K1333 WeakPolarHBondContact O-CG 3.1Å; N1329-K1333 PolarHBondContact O-N 3.3Å; K1333-N1335 PolarHBondContact O-N 3.15Å; K1333-Y1336 PolarHBondContact O-N 3.16Å; K1333-Y1337 HydrophobicContact CB-CD2 4.48Å; K1333-Y1337 HydrophobicContact CB-CE2 4.17Å; K1333-Y1337 WeakPolarHBondContact O-CD2 3.49Å; K1333-Y1337 PolarHBondContact O-N 2.88Å
1334L75.6Confident67.4Low15 Ų1548.7 Ų48.78%0.07925%0.246CC..Hα-helixtrans-65.5-36.1-178.5177.157.7000113.1I1250 I1254 G1330 Y1332 S1338 I1404I1250-L1334 HydrophobicContact CG2-CB 4.46Å; I1250-L1334 HydrophobicContact CG2-CD1 4.1Å; I1250-L1334 HydrophobicContact CG2-CD2 3.92Å; I1250-L1334 HydrophobicContact CG2-CG 4.4Å; I1254-L1334 HydrophobicContact CD1-CD2 3.59Å; I1254-L1334 HydrophobicContact CG1-CD2 3.34Å; G1330-L1334 WeakPolarHBondContact O-CB 3.48Å; G1330-L1334 PolarHBondContact O-N 3.45Å; G1330-L1334 VanDerWaalsContact O-N 3.11Å; Y1332-L1334 VanDerWaalsContact C-N 3.33Å; Y1332-L1334 PolarHBondContact O-N 3.02Å; L1334-S1338 VanDerWaalsContact O-CB 3.26Å; L1334-S1338 WeakPolarHBondContact O-CB 3.33Å; L1334-S1338 PolarHBondContact O-N 2.95Å; L1334-S1338 PolarHBondContact O-OG 3.44Å; L1334-I1404 HydrophobicContact CD2-CD1 3.5Å; L1334-I1404 VanDerWaalsContact CD2-CD1 3.5Å; L1334-I1404 HydrophobicContact CD2-CG1 4.09Å; L1334-I1404 HydrophobicContact CG-CD1 4.14Å
1335N72.5Confident64Low21 Ų2153.3 Ų53.311%0.11227%0.274CS..Hα-helixtrans-74.5-40.7173.5-75.8-85.5000111.6F1331 Y1332 K1333 S1338 T1339 I1481F1331-N1335 PolarHBondContact O-N 3.41Å; F1331-N1335 VanDerWaalsContact O-N 3.1Å; F1331-N1335 PolarHBondContact O-ND2 2.9Å; Y1332-N1335 PolarHBondContact O-N 3.07Å; K1333-N1335 PolarHBondContact O-N 3.15Å; N1335-S1338 CarbonylContact O-C 3.54Å; N1335-S1338 WeakPolarHBondContact O-CA 3.47Å; N1335-S1338 WeakPolarHBondContact O-CB 3.44Å; N1335-S1338 PolarHBondContact O-N 3.23Å; N1335-S1338 VanDerWaalsContact O-N 3.08Å; N1335-T1339 PolarHBondContact O-N 3.06Å; N1335-T1339 PolarHBondContact O-OG1 3.46Å; N1335-I1481 HydrophobicContact CB-CD1 4.06Å; N1335-I1481 HydrophobicContact CB-CG2 4.03Å
1336Y66.6Low60.6Low54 Ų5459.7 Ų59.721%0.21231%0.308CS..Hα-helixtrans-57.1-55.4-180179.1-90.3000112.3Y1332 K1333 S1338 T1339 E1340 E1986Y1332-Y1336 HydrophobicContact CE1-CD2 4.37Å; Y1332-Y1336 HydrophobicContact CE1-CG 4.43Å; Y1332-Y1336 VanDerWaalsContact O-CB 3.3Å; Y1332-Y1336 WeakPolarHBondContact O-CB 3.46Å; Y1332-Y1336 PolarHBondContact O-N 3.37Å; K1333-Y1336 PolarHBondContact O-N 3.16Å; Y1336-S1338 PolarHBondContact O-N 2.8Å; Y1336-T1339 WeakPolarHBondContact CA-OG1 3.39Å; Y1336-T1339 WeakPolarHBondContact O-CA 3.3Å; Y1336-T1339 PolarHBondContact O-N 3.38Å; Y1336-T1339 PolarHBondContact O-OG1 2.8Å; Y1336-E1340 HydrophobicContact CE1-CG 4.18Å; Y1336-E1340 WeakPolarHBondContact CE1-OE1 3.27Å; Y1336-E1340 WeakPolarHBondContact CE1-OE2 3.34Å; Y1336-E1340 PolarHBondContact O-N 2.89Å; Y1336-E1340 VanDerWaalsContact O-N 3.16Å; Y1336-E1986 PolarHBondContact OH-OE2 3.13Å
1337Y54.6Low57.4Low113 Ų11364.8 Ų64.844%0.44334%0.335SS..Hα-helixtrans-61.4-33174.1-62.6-52.9000111.9K1333 T1339 E1340K1333-Y1337 HydrophobicContact CB-CD2 4.48Å; K1333-Y1337 HydrophobicContact CB-CE2 4.17Å; K1333-Y1337 WeakPolarHBondContact O-CD2 3.49Å; K1333-Y1337 PolarHBondContact O-N 2.88Å; Y1337-T1339 PolarHBondContact O-N 3.38Å; Y1337-E1340 VanDerWaalsContact CD1-OE2 3.29Å; Y1337-E1340 WeakPolarHBondContact CD1-OE2 3.44Å
1338S52.8Low54Low12 Ų1272.2 Ų72.28%0.08437%0.37CS..Hα-helixtrans-72.5-8.3173.4-59.30000113.9L1334 N1335 Y1336 N1342 H1401L1334-S1338 VanDerWaalsContact O-CB 3.26Å; L1334-S1338 WeakPolarHBondContact O-CB 3.33Å; L1334-S1338 PolarHBondContact O-N 2.95Å; L1334-S1338 PolarHBondContact O-OG 3.44Å; N1335-S1338 CarbonylContact O-C 3.54Å; N1335-S1338 WeakPolarHBondContact O-CA 3.47Å; N1335-S1338 WeakPolarHBondContact O-CB 3.44Å; N1335-S1338 PolarHBondContact O-N 3.23Å; N1335-S1338 VanDerWaalsContact O-N 3.08Å; Y1336-S1338 PolarHBondContact O-N 2.8Å; S1338-N1342 PolarHBondContact O-ND2 3.3Å; S1338-N1342 PolarHBondContact O-OD1 2.87Å; S1338-H1401 PolarHBondContact OG-CE1 3.39Å; S1338-H1401 PolarHBondContact OG-ND1 2.88Å
1339T47.8Very low50.8Low59 Ų5978.9 Ų78.936%0.36241%0.406SS..Hα-helixtrans-95.4-42.9172.2180000112.5N1335 Y1336 Y1337 F1341 N1342N1335-T1339 PolarHBondContact O-N 3.06Å; N1335-T1339 PolarHBondContact O-OG1 3.46Å; Y1336-T1339 WeakPolarHBondContact CA-OG1 3.39Å; Y1336-T1339 WeakPolarHBondContact O-CA 3.3Å; Y1336-T1339 PolarHBondContact O-N 3.38Å; Y1336-T1339 PolarHBondContact O-OG1 2.8Å; Y1337-T1339 PolarHBondContact O-N 3.38Å; T1339-F1341 PolarHBondContact O-N 2.93Å; T1339-N1342 WeakPolarHBondContact O-CB 3.39Å; T1339-N1342 PolarHBondContact O-N 3.03Å
1340E38.6Very low47.7Very low75 Ų7581.4 Ų81.435%0.3542%0.418SS..Hα-helixtrans-54.5-52.3-179.6-67.2174.7115.500111.5Y1336 Y1337 N1342 T1343Y1336-E1340 HydrophobicContact CE1-CG 4.18Å; Y1336-E1340 WeakPolarHBondContact CE1-OE1 3.27Å; Y1336-E1340 WeakPolarHBondContact CE1-OE2 3.34Å; Y1336-E1340 PolarHBondContact O-N 2.89Å; Y1336-E1340 VanDerWaalsContact O-N 3.16Å; Y1337-E1340 VanDerWaalsContact CD1-OE2 3.29Å; Y1337-E1340 WeakPolarHBondContact CD1-OE2 3.44Å; E1340-N1342 PolarHBondContact O-N 2.82Å; E1340-T1343 PolarHBondContact O-N 3.5Å; E1340-T1343 VanDerWaalsContact O-N 3.1Å; E1340-T1343 PolarHBondContact O-OG1 3.36Å
1341F32.4Very low44.7Very low124 Ų12485.5 Ų85.554%0.54444%0.444SS..G310 helixtrans-66.5-15.9178.9-77.8-80.1000114.7T1339 T1343 T1344 T1345T1339-F1341 PolarHBondContact O-N 2.93Å; F1341-T1343 PolarHBondContact O-N 3.42Å; F1341-T1344 PolarHBondContact O-N 3.23Å; F1341-T1344 VanDerWaalsContact O-N 3.11Å; F1341-T1344 PolarHBondContact O-OG1 3.47Å; F1341-T1345 PolarHBondContact O-N 2.83Å; F1341-T1345 PolarHBondContact O-OG1 2.8Å
1342N27.8Very low41.5Very low56 Ų5690.6 Ų90.630%0.29948%0.479SS..G310 helixtrans-72.3-16.8173.7-64.7-27.5000112.6S1338 T1339 E1340 T1344 R1403S1338-N1342 PolarHBondContact O-ND2 3.3Å; S1338-N1342 PolarHBondContact O-OD1 2.87Å; T1339-N1342 WeakPolarHBondContact O-CB 3.39Å; T1339-N1342 PolarHBondContact O-N 3.03Å; E1340-N1342 PolarHBondContact O-N 2.82Å; N1342-T1344 PolarHBondContact O-N 3.15Å; N1342-R1403 VanDerWaalsContact CG-NH2 3.29Å; N1342-R1403 PolarHBondContact OD1-NH2 3.46Å
1343T30.1Very low38.4Very low112 Ų11298.9 Ų98.969%0.68751%0.51SS*.G310 helixtrans-77.5-6.217167.90000112.9E1340 F1341E1340-T1343 PolarHBondContact O-N 3.5Å; E1340-T1343 VanDerWaalsContact O-N 3.1Å; E1340-T1343 PolarHBondContact O-OG1 3.36Å; F1341-T1343 PolarHBondContact O-N 3.42Å
1344T27Very low35.6Very low86 Ų8697.4 Ų97.453%0.52852%0.516SS..THydrogen-bonded Turntrans-126.9-26-169.34.60000114.3F1341 N1342F1341-T1344 PolarHBondContact O-N 3.23Å; F1341-T1344 VanDerWaalsContact O-N 3.11Å; F1341-T1344 PolarHBondContact O-OG1 3.47Å; N1342-T1344 PolarHBondContact O-N 3.15Å
1345T23.7Very low33Very low97 Ų97102.2 Ų102.260%0.59555%0.551SS**  trans-135.286.5-178.156.80000113.7F1341F1341-T1345 PolarHBondContact O-N 2.83Å; F1341-T1345 PolarHBondContact O-OG1 2.8Å
1346N22.3Very low30.6Very low143 Ų143106.7 Ų106.777%0.76558%0.583SS**  trans-133.749.9164.5-16234.1000113
1347N23.6Very low28.4Very low153 Ų153109.3 Ų109.382%0.81861%0.61SS**  trans-160.586.3159.6-108.1-28.6000112.7
1348H23.1Very low26.8Very low157 Ų157112.1 Ų112.173%0.72763%0.631SS**  -163.7133127.6-100.7-34.1000111.1
1349N22.4Very low25.3Very low141 Ų141117.2 Ų117.275%0.75467%0.666SS**  trans-146.7168.7-177.4-164.2-7.7000108.3
1350I23.5Very low24.3Very low87 Ų87118.4 Ų118.445%0.44669%0.691SS.*  trans7789.4176.2-56.3111.4000116.7W927W927-I1350 HydrophobicContact CH2-CD1 3.38Å; W927-I1350 HydrophobicContact CZ2-CD1 3.55Å; W927-I1350 HydrophobicContact CZ2-CG1 4.33Å
1351S21.6Very low23.4Very low105 Ų105118.2 Ų118.273%0.73471%0.708SS**  63.6128.8106.4-152.50000121
1352S21Very low23Very low108 Ų108119.6 Ų119.676%0.75572%0.72SS**  trans-57.8136.4163.554.40000114.3
1353R19.6Very low22.7Very low234 Ų234124.7 Ų124.788%0.88375%0.747SS**  trans-145102.5152.5-159.478.8-175.8-156.31.5112.3
1354S21Very low22.3Very low94 Ų94122.3 Ų122.366%0.65775%0.745SS**  trans60.4140.8148.661.80000122.8
1355S20.8Very low22.1Very low115 Ų115127.8 Ų127.880%0.80476%0.762SS**  trans68.4109136.861.10000120.4
1356S21.5Very low21.9Very low115 Ų115129.3 Ų129.380%0.80477%0.771SS**  trans-118.5110.5144.5550000110.1
1357S21.1Very low22Very low110 Ų110126.9 Ų126.977%0.76977%0.771SS**  trans33.1102.9147.2-48.80000121.1
1358I21.4Very low21.9Very low172 Ų172125.8 Ų125.888%0.88277%0.77SS**  15.3116.8114.6-55.7162.6000116.2
1359S21.8Very low21.9Very low118 Ų118123.9 Ų123.983%0.82577%0.769SS**  trans-169.9157.1135.450.90000110.2
1360G25.6Very low21.9Very low85 Ų85122.9 Ų122.988%0.87677%0.769SS**  trans101.2108.8-177.800000113.5
1361G20.8Very low22Very low70 Ų70124.2 Ų124.272%0.72278%0.781SS**  trans-120.4-145.1168.200000110.6
1362I22.5Very low22.1Very low154 Ų154125.5 Ų125.579%0.7979%0.785SS**  trans83.1118.2171.4-55.6171.2000115.2
1363N23.4Very low22.2Very low162 Ų162126.6 Ų126.687%0.86679%0.789SS**  trans63.8151.1168-56.3-17.4000116.9
1364G20.5Very low22.4Very low62 Ų62121.4 Ų121.464%0.63979%0.789SS**  cis158164.5-3.600000111.2
1365F23.9Very low22.6Very low202 Ų202122.2 Ų122.289%0.88679%0.794SS**  trans6596.3170.1-71.9-89.3000120.3
1366T19.1Very low22.7Very low129 Ų129122.4 Ų122.479%0.79180%0.795SS**  21.1109.6121.5580000121
1367A25Very low22.9Very low91 Ų91123 Ų12375%0.75279%0.794SS**  trans-174.4116.4135.300000107.4
1368T20.1Very low23.1Very low131 Ų131124.5 Ų124.580%0.80480%0.799SS**  68.3135.171.8-48.70000114
1369T23.9Very low23.3Very low117 Ų117120.7 Ų120.772%0.71879%0.788SS**  trans85.2104.5166.46.80000120.8
1370T22Very low23.3Very low120 Ų120123.8 Ų123.874%0.73679%0.794SS**  trans80.2144.7134.133.60000125
1371T25.3Very low23.1Very low115 Ų115124.6 Ų124.671%0.70678%0.782SS**  trans74.795.5150.341.90000121.6
1372T24Very low23.2Very low132 Ų132126 Ų12681%0.8178%0.781SS**  trans66.3125132.853.40000120.6
1373P23.8Very low23.2Very low131 Ų131124.6 Ų124.685%0.85178%0.779SS**  trans-88.5158.2-179.436.8-36000113.7
1374S23.3Very low23.2Very low125 Ų125120.9 Ų120.987%0.87476%0.758SS**  trans-138.2153.4159.562.50000111
1375S25.2Very low23.3Very low111 Ų111122.2 Ų122.278%0.77676%0.755SS**  trans-87.7128.8-165.553.90000113.9
1376S23.4Very low23.2Very low118 Ų118116.9 Ų116.983%0.82574%0.738SS**  trans-94.992.3176.558.80000113.1
1377T24.3Very low23.4Very low127 Ų127119.7 Ų119.778%0.77974%0.74SS**  trans-91.7112.4162.751.60000109.7
1378T26.2Very low23.4Very low142 Ų142121.3 Ų121.387%0.87174%0.741SS**  trans-72.3126.4-178.247.30000112.4
1379S24.4Very low23.4Very low93 Ų93122.8 Ų122.865%0.6574%0.743SS**  trans-74146.8-167.5-55.50000116.1T1381S1379-T1381 PolarHBondContact O-N 3.45Å
1380L22.1Very low23.4Very low183 Ų183126.1 Ų126.196%0.95875%0.748SS**  trans-78.493154.8-75.3164.8000109
1381T21.4Very low23.7Very low101 Ų101127.8 Ų127.862%0.6275%0.752SS**  trans-134.8103-179.133.50000111.8S1379S1379-T1381 PolarHBondContact O-N 3.45Å
1382S22.4Very low23.8Very low99 Ų99129.4 Ų129.469%0.69276%0.756SS**  trans-158.3-8.4169.863.10000115.8
1383V24.1Very low23.9Very low126 Ų126130.7 Ų130.776%0.76476%0.758SS**SBendtrans-77.1-27.8-168.5178.20000113.6
1384I22.3Very low24.1Very low83 Ų83131.8 Ų131.843%0.42676%0.757SS.*SBendtrans-143.5112.3168.1-38.8173.6000108.3F1120 T1125F1120-I1384 HydrophobicContact CE2-CD1 4.48Å; T1125-I1384 HydrophobicContact CG2-CB 3.95Å; T1125-I1384 HydrophobicContact CG2-CD1 4.21Å; T1125-I1384 HydrophobicContact CG2-CG2 3.51Å
1385T24Very low24Very low91 Ų91136.2 Ų136.256%0.55876%0.756SS**  trans-147.682.7179.9-48.60000111.8K1387T1385-K1387 HydrophobicContact CG2-CB 4.25Å; T1385-K1387 PolarHBondContact O-N 2.87Å
1386T21.7Very low24Very low89 Ų89138.3 Ų138.355%0.54675%0.753SS.*  trans-73.7104.8156.537.90000108.4P1126P1126-T1386 WeakPolarHBondContact CG-O 3.08Å
1387K22.3Very low24.1Very low189 Ų189141.3 Ų141.382%0.82275%0.754SS**  trans-111.294.6174.1-152.7-178.7-173.7-171.30109.1T1385 L1389T1385-K1387 HydrophobicContact CG2-CB 4.25Å; T1385-K1387 PolarHBondContact O-N 2.87Å; K1387-L1389 PolarHBondContact O-N 3.06Å
1388T24.7Very low24Very low125 Ų125143.8 Ų143.877%0.76776%0.757SS**  trans-64121.8174.948.90000110.4
1389L21.7Very low24Very low162 Ų162145.1 Ų145.185%0.84875%0.753SS**  trans-126139.4153.2-15774000106.1K1387K1387-L1389 PolarHBondContact O-N 3.06Å
1390F22.9Very low24.1Very low187 Ų187148.8 Ų148.882%0.8276%0.76SS**  trans-79.7134.6174.1-65.6-99.1000108.7
1391D28.5Very low24.7Very low155 Ų155144.3 Ų144.383%0.82973%0.734SS**  trans-167.3161.4142.1-84.2-31.9000106.2
1392D26.8Very low26.1Very low149 Ų149143.5 Ų143.580%0.79773%0.729SS**  trans-81159.4-156-56.1-72.8000117
1393D25.7Very low27.5Very low158 Ų158146.2 Ų146.285%0.84572%0.724SS**  trans44.777.6154.6-65.6-23.2000120.1
1394D28.8Very low29.5Very low155 Ų155141 Ų14183%0.82969%0.692SS**  trans-158.3124.6136.5-128.2-27.5000112.5
1395Y20.5Very low31.8Very low218 Ų218140.8 Ų140.886%0.85569%0.691SS**  trans-117.756.8-165.9-150.5-87.6000113.5
1396H25.8Very low34.2Very low155 Ų155138 Ų13872%0.71868%0.675SS**  trans-123.9125.1178.9-90.5-85.2000115.2
1397E25.1Very low37.1Very low180 Ų180135.7 Ų135.784%0.84166%0.659SS**  trans32.890.6154.5-62.1-175.3105.400120
1398Q22.1Very low40.1Very low180 Ų180128.9 Ų128.984%0.84163%0.628SS**  trans-131.865.7158.3-65.6-167.822.800112.6Q1400Q1398-Q1400 PolarHBondContact O-N 3.4Å
1399Q26.2Very low43Very low169 Ų169122.9 Ų122.979%0.7959%0.591SS**  trans-86.994.8171.9-66.3-167.321.300111.4H1401Q1399-H1401 PolarHBondContact O-N 3.21Å; Q1399-H1401 VanDerWaalsContact O-N 3.11Å
1400Q27.7Very low46Very low170 Ų170116.9 Ų116.979%0.79456%0.558SS**  trans-67.3107.2174.1-70.2-176.9-11.300111.1Q1398 V1402Q1398-Q1400 PolarHBondContact O-N 3.4Å; Q1400-V1402 PolarHBondContact O-N 2.86Å; Q1400-V1402 VanDerWaalsContact O-N 3.08Å
1401H34.7Very low49.2Very low89 Ų89108.1 Ų108.141%0.41252%0.52SS..  trans-68.7102.7-177.4-110-108.9000112.7S1338 Q1399 R1403S1338-H1401 PolarHBondContact OG-CE1 3.39Å; S1338-H1401 PolarHBondContact OG-ND1 2.88Å; Q1399-H1401 PolarHBondContact O-N 3.21Å; Q1399-H1401 VanDerWaalsContact O-N 3.11Å; H1401-R1403 PolarHBondContact O-N 2.91Å; H1401-R1403 VanDerWaalsContact O-N 3.07Å
1402V49.5Very low52.2Low85 Ų85100.9 Ų100.952%0.51548%0.481SS..  trans-74.394.9170.8-179.10000109.5I1254 Q1400 I1404I1254-V1402 HydrophobicContact CD1-CB 4.26Å; Q1400-V1402 PolarHBondContact O-N 2.86Å; Q1400-V1402 VanDerWaalsContact O-N 3.08Å; V1402-I1404 PolarHBondContact O-N 3.36Å
1403R53Low55.1Low155 Ų15593.8 Ų93.859%0.58544%0.444SS*.  trans-57.8124.3171.1-83.7-172.4174.6-177.53.6110.3N1342 H1401N1342-R1403 VanDerWaalsContact CG-NH2 3.29Å; N1342-R1403 PolarHBondContact OD1-NH2 3.46Å; H1401-R1403 PolarHBondContact O-N 2.91Å; H1401-R1403 VanDerWaalsContact O-N 3.07Å
1404I65.6Low58.1Low18 Ų1886.7 Ų86.79%0.09241%0.406CS..  trans-69.6135167.6-74.1170.1000109.5L1257 L1334 V1402 S1406L1257-I1404 HydrophobicContact CD2-CD1 3.76Å; L1257-I1404 HydrophobicContact CD2-CG1 4.23Å; L1257-I1404 HydrophobicContact CD2-CG2 3.71Å; L1334-I1404 HydrophobicContact CD2-CD1 3.5Å; L1334-I1404 VanDerWaalsContact CD2-CD1 3.5Å; L1334-I1404 HydrophobicContact CD2-CG1 4.09Å; L1334-I1404 HydrophobicContact CG-CD1 4.14Å; V1402-I1404 PolarHBondContact O-N 3.36Å; I1404-S1406 PolarHBondContact O-N 3.15Å; I1404-S1406 VanDerWaalsContact O-N 3.12Å
1405D70.2Confident61.1Low77 Ų7780 Ų8041%0.41237%0.37SS..  trans-61.7110.1165.3166.221.1000109.5Q1407 R1408D1405-Q1407 PolarHBondContact O-N 2.95Å; D1405-Q1407 VanDerWaalsContact OD1-CB 3.22Å; D1405-Q1407 WeakPolarHBondContact OD1-CB 3.5Å; D1405-Q1407 PolarHBondContact OD1-N 2.8Å; D1405-R1408 HydrophobicContact CB-CG 3.92Å; D1405-R1408 WeakPolarHBondContact O-CB 3.28Å; D1405-R1408 PolarHBondContact O-N 3.05Å; D1405-R1408 WeakPolarHBondContact OD2-CG 3.47Å; D1405-R1408 IonicContact OD2-NE 3.75Å
1406S75.4Confident64.5Low32 Ų3269.7 Ų69.722%0.22433%0.329CS..Hα-helixtrans-47.6-35.7177.4-177.30000112.3I1404 R1408 L1409 Q1410 L1482I1404-S1406 PolarHBondContact O-N 3.15Å; I1404-S1406 VanDerWaalsContact O-N 3.12Å; S1406-R1408 VanDerWaalsContact C-N 3.28Å; S1406-R1408 PolarHBondContact O-N 2.99Å; S1406-L1409 WeakPolarHBondContact O-CB 3.27Å; S1406-L1409 PolarHBondContact O-N 3.06Å; S1406-L1409 VanDerWaalsContact O-N 3.1Å; S1406-Q1410 PolarHBondContact O-N 3.17Å; S1406-L1482 VanDerWaalsContact OG-CD2 3.24Å; S1406-L1482 WeakPolarHBondContact OG-CD2 3.45Å
1407Q81.8Confident67.3Low42 Ų4262.4 Ų62.420%0.19630%0.296CS..Hα-helixtrans-66.7-27.7-179.2-170.766.3103.900112.9D1405 D1411D1405-Q1407 PolarHBondContact O-N 2.95Å; D1405-Q1407 VanDerWaalsContact OD1-CB 3.22Å; D1405-Q1407 WeakPolarHBondContact OD1-CB 3.5Å; D1405-Q1407 PolarHBondContact OD1-N 2.8Å; Q1407-D1411 WeakPolarHBondContact O-CB 3.38Å; Q1407-D1411 PolarHBondContact O-N 3.41Å
1408R85.1Confident70.2Confident45 Ų4554.2 Ų54.217%0.1726%0.258CS..Hα-helixtrans-67.7-40.6172.3-59.7-61.1-170.4116.6-3.6111.4R1112 L1258 D1405 S1406 D1411 L1412R1112-R1408 PolarHBondContact O-NH1 3.02Å; R1112-R1408 VanDerWaalsContact O-NH1 3.17Å; R1112-R1408 PolarHBondContact O-NH2 3.44Å; L1258-R1408 HydrophobicContact CD2-CG 4.38Å; L1258-R1408 PolarHBondContact O-NH1 3.04Å; D1405-R1408 HydrophobicContact CB-CG 3.92Å; D1405-R1408 WeakPolarHBondContact O-CB 3.28Å; D1405-R1408 PolarHBondContact O-N 3.05Å; D1405-R1408 WeakPolarHBondContact OD2-CG 3.47Å; D1405-R1408 IonicContact OD2-NE 3.75Å; S1406-R1408 VanDerWaalsContact C-N 3.28Å; S1406-R1408 PolarHBondContact O-N 2.99Å; R1408-D1411 PolarHBondContact O-N 3.02Å; R1408-L1412 PolarHBondContact O-N 2.61Å
1409L86.1Confident73.3Confident0 Ų047 Ų470%023%0.227CC..Hα-helixtrans-68.6-45.6-179.8-156.266.6000110.7L1257 F1331 S1406 D1411 L1412 L1413 L1478 L1482L1257-L1409 HydrophobicContact CD2-CD1 4.27Å; F1331-L1409 HydrophobicContact CB-CD1 4.07Å; F1331-L1409 HydrophobicContact CD2-CD1 4.29Å; F1331-L1409 HydrophobicContact CG-CD1 4.37Å; S1406-L1409 WeakPolarHBondContact O-CB 3.27Å; S1406-L1409 PolarHBondContact O-N 3.06Å; S1406-L1409 VanDerWaalsContact O-N 3.1Å; L1409-D1411 PolarHBondContact O-N 3.16Å; L1409-L1412 PolarHBondContact O-N 2.65Å; L1409-L1413 HydrophobicContact CG-CD1 4.24Å; L1409-L1413 WeakPolarHBondContact O-CG 3.35Å; L1409-L1413 PolarHBondContact O-N 3.39Å; L1409-L1478 HydrophobicContact CD1-CD1 4.31Å; L1409-L1478 HydrophobicContact CD1-CD2 3.95Å; L1409-L1478 HydrophobicContact CD1-CG 4.26Å; L1409-L1478 HydrophobicContact CD2-CD1 3.93Å; L1409-L1478 HydrophobicContact CD2-CG 4.13Å; L1409-L1478 HydrophobicContact CG-CD1 4.49Å; L1409-L1478 HydrophobicContact CG-CD2 4.43Å; L1409-L1478 HydrophobicContact CG-CG 4.3Å; L1409-L1482 HydrophobicContact CB-CD1 4.26Å; L1409-L1482 HydrophobicContact CB-CD2 4.47Å; L1409-L1482 HydrophobicContact CD2-CD1 4.12Å; L1409-L1482 HydrophobicContact CD2-CD2 4.12Å; L1409-L1482 HydrophobicContact CD2-CG 4.15Å; L1409-L1482 HydrophobicContact CG-CD1 4.13Å
1410Q85Confident76Confident35 Ų3539.5 Ų39.516%0.16420%0.196CC..Hα-helixtrans-58.5-43.4172.3-72.2-178.4-7.700112.9S1406 S1414 L1482S1406-Q1410 PolarHBondContact O-N 3.17Å; Q1410-S1414 WeakPolarHBondContact O-CB 3.49Å; Q1410-S1414 PolarHBondContact O-N 3.1Å; Q1410-S1414 PolarHBondContact O-OG 2.85Å; Q1410-L1482 HydrophobicContact CG-CD1 3.89Å; Q1410-L1482 HydrophobicContact CG-CD2 4.06Å
1411D89.1Confident79Confident3 Ų331.4 Ų31.42%0.01616%0.158CC..Hα-helixtrans-62.9-44176.1-103-16.5000111.2L1105 R1108 M1109 R1112 Q1407 R1408 L1409 Y1415L1105-D1411 WeakPolarHBondContact CD2-OD1 3.17Å; R1108-D1411 IonicContact CZ-OD1 3.66Å; R1108-D1411 IonicContact NH2-OD1 3.58Å; R1108-D1411 PolarHBondContact NH2-OD1 3.43Å; M1109-D1411 HydrophobicContact CG-CB 3.87Å; M1109-D1411 HydrophobicContact SD-CB 4.18Å; R1112-D1411 IonicContact CZ-OD2 3.66Å; R1112-D1411 IonicContact NH1-OD2 2.76Å; R1112-D1411 PolarHBondContact NH1-OD2 3.02Å; Q1407-D1411 WeakPolarHBondContact O-CB 3.38Å; Q1407-D1411 PolarHBondContact O-N 3.41Å; R1408-D1411 PolarHBondContact O-N 3.02Å; L1409-D1411 PolarHBondContact O-N 3.16Å; D1411-Y1415 WeakPolarHBondContact O-CB 3.35Å; D1411-Y1415 PolarHBondContact O-N 2.79Å
1412L91.4Very high81.5Confident3 Ų327.1 Ų27.12%0.01614%0.138CC..Hα-helixtrans-63.4-49.3178.6174.461.2000112.2M1109 L1257 V1262 F1331 R1408 L1409 S1414 Y1415 I1416M1109-L1412 HydrophobicContact CE-CB 4.32Å; M1109-L1412 HydrophobicContact CE-CD1 4.15Å; L1257-L1412 HydrophobicContact CD1-CB 4.32Å; L1257-L1412 HydrophobicContact CD1-CD2 3.59Å; V1262-L1412 HydrophobicContact CB-CD1 4.11Å; V1262-L1412 HydrophobicContact CB-CD2 4.4Å; V1262-L1412 HydrophobicContact CG1-CD1 3.87Å; V1262-L1412 HydrophobicContact CG1-CD2 4.11Å; V1262-L1412 HydrophobicContact CG2-CD2 4.5Å; F1331-L1412 HydrophobicContact CD2-CD2 4.24Å; F1331-L1412 HydrophobicContact CE2-CD2 3.76Å; R1408-L1412 PolarHBondContact O-N 2.61Å; L1409-L1412 PolarHBondContact O-N 2.65Å; L1412-S1414 VanDerWaalsContact C-N 3.35Å; L1412-Y1415 WeakPolarHBondContact O-CA 3.36Å; L1412-Y1415 WeakPolarHBondContact O-CB 3.37Å; L1412-Y1415 PolarHBondContact O-N 3.12Å; L1412-I1416 HydrophobicContact CD1-CD1 4.09Å; L1412-I1416 HydrophobicContact CD1-CG1 4.25Å; L1412-I1416 HydrophobicContact CG-CD1 4.05Å; L1412-I1416 WeakPolarHBondContact O-CG1 3.43Å; L1412-I1416 PolarHBondContact O-N 3.34Å
1413L89.1Confident83.1Confident1 Ų124.6 Ų24.61%0.00512%0.121CC..Hα-helixtrans-65.3-41.5179.4-70.8163.2000111.1L1409 Y1415 I1416 V1417 L1475 L1478 L1479 L1482 L1586L1409-L1413 HydrophobicContact CG-CD1 4.24Å; L1409-L1413 WeakPolarHBondContact O-CG 3.35Å; L1409-L1413 PolarHBondContact O-N 3.39Å; L1413-Y1415 PolarHBondContact O-N 3.21Å; L1413-I1416 PolarHBondContact O-N 3.43Å; L1413-V1417 PolarHBondContact O-N 3.14Å; L1413-V1417 VanDerWaalsContact O-N 3.09Å; L1413-L1475 HydrophobicContact CD2-CD1 3.4Å; L1413-L1475 VanDerWaalsContact CD2-CD1 3.4Å; L1413-L1475 HydrophobicContact CD2-CG 4.26Å; L1413-L1478 HydrophobicContact CD1-CB 4.49Å; L1413-L1478 HydrophobicContact CD1-CD2 4.32Å; L1413-L1478 HydrophobicContact CD1-CG 4.13Å; L1413-L1478 HydrophobicContact CD2-CD2 4.22Å; L1413-L1479 HydrophobicContact CB-CD2 4.08Å; L1413-L1479 HydrophobicContact CD1-CD2 3.8Å; L1413-L1479 HydrophobicContact CD1-CG 4.18Å; L1413-L1479 HydrophobicContact CD2-CD2 4.48Å; L1413-L1479 HydrophobicContact CD2-CG 4.35Å; L1413-L1479 HydrophobicContact CG-CD2 4.34Å; L1413-L1482 HydrophobicContact CD1-CD1 3.43Å; L1413-L1482 VanDerWaalsContact CD1-CD1 3.43Å; L1413-L1586 HydrophobicContact CB-CD2 4.09Å
1414S87.1Confident84.6Confident8 Ų818.3 Ų18.36%0.05610%0.1CC..Hα-helixtrans-55.4-38.4169.4-70.80000112.4Q1410 L1412 S1418Q1410-S1414 WeakPolarHBondContact O-CB 3.49Å; Q1410-S1414 PolarHBondContact O-N 3.1Å; Q1410-S1414 PolarHBondContact O-OG 2.85Å; L1412-S1414 VanDerWaalsContact C-N 3.35Å; S1414-S1418 WeakPolarHBondContact O-CB 3.48Å; S1414-S1418 PolarHBondContact O-N 2.82Å; S1414-S1418 PolarHBondContact O-OG 3.2Å
1415Y93.1Very high85.6Confident16 Ų1617.5 Ų17.56%0.06310%0.095CC..Hα-helixtrans-71.9-46.7177.4-176.5-109.8000112.7A1102 L1105 R1106 M1109 V1266 D1267 D1411 L1412 L1413 V1417 S1418 S1419A1102-Y1415 HydrophobicContact CB-CE2 4.45Å; L1105-Y1415 HydrophobicContact CB-CD2 4.11Å; R1106-Y1415 HydrophobicContact CB-CD2 4.29Å; R1106-Y1415 HydrophobicContact CB-CE2 3.73Å; R1106-Y1415 HydrophobicContact CG-CE2 4.35Å; R1106-Y1415 PolarHBondContact NH1-OH 2.96Å; M1109-Y1415 HydrophobicContact CE-CD1 4.32Å; M1109-Y1415 HydrophobicContact CE-CG 4.15Å; M1109-Y1415 HydrophobicContact SD-CG 4.09Å; V1266-Y1415 HydrophobicContact CB-CE1 4.12Å; V1266-Y1415 HydrophobicContact CG1-CD1 4.1Å; V1266-Y1415 HydrophobicContact CG1-CE1 3.77Å; D1267-Y1415 PolarHBondContact OD1-OH 3.47Å; D1411-Y1415 WeakPolarHBondContact O-CB 3.35Å; D1411-Y1415 PolarHBondContact O-N 2.79Å; L1412-Y1415 WeakPolarHBondContact O-CA 3.36Å; L1412-Y1415 WeakPolarHBondContact O-CB 3.37Å; L1412-Y1415 PolarHBondContact O-N 3.12Å; L1413-Y1415 PolarHBondContact O-N 3.21Å; Y1415-V1417 VanDerWaalsContact C-N 3.33Å; Y1415-V1417 PolarHBondContact O-N 2.78Å; Y1415-S1418 CarbonylContact O-C 3.59Å; Y1415-S1418 PolarHBondContact O-N 3.03Å; Y1415-S1419 VanDerWaalsContact O-CB 3.31Å; Y1415-S1419 WeakPolarHBondContact O-CB 3.28Å; Y1415-S1419 PolarHBondContact O-N 2.77Å
1416I91.4Very high86.2Confident0 Ų013.9 Ų13.90%08%0.076CC..Hα-helixtrans-54.3-51.1178.1-69.8166.7000109.9V1266 L1328 L1412 L1413 S1419 F1471 L1475V1266-I1416 HydrophobicContact CG2-CG1 3.88Å; L1328-I1416 HydrophobicContact CD2-CD1 4.11Å; L1412-I1416 HydrophobicContact CD1-CD1 4.09Å; L1412-I1416 HydrophobicContact CD1-CG1 4.25Å; L1412-I1416 HydrophobicContact CG-CD1 4.05Å; L1412-I1416 WeakPolarHBondContact O-CG1 3.43Å; L1412-I1416 PolarHBondContact O-N 3.34Å; L1413-I1416 PolarHBondContact O-N 3.43Å; I1416-S1419 PolarHBondContact O-N 3.39Å; I1416-S1419 PolarHBondContact O-OG 2.94Å; I1416-F1471 HydrophobicContact CG2-CZ 3.99Å; I1416-L1475 HydrophobicContact CB-CD1 4.37Å; I1416-L1475 HydrophobicContact CD1-CD1 3.96Å; I1416-L1475 HydrophobicContact CG2-CD1 3.83Å; I1416-L1475 HydrophobicContact CG2-CD2 4.27Å
1417V85.4Confident86.2Confident3 Ų316.3 Ų16.32%0.0189%0.086CC..Hα-helixtrans-70.1-38178.9176.30000111.9R1098 L1413 Y1415 S1419 V1422 L1586 T1589 I1590R1098-V1417 PolarHBondContact NE-O 2.97Å; R1098-V1417 PolarHBondContact NH2-O 3.31Å; L1413-V1417 PolarHBondContact O-N 3.14Å; L1413-V1417 VanDerWaalsContact O-N 3.09Å; Y1415-V1417 VanDerWaalsContact C-N 3.33Å; Y1415-V1417 PolarHBondContact O-N 2.78Å; V1417-S1419 VanDerWaalsContact C-N 3.26Å; V1417-S1419 PolarHBondContact O-N 3.46Å; V1417-V1422 HydrophobicContact CG2-CG2 4.31Å; V1417-L1586 HydrophobicContact CB-CD1 3.94Å; V1417-L1586 HydrophobicContact CB-CD2 4.39Å; V1417-L1586 HydrophobicContact CB-CG 4.1Å; V1417-L1586 HydrophobicContact CG1-CD1 4.07Å; V1417-L1586 HydrophobicContact CG1-CG 4.18Å; V1417-L1586 HydrophobicContact CG2-CD1 4.33Å; V1417-L1586 HydrophobicContact CG2-CD2 3.88Å; V1417-L1586 HydrophobicContact CG2-CG 3.95Å; V1417-T1589 HydrophobicContact CG1-CG2 3.37Å; V1417-I1590 HydrophobicContact CG2-CD1 4.24Å; V1417-I1590 HydrophobicContact CG2-CG1 4.22Å
1418S86.4Confident86Confident8 Ų815.3 Ų15.36%0.0568%0.08CC..Hα-helixtrans-69.8-19176.1-60.30000113.9A1102 L1105 S1414 Y1415 G1420A1102-S1418 WeakPolarHBondContact CB-O 3.46Å; L1105-S1418 WeakPolarHBondContact CD1-OG 3.05Å; S1414-S1418 WeakPolarHBondContact O-CB 3.48Å; S1414-S1418 PolarHBondContact O-N 2.82Å; S1414-S1418 PolarHBondContact O-OG 3.2Å; Y1415-S1418 CarbonylContact O-C 3.59Å; Y1415-S1418 PolarHBondContact O-N 3.03Å; S1418-G1420 VanDerWaalsContact C-N 3.33Å; S1418-G1420 PolarHBondContact O-N 3.25Å
1419S86.3Confident85.8Confident27 Ų2713.3 Ų13.319%0.1897%0.073CC..THydrogen-bonded Turntrans-72.5-23.4-174.873.20000114.2Y1415 I1416 V1417 L1421Y1415-S1419 VanDerWaalsContact O-CB 3.31Å; Y1415-S1419 WeakPolarHBondContact O-CB 3.28Å; Y1415-S1419 PolarHBondContact O-N 2.77Å; I1416-S1419 PolarHBondContact O-N 3.39Å; I1416-S1419 PolarHBondContact O-OG 2.94Å; V1417-S1419 VanDerWaalsContact C-N 3.26Å; V1417-S1419 PolarHBondContact O-N 3.46Å; S1419-L1421 VanDerWaalsContact OG-CB 3.26Å; S1419-L1421 WeakPolarHBondContact OG-CB 3.41Å; S1419-L1421 PolarHBondContact OG-N 3.46Å; S1419-L1421 VanDerWaalsContact OG-N 3.11Å
1420G83.6Confident85.1Confident12 Ų1215.3 Ų15.312%0.1249%0.087CC..THydrogen-bonded Turntrans881.6-169.300000114.4S1418 V1422 D1423 L1424S1418-G1420 VanDerWaalsContact C-N 3.33Å; S1418-G1420 PolarHBondContact O-N 3.25Å; G1420-V1422 VanDerWaalsContact C-N 3.33Å; G1420-V1422 PolarHBondContact O-N 2.88Å; G1420-D1423 WeakPolarHBondContact O-CB 3.42Å; G1420-D1423 PolarHBondContact O-N 3.21Å; G1420-L1424 WeakPolarHBondContact O-CG 3.37Å; G1420-L1424 PolarHBondContact O-N 2.69Å
1421L90.2Very high84.5Confident0 Ų016.4 Ų16.40%09%0.094CC..Hα-helixtrans-58.2-42.2176.3-175.1154.1000112.4V1266 L1269 V1270 L1324 S1419 L1424 I1425 F1471V1266-L1421 HydrophobicContact CG1-CD1 4.06Å; L1269-L1421 HydrophobicContact CB-CD1 3.7Å; L1269-L1421 HydrophobicContact CD1-CD1 4Å; V1270-L1421 HydrophobicContact CG2-CB 3.76Å; V1270-L1421 HydrophobicContact CG2-CD1 4.39Å; V1270-L1421 HydrophobicContact CG2-CG 4.43Å; L1324-L1421 HydrophobicContact CD2-CD1 4.34Å; S1419-L1421 VanDerWaalsContact OG-CB 3.26Å; S1419-L1421 WeakPolarHBondContact OG-CB 3.41Å; S1419-L1421 PolarHBondContact OG-N 3.46Å; S1419-L1421 VanDerWaalsContact OG-N 3.11Å; L1421-L1424 PolarHBondContact O-N 3.26Å; L1421-I1425 HydrophobicContact CD2-CD1 3.6Å; L1421-I1425 HydrophobicContact CD2-CG1 4.38Å; L1421-I1425 WeakPolarHBondContact O-CG1 3.46Å; L1421-I1425 PolarHBondContact O-N 3.28Å; L1421-F1471 HydrophobicContact CD2-CD1 4.35Å; L1421-F1471 HydrophobicContact CD2-CE1 3.4Å; L1421-F1471 VanDerWaalsContact CD2-CE1 3.4Å; L1421-F1471 HydrophobicContact CD2-CE2 4.45Å; L1421-F1471 HydrophobicContact CD2-CZ 3.47Å; L1421-F1471 VanDerWaalsContact CD2-CZ 3.47Å
1422V87.3Confident83.2Confident0 Ų020.9 Ų20.90%012%0.123CC..Hα-helixtrans-62.7-49.4177.6-177.90000110.2V1417 G1420 L1424 I1425 S1426 L1472 L1475 T1593 V1595V1417-V1422 HydrophobicContact CG2-CG2 4.31Å; G1420-V1422 VanDerWaalsContact C-N 3.33Å; G1420-V1422 PolarHBondContact O-N 2.88Å; V1422-L1424 VanDerWaalsContact C-N 3.28Å; V1422-L1424 PolarHBondContact O-N 2.91Å; V1422-I1425 PolarHBondContact O-N 3.39Å; V1422-S1426 PolarHBondContact O-N 3.21Å; V1422-S1426 PolarHBondContact O-OG 3.37Å; V1422-S1426 VanDerWaalsContact O-OG 3.11Å; V1422-L1472 HydrophobicContact CG1-CD2 4.31Å; V1422-L1475 HydrophobicContact CG2-CD2 4.11Å; V1422-T1593 HydrophobicContact CG1-CG2 4.42Å; V1422-V1595 HydrophobicContact CG1-CG2 4.01Å
1423D82Confident82.1Confident31 Ų3126.1 Ų26.117%0.16615%0.145CC..Hα-helixtrans-52.9-46.6176.1-39.3-5000111.3R1098 G1420 I1425 S1426 I1427 T1593R1098-D1423 IonicContact CZ-OD1 3.37Å; R1098-D1423 IonicContact CZ-OD2 3.5Å; R1098-D1423 VanDerWaalsContact CZ-OD2 3.24Å; R1098-D1423 IonicContact NH1-OD1 2.68Å; R1098-D1423 PolarHBondContact NH1-OD1 2.71Å; R1098-D1423 IonicContact NH1-OD2 2.78Å; R1098-D1423 PolarHBondContact NH1-OD2 3.04Å; R1098-D1423 IonicContact NH2-OD1 3.08Å; R1098-D1423 PolarHBondContact NH2-OD1 3.04Å; R1098-D1423 IonicContact NH2-OD2 3.08Å; G1420-D1423 WeakPolarHBondContact O-CB 3.42Å; G1420-D1423 PolarHBondContact O-N 3.21Å; D1423-I1425 VanDerWaalsContact C-N 3.34Å; D1423-I1425 PolarHBondContact O-N 2.94Å; D1423-S1426 PolarHBondContact O-N 3.05Å; D1423-I1427 WeakPolarHBondContact O-CB 3.34Å; D1423-I1427 WeakPolarHBondContact O-CD1 3.29Å; D1423-I1427 VanDerWaalsContact O-CG1 3.23Å; D1423-I1427 WeakPolarHBondContact O-CG1 3.49Å; D1423-I1427 PolarHBondContact O-N 2.89Å; D1423-T1593 VanDerWaalsContact OD1-CG2 3.25Å; D1423-T1593 WeakPolarHBondContact OD1-CG2 3.02Å
1424L85.5Confident81Confident24 Ų2426.9 Ų26.913%0.12615%0.149CC..Hα-helixtrans-65.9-32.9179.9-73.4168.4000113V1270 F1273 I1277 G1420 L1421 V1422 R1428V1270-L1424 HydrophobicContact CB-CD1 4.47Å; V1270-L1424 HydrophobicContact CG1-CD1 4.06Å; F1273-L1424 HydrophobicContact CB-CB 4.04Å; F1273-L1424 HydrophobicContact CB-CD1 4.11Å; F1273-L1424 HydrophobicContact CB-CG 4.5Å; I1277-L1424 HydrophobicContact CD1-CD2 3.74Å; G1420-L1424 WeakPolarHBondContact O-CG 3.37Å; G1420-L1424 PolarHBondContact O-N 2.69Å; L1421-L1424 PolarHBondContact O-N 3.26Å; V1422-L1424 VanDerWaalsContact C-N 3.28Å; V1422-L1424 PolarHBondContact O-N 2.91Å; L1424-R1428 WeakPolarHBondContact O-CG 3.31Å
1425I86.2Confident79.8Confident0 Ų027 Ų270%015%0.15CC..Hα-helixtrans-75-44.3173.3-70.5178.4000110.2F1273 L1321 L1421 V1422 D1423 I1427 R1428 L1429 F1471 L1472F1273-I1425 HydrophobicContact CD2-CG1 4.4Å; F1273-I1425 HydrophobicContact CE2-CD1 4.14Å; F1273-I1425 HydrophobicContact CE2-CG1 3.88Å; F1273-I1425 HydrophobicContact CZ-CD1 4.49Å; F1273-I1425 HydrophobicContact CZ-CG1 4.11Å; L1321-I1425 HydrophobicContact CD1-CD1 4.08Å; L1421-I1425 HydrophobicContact CD2-CD1 3.6Å; L1421-I1425 HydrophobicContact CD2-CG1 4.38Å; L1421-I1425 WeakPolarHBondContact O-CG1 3.46Å; L1421-I1425 PolarHBondContact O-N 3.28Å; V1422-I1425 PolarHBondContact O-N 3.39Å; D1423-I1425 VanDerWaalsContact C-N 3.34Å; D1423-I1425 PolarHBondContact O-N 2.94Å; I1425-I1427 PolarHBondContact O-N 3.45Å; I1425-R1428 WeakPolarHBondContact O-CB 3.39Å; I1425-R1428 PolarHBondContact O-N 2.9Å; I1425-L1429 HydrophobicContact CG2-CD1 3.75Å; I1425-L1429 HydrophobicContact CG2-CG 4.26Å; I1425-L1429 WeakPolarHBondContact O-CG 3.46Å; I1425-L1429 PolarHBondContact O-N 3.17Å; I1425-F1471 HydrophobicContact CD1-CD1 3.68Å; I1425-F1471 HydrophobicContact CD1-CE1 3.92Å; I1425-L1472 HydrophobicContact CG2-CD1 4.33Å
1426S81.8Confident78.2Confident1 Ų131.7 Ų31.71%0.00718%0.177CC..Hα-helixtrans-56-49.4177-61.50000111.8V1422 D1423 R1428 L1429 S1430 V1595V1422-S1426 PolarHBondContact O-N 3.21Å; V1422-S1426 PolarHBondContact O-OG 3.37Å; V1422-S1426 VanDerWaalsContact O-OG 3.11Å; D1423-S1426 PolarHBondContact O-N 3.05Å; S1426-R1428 PolarHBondContact O-N 3.12Å; S1426-R1428 VanDerWaalsContact O-N 3.07Å; S1426-L1429 PolarHBondContact O-N 3.42Å; S1426-S1430 PolarHBondContact O-N 3.47Å; S1426-S1430 PolarHBondContact O-OG 3.15Å; S1426-S1430 VanDerWaalsContact O-OG 3.08Å; S1426-V1595 WeakPolarHBondContact OG-CG2 3.42Å; S1426-V1595 PolarHBondContact OG-N 3.02Å
1427I75.8Confident76.8Confident84 Ų8437 Ų3743%0.43120%0.197SC..Hα-helixtrans-61.6-17.2177.3-68.3163.9000113D1423 I1425D1423-I1427 WeakPolarHBondContact O-CB 3.34Å; D1423-I1427 WeakPolarHBondContact O-CD1 3.29Å; D1423-I1427 VanDerWaalsContact O-CG1 3.23Å; D1423-I1427 WeakPolarHBondContact O-CG1 3.49Å; D1423-I1427 PolarHBondContact O-N 2.89Å; I1425-I1427 PolarHBondContact O-N 3.45Å
1428R78.7Confident75.7Confident21 Ų2137.1 Ų37.18%0.07920%0.197CC..Hα-helixtrans-84.5-49168.8-65-55.6-169.1112.914.3112S1276 I1277 L1424 I1425 S1426 S1430 N1431 Q1434 F1464S1276-R1428 PolarHBondContact O-NH2 3.36Å; I1277-R1428 VanDerWaalsContact N-NH2 3.19Å; L1424-R1428 WeakPolarHBondContact O-CG 3.31Å; I1425-R1428 WeakPolarHBondContact O-CB 3.39Å; I1425-R1428 PolarHBondContact O-N 2.9Å; S1426-R1428 PolarHBondContact O-N 3.12Å; S1426-R1428 VanDerWaalsContact O-N 3.07Å; R1428-S1430 VanDerWaalsContact C-N 3.28Å; R1428-S1430 PolarHBondContact O-N 3.13Å; R1428-N1431 WeakPolarHBondContact O-CB 3.45Å; R1428-N1431 PolarHBondContact O-N 3.39Å; R1428-Q1434 VanDerWaalsContact O-CD 3.28Å; R1428-Q1434 PolarHBondContact O-OE1 3.29Å; R1428-F1464 HydrophobicContact CB-CE1 3.6Å; R1428-F1464 HydrophobicContact CB-CZ 3.55Å; R1428-F1464 HydrophobicContact CG-CE1 4.34Å; R1428-F1464 HydrophobicContact CG-CZ 3.95Å
1429L80Confident74.3Confident2 Ų238.9 Ų38.91%0.0121%0.21CC..Hα-helixtrans-63.6-33.6-179.1-64.2171.6000112.1I1425 S1426 N1431 F1464 V1465 L1472 L1598I1425-L1429 HydrophobicContact CG2-CD1 3.75Å; I1425-L1429 HydrophobicContact CG2-CG 4.26Å; I1425-L1429 WeakPolarHBondContact O-CG 3.46Å; I1425-L1429 PolarHBondContact O-N 3.17Å; S1426-L1429 PolarHBondContact O-N 3.42Å; L1429-N1431 VanDerWaalsContact C-N 3.26Å; L1429-N1431 PolarHBondContact O-N 2.91Å; L1429-F1464 HydrophobicContact CD2-CE1 4.36Å; L1429-V1465 HydrophobicContact CD2-CB 4.46Å; L1429-V1465 HydrophobicContact CD2-CG1 4.31Å; L1429-V1465 HydrophobicContact CD2-CG2 4.09Å; L1429-L1472 HydrophobicContact CD1-CD1 4.01Å; L1429-L1598 HydrophobicContact CB-CD2 4.22Å; L1429-L1598 HydrophobicContact CD1-CD1 4.34Å; L1429-L1598 HydrophobicContact CD1-CD2 3.99Å; L1429-L1598 HydrophobicContact CD1-CG 4.17Å; L1429-L1598 HydrophobicContact CD2-CD2 4.07Å; L1429-L1598 HydrophobicContact CG-CD2 4.32Å
1430S71.8Confident72.8Confident43 Ų4340.3 Ų40.330%0.30122%0.219SC..THydrogen-bonded Turntrans-78.2-1173.364.50000114.1S1426 R1428 P1432 E1594S1426-S1430 PolarHBondContact O-N 3.47Å; S1426-S1430 PolarHBondContact O-OG 3.15Å; S1426-S1430 VanDerWaalsContact O-OG 3.08Å; R1428-S1430 VanDerWaalsContact C-N 3.28Å; R1428-S1430 PolarHBondContact O-N 3.13Å; S1430-P1432 VanDerWaalsContact O-CD 3.29Å; S1430-P1432 WeakPolarHBondContact O-CD 3.46Å; S1430-E1594 WeakPolarHBondContact CB-OE2 3.47Å; S1430-E1594 PolarHBondContact OG-OE2 3.48Å
1431N71.7Confident71.4Confident58 Ų5841.9 Ų41.931%0.3123%0.226SC..  trans-78.3112.6-178.5-167.3-51.6000111.1R1428 L1429 K1433 Q1434R1428-N1431 WeakPolarHBondContact O-CB 3.45Å; R1428-N1431 PolarHBondContact O-N 3.39Å; L1429-N1431 VanDerWaalsContact C-N 3.26Å; L1429-N1431 PolarHBondContact O-N 2.91Å; N1431-K1433 PolarHBondContact O-N 2.95Å; N1431-K1433 WeakPolarHBondContact OD1-CB 3.44Å; N1431-K1433 PolarHBondContact OD1-N 3.28Å; N1431-K1433 VanDerWaalsContact OD1-N 3.16Å; N1431-Q1434 HydrophobicContact CB-CG 4.41Å; N1431-Q1434 WeakPolarHBondContact O-CB 3.38Å; N1431-Q1434 PolarHBondContact O-N 3.4Å
1432P62.6Low69.4Low96 Ų9643.3 Ų43.362%0.62323%0.234SC*.Hα-helixtrans-63.9-19.5-172.725.7-35.3000113.3S1430 Q1434 A1435 N1436S1430-P1432 VanDerWaalsContact O-CD 3.29Å; S1430-P1432 WeakPolarHBondContact O-CD 3.46Å; P1432-Q1434 PolarHBondContact O-N 2.89Å; P1432-A1435 WeakPolarHBondContact O-CB 3.25Å; P1432-A1435 PolarHBondContact O-N 3.45Å; P1432-N1436 PolarHBondContact O-N 3.06Å; P1432-N1436 PolarHBondContact O-OD1 2.97Å
1433K67.3Low67.2Low113 Ų11347.6 Ų47.649%0.49126%0.257SS..Hα-helixtrans-63.4-32172.7-60.7-174.6179.1-1770111.8N1431 N1436 W1437N1431-K1433 PolarHBondContact O-N 2.95Å; N1431-K1433 WeakPolarHBondContact OD1-CB 3.44Å; N1431-K1433 PolarHBondContact OD1-N 3.28Å; N1431-K1433 VanDerWaalsContact OD1-N 3.16Å; K1433-N1436 PolarHBondContact O-N 3Å; K1433-W1437 PolarHBondContact O-N 2.91Å
1434Q67.8Low64.9Low17 Ų1751 Ų518%0.07928%0.275CS..Hα-helixtrans-64.8-39.3176.3-66.8-162.9-20.200111.6R1428 N1431 P1432 N1436 W1437 L1438R1428-Q1434 VanDerWaalsContact O-CD 3.28Å; R1428-Q1434 PolarHBondContact O-OE1 3.29Å; N1431-Q1434 HydrophobicContact CB-CG 4.41Å; N1431-Q1434 WeakPolarHBondContact O-CB 3.38Å; N1431-Q1434 PolarHBondContact O-N 3.4Å; P1432-Q1434 PolarHBondContact O-N 2.89Å; Q1434-N1436 VanDerWaalsContact C-N 3.31Å; Q1434-N1436 PolarHBondContact O-N 3.28Å; Q1434-W1437 PolarHBondContact O-N 3.16Å; Q1434-L1438 VanDerWaalsContact O-CG 3.3Å; Q1434-L1438 WeakPolarHBondContact O-CG 3.37Å; Q1434-L1438 PolarHBondContact O-N 3.29Å
1435A60.1Low62.6Low10 Ų1055.6 Ų55.68%0.08330%0.304CS..Hα-helixtrans-57.3-44.8171.600000111.4P1432 L1438 S1439 L1601 C1604P1432-A1435 WeakPolarHBondContact O-CB 3.25Å; P1432-A1435 PolarHBondContact O-N 3.45Å; A1435-L1438 PolarHBondContact O-N 2.69Å; A1435-S1439 WeakPolarHBondContact O-CB 3.22Å; A1435-S1439 PolarHBondContact O-N 3.26Å; A1435-L1601 HydrophobicContact CB-CD1 3.76Å; A1435-C1604 HydrophobicContact CB-CB 4.39Å
1436N60.3Low60Low116 Ų11663 Ų6362%0.6234%0.344SS*.Hα-helixtrans-66.4-39.5178.4-65.59.1000113P1432 K1433 Q1434 S1439 S1440P1432-N1436 PolarHBondContact O-N 3.06Å; P1432-N1436 PolarHBondContact O-OD1 2.97Å; K1433-N1436 PolarHBondContact O-N 3Å; Q1434-N1436 VanDerWaalsContact C-N 3.31Å; Q1434-N1436 PolarHBondContact O-N 3.28Å; N1436-S1439 PolarHBondContact O-N 2.9Å; N1436-S1440 WeakPolarHBondContact O-CB 3.33Å; N1436-S1440 PolarHBondContact O-N 3.24Å
1437W62.3Low57.6Low112 Ų11270.2 Ų70.242%0.42438%0.381SS..Hα-helixtrans-62.6-42.3173.6-71.7109.8000111.6K1433 Q1434 S1457 T1458 C1461K1433-W1437 PolarHBondContact O-N 2.91Å; Q1434-W1437 PolarHBondContact O-N 3.16Å; W1437-S1457 WeakPolarHBondContact CZ3-OG 3.23Å; W1437-T1458 WeakPolarHBondContact O-CG2 3.41Å; W1437-C1461 HydrophobicContact CB-CB 4.32Å
1438L62.3Low55.7Low5 Ų568.6 Ų68.63%0.02639%0.385CS..Hα-helixtrans-68.8-39.5177.8-68.3173.4000112.6Q1434 A1435 V1441 Q1462 V1465 L1601 L1605 I1688Q1434-L1438 VanDerWaalsContact O-CG 3.3Å; Q1434-L1438 WeakPolarHBondContact O-CG 3.37Å; Q1434-L1438 PolarHBondContact O-N 3.29Å; A1435-L1438 PolarHBondContact O-N 2.69Å; L1438-V1441 WeakPolarHBondContact O-CB 3.41Å; L1438-V1441 WeakPolarHBondContact O-CG2 3.25Å; L1438-V1441 PolarHBondContact O-N 3.43Å; L1438-Q1462 HydrophobicContact CD2-CB 4.3Å; L1438-Q1462 HydrophobicContact CD2-CG 3.54Å; L1438-V1465 HydrophobicContact CD1-CG2 4.36Å; L1438-L1601 HydrophobicContact CD1-CD1 4.5Å; L1438-L1605 HydrophobicContact CB-CD2 3.63Å; L1438-L1605 HydrophobicContact CD1-CD1 4.09Å; L1438-L1605 HydrophobicContact CD1-CD2 4.12Å; L1438-I1688 HydrophobicContact CD1-CD1 4.13Å; L1438-I1688 HydrophobicContact CD2-CD1 3.93Å
1439S57.4Low53.6Low45 Ų4577.4 Ų77.432%0.31543%0.426SS..Hα-helixtrans-67.2-37.3176172.80000112.4A1435 N1436 V1441 N1442A1435-S1439 WeakPolarHBondContact O-CB 3.22Å; A1435-S1439 PolarHBondContact O-N 3.26Å; N1436-S1439 PolarHBondContact O-N 2.9Å; S1439-V1441 PolarHBondContact O-N 3.42Å; S1439-N1442 VanDerWaalsContact O-CB 3.29Å; S1439-N1442 WeakPolarHBondContact O-CB 3.32Å; S1439-N1442 PolarHBondContact O-N 3.48Å
1440S54.7Low51.5Low56 Ų5679.8 Ų79.839%0.39244%0.443SS..G310 helixtrans-59.1-17.8179-168.70000114.4N1436 N1442 N1444N1436-S1440 WeakPolarHBondContact O-CB 3.33Å; N1436-S1440 PolarHBondContact O-N 3.24Å; S1440-N1442 PolarHBondContact O-N 3.02Å; S1440-N1444 PolarHBondContact O-ND2 3.38Å; S1440-N1444 VanDerWaalsContact O-ND2 3.08Å
1441V52.8Low50Low45 Ų4580.7 Ų80.727%0.27345%0.445SS..G310 helixtrans-56.1-38.4170.3-1780000111.5L1438 S1439 N1443 T1458 Q1462L1438-V1441 WeakPolarHBondContact O-CB 3.41Å; L1438-V1441 WeakPolarHBondContact O-CG2 3.25Å; L1438-V1441 PolarHBondContact O-N 3.43Å; S1439-V1441 PolarHBondContact O-N 3.42Å; V1441-N1443 PolarHBondContact O-N 2.86Å; V1441-T1458 HydrophobicContact CG2-CG2 3.43Å; V1441-T1458 VanDerWaalsContact CG2-CG2 3.43Å; V1441-Q1462 VanDerWaalsContact CG2-NE2 3.28Å
1442N49.3Very low48.7Very low30 Ų3082.1 Ų82.116%0.1646%0.459CS..G310 helixtrans-72.70.9-170-152.925.1000114.7S1439 S1440 D1608 K1610 S1681S1439-N1442 VanDerWaalsContact O-CB 3.29Å; S1439-N1442 WeakPolarHBondContact O-CB 3.32Å; S1439-N1442 PolarHBondContact O-N 3.48Å; S1440-N1442 PolarHBondContact O-N 3.02Å; N1442-D1608 PolarHBondContact ND2-OD2 2.77Å; N1442-K1610 WeakPolarHBondContact ND2-CB 3.1Å; N1442-S1681 PolarHBondContact ND2-OG 2.84Å; N1442-S1681 WeakPolarHBondContact OD1-CB 3.35Å; N1442-S1681 PolarHBondContact OD1-OG 3.41Å
1443N40.1Very low47.8Very low91 Ų9182 Ų8249%0.48745%0.453SS..G310 helixtrans-121.44.4-169.5-72.6-32.9000115V1441 K1610V1441-N1443 PolarHBondContact O-N 2.86Å; N1443-K1610 PolarHBondContact OD1-NZ 3.38Å
1444N35.2Very low47.4Very low101 Ų10179 Ų7954%0.5445%0.446SS..  trans-106.347.7-172.6-76.2-79.8000114.7S1440S1440-N1444 PolarHBondContact O-ND2 3.38Å; S1440-N1444 VanDerWaalsContact O-ND2 3.08Å
1445T37.2Very low47.1Very low121 Ų12184.4 Ų84.474%0.74247%0.469SS*.SBendtrans-88.4130.9154.349.70000109.1
1446D31.2Very low47.4Very low155 Ų15589 Ų8983%0.82949%0.489SS*.SBendtrans5880.1171.1-55.8-32.1000118.1
1447I32Very low47.7Very low154 Ų15484.8 Ų84.879%0.7947%0.468SS*.  trans-158.1144.8143.9-101146000109.6
1448G34Very low48.1Very low49 Ų4980.3 Ų80.351%0.50545%0.454SS..  trans-86.7140-166.500000116.7S1450G1448-S1450 PolarHBondContact O-N 2.77Å
1449H35.3Very low48.9Very low206 Ų20684.7 Ų84.795%0.95447%0.474SS*.SBendtrans61.63.9140-68.382.7000121.6
1450S35.5Very low50Low52 Ų5284.2 Ų84.236%0.36447%0.465SS..SBendtrans-104.4-11.8171.656.50000115.8G1448G1448-S1450 PolarHBondContact O-N 2.77Å
1451N40.5Very low51.2Low63 Ų6382.2 Ų82.234%0.33745%0.451SS..  trans-109.543.5-157.2-67.24.1000114.8S1454 K1455N1451-S1454 PolarHBondContact O-OG 2.71Å; N1451-K1455 WeakPolarHBondContact O-CG 3.49Å
1452S44.9Very low52.7Low88 Ų8881.1 Ų81.162%0.61544%0.443SS*.Hα-helixtrans-72.6-47.5175.252.60000112.6S1454 K1455 Q1456S1452-S1454 VanDerWaalsContact C-N 3.33Å; S1452-S1454 PolarHBondContact O-N 2.89Å; S1452-K1455 PolarHBondContact O-N 3.33Å; S1452-Q1456 PolarHBondContact O-N 3.5Å
1453I44.2Very low54.5Low94 Ų9484.7 Ų84.748%0.48246%0.459SS..Hα-helixtrans-61.2-40.6-176-61.3173.2000111.4Q1456 S1457I1453-Q1456 PolarHBondContact O-N 3.41Å; I1453-S1457 PolarHBondContact O-N 2.97Å; I1453-S1457 VanDerWaalsContact O-N 3.17Å; I1453-S1457 PolarHBondContact O-OG 3.3Å
1454S57.5Low56.8Low49 Ų4980.6 Ų80.634%0.34344%0.437SS..Hα-helixtrans-73.1-24.6-179.952.20000113.9N1451 S1452 S1457 T1458N1451-S1454 PolarHBondContact O-OG 2.71Å; S1452-S1454 VanDerWaalsContact C-N 3.33Å; S1452-S1454 PolarHBondContact O-N 2.89Å; S1454-S1457 WeakPolarHBondContact CA-OG 3.18Å; S1454-S1457 PolarHBondContact O-OG 3.05Å; S1454-S1457 VanDerWaalsContact O-OG 3.1Å; S1454-T1458 WeakPolarHBondContact O-CB 3.34Å; S1454-T1458 PolarHBondContact O-N 3.49Å; S1454-T1458 PolarHBondContact O-OG1 3.16Å
1455K62.9Low59.2Low130 Ų13075.8 Ų75.857%0.56541%0.411SS*.Hα-helixtrans-68.3-52.4170.4-74.6-174176.2-164.60110.7N1451 S1452 S1457 T1458 E1459N1451-K1455 WeakPolarHBondContact O-CG 3.49Å; S1452-K1455 PolarHBondContact O-N 3.33Å; K1455-S1457 VanDerWaalsContact C-N 3.33Å; K1455-S1457 PolarHBondContact O-N 3.29Å; K1455-T1458 WeakPolarHBondContact O-CA 3.44Å; K1455-T1458 WeakPolarHBondContact O-CB 3.3Å; K1455-T1458 PolarHBondContact O-N 2.95Å; K1455-E1459 WeakPolarHBondContact O-CG 3.15Å; K1455-E1459 PolarHBondContact O-N 2.86Å
1456Q66.1Low61.8Low107 Ų10771.7 Ų71.750%0.538%0.384SS..Hα-helixtrans-60.7-38.5-178.1-167.7179.77.100113.1V1311 S1452 I1453 T1458 Y1460V1311-Q1456 HydrophobicContact CG1-CG 4.04Å; S1452-Q1456 PolarHBondContact O-N 3.5Å; I1453-Q1456 PolarHBondContact O-N 3.41Å; Q1456-T1458 VanDerWaalsContact C-N 3.26Å; Q1456-T1458 PolarHBondContact O-N 2.88Å; Q1456-Y1460 PolarHBondContact O-N 2.88Å; Q1456-Y1460 VanDerWaalsContact O-N 3.1Å
1457S66Low64.6Low28 Ų2864.7 Ų64.720%0.19635%0.347CS..Hα-helixtrans-65.4-30.2174.461.30000113.1W1437 I1453 S1454 K1455 C1461W1437-S1457 WeakPolarHBondContact CZ3-OG 3.23Å; I1453-S1457 PolarHBondContact O-N 2.97Å; I1453-S1457 VanDerWaalsContact O-N 3.17Å; I1453-S1457 PolarHBondContact O-OG 3.3Å; S1454-S1457 WeakPolarHBondContact CA-OG 3.18Å; S1454-S1457 PolarHBondContact O-OG 3.05Å; S1454-S1457 VanDerWaalsContact O-OG 3.1Å; K1455-S1457 VanDerWaalsContact C-N 3.33Å; K1455-S1457 PolarHBondContact O-N 3.29Å; S1457-C1461 PolarHBondContact O-N 3.45Å; S1457-C1461 PolarHBondContact O-SG 3.41Å; S1457-C1461 VanDerWaalsContact O-SG 3.37Å
1458T71.1Confident67.4Low18 Ų1857.3 Ų57.311%0.1131%0.31CS..Hα-helixtrans-81.3-42.8-179.1-550000111.4W1437 V1441 S1454 K1455 Q1456 Y1460 C1461 Q1462W1437-T1458 WeakPolarHBondContact O-CG2 3.41Å; V1441-T1458 HydrophobicContact CG2-CG2 3.43Å; V1441-T1458 VanDerWaalsContact CG2-CG2 3.43Å; S1454-T1458 WeakPolarHBondContact O-CB 3.34Å; S1454-T1458 PolarHBondContact O-N 3.49Å; S1454-T1458 PolarHBondContact O-OG1 3.16Å; K1455-T1458 WeakPolarHBondContact O-CA 3.44Å; K1455-T1458 WeakPolarHBondContact O-CB 3.3Å; K1455-T1458 PolarHBondContact O-N 2.95Å; Q1456-T1458 VanDerWaalsContact C-N 3.26Å; Q1456-T1458 PolarHBondContact O-N 2.88Å; T1458-Y1460 VanDerWaalsContact C-N 3.29Å; T1458-Y1460 PolarHBondContact O-N 3.19Å; T1458-C1461 WeakPolarHBondContact O-CB 3.1Å; T1458-C1461 PolarHBondContact O-N 2.93Å; T1458-C1461 VanDerWaalsContact O-N 3.11Å; T1458-Q1462 WeakPolarHBondContact O-CG 2.86Å; T1458-Q1462 PolarHBondContact O-N 2.75Å
1459E78.1Confident70.1Confident96 Ų9655 Ų5545%0.44929%0.286SS..Hα-helixtrans-55.7-43.4171.1-71.4164.8-15200111.4K1455 Q1462 Q1463K1455-E1459 WeakPolarHBondContact O-CG 3.15Å; K1455-E1459 PolarHBondContact O-N 2.86Å; E1459-Q1462 PolarHBondContact O-N 3.05Å; E1459-Q1463 WeakPolarHBondContact O-CG 3.44Å; E1459-Q1463 PolarHBondContact O-N 2.86Å
1460Y80.9Confident72.8Confident36 Ų3646.8 Ų46.814%0.14125%0.253CS..Hα-helixtrans-62.1-45.1173.4170.3-107.4000112.6Y1314 L1318 Q1456 T1458 Q1462 Q1463 F1464Y1314-Y1460 AromaticContact CD1-CE1 3.81Å; Y1314-Y1460 HydrophobicContact CD1-CE1 3.81Å; Y1314-Y1460 AromaticContact CD1-CZ 3.89Å; Y1314-Y1460 HydrophobicContact CD2-CD1 4.43Å; Y1314-Y1460 HydrophobicContact CD2-CE1 4.35Å; Y1314-Y1460 HydrophobicContact CG-CD1 4.15Å; Y1314-Y1460 AromaticContact CG-CE1 3.72Å; Y1314-Y1460 HydrophobicContact CG-CE1 3.72Å; Y1314-Y1460 HydrophobicContact CG-CE2 4.42Å; Y1314-Y1460 AromaticContact CG-CZ 3.88Å; L1318-Y1460 HydrophobicContact CB-CE2 4.39Å; Q1456-Y1460 PolarHBondContact O-N 2.88Å; Q1456-Y1460 VanDerWaalsContact O-N 3.1Å; T1458-Y1460 VanDerWaalsContact C-N 3.29Å; T1458-Y1460 PolarHBondContact O-N 3.19Å; Y1460-Q1462 VanDerWaalsContact C-N 3.3Å; Y1460-Q1462 PolarHBondContact O-N 3.39Å; Y1460-Q1463 PolarHBondContact O-N 2.92Å; Y1460-F1464 HydrophobicContact CE1-CB 4.37Å; Y1460-F1464 HydrophobicContact CE2-CB 4.02Å; Y1460-F1464 VanDerWaalsContact O-CB 3.25Å; Y1460-F1464 WeakPolarHBondContact O-CB 3.08Å; Y1460-F1464 PolarHBondContact O-N 2.82Å
1461C81.2Confident75.6Confident14 Ų1444.3 Ų44.310%0.09524%0.236CC..Hα-helixtrans-59.2-40.1177.7-77.70000112.3W1437 S1457 T1458 V1465W1437-C1461 HydrophobicContact CB-CB 4.32Å; S1457-C1461 PolarHBondContact O-N 3.45Å; S1457-C1461 PolarHBondContact O-SG 3.41Å; S1457-C1461 VanDerWaalsContact O-SG 3.37Å; T1458-C1461 WeakPolarHBondContact O-CB 3.1Å; T1458-C1461 PolarHBondContact O-N 2.93Å; T1458-C1461 VanDerWaalsContact O-N 3.11Å; C1461-V1465 WeakPolarHBondContact O-CG2 3.44Å; C1461-V1465 PolarHBondContact O-N 2.95Å; C1461-V1465 VanDerWaalsContact O-N 3.15Å
1462Q84Confident78Confident22 Ų2241.5 Ų41.510%0.10322%0.221CC..Hα-helixtrans-62.9-53175.8-66.6163.7-22.600111.5L1438 V1441 T1458 E1459 Y1460 F1464 V1465 L1466 I1684L1438-Q1462 HydrophobicContact CD2-CB 4.3Å; L1438-Q1462 HydrophobicContact CD2-CG 3.54Å; V1441-Q1462 VanDerWaalsContact CG2-NE2 3.28Å; T1458-Q1462 WeakPolarHBondContact O-CG 2.86Å; T1458-Q1462 PolarHBondContact O-N 2.75Å; E1459-Q1462 PolarHBondContact O-N 3.05Å; Y1460-Q1462 VanDerWaalsContact C-N 3.3Å; Y1460-Q1462 PolarHBondContact O-N 3.39Å; Q1462-F1464 VanDerWaalsContact C-N 3.31Å; Q1462-F1464 PolarHBondContact O-N 3.31Å; Q1462-V1465 PolarHBondContact O-N 3.19Å; Q1462-L1466 PolarHBondContact O-N 3.3Å; Q1462-I1684 HydrophobicContact CB-CG2 4.08Å; Q1462-I1684 HydrophobicContact CG-CG2 3.85Å
1463Q85.8Confident80.1Confident105 Ų10537.8 Ų37.849%0.49120%0.195SC..Hα-helixtrans-63.2-36.7-180-67.2175.410.400112.3L1318 E1459 Y1460 S1467L1318-Q1463 HydrophobicContact CD1-CB 4.43Å; L1318-Q1463 HydrophobicContact CD2-CB 3.7Å; E1459-Q1463 WeakPolarHBondContact O-CG 3.44Å; E1459-Q1463 PolarHBondContact O-N 2.86Å; Y1460-Q1463 PolarHBondContact O-N 2.92Å; Q1463-S1467 WeakPolarHBondContact O-CB 3.1Å; Q1463-S1467 PolarHBondContact O-N 2.87Å
1464F88.3Confident82.3Confident4 Ų433.4 Ų33.42%0.01817%0.172CC..Hα-helixtrans-61.3-46175170.2-100.2000112.3F1273 R1428 L1429 Y1460 Q1462 S1468F1273-F1464 HydrophobicContact CE1-CD2 4.44Å; F1273-F1464 AromaticContact CE1-CE2 3.58Å; F1273-F1464 HydrophobicContact CE1-CE2 3.58Å; F1273-F1464 HydrophobicContact CE1-CZ 4.3Å; F1273-F1464 AromaticContact CZ-CE2 3.91Å; F1273-F1464 HydrophobicContact CZ-CE2 3.91Å; R1428-F1464 HydrophobicContact CB-CE1 3.6Å; R1428-F1464 HydrophobicContact CB-CZ 3.55Å; R1428-F1464 HydrophobicContact CG-CE1 4.34Å; R1428-F1464 HydrophobicContact CG-CZ 3.95Å; L1429-F1464 HydrophobicContact CD2-CE1 4.36Å; Y1460-F1464 HydrophobicContact CE1-CB 4.37Å; Y1460-F1464 HydrophobicContact CE2-CB 4.02Å; Y1460-F1464 VanDerWaalsContact O-CB 3.25Å; Y1460-F1464 WeakPolarHBondContact O-CB 3.08Å; Y1460-F1464 PolarHBondContact O-N 2.82Å; Q1462-F1464 VanDerWaalsContact C-N 3.31Å; Q1462-F1464 PolarHBondContact O-N 3.31Å; F1464-S1468 VanDerWaalsContact CE2-OG 3.26Å; F1464-S1468 WeakPolarHBondContact CE2-OG 3.44Å; F1464-S1468 VanDerWaalsContact CZ-OG 3.28Å; F1464-S1468 WeakPolarHBondContact CZ-OG 3.39Å; F1464-S1468 VanDerWaalsContact O-CB 3.26Å; F1464-S1468 WeakPolarHBondContact O-CB 3.36Å; F1464-S1468 PolarHBondContact O-N 2.9Å; F1464-S1468 PolarHBondContact O-OG 3.04Å
1465V87.4Confident83.8Confident1 Ų131.1 Ų31.11%0.00616%0.156CC..Hα-helixtrans-65.6-48.6178.9169.50000110.5L1429 L1438 C1461 Q1462 S1467 S1468 I1469 L1601 I1688L1429-V1465 HydrophobicContact CD2-CB 4.46Å; L1429-V1465 HydrophobicContact CD2-CG1 4.31Å; L1429-V1465 HydrophobicContact CD2-CG2 4.09Å; L1438-V1465 HydrophobicContact CD1-CG2 4.36Å; C1461-V1465 WeakPolarHBondContact O-CG2 3.44Å; C1461-V1465 PolarHBondContact O-N 2.95Å; C1461-V1465 VanDerWaalsContact O-N 3.15Å; Q1462-V1465 PolarHBondContact O-N 3.19Å; V1465-S1467 PolarHBondContact O-N 3.22Å; V1465-S1468 PolarHBondContact O-N 2.88Å; V1465-I1469 HydrophobicContact CG1-CD1 3.68Å; V1465-I1469 HydrophobicContact CG1-CG1 4.49Å; V1465-I1469 VanDerWaalsContact O-CG1 3.3Å; V1465-I1469 WeakPolarHBondContact O-CG1 3.12Å; V1465-I1469 PolarHBondContact O-N 2.99Å; V1465-L1601 HydrophobicContact CG1-CD2 4.46Å; V1465-I1688 HydrophobicContact CG1-CD1 4.37Å; V1465-I1688 HydrophobicContact CG1-CG1 4.38Å; V1465-I1688 HydrophobicContact CG1-CG2 4.21Å
1466L90.9Very high84.9Confident35 Ų3525.2 Ų25.218%0.18313%0.131CC..Hα-helixtrans-60.7-44.9178.1-71.2170.1000112.5Q1462 S1468 I1469 A1470 E1687 I1688 N1691Q1462-L1466 PolarHBondContact O-N 3.3Å; L1466-S1468 PolarHBondContact O-N 3.23Å; L1466-I1469 PolarHBondContact O-N 2.98Å; L1466-A1470 WeakPolarHBondContact O-CB 3.48Å; L1466-A1470 PolarHBondContact O-N 3.01Å; L1466-E1687 HydrophobicContact CD2-CB 4.2Å; L1466-I1688 HydrophobicContact CD2-CB 4.5Å; L1466-I1688 HydrophobicContact CD2-CG1 3.73Å; L1466-I1688 HydrophobicContact CG-CG1 4.01Å; L1466-N1691 HydrophobicContact CD2-CB 4.49Å
1467S90.5Very high85.9Confident7 Ų724.2 Ų24.25%0.04912%0.123CC..Hα-helixtrans-65.1-37176.8-1770000112.5L1321 N1322 Q1463 V1465 A1470 F1471L1321-S1467 WeakPolarHBondContact CD2-OG 3.3Å; N1322-S1467 WeakPolarHBondContact OD1-CB 3.2Å; N1322-S1467 PolarHBondContact OD1-OG 3.14Å; Q1463-S1467 WeakPolarHBondContact O-CB 3.1Å; Q1463-S1467 PolarHBondContact O-N 2.87Å; V1465-S1467 PolarHBondContact O-N 3.22Å; S1467-A1470 PolarHBondContact O-N 3.38Å; S1467-F1471 WeakPolarHBondContact O-CB 3.45Å; S1467-F1471 PolarHBondContact O-N 3.25Å
1468S90.8Very high86.9Confident0 Ų022.9 Ų22.90%011%0.113CC..Hα-helixtrans-66.3-43.5175.3-62.50000112.3F1464 V1465 L1466 F1471 L1472F1464-S1468 VanDerWaalsContact CE2-OG 3.26Å; F1464-S1468 WeakPolarHBondContact CE2-OG 3.44Å; F1464-S1468 VanDerWaalsContact CZ-OG 3.28Å; F1464-S1468 WeakPolarHBondContact CZ-OG 3.39Å; F1464-S1468 VanDerWaalsContact O-CB 3.26Å; F1464-S1468 WeakPolarHBondContact O-CB 3.36Å; F1464-S1468 PolarHBondContact O-N 2.9Å; F1464-S1468 PolarHBondContact O-OG 3.04Å; V1465-S1468 PolarHBondContact O-N 2.88Å; L1466-S1468 PolarHBondContact O-N 3.23Å; S1468-F1471 PolarHBondContact O-N 2.97Å; S1468-L1472 VanDerWaalsContact O-CG 3.3Å; S1468-L1472 WeakPolarHBondContact O-CG 3.45Å; S1468-L1472 PolarHBondContact O-N 3.31Å
1469I90.2Very high87.5Confident0 Ų022.7 Ų22.70%011%0.112CC..Hα-helixtrans-64.3-44.4174.9-65.4162000110.3V1465 L1466 F1471 L1472 T1473 L1598 I1688 N1691 T1692 L1695V1465-I1469 HydrophobicContact CG1-CD1 3.68Å; V1465-I1469 HydrophobicContact CG1-CG1 4.49Å; V1465-I1469 VanDerWaalsContact O-CG1 3.3Å; V1465-I1469 WeakPolarHBondContact O-CG1 3.12Å; V1465-I1469 PolarHBondContact O-N 2.99Å; L1466-I1469 PolarHBondContact O-N 2.98Å; I1469-F1471 PolarHBondContact O-N 3.49Å; I1469-L1472 PolarHBondContact O-N 2.87Å; I1469-T1473 WeakPolarHBondContact O-CB 3.22Å; I1469-T1473 PolarHBondContact O-N 3.42Å; I1469-T1473 PolarHBondContact O-OG1 3.45Å; I1469-L1598 HydrophobicContact CD1-CD2 4.28Å; I1469-L1598 HydrophobicContact CG1-CD1 4.25Å; I1469-L1598 HydrophobicContact CG1-CD2 4.11Å; I1469-I1688 HydrophobicContact CD1-CG2 4.43Å; I1469-N1691 VanDerWaalsContact CG2-C 3.5Å; I1469-N1691 HydrophobicContact CG2-CB 3.81Å; I1469-N1691 VanDerWaalsContact CG2-O 3.23Å; I1469-N1691 WeakPolarHBondContact CG2-O 3.46Å; I1469-T1692 WeakPolarHBondContact CD1-OG1 3.14Å; I1469-L1695 HydrophobicContact CG2-CB 4.08Å; I1469-L1695 HydrophobicContact CG2-CD2 4.18Å
1470A91.5Very high87.5Confident33 Ų3318.7 Ų18.727%0.27310%0.096SC..Hα-helixtrans-62.1-41176.800000112.1T1325 L1466 S1467 T1473 S1474T1325-A1470 HydrophobicContact CG2-CB 4.14Å; L1466-A1470 WeakPolarHBondContact O-CB 3.48Å; L1466-A1470 PolarHBondContact O-N 3.01Å; S1467-A1470 PolarHBondContact O-N 3.38Å; A1470-T1473 PolarHBondContact O-N 3.5Å; A1470-S1474 WeakPolarHBondContact O-CB 3.48Å; A1470-S1474 PolarHBondContact O-N 3.43Å; A1470-S1474 PolarHBondContact O-OG 2.67Å
1471F94.5Very high87.2Confident0 Ų018.2 Ų18.20%010%0.096CC..Hα-helixtrans-58.2-53.5172.8170.5-103.8000111.6L1321 L1324 T1325 L1328 I1416 L1421 I1425 S1467 S1468 I1469 T1473 S1474 L1475L1321-F1471 HydrophobicContact CD1-CB 3.88Å; L1321-F1471 HydrophobicContact CD1-CD1 4.25Å; L1321-F1471 HydrophobicContact CD1-CD2 3.88Å; L1321-F1471 HydrophobicContact CD1-CG 3.71Å; L1321-F1471 HydrophobicContact CG-CB 4.29Å; L1324-F1471 HydrophobicContact CD2-CD2 4.31Å; L1324-F1471 HydrophobicContact CD2-CE2 3.54Å; L1324-F1471 HydrophobicContact CD2-CZ 4.25Å; L1324-F1471 HydrophobicContact CG-CD2 4.36Å; L1324-F1471 HydrophobicContact CG-CE2 3.87Å; T1325-F1471 VanDerWaalsContact OG1-CA 3.31Å; T1325-F1471 WeakPolarHBondContact OG1-CA 3.27Å; T1325-F1471 VanDerWaalsContact OG1-CB 3.32Å; T1325-F1471 WeakPolarHBondContact OG1-CB 3.47Å; L1328-F1471 HydrophobicContact CD1-CD2 3.99Å; L1328-F1471 HydrophobicContact CD1-CE2 3.6Å; L1328-F1471 HydrophobicContact CD1-CZ 4.47Å; I1416-F1471 HydrophobicContact CG2-CZ 3.99Å; L1421-F1471 HydrophobicContact CD2-CD1 4.35Å; L1421-F1471 HydrophobicContact CD2-CE1 3.4Å; L1421-F1471 VanDerWaalsContact CD2-CE1 3.4Å; L1421-F1471 HydrophobicContact CD2-CE2 4.45Å; L1421-F1471 HydrophobicContact CD2-CZ 3.47Å; L1421-F1471 VanDerWaalsContact CD2-CZ 3.47Å; I1425-F1471 HydrophobicContact CD1-CD1 3.68Å; I1425-F1471 HydrophobicContact CD1-CE1 3.92Å; S1467-F1471 WeakPolarHBondContact O-CB 3.45Å; S1467-F1471 PolarHBondContact O-N 3.25Å; S1468-F1471 PolarHBondContact O-N 2.97Å; I1469-F1471 PolarHBondContact O-N 3.49Å; F1471-T1473 VanDerWaalsContact C-N 3.31Å; F1471-T1473 PolarHBondContact O-N 2.97Å; F1471-S1474 PolarHBondContact O-N 3.5Å; F1471-L1475 HydrophobicContact CE1-CD2 4.32Å; F1471-L1475 HydrophobicContact CZ-CD1 4.43Å; F1471-L1475 HydrophobicContact CZ-CD2 4.36Å; F1471-L1475 WeakPolarHBondContact O-CB 3.36Å; F1471-L1475 PolarHBondContact O-N 3.1Å
1472L90.6Very high86.7Confident4 Ų418 Ų182%0.0219%0.093CC..Hα-helixtrans-62.6-37.3-179.4-68.4169.7000112V1422 I1425 L1429 S1468 I1469 S1474 L1475 T1476 V1595 L1695V1422-L1472 HydrophobicContact CG1-CD2 4.31Å; I1425-L1472 HydrophobicContact CG2-CD1 4.33Å; L1429-L1472 HydrophobicContact CD1-CD1 4.01Å; S1468-L1472 VanDerWaalsContact O-CG 3.3Å; S1468-L1472 WeakPolarHBondContact O-CG 3.45Å; S1468-L1472 PolarHBondContact O-N 3.31Å; I1469-L1472 PolarHBondContact O-N 2.87Å; L1472-S1474 VanDerWaalsContact C-N 3.35Å; L1472-L1475 PolarHBondContact O-N 3.2Å; L1472-T1476 WeakPolarHBondContact O-CB 3.47Å; L1472-T1476 PolarHBondContact O-N 3.26Å; L1472-T1476 PolarHBondContact O-OG1 2.88Å; L1472-V1595 HydrophobicContact CD1-CG1 4.25Å; L1472-L1695 HydrophobicContact CB-CD1 3.79Å; L1472-L1695 HydrophobicContact CB-CD2 3.91Å; L1472-L1695 HydrophobicContact CD1-CD2 4.18Å
1473T89.6Confident85.8Confident11 Ų1118 Ų187%0.06710%0.096CC..Hα-helixtrans-65.6-41.9177-53.60000110.5I1469 A1470 F1471 T1476 R1477I1469-T1473 WeakPolarHBondContact O-CB 3.22Å; I1469-T1473 PolarHBondContact O-N 3.42Å; I1469-T1473 PolarHBondContact O-OG1 3.45Å; A1470-T1473 PolarHBondContact O-N 3.5Å; F1471-T1473 VanDerWaalsContact C-N 3.31Å; F1471-T1473 PolarHBondContact O-N 2.97Å; T1473-T1476 PolarHBondContact O-N 2.83Å; T1473-R1477 WeakPolarHBondContact O-CB 3.41Å; T1473-R1477 WeakPolarHBondContact O-CG 3.34Å; T1473-R1477 PolarHBondContact O-N 3.17Å
1474S89.5Confident84.3Confident1 Ų117.4 Ų17.41%0.0079%0.094CC..Hα-helixtrans-69-35.8178.2-50.80000112.1T1325 N1329 A1470 F1471 L1472 L1478T1325-S1474 WeakPolarHBondContact CG2-OG 3.49Å; N1329-S1474 VanDerWaalsContact CG-OG 3.31Å; N1329-S1474 PolarHBondContact ND2-OG 2.87Å; N1329-S1474 WeakPolarHBondContact OD1-CB 3.04Å; N1329-S1474 PolarHBondContact OD1-OG 3.3Å; N1329-S1474 VanDerWaalsContact OD1-OG 3.12Å; A1470-S1474 WeakPolarHBondContact O-CB 3.48Å; A1470-S1474 PolarHBondContact O-N 3.43Å; A1470-S1474 PolarHBondContact O-OG 2.67Å; F1471-S1474 PolarHBondContact O-N 3.5Å; L1472-S1474 VanDerWaalsContact C-N 3.35Å; S1474-L1478 WeakPolarHBondContact O-CB 3.41Å; S1474-L1478 PolarHBondContact O-N 3.38Å
1475L90.9Very high82.6Confident2 Ų221.1 Ų21.11%0.0111%0.111CC..Hα-helixtrans-65.2-46.4173.4-169.373.5000111.6L1328 L1413 I1416 V1422 F1471 L1472 L1478 L1479L1328-L1475 HydrophobicContact CD1-CB 4.28Å; L1328-L1475 HydrophobicContact CD1-CD1 4Å; L1413-L1475 HydrophobicContact CD2-CD1 3.4Å; L1413-L1475 VanDerWaalsContact CD2-CD1 3.4Å; L1413-L1475 HydrophobicContact CD2-CG 4.26Å; I1416-L1475 HydrophobicContact CB-CD1 4.37Å; I1416-L1475 HydrophobicContact CD1-CD1 3.96Å; I1416-L1475 HydrophobicContact CG2-CD1 3.83Å; I1416-L1475 HydrophobicContact CG2-CD2 4.27Å; V1422-L1475 HydrophobicContact CG2-CD2 4.11Å; F1471-L1475 HydrophobicContact CE1-CD2 4.32Å; F1471-L1475 HydrophobicContact CZ-CD1 4.43Å; F1471-L1475 HydrophobicContact CZ-CD2 4.36Å; F1471-L1475 WeakPolarHBondContact O-CB 3.36Å; F1471-L1475 PolarHBondContact O-N 3.1Å; L1472-L1475 PolarHBondContact O-N 3.2Å; L1475-L1478 PolarHBondContact O-N 2.99Å; L1475-L1479 PolarHBondContact O-N 2.98Å
1476T85.9Confident80.5Confident5 Ų523.9 Ų23.93%0.03112%0.123CC..Hα-helixtrans-67.6-47.4-177.1-57.30000111.9L1472 T1473 L1478 L1479 G1480 S1698 L1699 V1702L1472-T1476 WeakPolarHBondContact O-CB 3.47Å; L1472-T1476 PolarHBondContact O-N 3.26Å; L1472-T1476 PolarHBondContact O-OG1 2.88Å; T1473-T1476 PolarHBondContact O-N 2.83Å; T1476-L1478 PolarHBondContact O-N 2.85Å; T1476-L1479 WeakPolarHBondContact O-CA 3.33Å; T1476-L1479 WeakPolarHBondContact O-CB 3.45Å; T1476-L1479 PolarHBondContact O-N 3.42Å; T1476-G1480 PolarHBondContact O-N 3.44Å; T1476-S1698 VanDerWaalsContact CG2-O 3.28Å; T1476-S1698 WeakPolarHBondContact CG2-O 3.48Å; T1476-L1699 HydrophobicContact CG2-CB 4.37Å; T1476-L1699 HydrophobicContact CG2-CD1 3.87Å; T1476-L1699 HydrophobicContact CG2-CG 3.91Å; T1476-V1702 HydrophobicContact CG2-CG2 3.63Å; T1476-V1702 WeakPolarHBondContact O-CG2 3.45Å
1477R86.6Confident78Confident87 Ų8727.5 Ų27.533%0.32814%0.14SC..Hα-helixtrans-58.1-35.4176.4-72.1-172.9-60.5-156.82112.7N1329 Y1332 T1473 L1479 G1480 I1481N1329-R1477 PolarHBondContact OD1-NH2 3.45Å; Y1332-R1477 HydrophobicContact CD2-CB 3.72Å; Y1332-R1477 HydrophobicContact CE2-CB 3.68Å; T1473-R1477 WeakPolarHBondContact O-CB 3.41Å; T1473-R1477 WeakPolarHBondContact O-CG 3.34Å; T1473-R1477 PolarHBondContact O-N 3.17Å; R1477-L1479 VanDerWaalsContact C-N 3.3Å; R1477-L1479 PolarHBondContact O-N 3.03Å; R1477-G1480 PolarHBondContact O-N 3.32Å; R1477-I1481 PolarHBondContact O-N 3.48Å
1478L86.3Confident75.4Confident0 Ų032.2 Ų32.20%017%0.165CC..Hα-helixtrans-72.9-22176.9-160.863000113.2L1328 F1331 L1409 L1413 S1474 L1475 T1476L1328-L1478 HydrophobicContact CB-CD2 4.42Å; L1328-L1478 HydrophobicContact CD2-CD2 3.68Å; F1331-L1478 HydrophobicContact CB-CD1 3.9Å; F1331-L1478 HydrophobicContact CB-CD2 4.01Å; F1331-L1478 HydrophobicContact CD2-CD2 4.18Å; L1409-L1478 HydrophobicContact CD1-CD1 4.31Å; L1409-L1478 HydrophobicContact CD1-CD2 3.95Å; L1409-L1478 HydrophobicContact CD1-CG 4.26Å; L1409-L1478 HydrophobicContact CD2-CD1 3.93Å; L1409-L1478 HydrophobicContact CD2-CG 4.13Å; L1409-L1478 HydrophobicContact CG-CD1 4.49Å; L1409-L1478 HydrophobicContact CG-CD2 4.43Å; L1409-L1478 HydrophobicContact CG-CG 4.3Å; L1413-L1478 HydrophobicContact CD1-CB 4.49Å; L1413-L1478 HydrophobicContact CD1-CD2 4.32Å; L1413-L1478 HydrophobicContact CD1-CG 4.13Å; L1413-L1478 HydrophobicContact CD2-CD2 4.22Å; S1474-L1478 WeakPolarHBondContact O-CB 3.41Å; S1474-L1478 PolarHBondContact O-N 3.38Å; L1475-L1478 PolarHBondContact O-N 2.99Å; T1476-L1478 PolarHBondContact O-N 2.85Å
1479L83.8Confident72.8Confident14 Ų1437.3 Ų37.37%0.07319%0.193CC..Hα-helixtrans-79.5-36.9171.2-73164.2000112.3L1413 L1475 T1476 R1477 I1481 L1482 S1483 L1586 I1590L1413-L1479 HydrophobicContact CB-CD2 4.08Å; L1413-L1479 HydrophobicContact CD1-CD2 3.8Å; L1413-L1479 HydrophobicContact CD1-CG 4.18Å; L1413-L1479 HydrophobicContact CD2-CD2 4.48Å; L1413-L1479 HydrophobicContact CD2-CG 4.35Å; L1413-L1479 HydrophobicContact CG-CD2 4.34Å; L1475-L1479 PolarHBondContact O-N 2.98Å; T1476-L1479 WeakPolarHBondContact O-CA 3.33Å; T1476-L1479 WeakPolarHBondContact O-CB 3.45Å; T1476-L1479 PolarHBondContact O-N 3.42Å; R1477-L1479 VanDerWaalsContact C-N 3.3Å; R1477-L1479 PolarHBondContact O-N 3.03Å; L1479-I1481 PolarHBondContact O-N 3.38Å; L1479-L1482 PolarHBondContact O-N 2.82Å; L1479-S1483 PolarHBondContact O-N 3Å; L1479-L1586 HydrophobicContact CD1-CD2 4.13Å; L1479-L1586 HydrophobicContact CD2-CD2 3.46Å; L1479-L1586 VanDerWaalsContact CD2-CD2 3.46Å; L1479-L1586 HydrophobicContact CG-CD2 4.44Å; L1479-I1590 HydrophobicContact CD1-CD1 3.55Å
1480G77.7Confident70.2Confident12 Ų1242.6 Ų42.612%0.12422%0.221CC..Hα-helixtrans-54.7-48.2174.700000112.8T1476 R1477 L1482 S1483 M1484T1476-G1480 PolarHBondContact O-N 3.44Å; R1477-G1480 PolarHBondContact O-N 3.32Å; G1480-L1482 PolarHBondContact O-N 2.96Å; G1480-S1483 PolarHBondContact O-N 3.41Å; G1480-S1483 VanDerWaalsContact O-N 3.12Å; G1480-M1484 WeakPolarHBondContact O-CG 3.47Å; G1480-M1484 PolarHBondContact O-N 3.27Å
1481I74.9Confident67.4Low26 Ų2645.4 Ų45.413%0.13324%0.239CC..Hα-helixtrans-54.3-38.7175-69.4-177.4000112.2Y1332 N1335 R1477 L1479 K1485Y1332-I1481 HydrophobicContact CD2-CD1 3.43Å; Y1332-I1481 VanDerWaalsContact CD2-CD1 3.43Å; Y1332-I1481 HydrophobicContact CD2-CG1 4.17Å; Y1332-I1481 HydrophobicContact CE2-CD1 3.52Å; Y1332-I1481 HydrophobicContact CE2-CG1 3.95Å; Y1332-I1481 HydrophobicContact CG-CD1 4.22Å; N1335-I1481 HydrophobicContact CB-CD1 4.06Å; N1335-I1481 HydrophobicContact CB-CG2 4.03Å; R1477-I1481 PolarHBondContact O-N 3.48Å; L1479-I1481 PolarHBondContact O-N 3.38Å; I1481-K1485 WeakPolarHBondContact O-CB 3.28Å; I1481-K1485 PolarHBondContact O-N 3.41Å
1482L71.8Confident64.3Low8 Ų852.8 Ų52.84%0.04228%0.277CS..Hα-helixtrans-79.1-28.9-179.2-70.9173.9000113.3S1406 L1409 Q1410 L1413 L1479 G1480S1406-L1482 VanDerWaalsContact OG-CD2 3.24Å; S1406-L1482 WeakPolarHBondContact OG-CD2 3.45Å; L1409-L1482 HydrophobicContact CB-CD1 4.26Å; L1409-L1482 HydrophobicContact CB-CD2 4.47Å; L1409-L1482 HydrophobicContact CD2-CD1 4.12Å; L1409-L1482 HydrophobicContact CD2-CD2 4.12Å; L1409-L1482 HydrophobicContact CD2-CG 4.15Å; L1409-L1482 HydrophobicContact CG-CD1 4.13Å; Q1410-L1482 HydrophobicContact CG-CD1 3.89Å; Q1410-L1482 HydrophobicContact CG-CD2 4.06Å; L1413-L1482 HydrophobicContact CD1-CD1 3.43Å; L1413-L1482 VanDerWaalsContact CD1-CD1 3.43Å; L1479-L1482 PolarHBondContact O-N 2.82Å; G1480-L1482 PolarHBondContact O-N 2.96Å
1483S64.7Low61.2Low22 Ų2259.3 Ų59.315%0.15431%0.312CS..Hα-helixtrans-70.8-53.6174.3-155.70000110.6L1479 G1480 K1485 Q1486 M1487L1479-S1483 PolarHBondContact O-N 3Å; G1480-S1483 PolarHBondContact O-N 3.41Å; G1480-S1483 VanDerWaalsContact O-N 3.12Å; S1483-K1485 VanDerWaalsContact C-N 3.25Å; S1483-K1485 PolarHBondContact O-N 3.29Å; S1483-Q1486 PolarHBondContact O-N 3.27Å; S1483-M1487 PolarHBondContact O-N 3.39Å
1484M53.2Low58.4Low94 Ų9464.8 Ų64.846%0.46335%0.345SS..Hα-helixtrans-57.1-36.9178.9-68.5-6899.500112.9G1480 Q1486 M1487 N1488G1480-M1484 WeakPolarHBondContact O-CG 3.47Å; G1480-M1484 PolarHBondContact O-N 3.27Å; M1484-Q1486 VanDerWaalsContact C-N 3.26Å; M1484-Q1486 PolarHBondContact O-N 2.83Å; M1484-M1487 HydrophobicContact CE-SD 3.65Å; M1484-N1488 PolarHBondContact O-N 3.09Å
1485K52.7Low55.1Low82 Ų8273.3 Ų73.336%0.35739%0.385SS..Hα-helixtrans-65.1-29178.2-172.6158-171158.40113.4I1481 S1483 D1489I1481-K1485 WeakPolarHBondContact O-CB 3.28Å; I1481-K1485 PolarHBondContact O-N 3.41Å; S1483-K1485 VanDerWaalsContact C-N 3.25Å; S1483-K1485 PolarHBondContact O-N 3.29Å; K1485-D1489 PolarHBondContact O-N 2.87Å
1486Q43Very low51.9Low58 Ų5882.3 Ų82.327%0.27143%0.426SS..Hα-helixtrans-79.1-39.3-178.7-163.5168.7-33.600111.6S1483 M1484 N1488 D1489 D1490 K1581S1483-Q1486 PolarHBondContact O-N 3.27Å; M1484-Q1486 VanDerWaalsContact C-N 3.26Å; M1484-Q1486 PolarHBondContact O-N 2.83Å; Q1486-N1488 VanDerWaalsContact C-N 3.33Å; Q1486-N1488 PolarHBondContact O-N 2.66Å; Q1486-D1489 PolarHBondContact O-N 2.85Å; Q1486-D1490 PolarHBondContact O-N 3.38Å; Q1486-D1490 VanDerWaalsContact O-N 3.14Å; Q1486-K1581 PolarHBondContact NE2-O 3.08Å
1487M38.5Very low48.9Very low111 Ų11193.4 Ų93.455%0.54747%0.468SS..Hα-helixtrans-58.2-43.4175.3-64.7179.168.800112.1S1483 M1484 D1489 D1490 S1491S1483-M1487 PolarHBondContact O-N 3.39Å; M1484-M1487 HydrophobicContact CE-SD 3.65Å; M1487-D1489 PolarHBondContact O-N 3.11Å; M1487-D1490 PolarHBondContact O-N 2.83Å; M1487-S1491 PolarHBondContact O-N 3.45Å; M1487-S1491 PolarHBondContact O-OG 3.17Å
1488N37.6Very low45.8Very low106 Ų10698 Ų9857%0.56749%0.493SS*.Hα-helixtrans-69.4-28.9179.5-68.70000113.8M1484 Q1486M1484-N1488 PolarHBondContact O-N 3.09Å; Q1486-N1488 VanDerWaalsContact C-N 3.33Å; Q1486-N1488 PolarHBondContact O-N 2.66Å
1489D36.1Very low42.8Very low108 Ų108105.9 Ų105.958%0.57853%0.53SS*.Hα-helixtrans-74.1-31.7175.2-77.6-18.9000111.1K1485 Q1486 M1487K1485-D1489 PolarHBondContact O-N 2.87Å; Q1486-D1489 PolarHBondContact O-N 2.85Å; M1487-D1489 PolarHBondContact O-N 3.11Å
1490D34.9Very low39.8Very low111 Ų111113 Ų11359%0.59456%0.563SS**Hα-helixtrans-77-36.5174.5-71.9-39.4000112.2Q1486 M1487 L1492 N1493Q1486-D1490 PolarHBondContact O-N 3.38Å; Q1486-D1490 VanDerWaalsContact O-N 3.14Å; M1487-D1490 PolarHBondContact O-N 2.83Å; D1490-L1492 VanDerWaalsContact C-N 3.29Å; D1490-L1492 PolarHBondContact O-N 2.92Å; D1490-N1493 PolarHBondContact O-N 2.9Å
1491S32Very low37.1Very low92 Ų92118.7 Ų118.764%0.64360%0.595SS**Hα-helixtrans-67.9-20177.7-64.80000115M1487 N1493M1487-S1491 PolarHBondContact O-N 3.45Å; M1487-S1491 PolarHBondContact O-OG 3.17Å; S1491-N1493 VanDerWaalsContact C-N 3.29Å; S1491-N1493 PolarHBondContact O-N 3.42Å
1492L30.1Very low34.6Very low155 Ų155122.6 Ų122.681%0.81262%0.624SS**THydrogen-bonded Turntrans-89.115.2178.3-75.3175.1000113.9D1490D1490-L1492 VanDerWaalsContact C-N 3.29Å; D1490-L1492 PolarHBondContact O-N 2.92Å
1493N25.8Very low32.2Very low141 Ų141130 Ų13075%0.75466%0.664SS**THydrogen-bonded Turntrans-130.120.1-173.8-153.932.7000114D1490 S1491D1490-N1493 PolarHBondContact O-N 2.9Å; S1491-N1493 VanDerWaalsContact C-N 3.29Å; S1491-N1493 PolarHBondContact O-N 3.42Å
1494V29.2Very low30.1Very low126 Ų126134.2 Ų134.276%0.76469%0.694SS**  trans-141.478.8169.8-168.80000110.8
1495E20.3Very low28.6Very low180 Ų180137.1 Ų137.184%0.84171%0.709SS**  trans-108.4152.9155.9-74.5-173.8137.500109
1496H25.4Very low27.2Very low190 Ų190136.6 Ų136.688%0.8873%0.728SS**  trans6181.8-175-59.2-79.4000117.3
1497R22.4Very low26.2Very low238 Ų238139.8 Ų139.890%0.89875%0.751SS**  -155.2122106.4-147.5168.5-175.2157.11.5111
1498H20.9Very low25.3Very low185 Ų185141.3 Ų141.386%0.85677%0.767SS**  trans-78.9130163.8-76.4-62.8000109.2
1499Q23.6Very low24.7Very low165 Ų165141.2 Ų141.277%0.77178%0.775SS**  -168.3128.6129-106.4158.2-6.200111.7
1500Q21.3Very low24Very low164 Ų164141.5 Ų141.577%0.76679%0.785SS**  trans33.8117.8143.4-77.2160.5-22.900120.6
1501T21.1Very low23.2Very low130 Ų130142 Ų14280%0.79880%0.796SS**  27.9128.8123.858.50000118.1
1502S21.5Very low22.7Very low108 Ų108142.7 Ų142.776%0.75580%0.801SS**  cis-160.3147.735.551.50000113.4S1504S1502-S1504 PolarHBondContact O-N 3.06Å
1503N21.5Very low22.4Very low163 Ų163140.5 Ų140.587%0.87280%0.798SS**  trans-79.6114173.8-68.9-22.6000111.7
1504S21.1Very low22.1Very low112 Ų112141.7 Ų141.778%0.78380%0.803SS**  trans-109.5100.8157.161.90000109.4S1502 G1506S1502-S1504 PolarHBondContact O-N 3.06Å; S1504-G1506 PolarHBondContact O-N 3.14Å
1505I22Very low21.7Very low154 Ų154141 Ų14179%0.7980%0.804SS**  trans-74.697.1-178.9-63.4174.3000109.4
1506G22.8Very low21.8Very low72 Ų72141.9 Ų141.974%0.74281%0.805SS**  trans-76.1129.1162.300000110.1S1504S1504-G1506 PolarHBondContact O-N 3.14Å
1507T22.1Very low21.6Very low125 Ų125136.9 Ų136.977%0.76779%0.791SS**  trans-78.2146.8-169.240.80000114.5
1508T20.7Very low21.4Very low143 Ų143135.2 Ų135.288%0.87779%0.791SS**  trans-76.9112.7163.350.10000111
1509S23.1Very low21.5Very low104 Ų104131.2 Ų131.273%0.72778%0.775SS**  trans-167.367.7154.562.40000114.8
1510S21.4Very low21.5Very low114 Ų114131.4 Ų131.480%0.79778%0.779SS**  trans-142.934.3156.759.90000112.6S1512S1510-S1512 PolarHBondContact O-N 2.9Å
1511C19Very low21.6Very low121 Ų121128.9 Ų128.982%0.81878%0.775SS**  trans-61.190.4157.4500000108.9S1513C1511-S1513 PolarHBondContact O-N 2.9Å
1512S22.6Very low21.7Very low107 Ų107129.3 Ų129.375%0.74877%0.772SS**  trans-69.4110.9-175.128.40000110.7S1510 I1514S1510-S1512 PolarHBondContact O-N 2.9Å; S1512-I1514 PolarHBondContact O-N 2.85Å
1513S22.1Very low21.9Very low109 Ų109128.9 Ų128.976%0.76277%0.769SS**  trans-55.8124.3174.6-66.40000110.6C1511 S1515C1511-S1513 PolarHBondContact O-N 2.9Å; S1513-S1515 PolarHBondContact O-N 3.41Å
1514I20Very low22Very low166 Ų166129.2 Ų129.285%0.85177%0.769SS**  trans-70.796.9179.1-62170.5000108.8S1512S1512-I1514 PolarHBondContact O-N 2.85Å
1515S21.9Very low22.2Very low111 Ų111127 Ų12778%0.77677%0.765SS**  trans-128.464.6173.8-68.20000111.7S1513S1513-S1515 PolarHBondContact O-N 3.41Å
1516K21.4Very low22.2Very low198 Ų198128.4 Ų128.486%0.86177%0.768SS**  trans-75.7138.6139.6-65.9-177.8179.4-175.40106.3
1517S20.4Very low22.3Very low86 Ų86130.7 Ų130.760%0.60176%0.763SS**  cis-164.4157.5-1.938.60000108.6
1518F20Very low22.2Very low202 Ų202132.5 Ų132.589%0.88676%0.763SS**  trans-140.1147.8159.2-147.7-96.8000109.7
1519I21.3Very low22.3Very low102 Ų102131.1 Ų131.152%0.52375%0.754SS.*  trans-90.5143.4-164.4-63.9174.1000111.5E1082 V1521E1082-I1519 WeakPolarHBondContact OE1-CD1 3.34Å; I1519-V1521 HydrophobicContact CG2-CG2 4.14Å
1520I25Very low22.4Very low168 Ų168131.4 Ų131.486%0.86275%0.751SS**  trans-124.1145.5157.7-63.9-178.3000107.4
1521V24Very low22.4Very low111 Ų111133.3 Ų133.367%0.67375%0.748SS**  trans-105.7144.7-164.6171.40000112.5I1519I1519-V1521 HydrophobicContact CG2-CG2 4.14Å
1522D22.3Very low22.6Very low140 Ų140133.1 Ų133.175%0.74974%0.737SS**  trans-2.9152.3161.5-54.7-37.1000122.8
1523S25.2Very low22.9Very low99 Ų99135.8 Ų135.869%0.69274%0.743SS**  trans72.4113.8146.9-63.70000118.2
1524I23.2Very low23.1Very low169 Ų169138.5 Ų138.587%0.86774%0.744SS**  85128.465.9-71.7161.8000112
1525G24.9Very low23.5Very low67 Ų67138.5 Ų138.569%0.69174%0.74SS**  trans98.8134.5179.800000112.7
1526E24Very low23.7Very low183 Ų183138.8 Ų138.886%0.85573%0.733SS**  cis-156.1143.3-7.7-139.1172.5-130.900109.8
1527D23.3Very low23.9Very low120 Ų120136 Ų13664%0.64273%0.728SS**  trans50149.6139.9-93.328.7000125.4
1528Q21.5Very low24.2Very low162 Ų162135.6 Ų135.676%0.75773%0.725SS**  trans69.3147.1146.5-73.1165.769.200119
1529V22.4Very low24.5Very low115 Ų115133.9 Ų133.970%0.69772%0.717SS**  cis-164.7-168.6-30.393.60000105.6
1530T25.3Very low24.7Very low109 Ų109133.8 Ų133.867%0.66973%0.725SS**  trans67.2146.2172.666.70000118.5
1531E20.9Very low24.6Very low155 Ų155131.3 Ų131.372%0.72472%0.722SS**  cis-157.2163.3-31.1-117.5165.7150.800108.8
1532I23.5Very low24.7Very low117 Ų117131.4 Ų131.460%0.672%0.722SS**  trans13.1122.3139.9-53.3157.1000116.5
1533D29.1Very low24.9Very low162 Ų162131.7 Ų131.787%0.86672%0.723SS**  -154.3146.6113.9-105.7-28.5000112.2
1534E25.2Very low24.9Very low167 Ų167132 Ų13278%0.7872%0.721SS**  trans-88.4160-167.7-54174.4144.300111.6
1535E28.6Very low24.9Very low165 Ų165130.8 Ų130.877%0.77172%0.716SS**  -178.2132.8113.8-97-158.1132.500113.8
1536N26.6Very low25Very low117 Ų117134.6 Ų134.663%0.62673%0.725SS**  trans63.7112.1136-57.4-18.5000122.7
1537D25.3Very low24.9Very low140 Ų140132 Ų13275%0.74972%0.722SS**  63.4136.4121.1-83.5-13.2000121.8
1538S25.9Very low25.1Very low77 Ų77136.3 Ų136.354%0.53874%0.735SS.*  cis-173.8166.43.349.90000115.2
1539K27.4Very low25.1Very low167 Ų167139.4 Ų139.473%0.72674%0.74SS**  trans73.294143.3-74.9153.4-160.9144.20121.9
1540S24.9Very low25.4Very low100 Ų100142.9 Ų142.970%0.69975%0.748SS**  92.9158.2102.473.90000122.1
1541C24.1Very low25.2Very low116 Ų116144.5 Ų144.578%0.78475%0.753SS**  trans68.297172.1-63.40000115.7
1542V25.9Very low25.5Very low113 Ų113143.9 Ų143.969%0.68575%0.753SS**  cis81.7100.925.8-170.30000115.6V1544V1542-V1544 HydrophobicContact CG1-CG2 4.37Å
1543N25.4Very low25.6Very low145 Ų145145 Ų14578%0.77576%0.761SS**  -173.2100.5117.6-97.8-41.9000116.6
1544V24.7Very low25.3Very low105 Ų105142.1 Ų142.164%0.63675%0.753SS**  54.7108.4105.5178.10000120.3V1542V1542-V1544 HydrophobicContact CG1-CG2 4.37Å
1545L23.7Very low25.2Very low145 Ų145138.9 Ų138.976%0.75975%0.749SS**  trans55.5134.4137.7-55.8175000122
1546T26.4Very low25.1Very low146 Ų146139.7 Ų139.790%0.89675%0.752SS**  -169.9142.695.922.10000116.6
1547V22.6Very low25Very low128 Ų128141.4 Ų141.478%0.77676%0.761SS**  trans-71.3144.8-179.51730000114
1548K28.3Very low25.2Very low211 Ų211139.6 Ų139.692%0.91776%0.757SS**  trans-151.8157.8146-122168.4-173.4173.90115
1549R21.8Very low25.1Very low228 Ų228143 Ų14386%0.8678%0.775SS**  trans-97.1144.5-172-61.6164.7165.9162.2-8.4112.5
1550Q26.9Very low24.9Very low187 Ų187140.2 Ų140.287%0.87477%0.772SS**  172.6117.4128-93.6154.6-10.900107.1
1551N21.5Very low24.8Very low143 Ų143142.1 Ų142.177%0.76577%0.773SS**  67.896.855.8-174.161.6000114.4
1552I27.6Very low24.7Very low143 Ų143142.7 Ų142.773%0.73377%0.773SS**  trans-178.7142.3144.2-95.3150.9000108.8
1553N25.8Very low24.5Very low141 Ų141144.2 Ų144.275%0.75478%0.777SS**  trans4097.7165.9-58.4-2.9000118.6
1554S22.8Very low24.4Very low101 Ų101144 Ų14471%0.70678%0.781SS**  83.4103.169.972.70000116.1
1555S22.7Very low24.2Very low99 Ų99144.1 Ų144.169%0.69279%0.787SS**  trans49.798.9149.561.60000119.2
1556H25.9Very low24.1Very low182 Ų182142.9 Ų142.984%0.84379%0.785SS**  -169.311684.4-106.2-75.5000113.7
1557D25.3Very low23.9Very low153 Ų153145.2 Ų145.282%0.81878%0.783SS**  trans-75.7164.4166.2-81.2-47.1000111.6
1558P29.9Very low23.9Very low101 Ų101144.7 Ų144.766%0.65678%0.779SS**  -129.9174.4-72.625.3-2.6000112.2T1560P1558-T1560 PolarHBondContact O-N 2.79Å
1559T22.9Very low23.6Very low149 Ų149141.7 Ų141.791%0.91477%0.773SS**  trans-76.980.7179.346.20000113.4
1560T23.6Very low23.5Very low109 Ų109136.3 Ų136.367%0.66977%0.771SS**  trans-90.7102.3166.7-600000111.6P1558P1558-T1560 PolarHBondContact O-N 2.79Å
1561I22.4Very low23.3Very low139 Ų139132.5 Ų132.571%0.71377%0.765SS**  trans29.4103.7140.6-48.1172.6000116.2
1562T22.7Very low23.4Very low129 Ų129133.5 Ų133.579%0.79177%0.77SS**  trans-127.4113.7156.140.40000111.5T1564T1562-T1564 PolarHBondContact O-N 3.49Å; T1562-T1564 VanDerWaalsContact O-N 3.16Å
1563N20.8Very low23.2Very low145 Ų145136.1 Ų136.178%0.77578%0.776SS**  trans-62.8112.7-179.2-76.6-31.2000111.6S1565N1563-S1565 PolarHBondContact O-N 2.69Å
1564T23.2Very low23.1Very low140 Ų140137 Ų13786%0.85978%0.78SS**  trans-84.154.7178.2-12.80000112.1T1562 V1566T1562-T1564 PolarHBondContact O-N 3.49Å; T1562-T1564 VanDerWaalsContact O-N 3.16Å; T1564-V1566 VanDerWaalsContact C-N 3.32Å; T1564-V1566 PolarHBondContact O-N 3.48Å
1565S21.2Very low23.2Very low107 Ų107140 Ų14075%0.74879%0.789SS**  trans-74.583.8176.353.60000112.1N1563 K1567N1563-S1565 PolarHBondContact O-N 2.69Å; S1565-K1567 PolarHBondContact O-N 2.69Å
1566V22.7Very low23.3Very low119 Ų119140 Ų14072%0.72179%0.788SS**  trans21.889.3148.2-1700000115.4T1564 V1568T1564-V1566 VanDerWaalsContact C-N 3.32Å; T1564-V1566 PolarHBondContact O-N 3.48Å; V1566-V1568 HydrophobicContact CG1-CG2 3.92Å; V1566-V1568 PolarHBondContact O-N 2.7Å
1567K20.5Very low23.4Very low195 Ų195141 Ų14185%0.84879%0.79SS**  trans-69.693.7162.6-167.3171.5-169.6167.80109S1565 N1569S1565-K1567 PolarHBondContact O-N 2.69Å; K1567-N1569 PolarHBondContact O-N 3.42Å
1568V22.6Very low23.5Very low117 Ų117142 Ų14271%0.70979%0.787SS**  trans-61.8107.2179.9178.60000110V1566 S1570V1566-V1568 HydrophobicContact CG1-CG2 3.92Å; V1566-V1568 PolarHBondContact O-N 2.7Å; V1568-S1570 PolarHBondContact O-N 3.31Å
1569N22Very low23.4Very low148 Ų148142.2 Ų142.279%0.79179%0.787SS**  trans-66.4104.1174.6-92.7-14.8000110.7K1567 S1571K1567-N1569 PolarHBondContact O-N 3.42Å; N1569-S1571 PolarHBondContact O-N 3.35Å
1570S20.4Very low24.2Very low115 Ų115137.8 Ų137.880%0.80476%0.755SS**  trans-78.863.6172.2500000111.8V1568V1568-S1570 PolarHBondContact O-N 3.31Å
1571S22.8Very low25Very low107 Ų107141.6 Ų141.675%0.74876%0.762SS**  trans-158.293.6167.7-810000112.4N1569N1569-S1571 PolarHBondContact O-N 3.35Å
1572D24.4Very low26Very low165 Ų165137.8 Ų137.888%0.88274%0.743SS**  -156.2154.8123.6-129.4-30.1000113.3
1573K22.6Very low26.9Very low197 Ų197132.9 Ų132.986%0.85771%0.713SS**  trans-103.4107.8177-66167.7-174.7158.90109.7
1574L24.8Very low28.3Very low160 Ų160128.3 Ų128.384%0.83869%0.691SS**  trans-145.8150.4162.4-106167.5000112.6S1576L1574-S1576 PolarHBondContact O-N 3.31Å
1575N23.7Very low29.9Very low165 Ų165125.8 Ų125.888%0.88267%0.669SS**  trans-68.5116.5-162.2-64-45.3000113.8
1576S26Very low31.6Very low98 Ų98121 Ų12169%0.68564%0.635SS**  trans-109.4140.115562.20000110.5L1574 K1578L1574-S1576 PolarHBondContact O-N 3.31Å; S1576-K1578 PolarHBondContact O-N 3.18Å; S1576-K1578 VanDerWaalsContact O-N 3.1Å
1577K27.6Very low33.4Very low203 Ų203115.8 Ų115.888%0.88360%0.603SS**  trans-64.8109.7172.3-77.8178.4176.1176.10108.2T1579K1577-T1579 VanDerWaalsContact C-N 3.3Å; K1577-T1579 PolarHBondContact O-N 3.4Å
1578K26.8Very low35.4Very low174 Ų174112.5 Ų112.576%0.75759%0.591SS**  trans-74.385.1168.8-70.6-157.4173.4-154.40110.5S1576S1576-K1578 PolarHBondContact O-N 3.18Å; S1576-K1578 VanDerWaalsContact O-N 3.1Å
1579T28.8Very low37.3Very low105 Ų105108.4 Ų108.464%0.64457%0.567SS**  trans-57.1144.3147.5440000108.4K1577K1577-T1579 VanDerWaalsContact C-N 3.3Å; K1577-T1579 PolarHBondContact O-N 3.4Å
1580F38.9Very low39.3Very low57 Ų57101.6 Ų101.625%0.2553%0.53CS..  trans-85.8115.2176.1-171-115.4000107.5R1101 D1582 Q1585R1101-F1580 VanDerWaalsContact NH2-CE2 3.35Å; R1101-F1580 VanDerWaalsContact NH2-CZ 3.31Å; F1580-D1582 VanDerWaalsContact C-N 3.33Å; F1580-D1582 WeakPolarHBondContact CE1-O 3.46Å; F1580-D1582 WeakPolarHBondContact CZ-O 3.37Å; F1580-D1582 PolarHBondContact O-N 3.17Å; F1580-Q1585 HydrophobicContact CZ-CB 4.35Å
1581K41Very low41.2Very low188 Ų18897.2 Ų97.282%0.81750%0.499SS*.  trans-73-22.6-165.6-106.8-155.8170.2-154.10114.6Q1486Q1486-K1581 PolarHBondContact NE2-O 3.08Å
1582D42.4Very low42.9Very low60 Ų6096.6 Ų96.632%0.32150%0.495SS..  trans-155.7113-168.3-161.2-20.8000113.6F1580 T1584F1580-D1582 VanDerWaalsContact C-N 3.33Å; F1580-D1582 WeakPolarHBondContact CE1-O 3.46Å; F1580-D1582 WeakPolarHBondContact CZ-O 3.37Å; F1580-D1582 PolarHBondContact O-N 3.17Å; D1582-T1584 PolarHBondContact O-N 2.95Å; D1582-T1584 VanDerWaalsContact OD1-CB 3.24Å; D1582-T1584 WeakPolarHBondContact OD1-CB 3.46Å; D1582-T1584 VanDerWaalsContact OD1-CG2 3.23Å; D1582-T1584 WeakPolarHBondContact OD1-CG2 3.47Å; D1582-T1584 PolarHBondContact OD1-N 3.29Å; D1582-T1584 PolarHBondContact OD1-OG1 3.2Å; D1582-T1584 PolarHBondContact OD2-OG1 3.35Å
1583P41.5Very low44.4Very low25 Ų2589.3 Ų89.316%0.16246%0.457CS..THydrogen-bonded Turntrans-68.7-19.3173.229.5-33.6000112.9Q1585 L1586 L1587P1583-Q1585 VanDerWaalsContact C-N 3.26Å; P1583-Q1585 PolarHBondContact O-N 3Å; P1583-L1586 WeakPolarHBondContact O-CB 3.05Å; P1583-L1586 PolarHBondContact O-N 3.26Å; P1583-L1587 PolarHBondContact O-N 2.99Å
1584T49.9Very low46.1Very low50 Ų5085.1 Ų85.131%0.30744%0.44SS..Hα-helixtrans-60.5-34.2178.369.30000111.7D1582 L1586 L1587 E1588D1582-T1584 PolarHBondContact O-N 2.95Å; D1582-T1584 VanDerWaalsContact OD1-CB 3.24Å; D1582-T1584 WeakPolarHBondContact OD1-CB 3.46Å; D1582-T1584 VanDerWaalsContact OD1-CG2 3.23Å; D1582-T1584 WeakPolarHBondContact OD1-CG2 3.47Å; D1582-T1584 PolarHBondContact OD1-N 3.29Å; D1582-T1584 PolarHBondContact OD1-OG1 3.2Å; D1582-T1584 PolarHBondContact OD2-OG1 3.35Å; T1584-L1586 PolarHBondContact O-N 3.47Å; T1584-L1586 VanDerWaalsContact O-N 3.11Å; T1584-L1587 CarbonylContact O-C 3.59Å; T1584-L1587 WeakPolarHBondContact O-CA 3.18Å; T1584-L1587 WeakPolarHBondContact O-CB 3.42Å; T1584-L1587 PolarHBondContact O-N 3.19Å; T1584-E1588 WeakPolarHBondContact O-CB 3.45Å; T1584-E1588 PolarHBondContact O-N 3.41Å
1585Q56.9Low47.7Very low86 Ų8677.9 Ų77.940%0.40240%0.402SS..Hα-helixtrans-58.1-27.5173.4-69.5-172.94.500113.5F1580 P1583 T1589F1580-Q1585 HydrophobicContact CZ-CB 4.35Å; P1583-Q1585 VanDerWaalsContact C-N 3.26Å; P1583-Q1585 PolarHBondContact O-N 3Å; Q1585-T1589 PolarHBondContact O-N 2.88Å; Q1585-T1589 VanDerWaalsContact O-N 3.17Å; Q1585-T1589 PolarHBondContact O-OG1 3.18Å
1586L57.2Low49.5Very low6 Ų671.3 Ų71.33%0.03137%0.366CS..Hα-helixtrans-79-37.3175.7-149.283.7000111.3L1413 V1417 L1479 P1583 T1584 T1589 I1590L1413-L1586 HydrophobicContact CB-CD2 4.09Å; V1417-L1586 HydrophobicContact CB-CD1 3.94Å; V1417-L1586 HydrophobicContact CB-CD2 4.39Å; V1417-L1586 HydrophobicContact CB-CG 4.1Å; V1417-L1586 HydrophobicContact CG1-CD1 4.07Å; V1417-L1586 HydrophobicContact CG1-CG 4.18Å; V1417-L1586 HydrophobicContact CG2-CD1 4.33Å; V1417-L1586 HydrophobicContact CG2-CD2 3.88Å; V1417-L1586 HydrophobicContact CG2-CG 3.95Å; L1479-L1586 HydrophobicContact CD1-CD2 4.13Å; L1479-L1586 HydrophobicContact CD2-CD2 3.46Å; L1479-L1586 VanDerWaalsContact CD2-CD2 3.46Å; L1479-L1586 HydrophobicContact CG-CD2 4.44Å; P1583-L1586 WeakPolarHBondContact O-CB 3.05Å; P1583-L1586 PolarHBondContact O-N 3.26Å; T1584-L1586 PolarHBondContact O-N 3.47Å; T1584-L1586 VanDerWaalsContact O-N 3.11Å; L1586-T1589 WeakPolarHBondContact O-CB 3.05Å; L1586-T1589 PolarHBondContact O-N 2.9Å; L1586-I1590 WeakPolarHBondContact O-CG1 3.25Å; L1586-I1590 PolarHBondContact O-N 2.94Å; L1586-I1590 VanDerWaalsContact O-N 3.1Å
1587L61.4Low51.5Low10 Ų1067.2 Ų67.25%0.05234%0.34CS..Hα-helixtrans-65.9-47.8171.1-173.973.5000111P1583 T1584 T1589 I1590 S1591 V1702 H1703 T1706P1583-L1587 PolarHBondContact O-N 2.99Å; T1584-L1587 CarbonylContact O-C 3.59Å; T1584-L1587 WeakPolarHBondContact O-CA 3.18Å; T1584-L1587 WeakPolarHBondContact O-CB 3.42Å; T1584-L1587 PolarHBondContact O-N 3.19Å; L1587-T1589 PolarHBondContact O-N 3.41Å; L1587-I1590 CarbonylContact O-C 3.47Å; L1587-I1590 WeakPolarHBondContact O-CA 3.29Å; L1587-I1590 WeakPolarHBondContact O-CB 3.45Å; L1587-I1590 PolarHBondContact O-N 2.95Å; L1587-S1591 WeakPolarHBondContact O-CB 3.02Å; L1587-S1591 PolarHBondContact O-N 3.26Å; L1587-S1591 PolarHBondContact O-OG 3.27Å; L1587-V1702 HydrophobicContact CD1-CG1 4.43Å; L1587-H1703 HydrophobicContact CD2-CB 3.26Å; L1587-T1706 HydrophobicContact CD2-CG2 4.32Å
1588E62.7Low53.9Low127 Ų12757.8 Ų57.859%0.59330%0.299SS*.Hα-helixtrans-49.4-41.5171.6-173.2-158.4173.900110.7T1584 S1591 S1592T1584-E1588 WeakPolarHBondContact O-CB 3.45Å; T1584-E1588 PolarHBondContact O-N 3.41Å; E1588-S1591 PolarHBondContact O-N 3.5Å; E1588-S1592 VanDerWaalsContact O-CB 3.27Å; E1588-S1592 WeakPolarHBondContact O-CB 3.46Å; E1588-S1592 PolarHBondContact O-N 2.96Å; E1588-S1592 PolarHBondContact O-OG 3.14Å
1589T61.6Low56.5Low31 Ų3149.6 Ų49.619%0.1926%0.263CS..Hα-helixtrans-64.4-44.5174.1-51.60000111.7V1417 Q1585 L1586 L1587 S1591 S1592 T1593V1417-T1589 HydrophobicContact CG1-CG2 3.37Å; Q1585-T1589 PolarHBondContact O-N 2.88Å; Q1585-T1589 VanDerWaalsContact O-N 3.17Å; Q1585-T1589 PolarHBondContact O-OG1 3.18Å; L1586-T1589 WeakPolarHBondContact O-CB 3.05Å; L1586-T1589 PolarHBondContact O-N 2.9Å; L1587-T1589 PolarHBondContact O-N 3.41Å; T1589-S1591 VanDerWaalsContact C-N 3.33Å; T1589-S1592 PolarHBondContact O-N 2.82Å; T1589-S1592 PolarHBondContact O-OG 3.21Å; T1589-T1593 PolarHBondContact O-N 3Å; T1589-T1593 VanDerWaalsContact O-N 3.12Å; T1589-T1593 PolarHBondContact O-OG1 3.27Å
1590I63.5Low58.9Low5 Ų547.4 Ų47.43%0.02625%0.251CS..Hα-helixtrans-64.2-36.6175.2-67.6167.7000111.5V1417 L1479 L1586 L1587 T1593 V1595 L1699V1417-I1590 HydrophobicContact CG2-CD1 4.24Å; V1417-I1590 HydrophobicContact CG2-CG1 4.22Å; L1479-I1590 HydrophobicContact CD1-CD1 3.55Å; L1586-I1590 WeakPolarHBondContact O-CG1 3.25Å; L1586-I1590 PolarHBondContact O-N 2.94Å; L1586-I1590 VanDerWaalsContact O-N 3.1Å; L1587-I1590 CarbonylContact O-C 3.47Å; L1587-I1590 WeakPolarHBondContact O-CA 3.29Å; L1587-I1590 WeakPolarHBondContact O-CB 3.45Å; L1587-I1590 PolarHBondContact O-N 2.95Å; I1590-T1593 WeakPolarHBondContact CA-OG1 3.32Å; I1590-T1593 PolarHBondContact O-N 2.87Å; I1590-T1593 PolarHBondContact O-OG1 2.65Å; I1590-V1595 HydrophobicContact CG2-CG2 4.38Å; I1590-L1699 HydrophobicContact CG2-CD2 4.45Å
1591S60.3Low60.9Low23 Ų2345.3 Ų45.316%0.16124%0.242CC..Hα-helixtrans-69.4-37.8176.9-66.70000112.8L1587 E1588 T1589 T1593 I1710L1587-S1591 WeakPolarHBondContact O-CB 3.02Å; L1587-S1591 PolarHBondContact O-N 3.26Å; L1587-S1591 PolarHBondContact O-OG 3.27Å; E1588-S1591 PolarHBondContact O-N 3.5Å; T1589-S1591 VanDerWaalsContact C-N 3.33Å; S1591-T1593 VanDerWaalsContact C-N 3.3Å; S1591-I1710 WeakPolarHBondContact OG-CD1 3.43Å
1592S58Low62.9Low94 Ų9436.5 Ų36.566%0.65720%0.204SC*.Hα-helixtrans-76-16.3175.374.10000113.6E1588 T1589E1588-S1592 VanDerWaalsContact O-CB 3.27Å; E1588-S1592 WeakPolarHBondContact O-CB 3.46Å; E1588-S1592 PolarHBondContact O-N 2.96Å; E1588-S1592 PolarHBondContact O-OG 3.14Å; T1589-S1592 PolarHBondContact O-N 2.82Å; T1589-S1592 PolarHBondContact O-OG 3.21Å
1593T57.5Low64.9Low12 Ų1236.4 Ų36.47%0.07420%0.2CC..THydrogen-bonded Turntrans-83.8148.6169.748.50000111.2V1422 D1423 T1589 I1590 S1591 V1595V1422-T1593 HydrophobicContact CG1-CG2 4.42Å; D1423-T1593 VanDerWaalsContact OD1-CG2 3.25Å; D1423-T1593 WeakPolarHBondContact OD1-CG2 3.02Å; T1589-T1593 PolarHBondContact O-N 3Å; T1589-T1593 VanDerWaalsContact O-N 3.12Å; T1589-T1593 PolarHBondContact O-OG1 3.27Å; I1590-T1593 WeakPolarHBondContact CA-OG1 3.32Å; I1590-T1593 PolarHBondContact O-N 2.87Å; I1590-T1593 PolarHBondContact O-OG1 2.65Å; S1591-T1593 VanDerWaalsContact C-N 3.3Å; T1593-V1595 PolarHBondContact O-N 2.89Å
1594E58.5Low66.7Low108 Ų10838.4 Ų38.451%0.50521%0.213SC..G310 helixtrans-67.432.7-179.5-57.2169.1-161.700114.3S1430 F1596 G1597S1430-E1594 WeakPolarHBondContact CB-OE2 3.47Å; S1430-E1594 PolarHBondContact OG-OE2 3.48Å; E1594-F1596 PolarHBondContact O-N 3Å; E1594-G1597 PolarHBondContact O-N 3.27Å
1595V58.3Low68Low8 Ų836.2 Ų36.25%0.04820%0.2CC..G310 helixtrans-57-32169.8175.80000110.5V1422 S1426 L1472 I1590 T1593 G1597 L1598V1422-V1595 HydrophobicContact CG1-CG2 4.01Å; S1426-V1595 WeakPolarHBondContact OG-CG2 3.42Å; S1426-V1595 PolarHBondContact OG-N 3.02Å; L1472-V1595 HydrophobicContact CD1-CG1 4.25Å; I1590-V1595 HydrophobicContact CG2-CG2 4.38Å; T1593-V1595 PolarHBondContact O-N 2.89Å; V1595-G1597 PolarHBondContact O-N 3.39Å; V1595-L1598 WeakPolarHBondContact O-CB 3.1Å; V1595-L1598 WeakPolarHBondContact O-CG 3.34Å; V1595-L1598 PolarHBondContact O-N 2.97Å
1596F60.9Low69.1Low27 Ų2732.3 Ų32.312%0.11818%0.182CC..G310 helixtrans-67-7.2171.2-64.6-82.1000114.7E1594 L1598 V1599 P1600 L1699 M1707 I1710 L1711E1594-F1596 PolarHBondContact O-N 3Å; F1596-L1598 PolarHBondContact O-N 3.33Å; F1596-L1598 VanDerWaalsContact O-N 3.11Å; F1596-V1599 WeakPolarHBondContact O-CB 3.15Å; F1596-V1599 PolarHBondContact O-N 2.85Å; F1596-P1600 WeakPolarHBondContact O-CD 3.41Å; F1596-L1699 HydrophobicContact CZ-CD2 4.34Å; F1596-M1707 HydrophobicContact CE1-CE 4Å; F1596-M1707 HydrophobicContact CE1-SD 3.94Å; F1596-M1707 HydrophobicContact CZ-CE 4.28Å; F1596-M1707 HydrophobicContact CZ-SD 3.61Å; F1596-I1710 HydrophobicContact CD1-CG2 3.78Å; F1596-I1710 HydrophobicContact CD2-CG2 3.91Å; F1596-I1710 HydrophobicContact CE1-CB 4.31Å; F1596-I1710 HydrophobicContact CE1-CG2 3.58Å; F1596-I1710 HydrophobicContact CE2-CD1 3.83Å; F1596-I1710 HydrophobicContact CE2-CG2 3.73Å; F1596-I1710 HydrophobicContact CG-CG2 3.95Å; F1596-I1710 HydrophobicContact CZ-CB 4.1Å; F1596-I1710 HydrophobicContact CZ-CD1 3.8Å; F1596-I1710 HydrophobicContact CZ-CG2 3.55Å; F1596-L1711 HydrophobicContact CD1-CD2 4.23Å; F1596-L1711 HydrophobicContact CE1-CD2 3.99Å
1597G67.4Low69.6Low13 Ų1336.7 Ų36.713%0.13420%0.204CC..G310 helixtrans-57.7-19.4166.100000113.2E1594 V1595 V1599 P1600 L1601E1594-G1597 PolarHBondContact O-N 3.27Å; V1595-G1597 PolarHBondContact O-N 3.39Å; G1597-V1599 VanDerWaalsContact C-N 3.27Å; G1597-V1599 PolarHBondContact O-N 3.31Å; G1597-P1600 WeakPolarHBondContact O-CD 3.27Å; G1597-L1601 WeakPolarHBondContact O-CB 3.34Å; G1597-L1601 PolarHBondContact O-N 2.95Å
1598L78.6Confident69.3Low5 Ų537.6 Ų37.63%0.02621%0.209CC..Hα-helixtrans-62.6-26.7168-72174000114L1429 I1469 V1595 F1596 L1601 L1602 T1692 L1695L1429-L1598 HydrophobicContact CB-CD2 4.22Å; L1429-L1598 HydrophobicContact CD1-CD1 4.34Å; L1429-L1598 HydrophobicContact CD1-CD2 3.99Å; L1429-L1598 HydrophobicContact CD1-CG 4.17Å; L1429-L1598 HydrophobicContact CD2-CD2 4.07Å; L1429-L1598 HydrophobicContact CG-CD2 4.32Å; I1469-L1598 HydrophobicContact CD1-CD2 4.28Å; I1469-L1598 HydrophobicContact CG1-CD1 4.25Å; I1469-L1598 HydrophobicContact CG1-CD2 4.11Å; V1595-L1598 WeakPolarHBondContact O-CB 3.1Å; V1595-L1598 WeakPolarHBondContact O-CG 3.34Å; V1595-L1598 PolarHBondContact O-N 2.97Å; F1596-L1598 PolarHBondContact O-N 3.33Å; F1596-L1598 VanDerWaalsContact O-N 3.11Å; L1598-L1601 HydrophobicContact CD2-CD2 3.99Å; L1598-L1602 VanDerWaalsContact O-CB 3.23Å; L1598-L1602 WeakPolarHBondContact O-CB 3.46Å; L1598-L1602 PolarHBondContact O-N 3.13Å; L1598-T1692 HydrophobicContact CB-CG2 4.07Å; L1598-L1695 HydrophobicContact CD1-CD2 3.46Å; L1598-L1695 VanDerWaalsContact CD1-CD2 3.46Å
1599V81Confident68.7Low2 Ų236.3 Ų36.31%0.01221%0.212CC..Hα-helixtrans-73.2-51.3178.7173.80000111.1F1596 G1597 L1601 L1602 Y1603 I1696 I1716 L1719 M1720 I1723F1596-V1599 WeakPolarHBondContact O-CB 3.15Å; F1596-V1599 PolarHBondContact O-N 2.85Å; G1597-V1599 VanDerWaalsContact C-N 3.27Å; G1597-V1599 PolarHBondContact O-N 3.31Å; V1599-L1601 VanDerWaalsContact C-N 3.33Å; V1599-L1601 PolarHBondContact O-N 3.43Å; V1599-L1602 PolarHBondContact O-N 2.64Å; V1599-Y1603 WeakPolarHBondContact O-CB 3.46Å; V1599-Y1603 PolarHBondContact O-N 2.94Å; V1599-I1696 HydrophobicContact CG2-CD1 4.31Å; V1599-I1716 HydrophobicContact CG1-CG2 4.44Å; V1599-L1719 HydrophobicContact CG1-CB 4.02Å; V1599-M1720 HydrophobicContact CB-SD 4.41Å; V1599-M1720 HydrophobicContact CG1-CG 3.96Å; V1599-M1720 HydrophobicContact CG1-SD 3.74Å; V1599-M1720 HydrophobicContact CG2-SD 3.75Å; V1599-I1723 HydrophobicContact CG1-CD1 3.97Å
1600P79.3Confident68.1Low59 Ų5940.9 Ų40.938%0.38323%0.229SC..Hα-helixtrans-56.5-41.7167.1-27.736.1000113.5F1596 G1597 L1602 Y1603 C1604 L1719F1596-P1600 WeakPolarHBondContact O-CD 3.41Å; G1597-P1600 WeakPolarHBondContact O-CD 3.27Å; P1600-L1602 PolarHBondContact O-N 3.46Å; P1600-Y1603 PolarHBondContact O-N 3.29Å; P1600-C1604 PolarHBondContact O-N 3.39Å; P1600-C1604 PolarHBondContact O-SG 3.47Å; P1600-L1719 HydrophobicContact CG-CD1 4.3Å
1601L80.7Confident67.3Low12 Ų1241.1 Ų41.16%0.06323%0.23CC..Hα-helixtrans-58.4-48.2176.5-178.865.3000111.5A1435 L1438 V1465 G1597 L1598 V1599 C1604 L1605A1435-L1601 HydrophobicContact CB-CD1 3.76Å; L1438-L1601 HydrophobicContact CD1-CD1 4.5Å; V1465-L1601 HydrophobicContact CG1-CD2 4.46Å; G1597-L1601 WeakPolarHBondContact O-CB 3.34Å; G1597-L1601 PolarHBondContact O-N 2.95Å; L1598-L1601 HydrophobicContact CD2-CD2 3.99Å; V1599-L1601 VanDerWaalsContact C-N 3.33Å; V1599-L1601 PolarHBondContact O-N 3.43Å; L1601-C1604 PolarHBondContact O-N 3.29Å; L1601-L1605 HydrophobicContact CD1-CD1 4.43Å; L1601-L1605 HydrophobicContact CG-CD1 4.16Å; L1601-L1605 VanDerWaalsContact O-CG 3.28Å; L1601-L1605 WeakPolarHBondContact O-CG 3.19Å; L1601-L1605 PolarHBondContact O-N 2.83Å
1602L83.7Confident66.4Low3 Ų343.2 Ų43.22%0.01625%0.245CC..Hα-helixtrans-65.4-39178.4-177.557.9000111.9L1598 V1599 P1600 L1605 L1606 T1689 T1692 I1723L1598-L1602 VanDerWaalsContact O-CB 3.23Å; L1598-L1602 WeakPolarHBondContact O-CB 3.46Å; L1598-L1602 PolarHBondContact O-N 3.13Å; V1599-L1602 PolarHBondContact O-N 2.64Å; P1600-L1602 PolarHBondContact O-N 3.46Å; L1602-L1605 PolarHBondContact O-N 3.43Å; L1602-L1606 HydrophobicContact CD1-CD1 3.9Å; L1602-L1606 HydrophobicContact CD1-CG 4.13Å; L1602-L1606 HydrophobicContact CG-CD1 3.95Å; L1602-L1606 WeakPolarHBondContact O-CB 3.18Å; L1602-L1606 VanDerWaalsContact O-CG 3.3Å; L1602-L1606 WeakPolarHBondContact O-CG 3.11Å; L1602-L1606 PolarHBondContact O-N 3.05Å; L1602-T1689 HydrophobicContact CD1-CG2 4.13Å; L1602-T1689 WeakPolarHBondContact CD1-OG1 3.13Å; L1602-T1692 HydrophobicContact CD2-CG2 4.04Å; L1602-I1723 HydrophobicContact CB-CD1 4.29Å; L1602-I1723 HydrophobicContact CD2-CD1 4.34Å; L1602-I1723 HydrophobicContact CD2-CG2 3.94Å; L1602-I1723 HydrophobicContact CG-CD1 4.24Å; L1602-I1723 HydrophobicContact CG-CG2 4.3Å
1603Y84.2Confident65.4Low59 Ų5943.2 Ų43.223%0.23123%0.231CC..Hα-helixtrans-59.5-48.9173.7-175-117.2000111.6V1599 P1600 L1605 L1606 L1607 L1719 H1722 I1723V1599-Y1603 WeakPolarHBondContact O-CB 3.46Å; V1599-Y1603 PolarHBondContact O-N 2.94Å; P1600-Y1603 PolarHBondContact O-N 3.29Å; Y1603-L1605 VanDerWaalsContact C-N 3.34Å; Y1603-L1605 PolarHBondContact O-N 3.04Å; Y1603-L1606 PolarHBondContact O-N 3.27Å; Y1603-L1607 HydrophobicContact CD1-CD1 3.66Å; Y1603-L1607 HydrophobicContact CD1-CG 4.31Å; Y1603-L1607 HydrophobicContact CE1-CD1 3.44Å; Y1603-L1607 VanDerWaalsContact CE1-CD1 3.44Å; Y1603-L1607 HydrophobicContact CE1-CG 4.1Å; Y1603-L1607 HydrophobicContact CE2-CD1 4.49Å; Y1603-L1607 HydrophobicContact CE2-CD2 4.45Å; Y1603-L1607 HydrophobicContact CE2-CG 4.27Å; Y1603-L1607 HydrophobicContact CG-CD1 4.31Å; Y1603-L1607 WeakPolarHBondContact O-CB 3.42Å; Y1603-L1607 WeakPolarHBondContact O-CG 3.42Å; Y1603-L1607 PolarHBondContact O-N 3.36Å; Y1603-L1719 HydrophobicContact CD1-CD2 3.36Å; Y1603-L1719 HydrophobicContact CD2-CD2 4.05Å; Y1603-L1719 HydrophobicContact CE1-CD2 3.54Å; Y1603-L1719 HydrophobicContact CE2-CD2 4.23Å; Y1603-L1719 HydrophobicContact CG-CD2 3.62Å; Y1603-H1722 HydrophobicContact CD2-CB 4.45Å; Y1603-H1722 HydrophobicContact CE2-CB 3.83Å; Y1603-I1723 HydrophobicContact CD2-CG1 4.19Å
1604C79.6Confident64.2Low66 Ų6647.5 Ų47.545%0.44626%0.261SS..Hα-helixtrans-61-37.6176.3-68.20000113.3A1435 P1600 L1601 L1606A1435-C1604 HydrophobicContact CB-CB 4.39Å; P1600-C1604 PolarHBondContact O-N 3.39Å; P1600-C1604 PolarHBondContact O-SG 3.47Å; L1601-C1604 PolarHBondContact O-N 3.29Å; C1604-L1606 VanDerWaalsContact C-N 3.33Å
1605L77.3Confident63.1Low5 Ų548 Ų483%0.02627%0.271CS..Hα-helixtrans-71.5-26.1177.4-69.3171.1000113.5L1438 L1601 L1602 Y1603 N1611 I1685 I1688L1438-L1605 HydrophobicContact CB-CD2 3.63Å; L1438-L1605 HydrophobicContact CD1-CD1 4.09Å; L1438-L1605 HydrophobicContact CD1-CD2 4.12Å; L1601-L1605 HydrophobicContact CD1-CD1 4.43Å; L1601-L1605 HydrophobicContact CG-CD1 4.16Å; L1601-L1605 VanDerWaalsContact O-CG 3.28Å; L1601-L1605 WeakPolarHBondContact O-CG 3.19Å; L1601-L1605 PolarHBondContact O-N 2.83Å; L1602-L1605 PolarHBondContact O-N 3.43Å; Y1603-L1605 VanDerWaalsContact C-N 3.34Å; Y1603-L1605 PolarHBondContact O-N 3.04Å; L1605-N1611 PolarHBondContact O-ND2 2.7Å; L1605-I1685 HydrophobicContact CB-CG2 4.4Å; L1605-I1688 HydrophobicContact CD1-CG2 3.96Å
1606L79.4Confident61.5Low4 Ų454.7 Ų54.72%0.02131%0.307CS..Hα-helixtrans-91.3-24178.5-66.2173.6000113.1L1602 Y1603 C1604 D1608 F1680 I1723 L1727 R1730L1602-L1606 HydrophobicContact CD1-CD1 3.9Å; L1602-L1606 HydrophobicContact CD1-CG 4.13Å; L1602-L1606 HydrophobicContact CG-CD1 3.95Å; L1602-L1606 WeakPolarHBondContact O-CB 3.18Å; L1602-L1606 VanDerWaalsContact O-CG 3.3Å; L1602-L1606 WeakPolarHBondContact O-CG 3.11Å; L1602-L1606 PolarHBondContact O-N 3.05Å; Y1603-L1606 PolarHBondContact O-N 3.27Å; C1604-L1606 VanDerWaalsContact C-N 3.33Å; L1606-D1608 VanDerWaalsContact C-N 3.32Å; L1606-D1608 PolarHBondContact O-N 3.26Å; L1606-F1680 HydrophobicContact CD2-CE1 3.98Å; L1606-I1723 HydrophobicContact CD1-CB 4.49Å; L1606-I1723 HydrophobicContact CD1-CG1 4.37Å; L1606-I1723 HydrophobicContact CD1-CG2 3.9Å; L1606-L1727 HydrophobicContact CD1-CD1 4.3Å; L1606-L1727 HydrophobicContact CD1-CD2 3.86Å; L1606-L1727 HydrophobicContact CD1-CG 4Å; L1606-L1727 HydrophobicContact CD2-CD2 3.9Å; L1606-R1730 PolarHBondContact O-NH1 3.05Å; L1606-R1730 PolarHBondContact O-NH2 2.96Å
1607L68.1Low59.8Low97 Ų9758.9 Ų58.951%0.50834%0.335SS..Hα-helixtrans-63.7-27.2-179.3-94.7172.8000115.2Y1603Y1603-L1607 HydrophobicContact CD1-CD1 3.66Å; Y1603-L1607 HydrophobicContact CD1-CG 4.31Å; Y1603-L1607 HydrophobicContact CE1-CD1 3.44Å; Y1603-L1607 VanDerWaalsContact CE1-CD1 3.44Å; Y1603-L1607 HydrophobicContact CE1-CG 4.1Å; Y1603-L1607 HydrophobicContact CE2-CD1 4.49Å; Y1603-L1607 HydrophobicContact CE2-CD2 4.45Å; Y1603-L1607 HydrophobicContact CE2-CG 4.27Å; Y1603-L1607 HydrophobicContact CG-CD1 4.31Å; Y1603-L1607 WeakPolarHBondContact O-CB 3.42Å; Y1603-L1607 WeakPolarHBondContact O-CG 3.42Å; Y1603-L1607 PolarHBondContact O-N 3.36Å
1608D55.8Low57.6Low30 Ų3064.8 Ų64.816%0.1637%0.369CS..  trans-51.7120.3-175.1-178-17.3000111.1N1442 L1606 K1610 N1611N1442-D1608 PolarHBondContact ND2-OD2 2.77Å; L1606-D1608 VanDerWaalsContact C-N 3.32Å; L1606-D1608 PolarHBondContact O-N 3.26Å; D1608-K1610 PolarHBondContact O-N 3.07Å; D1608-K1610 VanDerWaalsContact O-N 3.16Å; D1608-K1610 WeakPolarHBondContact OD1-CB 3.39Å; D1608-K1610 PolarHBondContact OD1-N 2.72Å; D1608-N1611 HydrophobicContact CB-CB 4.26Å; D1608-N1611 WeakPolarHBondContact O-CA 3.14Å; D1608-N1611 WeakPolarHBondContact O-CB 3.23Å; D1608-N1611 PolarHBondContact O-N 2.85Å
1609P49Very low55.1Low99 Ų9969.6 Ų69.664%0.64340%0.398SS*.G310 helixtrans-63-22.8-176.124.2-33.9000113.3N1611 S1612P1609-N1611 PolarHBondContact O-N 3.07Å; P1609-S1612 WeakPolarHBondContact O-CB 3.38Å; P1609-S1612 PolarHBondContact O-N 3.43Å; P1609-S1612 PolarHBondContact O-OG 3.49Å
1610K48.5Very low52.2Low128 Ų12876.4 Ų76.456%0.55744%0.44SS*.G310 helixtrans-66.4-19.2170.6-69.3-176.6168-170.30113.4N1442 N1443 D1608N1442-K1610 WeakPolarHBondContact ND2-CB 3.1Å; N1443-K1610 PolarHBondContact OD1-NZ 3.38Å; D1608-K1610 PolarHBondContact O-N 3.07Å; D1608-K1610 VanDerWaalsContact O-N 3.16Å; D1608-K1610 WeakPolarHBondContact OD1-CB 3.39Å; D1608-K1610 PolarHBondContact OD1-N 2.72Å
1611N47.6Very low49.6Very low9 Ų980.2 Ų80.25%0.04846%0.455CS..G310 helixtrans-96.21.7177.1-1415000111L1605 D1608 P1609 F1680 S1681 R1730L1605-N1611 PolarHBondContact O-ND2 2.7Å; D1608-N1611 HydrophobicContact CB-CB 4.26Å; D1608-N1611 WeakPolarHBondContact O-CA 3.14Å; D1608-N1611 WeakPolarHBondContact O-CB 3.23Å; D1608-N1611 PolarHBondContact O-N 2.85Å; P1609-N1611 PolarHBondContact O-N 3.07Å; N1611-F1680 WeakPolarHBondContact OD1-CA 3.12Å; N1611-S1681 PolarHBondContact OD1-N 3.23Å; N1611-R1730 PolarHBondContact O-NE 3.16Å; N1611-R1730 PolarHBondContact O-NH1 2.94Å
1612S41.2Very low46.8Very low68 Ų6883.3 Ų83.348%0.47649%0.491SS..  trans-94139.1179.480.60000112.1P1609P1609-S1612 WeakPolarHBondContact O-CB 3.38Å; P1609-S1612 PolarHBondContact O-N 3.43Å; P1609-S1612 PolarHBondContact O-OG 3.49Å
1613R37.3Very low44.1Very low94 Ų9488.6 Ų88.636%0.35552%0.523SS..  trans-89.3114.6172.3-172.1179.3-174.7173.15.2107.5V1615 V1732R1613-V1615 PolarHBondContact O-N 3.34Å; R1613-V1732 PolarHBondContact NH1-O 3.07Å
1614S32.5Very low41.2Very low101 Ų10192.5 Ų92.571%0.70655%0.548SS*.  trans-58.9123-179.454.50000110.8
1615V34.6Very low38.6Very low118 Ų11895 Ų9572%0.71556%0.561SS**  trans-81.8118.1175.4178.20000108.6R1613 T1617R1613-V1615 PolarHBondContact O-N 3.34Å; V1615-T1617 PolarHBondContact O-N 3.14Å; V1615-T1617 PolarHBondContact O-OG1 2.95Å
1616D23.9Very low36.1Very low150 Ų150101.1 Ų101.180%0.80259%0.594SS**  trans-60.692.4179.5-75.6-50.3000111.9
1617T26.3Very low33.5Very low114 Ų114107.3 Ų107.370%0.69963%0.626SS**  trans-95.7101.5171.9-53.90000108.3V1615 T1619V1615-T1617 PolarHBondContact O-N 3.14Å; V1615-T1617 PolarHBondContact O-OG1 2.95Å; T1617-T1619 PolarHBondContact O-N 3.34Å
1618T20.6Very low31.4Very low138 Ų138109.8 Ų109.885%0.84764%0.64SS**  trans-73.182-174.253.70000112.7
1619T25.6Very low30Very low106 Ų106112.5 Ų112.565%0.6566%0.661SS**  trans-131.4100.8170.9-51.10000111T1617 I1621T1617-T1619 PolarHBondContact O-N 3.34Å; T1619-I1621 HydrophobicContact CG2-CG1 4.48Å; T1619-I1621 PolarHBondContact O-N 3.09Å
1620T20.6Very low28.8Very low144 Ų144115.6 Ų115.688%0.88367%0.667SS**  trans-73.9106.2175.6-55.20000111.2
1621I25.7Very low27.7Very low139 Ų139116.6 Ų116.671%0.71368%0.676SS**  trans-131103.8159.3-61.8-178.1000108.5T1619 V1623T1619-I1621 HydrophobicContact CG2-CG1 4.48Å; T1619-I1621 PolarHBondContact O-N 3.09Å; I1621-V1623 HydrophobicContact CG2-CG2 3.87Å
1622G21Very low26.5Very low78 Ų78121 Ų12180%0.80470%0.703SS**  trans-95.8111.2167.300000109.9
1623V28Very low25.7Very low113 Ų113123.1 Ų123.169%0.68571%0.713SS**  trans-117.8108.5168.9173.90000107.9I1621 V1625I1621-V1623 HydrophobicContact CG2-CG2 3.87Å; V1623-V1625 PolarHBondContact O-N 3.35Å
1624N22.2Very low25Very low141 Ų141123.9 Ų123.975%0.75473%0.728SS**  trans-76.3113.2171.4-178.537.9000108.8N1626N1624-N1626 PolarHBondContact O-N 3.26Å
1625V24.7Very low24.7Very low120 Ų120126.1 Ų126.173%0.72773%0.733SS**  trans-82.1107.6-177.3-176.70000109.5V1623V1623-V1625 PolarHBondContact O-N 3.35Å
1626N25.2Very low24Very low133 Ų133126.8 Ų126.871%0.71174%0.741SS**  trans-132.1103.8168.9-106.31.7000109.4N1624N1624-N1626 PolarHBondContact O-N 3.26Å
1627N24.6Very low24Very low133 Ų133126.1 Ų126.171%0.71174%0.742SS**  trans33.4152.3146.5-66.78.3000123.1
1628D25.8Very low24Very low150 Ų150127.8 Ų127.880%0.80275%0.745SS**  trans81135.7159-52.7-31.5000118
1629S24.7Very low24.4Very low86 Ų86126.6 Ų126.660%0.60174%0.74SS**  cis-170.4155-21.6560000109.2
1630H23.8Very low24.4Very low164 Ų164127.1 Ų127.176%0.75974%0.743SS**  trans62.9163.6159.7-65.4-63.7000120
1631M25Very low24.7Very low150 Ų150125 Ų12574%0.73973%0.734SS**  trans68.6131.6166.3-56.2-59.6103.200117.1
1632T24.3Very low24.6Very low101 Ų101127.5 Ų127.562%0.6274%0.743SS**  cis-174158.9-27.48.80000106.8
1633T23.2Very low24.7Very low112 Ų112129.2 Ų129.269%0.68774%0.741SS**  trans51.8102.8153.654.60000119.5
1634T22.6Very low24.6Very low110 Ų110128.3 Ų128.368%0.67574%0.74SS**  31.5127.7107.465.10000117.1
1635N25.8Very low24.7Very low149 Ų149128 Ų12880%0.79774%0.738SS**  -161.3153.457.3-79.8-69.9000112.6
1636C19.6Very low24.7Very low131 Ų131130.2 Ų130.289%0.88575%0.746SS**  trans-82.9143.5165.8-59.50000111.2
1637T25.3Very low24.7Very low136 Ų136134.8 Ų134.883%0.83475%0.753SS**  trans-146.4139.9160.2-54.30000111.2
1638I26.6Very low24.8Very low149 Ų149135.4 Ų135.476%0.76476%0.757SS**  trans-68.2142.4-178.4-65.7148.5000110.7
1639P29Very low25Very low113 Ų113137.9 Ų137.973%0.73476%0.763SS**  -155.615286.841.3-19.9000121.4
1640T25.2Very low25Very low118 Ų118144.3 Ų144.372%0.72477%0.774SS**  trans5.8152.2147.662.10000124.6
1641S26.5Very low25.2Very low98 Ų98147.8 Ų147.869%0.68578%0.78SS**  trans78.6116.1137.762.10000122.5
1642E24Very low25.3Very low192 Ų192149.9 Ų149.990%0.89779%0.785SS**  trans70.9126.3133.3-63.4-171.7163.700123.5
1643C23.3Very low25.5Very low114 Ų114152.7 Ų152.777%0.7780%0.796SS**  trans64.5103.4142.3-146.30000121.8
1644S24.3Very low25.4Very low94 Ų94152.3 Ų152.366%0.65779%0.794SS**  trans56.5121139.768.30000121.5
1645D26.1Very low25.4Very low135 Ų135155.4 Ų155.472%0.72280%0.8SS**  trans43.7111.7139.4-77.3-59000120.2
1646N24Very low25.3Very low167 Ų167152.7 Ų152.789%0.89379%0.789SS**  -141127.8128.4-104-67.1000111.7
1647R25.2Very low25.3Very low229 Ų229155.2 Ų155.286%0.86479%0.785SS**  trans-87.7119169-59.8175.4-176.8176.5-0.4108.6
1648D27.2Very low25.1Very low146 Ų146157.3 Ų157.378%0.78178%0.783SS**  trans-148.369.3166.8-150.8-7.8000115.1
1649H28.6Very low24.9Very low201 Ų201155.5 Ų155.593%0.93178%0.783SS**  trans-133.481.2166.6-101.234.1000111.7
1650R26.1Very low24.5Very low222 Ų222154.6 Ų154.684%0.83878%0.779SS**  trans-147.189153.5-156.4178.4-168.1-151.63.9113.4
1651R28.3Very low24.4Very low236 Ų236156.1 Ų156.189%0.89178%0.782SS**  trans-114.3144.8161.1-73.9-176.8173.9-173.40.2110.3
1652K26Very low24.1Very low194 Ų194158.8 Ų158.884%0.84378%0.783SS**  trans14.6135.6149.4-55.9176.1-177.2179.70116.9
1653L27.7Very low24.2Very low161 Ų161155.6 Ų155.684%0.84378%0.782SS**  -152.8171.152.9-160.463000114.1
1654T22.9Very low24.1Very low104 Ų104159.5 Ų159.564%0.63879%0.786SS**  trans-99.3155.4179.754.30000113.1
1655Q22.8Very low23.9Very low175 Ų175161 Ų16182%0.81880%0.796SS**  trans66.9160160-64.4-177.326.100116.3
1656T21.9Very low23.7Very low91 Ų91159.8 Ų159.856%0.55880%0.799SS**  cis-166.3155.5-21.433.20000108.6
1657K21.4Very low23.5Very low185 Ų185157.1 Ų157.180%0.80479%0.793SS**  trans65163.9157.9-66.3154.6-177.9172.50114.7
1658K20.6Very low23.5Very low179 Ų179152.9 Ų152.978%0.77879%0.792SS**  cis-166.7151.6-31.9-109.7-171173-168.90105.3
1659S21.5Very low23.3Very low111 Ų111151.7 Ų151.778%0.77679%0.79SS**  trans60.1159.3159.336.10000117.1
1660S21Very low23.1Very low94 Ų94147.7 Ų147.766%0.65778%0.783SS**  cis-176.7142.4-29.652.90000105.9
1661I22.3Very low22.8Very low150 Ų150144.4 Ų144.477%0.76978%0.783SS**  176.6159.499.1-96.5150.1000108.8
1662H21.5Very low23Very low154 Ų154138.7 Ų138.771%0.71378%0.779SS**  trans-37.4140.4174.2-55.8-83.2000117.4
1663S25.4Very low22.9Very low126 Ų126136.1 Ų136.188%0.88177%0.774SS**  -132.1133.4124.9-78.80000108.2
1664K20.7Very low22.9Very low196 Ų196134.4 Ų134.485%0.85277%0.774SS**PPolyproline II helixtrans-94.8125.4172.8-66.8178.3-179.9177.60108.7
1665S21.6Very low23.2Very low124 Ų124137.1 Ų137.187%0.86778%0.779SS**PPolyproline II helixtrans-92.4137.716147.50000109.6
1666S20.5Very low23.9Very low111 Ų111133.3 Ų133.378%0.77676%0.764SS**PPolyproline II helixtrans-95.6137.3173.852.30000110.6
1667S20.9Very low25.5Very low110 Ų110133.3 Ų133.377%0.76977%0.768SS**PPolyproline II helixtrans-59.4139.1173.951.50000112.9
1668V25.4Very low27.5Very low140 Ų140128 Ų12885%0.84875%0.748SS**  trans-117.6132.5154.3177.30000107
1669V23.1Very low29.9Very low121 Ų121120.5 Ų120.573%0.73372%0.718SS**  trans-88.8137.8-176.9177.40000109.6
1670C23.9Very low32.6Very low118 Ų118115.6 Ų115.680%0.79768%0.683SS**  trans-113.1125.4169.245.90000110.2
1671N19.8Very low34.9Very low153 Ų153113.8 Ų113.882%0.81867%0.67SS**  trans-90135.9168.4-78.91.5000109.3
1672S31.2Very low37.5Very low116 Ų116107.6 Ų107.681%0.81164%0.64SS**  trans-136.5126161.147.90000109.3
1673N24.6Very low40.5Very low139 Ų139104 Ų10474%0.74362%0.624SS**  trans-79.7126.9173.3-74-3.2000108.8
1674C28.1Very low43.2Very low125 Ų125100.4 Ų100.485%0.84559%0.594SS**  trans-70.8131162.340.40000109.1
1675H28.1Very low46.2Very low161 Ų16191.4 Ų91.475%0.74556%0.555SS**  trans-107.3135.8169-84-99.7000108.4S1677H1675-S1677 PolarHBondContact O-N 3.24Å; H1675-S1677 VanDerWaalsContact O-N 3.08Å
1676D39.2Very low49.3Very low95 Ų9585.6 Ų85.651%0.50851%0.514SS..  trans-61.7111.7175.2-51.8-66000110Q1736D1676-Q1736 PolarHBondContact OD1-NE2 3.46Å; D1676-Q1736 VanDerWaalsContact OD1-NE2 3.07Å
1677S54Low52.6Low91 Ų9183.9 Ų83.964%0.63649%0.494SS*.  trans-76.9132.7175.944.40000110.8H1675H1675-S1677 PolarHBondContact O-N 3.24Å; H1675-S1677 VanDerWaalsContact O-N 3.08Å
1678L63.8Low55.8Low73 Ų7378.8 Ų78.838%0.38246%0.458SS..  trans-75.2149.2176-73.184.3000110F1680 I1870L1678-F1680 PolarHBondContact O-N 3.46Å; L1678-I1870 HydrophobicContact CD2-CB 4.34Å; L1678-I1870 HydrophobicContact CD2-CD1 3.69Å; L1678-I1870 HydrophobicContact CD2-CG2 4.03Å
1679P72.2Confident58.8Low22 Ų2272.1 Ų72.114%0.14342%0.417CS..SBendtrans-72-14.5-172.728.2-36000114.7R1730 T1874P1679-R1730 HydrophobicContact CB-CB 4.36Å; P1679-R1730 WeakPolarHBondContact CB-O 3.27Å; P1679-T1874 HydrophobicContact CB-CG2 4.31Å; P1679-T1874 HydrophobicContact CG-CG2 3.79Å; P1679-T1874 VanDerWaalsContact CG-OG1 3.27Å; P1679-T1874 WeakPolarHBondContact CG-OG1 3.17Å
1680F76.8Confident62.2Low9 Ų967.1 Ų67.14%0.03939%0.387CS..  trans-135140.9173.9-63.1-89.3000109.2L1606 N1611 L1678 S1682 A1686 L1727 I1877L1606-F1680 HydrophobicContact CD2-CE1 3.98Å; N1611-F1680 WeakPolarHBondContact OD1-CA 3.12Å; L1678-F1680 PolarHBondContact O-N 3.46Å; F1680-S1682 VanDerWaalsContact C-N 3.27Å; F1680-S1682 PolarHBondContact O-N 3.05Å; F1680-A1686 HydrophobicContact CB-CB 4.3Å; F1680-A1686 HydrophobicContact CD1-CB 4.31Å; F1680-A1686 HydrophobicContact CD2-CB 3.83Å; F1680-A1686 HydrophobicContact CE2-CB 4.23Å; F1680-A1686 HydrophobicContact CG-CB 3.9Å; F1680-L1727 HydrophobicContact CE1-CD2 3.95Å; F1680-L1727 HydrophobicContact CZ-CD2 3.82Å; F1680-I1877 HydrophobicContact CE2-CD1 3.65Å; F1680-I1877 HydrophobicContact CZ-CD1 3.64Å; F1680-I1877 HydrophobicContact CZ-CG2 4.4Å
1681S69.7Low65.3Low56 Ų5663.9 Ų63.939%0.39236%0.362SS..SBendtrans-75-15.1176.5720000113.9N1442 N1611N1442-S1681 PolarHBondContact ND2-OG 2.84Å; N1442-S1681 WeakPolarHBondContact OD1-CB 3.35Å; N1442-S1681 PolarHBondContact OD1-OG 3.41Å; N1611-S1681 PolarHBondContact OD1-N 3.23Å
1682S77.9Confident68.7Low19 Ų1956.7 Ų56.713%0.13332%0.323CS..  trans-145.9127.7179.8176.20000111.3F1680 I1684 I1685 A1686F1680-S1682 VanDerWaalsContact C-N 3.27Å; F1680-S1682 PolarHBondContact O-N 3.05Å; S1682-I1684 PolarHBondContact O-N 3.15Å; S1682-I1685 PolarHBondContact O-N 3.43Å; S1682-I1685 VanDerWaalsContact O-N 3.09Å; S1682-A1686 PolarHBondContact O-N 2.75Å
1683E82.8Confident71.6Confident80 Ų8051.2 Ų51.237%0.37429%0.285SS..Hα-helixtrans-54.1-38.8175.6-173.5169.3-162.600112I1685 A1686 E1687 H1869 I1870 I1873E1683-I1685 VanDerWaalsContact C-N 3.33Å; E1683-I1685 PolarHBondContact O-N 3.09Å; E1683-A1686 CarbonylContact O-C 3.55Å; E1683-A1686 WeakPolarHBondContact O-CA 3.09Å; E1683-A1686 WeakPolarHBondContact O-CB 3.19Å; E1683-A1686 PolarHBondContact O-N 3.04Å; E1683-A1686 VanDerWaalsContact O-N 3.09Å; E1683-E1687 PolarHBondContact O-N 2.89Å; E1683-H1869 IonicContact OE1-CD2 3.13Å; E1683-I1870 HydrophobicContact CG-CG1 4.41Å; E1683-I1873 HydrophobicContact CG-CD1 4.26Å
1684I83.3Confident74.7Confident49 Ų4947.1 Ų47.125%0.25126%0.26SS..Hα-helixtrans-69.8-30.3-179.3-55.6173.1000111.6Q1462 S1682 A1686 E1687 I1688Q1462-I1684 HydrophobicContact CB-CG2 4.08Å; Q1462-I1684 HydrophobicContact CG-CG2 3.85Å; S1682-I1684 PolarHBondContact O-N 3.15Å; I1684-A1686 VanDerWaalsContact C-N 3.34Å; I1684-E1687 PolarHBondContact O-N 3.25Å; I1684-I1688 HydrophobicContact CG2-CD1 4.15Å; I1684-I1688 WeakPolarHBondContact O-CB 3.4Å; I1684-I1688 VanDerWaalsContact O-CG1 3.28Å; I1684-I1688 WeakPolarHBondContact O-CG1 3.42Å; I1684-I1688 PolarHBondContact O-N 2.7Å
1685I83.5Confident77.7Confident8 Ų841.3 Ų41.34%0.04122%0.221CC..Hα-helixtrans-70.4-36.3172.7-62.1176.8000109.9L1605 S1682 E1683 T1689L1605-I1685 HydrophobicContact CB-CG2 4.4Å; S1682-I1685 PolarHBondContact O-N 3.43Å; S1682-I1685 VanDerWaalsContact O-N 3.09Å; E1683-I1685 VanDerWaalsContact C-N 3.33Å; E1683-I1685 PolarHBondContact O-N 3.09Å; I1685-T1689 WeakPolarHBondContact O-CB 3.37Å; I1685-T1689 PolarHBondContact O-N 3.19Å; I1685-T1689 PolarHBondContact O-OG1 2.88Å
1686A87.3Confident80.6Confident1 Ų134.3 Ų34.31%0.00819%0.189CC..Hα-helixtrans-66.4-42.9173.500000111.5F1680 S1682 E1683 I1684 T1689 L1690 I1873 I1877F1680-A1686 HydrophobicContact CB-CB 4.3Å; F1680-A1686 HydrophobicContact CD1-CB 4.31Å; F1680-A1686 HydrophobicContact CD2-CB 3.83Å; F1680-A1686 HydrophobicContact CE2-CB 4.23Å; F1680-A1686 HydrophobicContact CG-CB 3.9Å; S1682-A1686 PolarHBondContact O-N 2.75Å; E1683-A1686 CarbonylContact O-C 3.55Å; E1683-A1686 WeakPolarHBondContact O-CA 3.09Å; E1683-A1686 WeakPolarHBondContact O-CB 3.19Å; E1683-A1686 PolarHBondContact O-N 3.04Å; E1683-A1686 VanDerWaalsContact O-N 3.09Å; I1684-A1686 VanDerWaalsContact C-N 3.34Å; A1686-T1689 WeakPolarHBondContact O-CB 3.13Å; A1686-T1689 PolarHBondContact O-N 2.72Å; A1686-L1690 WeakPolarHBondContact O-CB 3.47Å; A1686-L1690 PolarHBondContact O-N 2.9Å; A1686-I1873 HydrophobicContact CB-CG2 3.69Å; A1686-I1877 HydrophobicContact CB-CD1 3.91Å; A1686-I1877 WeakPolarHBondContact O-CD1 3.06Å
1687E88.1Confident82.9Confident75 Ų7529.9 Ų29.935%0.3517%0.165SC..Hα-helixtrans-59.5-46.6172.9-71.8-163.612800112.9L1466 E1683 I1684 T1689 L1690 N1691L1466-E1687 HydrophobicContact CD2-CB 4.2Å; E1683-E1687 PolarHBondContact O-N 2.89Å; I1684-E1687 PolarHBondContact O-N 3.25Å; E1687-T1689 VanDerWaalsContact C-N 3.32Å; E1687-T1689 PolarHBondContact O-N 3.25Å; E1687-L1690 PolarHBondContact O-N 2.91Å; E1687-N1691 WeakPolarHBondContact O-CB 3.46Å; E1687-N1691 PolarHBondContact O-N 2.86Å; E1687-N1691 PolarHBondContact O-ND2 2.83Å
1688I87.9Confident84.4Confident3 Ų325.7 Ų25.72%0.01514%0.136CC..Hα-helixtrans-63-41.6178.1-70.2168.9000110.2L1438 V1465 L1466 I1469 L1605 I1684 T1692L1438-I1688 HydrophobicContact CD1-CD1 4.13Å; L1438-I1688 HydrophobicContact CD2-CD1 3.93Å; V1465-I1688 HydrophobicContact CG1-CD1 4.37Å; V1465-I1688 HydrophobicContact CG1-CG1 4.38Å; V1465-I1688 HydrophobicContact CG1-CG2 4.21Å; L1466-I1688 HydrophobicContact CD2-CB 4.5Å; L1466-I1688 HydrophobicContact CD2-CG1 3.73Å; L1466-I1688 HydrophobicContact CG-CG1 4.01Å; I1469-I1688 HydrophobicContact CD1-CG2 4.43Å; L1605-I1688 HydrophobicContact CD1-CG2 3.96Å; I1684-I1688 HydrophobicContact CG2-CD1 4.15Å; I1684-I1688 WeakPolarHBondContact O-CB 3.4Å; I1684-I1688 VanDerWaalsContact O-CG1 3.28Å; I1684-I1688 WeakPolarHBondContact O-CG1 3.42Å; I1684-I1688 PolarHBondContact O-N 2.7Å; I1688-T1692 VanDerWaalsContact O-CB 3.26Å; I1688-T1692 WeakPolarHBondContact O-CB 3.36Å; I1688-T1692 PolarHBondContact O-N 3.33Å; I1688-T1692 PolarHBondContact O-OG1 3.47Å
1689T89.9Confident85.4Confident0 Ų022.4 Ų22.40%012%0.118CC..Hα-helixtrans-59-52.9174.5-59.70000111.1L1602 I1685 A1686 E1687 N1691 T1692 L1693 L1727 I1877L1602-T1689 HydrophobicContact CD1-CG2 4.13Å; L1602-T1689 WeakPolarHBondContact CD1-OG1 3.13Å; I1685-T1689 WeakPolarHBondContact O-CB 3.37Å; I1685-T1689 PolarHBondContact O-N 3.19Å; I1685-T1689 PolarHBondContact O-OG1 2.88Å; A1686-T1689 WeakPolarHBondContact O-CB 3.13Å; A1686-T1689 PolarHBondContact O-N 2.72Å; E1687-T1689 VanDerWaalsContact C-N 3.32Å; E1687-T1689 PolarHBondContact O-N 3.25Å; T1689-N1691 PolarHBondContact O-N 3.4Å; T1689-T1692 PolarHBondContact O-N 2.94Å; T1689-L1693 HydrophobicContact CG2-CD1 4.06Å; T1689-L1693 WeakPolarHBondContact O-CG 3.15Å; T1689-L1693 PolarHBondContact O-N 2.72Å; T1689-L1727 HydrophobicContact CG2-CD1 3.84Å; T1689-L1727 HydrophobicContact CG2-CD2 3.79Å; T1689-I1877 HydrophobicContact CG2-CD1 4.25Å; T1689-I1877 HydrophobicContact CG2-CG1 4.44Å; T1689-I1877 HydrophobicContact CG2-CG2 4.1Å
1690L93.2Very high85.9Confident16 Ų1621.7 Ų21.78%0.08412%0.115CC..Hα-helixtrans-59.6-46.5-178179.555.9000112.3A1686 E1687 L1693 K1694 I1873 N1876 I1877 E1880A1686-L1690 WeakPolarHBondContact O-CB 3.47Å; A1686-L1690 PolarHBondContact O-N 2.9Å; E1687-L1690 PolarHBondContact O-N 2.91Å; L1690-L1693 PolarHBondContact O-N 2.72Å; L1690-K1694 HydrophobicContact CD1-CD 4.3Å; L1690-K1694 HydrophobicContact CG-CD 4.31Å; L1690-K1694 WeakPolarHBondContact O-CB 3.43Å; L1690-K1694 WeakPolarHBondContact O-CG 3.5Å; L1690-K1694 PolarHBondContact O-N 3.49Å; L1690-I1873 HydrophobicContact CD2-CG2 4.33Å; L1690-N1876 HydrophobicContact CD1-CB 3.84Å; L1690-N1876 HydrophobicContact CD2-CB 3.88Å; L1690-I1877 HydrophobicContact CB-CD1 4.37Å; L1690-I1877 HydrophobicContact CB-CG1 3.74Å; L1690-I1877 HydrophobicContact CD1-CG1 4.03Å; L1690-I1877 HydrophobicContact CG-CG1 4.37Å; L1690-E1880 HydrophobicContact CD1-CG 3.88Å
1691N90.7Very high86Confident51 Ų5123.9 Ų23.927%0.27313%0.131SC..Hα-helixtrans-71.6-33.4-179.8-73-75.9000111.9L1466 I1469 E1687 T1689 K1694 L1695L1466-N1691 HydrophobicContact CD2-CB 4.49Å; I1469-N1691 VanDerWaalsContact CG2-C 3.5Å; I1469-N1691 HydrophobicContact CG2-CB 3.81Å; I1469-N1691 VanDerWaalsContact CG2-O 3.23Å; I1469-N1691 WeakPolarHBondContact CG2-O 3.46Å; E1687-N1691 WeakPolarHBondContact O-CB 3.46Å; E1687-N1691 PolarHBondContact O-N 2.86Å; E1687-N1691 PolarHBondContact O-ND2 2.83Å; T1689-N1691 PolarHBondContact O-N 3.4Å; N1691-K1694 PolarHBondContact O-N 2.75Å; N1691-L1695 PolarHBondContact O-N 3.2Å
1692T90.7Very high86.3Confident2 Ų222 Ų221%0.01212%0.117CC..Hα-helixtrans-65.6-42.6174.4-57.60000111.4I1469 L1598 L1602 I1688 T1689 L1695 I1696I1469-T1692 WeakPolarHBondContact CD1-OG1 3.14Å; L1598-T1692 HydrophobicContact CB-CG2 4.07Å; L1602-T1692 HydrophobicContact CD2-CG2 4.04Å; I1688-T1692 VanDerWaalsContact O-CB 3.26Å; I1688-T1692 WeakPolarHBondContact O-CB 3.36Å; I1688-T1692 PolarHBondContact O-N 3.33Å; I1688-T1692 PolarHBondContact O-OG1 3.47Å; T1689-T1692 PolarHBondContact O-N 2.94Å; T1692-L1695 WeakPolarHBondContact O-CB 3.29Å; T1692-L1695 PolarHBondContact O-N 2.69Å; T1692-I1696 HydrophobicContact CG2-CD1 4.09Å; T1692-I1696 WeakPolarHBondContact O-CG1 3.3Å; T1692-I1696 PolarHBondContact O-N 2.94Å
1693L91.4Very high86.3Confident0 Ų023.8 Ų23.80%012%0.123CC..Hα-helixtrans-63.5-44173.8-68.9167000111.8T1689 L1690 L1695 I1696 N1697 L1727 I1877 E1880 V1881T1689-L1693 HydrophobicContact CG2-CD1 4.06Å; T1689-L1693 WeakPolarHBondContact O-CG 3.15Å; T1689-L1693 PolarHBondContact O-N 2.72Å; L1690-L1693 PolarHBondContact O-N 2.72Å; L1693-L1695 VanDerWaalsContact C-N 3.25Å; L1693-L1695 PolarHBondContact O-N 2.75Å; L1693-I1696 PolarHBondContact O-N 3.3Å; L1693-I1696 VanDerWaalsContact O-N 3.16Å; L1693-N1697 WeakPolarHBondContact O-CB 3.36Å; L1693-N1697 PolarHBondContact O-N 3.29Å; L1693-N1697 PolarHBondContact O-ND2 2.61Å; L1693-L1727 HydrophobicContact CD1-CD1 4.09Å; L1693-I1877 HydrophobicContact CD1-CG2 4.01Å; L1693-E1880 HydrophobicContact CB-CB 3.86Å; L1693-E1880 HydrophobicContact CD1-CB 4.3Å; L1693-V1881 HydrophobicContact CD1-CG2 3.73Å; L1693-V1881 HydrophobicContact CD2-CG2 4.4Å
1694K91Very high86.3Confident54 Ų5422.5 Ų22.524%0.23512%0.117CC..Hα-helixtrans-57.1-37.5173.9-80.5173.3177178.10112.6L1690 N1691 S1698 E1880L1690-K1694 HydrophobicContact CD1-CD 4.3Å; L1690-K1694 HydrophobicContact CG-CD 4.31Å; L1690-K1694 WeakPolarHBondContact O-CB 3.43Å; L1690-K1694 WeakPolarHBondContact O-CG 3.5Å; L1690-K1694 PolarHBondContact O-N 3.49Å; N1691-K1694 PolarHBondContact O-N 2.75Å; K1694-S1698 VanDerWaalsContact O-CB 3.27Å; K1694-S1698 WeakPolarHBondContact O-CB 3.12Å; K1694-S1698 PolarHBondContact O-N 3.06Å; K1694-S1698 PolarHBondContact O-OG 3.27Å; K1694-E1880 WeakPolarHBondContact CE-OE1 3.33Å; K1694-E1880 HydrophobicContact CG-CG 3.95Å; K1694-E1880 VanDerWaalsContact CG-OE1 3.23Å; K1694-E1880 WeakPolarHBondContact CG-OE1 3.32Å
1695L90.2Very high86.2Confident3 Ų325 Ų252%0.01613%0.131CC..Hα-helixtrans-66.6-50.6173.217759.7000111.6I1469 L1472 L1598 N1691 T1692 L1693 N1697 S1698 L1699I1469-L1695 HydrophobicContact CG2-CB 4.08Å; I1469-L1695 HydrophobicContact CG2-CD2 4.18Å; L1472-L1695 HydrophobicContact CB-CD1 3.79Å; L1472-L1695 HydrophobicContact CB-CD2 3.91Å; L1472-L1695 HydrophobicContact CD1-CD2 4.18Å; L1598-L1695 HydrophobicContact CD1-CD2 3.46Å; L1598-L1695 VanDerWaalsContact CD1-CD2 3.46Å; N1691-L1695 PolarHBondContact O-N 3.2Å; T1692-L1695 WeakPolarHBondContact O-CB 3.29Å; T1692-L1695 PolarHBondContact O-N 2.69Å; L1693-L1695 VanDerWaalsContact C-N 3.25Å; L1693-L1695 PolarHBondContact O-N 2.75Å; L1695-N1697 PolarHBondContact O-N 2.61Å; L1695-S1698 CarbonylContact O-C 3.26Å; L1695-S1698 WeakPolarHBondContact O-CA 3.41Å; L1695-S1698 WeakPolarHBondContact O-CB 3.14Å; L1695-S1698 PolarHBondContact O-N 3.3Å; L1695-S1698 VanDerWaalsContact O-N 3.08Å; L1695-L1699 HydrophobicContact CD1-CD1 3.4Å; L1695-L1699 HydrophobicContact CG-CD1 3.82Å; L1695-L1699 WeakPolarHBondContact O-CD1 3.41Å; L1695-L1699 PolarHBondContact O-N 2.7Å
1696I87.8Confident86Confident13 Ų1326.3 Ų26.37%0.06714%0.14CC..Hα-helixtrans-58.1-47.5179.5-68.3166.1000110.9V1599 T1692 L1693 S1698 L1699 A1700 M1707 L1711 M1720V1599-I1696 HydrophobicContact CG2-CD1 4.31Å; T1692-I1696 HydrophobicContact CG2-CD1 4.09Å; T1692-I1696 WeakPolarHBondContact O-CG1 3.3Å; T1692-I1696 PolarHBondContact O-N 2.94Å; L1693-I1696 PolarHBondContact O-N 3.3Å; L1693-I1696 VanDerWaalsContact O-N 3.16Å; I1696-S1698 VanDerWaalsContact C-N 3.3Å; I1696-S1698 PolarHBondContact O-N 2.9Å; I1696-L1699 PolarHBondContact O-N 3.12Å; I1696-L1699 VanDerWaalsContact O-N 3.15Å; I1696-A1700 PolarHBondContact O-N 3.29Å; I1696-M1707 HydrophobicContact CG2-CE 4.05Å; I1696-L1711 HydrophobicContact CG2-CD1 4.06Å; I1696-M1720 HydrophobicContact CD1-CE 4.35Å; I1696-M1720 HydrophobicContact CD1-SD 4.43Å
1697N88.5Confident85.8Confident2 Ų226.5 Ų26.51%0.01114%0.14CC..Hα-helixtrans-62.7-35.7175.8-69.9-23.7000112.1L1693 L1695 A1700 S1701 E1880 L1883 C1884 Y1887L1693-N1697 WeakPolarHBondContact O-CB 3.36Å; L1693-N1697 PolarHBondContact O-N 3.29Å; L1693-N1697 PolarHBondContact O-ND2 2.61Å; L1695-N1697 PolarHBondContact O-N 2.61Å; N1697-A1700 PolarHBondContact O-N 2.89Å; N1697-S1701 PolarHBondContact O-N 2.7Å; N1697-S1701 VanDerWaalsContact O-N 3.15Å; N1697-E1880 PolarHBondContact ND2-O 2.92Å; N1697-E1880 PolarHBondContact ND2-OE2 2.76Å; N1697-L1883 WeakPolarHBondContact ND2-CB 3.28Å; N1697-C1884 WeakPolarHBondContact OD1-CA 3.46Å; N1697-C1884 VanDerWaalsContact OD1-CB 3.27Å; N1697-C1884 WeakPolarHBondContact OD1-CB 3.27Å; N1697-C1884 PolarHBondContact OD1-N 3.28Å; N1697-Y1887 HydrophobicContact CB-CD2 4.48Å; N1697-Y1887 HydrophobicContact CB-CE2 4.31Å
1698S85.1Confident85.6Confident3 Ų323.2 Ų23.22%0.02113%0.125CC..Hα-helixtrans-69-33.1173.9-61.20000112.8T1476 K1694 L1695 I1696 S1701 V1702T1476-S1698 VanDerWaalsContact CG2-O 3.28Å; T1476-S1698 WeakPolarHBondContact CG2-O 3.48Å; K1694-S1698 VanDerWaalsContact O-CB 3.27Å; K1694-S1698 WeakPolarHBondContact O-CB 3.12Å; K1694-S1698 PolarHBondContact O-N 3.06Å; K1694-S1698 PolarHBondContact O-OG 3.27Å; L1695-S1698 CarbonylContact O-C 3.26Å; L1695-S1698 WeakPolarHBondContact O-CA 3.41Å; L1695-S1698 WeakPolarHBondContact O-CB 3.14Å; L1695-S1698 PolarHBondContact O-N 3.3Å; L1695-S1698 VanDerWaalsContact O-N 3.08Å; I1696-S1698 VanDerWaalsContact C-N 3.3Å; I1696-S1698 PolarHBondContact O-N 2.9Å; S1698-S1701 PolarHBondContact O-OG 2.94Å; S1698-S1701 VanDerWaalsContact O-OG 3.11Å; S1698-V1702 WeakPolarHBondContact O-CG2 3.49Å
1699L84.3Confident85.2Confident4 Ų428 Ų282%0.02115%0.154CC..Hα-helixtrans-69.3-41.7172.9-87.680.3000110.8T1476 I1590 F1596 L1695 I1696 S1701 V1702 H1703 M1707T1476-L1699 HydrophobicContact CG2-CB 4.37Å; T1476-L1699 HydrophobicContact CG2-CD1 3.87Å; T1476-L1699 HydrophobicContact CG2-CG 3.91Å; I1590-L1699 HydrophobicContact CG2-CD2 4.45Å; F1596-L1699 HydrophobicContact CZ-CD2 4.34Å; L1695-L1699 HydrophobicContact CD1-CD1 3.4Å; L1695-L1699 HydrophobicContact CG-CD1 3.82Å; L1695-L1699 WeakPolarHBondContact O-CD1 3.41Å; L1695-L1699 PolarHBondContact O-N 2.7Å; I1696-L1699 PolarHBondContact O-N 3.12Å; I1696-L1699 VanDerWaalsContact O-N 3.15Å; L1699-S1701 VanDerWaalsContact C-N 3.3Å; L1699-S1701 PolarHBondContact O-N 3.32Å; L1699-V1702 PolarHBondContact O-N 3.03Å; L1699-V1702 VanDerWaalsContact O-N 3.07Å; L1699-H1703 PolarHBondContact O-N 2.72Å; L1699-M1707 HydrophobicContact CB-CE 3.77Å; L1699-M1707 HydrophobicContact CB-CG 3.94Å; L1699-M1707 HydrophobicContact CB-SD 3.56Å; L1699-M1707 VanDerWaalsContact CB-SD 3.56Å; L1699-M1707 HydrophobicContact CD2-CE 4.41Å; L1699-M1707 HydrophobicContact CD2-SD 3.76Å; L1699-M1707 HydrophobicContact CG-SD 4.31Å
1700A83.1Confident84.6Confident8 Ų829.7 Ų29.77%0.06616%0.163CC..Hα-helixtrans-59.9-39.717900000112.3I1696 N1697 V1702 H1703 Q1704 M1707 Y1887I1696-A1700 PolarHBondContact O-N 3.29Å; N1697-A1700 PolarHBondContact O-N 2.89Å; A1700-V1702 PolarHBondContact O-N 3.08Å; A1700-H1703 CarbonylContact O-C 3.57Å; A1700-H1703 PolarHBondContact O-N 3.25Å; A1700-Q1704 PolarHBondContact O-N 2.99Å; A1700-M1707 HydrophobicContact CB-CB 4.38Å; A1700-M1707 HydrophobicContact CB-CG 4.49Å; A1700-Y1887 HydrophobicContact CB-CD1 4.15Å; A1700-Y1887 HydrophobicContact CB-CD2 4.15Å; A1700-Y1887 HydrophobicContact CB-CG 3.79Å
1701S79.9Confident83.8Confident55 Ų5529.4 Ų29.439%0.38516%0.162SC..THydrogen-bonded Turntrans-71.8-9.2176.567.90000115.1N1697 S1698 L1699N1697-S1701 PolarHBondContact O-N 2.7Å; N1697-S1701 VanDerWaalsContact O-N 3.15Å; S1698-S1701 PolarHBondContact O-OG 2.94Å; S1698-S1701 VanDerWaalsContact O-OG 3.11Å; L1699-S1701 VanDerWaalsContact C-N 3.3Å; L1699-S1701 PolarHBondContact O-N 3.32Å
1702V76.4Confident83Confident15 Ų1528.2 Ų28.29%0.09116%0.161CC..THydrogen-bonded Turntrans-88-39.8171.5178.70000111.6T1476 L1587 S1698 L1699 A1700T1476-V1702 HydrophobicContact CG2-CG2 3.63Å; T1476-V1702 WeakPolarHBondContact O-CG2 3.45Å; L1587-V1702 HydrophobicContact CD1-CG1 4.43Å; S1698-V1702 WeakPolarHBondContact O-CG2 3.49Å; L1699-V1702 PolarHBondContact O-N 3.03Å; L1699-V1702 VanDerWaalsContact O-N 3.07Å; A1700-V1702 PolarHBondContact O-N 3.08Å
1703H77.4Confident82.3Confident57 Ų5729.7 Ų29.726%0.26418%0.177SC..  trans-159.8101.9176.5-164.8-21.1000110.4L1587 L1699 A1700 T1706 M1707L1587-H1703 HydrophobicContact CD2-CB 3.26Å; L1699-H1703 PolarHBondContact O-N 2.72Å; A1700-H1703 CarbonylContact O-C 3.57Å; A1700-H1703 PolarHBondContact O-N 3.25Å; H1703-T1706 PolarHBondContact CD2-OG1 3.04Å; H1703-T1706 VanDerWaalsContact CD2-OG1 3.27Å; H1703-T1706 PolarHBondContact NE2-OG1 3.37Å; H1703-M1707 PolarHBondContact O-N 3.02Å
1704Q82.8Confident81.5Confident54 Ų5438 Ų3825%0.25222%0.216SC..Hα-helixtrans-57.7-54.7-176.4-175.3175.7-66.700112.3A1700 T1706 M1707 Q1708 V1890A1700-Q1704 PolarHBondContact O-N 2.99Å; Q1704-T1706 PolarHBondContact O-N 3.42Å; Q1704-M1707 PolarHBondContact O-N 3.01Å; Q1704-M1707 VanDerWaalsContact O-N 3.13Å; Q1704-Q1708 HydrophobicContact CG-CG 4.32Å; Q1704-Q1708 WeakPolarHBondContact O-CG 3.24Å; Q1704-Q1708 PolarHBondContact O-N 3.42Å; Q1704-V1890 HydrophobicContact CG-CG1 4.1Å; Q1704-V1890 PolarHBondContact NE2-O 3.42Å
1705N81.4Confident80.8Confident100 Ų10041.4 Ų41.454%0.53524%0.236SC..Hα-helixtrans-58.1-48.9-173.5-47.755.5000112.5M1707 Q1708 T1709N1705-M1707 VanDerWaalsContact C-N 3.28Å; N1705-M1707 PolarHBondContact O-N 3.34Å; N1705-Q1708 WeakPolarHBondContact O-CB 3.35Å; N1705-Q1708 PolarHBondContact O-N 3.31Å; N1705-Q1708 VanDerWaalsContact O-N 3.15Å; N1705-T1709 PolarHBondContact O-N 2.82Å; N1705-T1709 PolarHBondContact O-OG1 2.9Å; N1705-T1709 VanDerWaalsContact O-OG1 3.06Å
1706T79.3Confident80.2Confident37 Ų3743.5 Ų43.523%0.22725%0.247CC..Hα-helixtrans-59.3-40.1178.5-52.60000111.9L1587 H1703 Q1704 I1710L1587-T1706 HydrophobicContact CD2-CG2 4.32Å; H1703-T1706 PolarHBondContact CD2-OG1 3.04Å; H1703-T1706 VanDerWaalsContact CD2-OG1 3.27Å; H1703-T1706 PolarHBondContact NE2-OG1 3.37Å; Q1704-T1706 PolarHBondContact O-N 3.42Å; T1706-I1710 HydrophobicContact CG2-CD1 3.86Å; T1706-I1710 WeakPolarHBondContact O-CD1 3.29Å; T1706-I1710 VanDerWaalsContact O-CG1 3.24Å; T1706-I1710 WeakPolarHBondContact O-CG1 3.21Å; T1706-I1710 PolarHBondContact O-N 3.14Å; T1706-I1710 VanDerWaalsContact O-N 3.11Å
1707M81.6Confident79.7Confident4 Ų443.9 Ų43.92%0.0225%0.251CS..Hα-helixtrans-70-39176.1-77.8-64.6-65.800112.4F1596 I1696 L1699 A1700 H1703 Q1704 N1705 I1710 L1711F1596-M1707 HydrophobicContact CE1-CE 4Å; F1596-M1707 HydrophobicContact CE1-SD 3.94Å; F1596-M1707 HydrophobicContact CZ-CE 4.28Å; F1596-M1707 HydrophobicContact CZ-SD 3.61Å; I1696-M1707 HydrophobicContact CG2-CE 4.05Å; L1699-M1707 HydrophobicContact CB-CE 3.77Å; L1699-M1707 HydrophobicContact CB-CG 3.94Å; L1699-M1707 HydrophobicContact CB-SD 3.56Å; L1699-M1707 VanDerWaalsContact CB-SD 3.56Å; L1699-M1707 HydrophobicContact CD2-CE 4.41Å; L1699-M1707 HydrophobicContact CD2-SD 3.76Å; L1699-M1707 HydrophobicContact CG-SD 4.31Å; A1700-M1707 HydrophobicContact CB-CB 4.38Å; A1700-M1707 HydrophobicContact CB-CG 4.49Å; H1703-M1707 PolarHBondContact O-N 3.02Å; Q1704-M1707 PolarHBondContact O-N 3.01Å; Q1704-M1707 VanDerWaalsContact O-N 3.13Å; N1705-M1707 VanDerWaalsContact C-N 3.28Å; N1705-M1707 PolarHBondContact O-N 3.34Å; M1707-I1710 PolarHBondContact O-N 3.46Å; M1707-L1711 HydrophobicContact CE-CD1 3.93Å; M1707-L1711 HydrophobicContact CE-CD2 4.43Å; M1707-L1711 HydrophobicContact CE-CG 4.15Å; M1707-L1711 VanDerWaalsContact O-CB 3.32Å; M1707-L1711 WeakPolarHBondContact O-CB 3.43Å; M1707-L1711 VanDerWaalsContact O-CG 3.29Å; M1707-L1711 WeakPolarHBondContact O-CG 3.22Å; M1707-L1711 PolarHBondContact O-N 3.02Å
1708Q84.9Confident79.3Confident6 Ų647.7 Ų47.73%0.02827%0.27CS..Hα-helixtrans-62.2-41173.8-72.8179.5-13.600112.1Q1704 N1705 G1712 Y1887 L1888 V1890 N1892 N1895Q1704-Q1708 HydrophobicContact CG-CG 4.32Å; Q1704-Q1708 WeakPolarHBondContact O-CG 3.24Å; Q1704-Q1708 PolarHBondContact O-N 3.42Å; N1705-Q1708 WeakPolarHBondContact O-CB 3.35Å; N1705-Q1708 PolarHBondContact O-N 3.31Å; N1705-Q1708 VanDerWaalsContact O-N 3.15Å; Q1708-G1712 WeakPolarHBondContact O-CA 3.42Å; Q1708-G1712 PolarHBondContact O-N 3.43Å; Q1708-Y1887 PolarHBondContact NE2-O 3.42Å; Q1708-L1888 WeakPolarHBondContact CG-O 3.45Å; Q1708-L1888 PolarHBondContact NE2-O 3.24Å; Q1708-V1890 PolarHBondContact NE2-O 3.04Å; Q1708-N1892 PolarHBondContact OE1-ND2 2.92Å; Q1708-N1895 PolarHBondContact O-ND2 2.74Å
1709T80.4Confident79.2Confident104 Ų10448.7 Ų48.764%0.63828%0.276SS*.Hα-helixtrans-65.1-42.5175.6-52.10000112.2N1705 G1713N1705-T1709 PolarHBondContact O-N 2.82Å; N1705-T1709 PolarHBondContact O-OG1 2.9Å; N1705-T1709 VanDerWaalsContact O-OG1 3.06Å; T1709-G1713 PolarHBondContact O-N 3.19Å; T1709-G1713 VanDerWaalsContact O-N 3.15Å
1710I76Confident79.3Confident36 Ų3648.8 Ų48.819%0.18528%0.276CS..Hα-helixtrans-74.5-42.2-177.6-62.1161.6000111.5S1591 F1596 T1706 M1707 G1712 I1716S1591-I1710 WeakPolarHBondContact OG-CD1 3.43Å; F1596-I1710 HydrophobicContact CD1-CG2 3.78Å; F1596-I1710 HydrophobicContact CD2-CG2 3.91Å; F1596-I1710 HydrophobicContact CE1-CB 4.31Å; F1596-I1710 HydrophobicContact CE1-CG2 3.58Å; F1596-I1710 HydrophobicContact CE2-CD1 3.83Å; F1596-I1710 HydrophobicContact CE2-CG2 3.73Å; F1596-I1710 HydrophobicContact CG-CG2 3.95Å; F1596-I1710 HydrophobicContact CZ-CB 4.1Å; F1596-I1710 HydrophobicContact CZ-CD1 3.8Å; F1596-I1710 HydrophobicContact CZ-CG2 3.55Å; T1706-I1710 HydrophobicContact CG2-CD1 3.86Å; T1706-I1710 WeakPolarHBondContact O-CD1 3.29Å; T1706-I1710 VanDerWaalsContact O-CG1 3.24Å; T1706-I1710 WeakPolarHBondContact O-CG1 3.21Å; T1706-I1710 PolarHBondContact O-N 3.14Å; T1706-I1710 VanDerWaalsContact O-N 3.11Å; M1707-I1710 PolarHBondContact O-N 3.46Å; I1710-G1712 VanDerWaalsContact C-N 3.34Å; I1710-I1716 HydrophobicContact CG2-CD1 4.05Å
1711L77.1Confident79.3Confident9 Ų950.2 Ų50.25%0.04728%0.279CS..Hα-helixtrans-74.4-24.5176.9-61-176.3000112.5F1596 I1696 M1707 I1716 C1717 M1720 L1888F1596-L1711 HydrophobicContact CD1-CD2 4.23Å; F1596-L1711 HydrophobicContact CE1-CD2 3.99Å; I1696-L1711 HydrophobicContact CG2-CD1 4.06Å; M1707-L1711 HydrophobicContact CE-CD1 3.93Å; M1707-L1711 HydrophobicContact CE-CD2 4.43Å; M1707-L1711 HydrophobicContact CE-CG 4.15Å; M1707-L1711 VanDerWaalsContact O-CB 3.32Å; M1707-L1711 WeakPolarHBondContact O-CB 3.43Å; M1707-L1711 VanDerWaalsContact O-CG 3.29Å; M1707-L1711 WeakPolarHBondContact O-CG 3.22Å; M1707-L1711 PolarHBondContact O-N 3.02Å; L1711-I1716 HydrophobicContact CD2-CG2 4.05Å; L1711-C1717 WeakPolarHBondContact O-CA 3.49Å; L1711-C1717 VanDerWaalsContact O-CB 3.22Å; L1711-C1717 WeakPolarHBondContact O-CB 3.43Å; L1711-C1717 PolarHBondContact O-N 3.02Å; L1711-C1717 VanDerWaalsContact O-N 3.15Å; L1711-M1720 HydrophobicContact CD2-CG 4.07Å; L1711-M1720 HydrophobicContact CD2-SD 4.42Å; L1711-L1888 HydrophobicContact CB-CD1 3.75Å; L1711-L1888 HydrophobicContact CD1-CD1 4.42Å
1712G72.9Confident79.5Confident26 Ų2651.9 Ų51.927%0.26828%0.281SS..Hα-helixtrans-81.8-15.3174.500000114.7Q1708 I1710 E1714Q1708-G1712 WeakPolarHBondContact O-CA 3.42Å; Q1708-G1712 PolarHBondContact O-N 3.43Å; I1710-G1712 VanDerWaalsContact C-N 3.34Å; G1712-E1714 PolarHBondContact O-N 3.15Å
1713G76.3Confident80.1Confident34 Ų3451.2 Ų51.235%0.35128%0.277SS..SBendtrans-60.5129175.800000112T1709 L1715 I1716 C1717T1709-G1713 PolarHBondContact O-N 3.19Å; T1709-G1713 VanDerWaalsContact O-N 3.15Å; G1713-L1715 PolarHBondContact O-N 3.24Å; G1713-I1716 PolarHBondContact O-N 3.08Å; G1713-C1717 PolarHBondContact O-N 2.95Å
1714E74.2Confident80.6Confident174 Ų17448.6 Ų48.681%0.81327%0.265SS*.Hα-helixtrans-32.9-62.1-162.8-61.5179.3172.700115.4G1712 C1717 L1718G1712-E1714 PolarHBondContact O-N 3.15Å; E1714-C1717 PolarHBondContact O-N 3.2Å; E1714-L1718 VanDerWaalsContact O-CG 3.28Å; E1714-L1718 WeakPolarHBondContact O-CG 3.43Å; E1714-L1718 PolarHBondContact O-N 3.1Å
1715L76.8Confident80.7Confident126 Ų12647.4 Ų47.466%0.6626%0.26SS*.Hα-helixtrans-65-42.6-177.5179.360.9000112.9G1713 L1719G1713-L1715 PolarHBondContact O-N 3.24Å; L1715-L1719 HydrophobicContact CD1-CD1 4.41Å; L1715-L1719 HydrophobicContact CG-CD1 4.31Å; L1715-L1719 VanDerWaalsContact O-CG 3.29Å; L1715-L1719 WeakPolarHBondContact O-CG 3.38Å; L1715-L1719 PolarHBondContact O-N 3.47Å; L1715-L1719 VanDerWaalsContact O-N 3.16Å
1716I77.3Confident80.9Confident47 Ų4745.5 Ų45.524%0.24125%0.25CC..Hα-helixtrans-70.6-38.1-178.8-58.5179.9000109.9V1599 I1710 L1711 G1713 L1719 M1720V1599-I1716 HydrophobicContact CG1-CG2 4.44Å; I1710-I1716 HydrophobicContact CG2-CD1 4.05Å; L1711-I1716 HydrophobicContact CD2-CG2 4.05Å; G1713-I1716 PolarHBondContact O-N 3.08Å; I1716-L1719 PolarHBondContact O-N 2.91Å; I1716-M1720 HydrophobicContact CG2-CG 4.25Å; I1716-M1720 WeakPolarHBondContact O-CB 3.41Å; I1716-M1720 WeakPolarHBondContact O-CG 3.39Å; I1716-M1720 PolarHBondContact O-N 2.88Å
1717C78.8Confident81.4Confident21 Ų2143.7 Ų43.714%0.14224%0.239CC..Hα-helixtrans-62-45175.8-1720000111.9L1711 G1713 E1714 M1720 R1721L1711-C1717 WeakPolarHBondContact O-CA 3.49Å; L1711-C1717 VanDerWaalsContact O-CB 3.22Å; L1711-C1717 WeakPolarHBondContact O-CB 3.43Å; L1711-C1717 PolarHBondContact O-N 3.02Å; L1711-C1717 VanDerWaalsContact O-N 3.15Å; G1713-C1717 PolarHBondContact O-N 2.95Å; E1714-C1717 PolarHBondContact O-N 3.2Å; C1717-M1720 PolarHBondContact O-N 3.38Å; C1717-R1721 VanDerWaalsContact O-CB 3.25Å; C1717-R1721 WeakPolarHBondContact O-CB 3.37Å; C1717-R1721 PolarHBondContact O-N 3.3Å
1718L78.7Confident81.6Confident81 Ų8143.7 Ų43.742%0.42424%0.239SC..Hα-helixtrans-60.8-46.9176.5-70.4170.7000111.7E1714 H1722E1714-L1718 VanDerWaalsContact O-CG 3.28Å; E1714-L1718 WeakPolarHBondContact O-CG 3.43Å; E1714-L1718 PolarHBondContact O-N 3.1Å; L1718-H1722 VanDerWaalsContact O-CG 3.24Å; L1718-H1722 PolarHBondContact O-N 2.97Å
1719L84.1Confident81.5Confident25 Ų2545.8 Ų45.813%0.13125%0.252CS..Hα-helixtrans-61.4-49176.7-68.6170.5000111.8V1599 P1600 Y1603 L1715 I1716 H1722 I1723V1599-L1719 HydrophobicContact CG1-CB 4.02Å; P1600-L1719 HydrophobicContact CG-CD1 4.3Å; Y1603-L1719 HydrophobicContact CD1-CD2 3.36Å; Y1603-L1719 HydrophobicContact CD2-CD2 4.05Å; Y1603-L1719 HydrophobicContact CE1-CD2 3.54Å; Y1603-L1719 HydrophobicContact CE2-CD2 4.23Å; Y1603-L1719 HydrophobicContact CG-CD2 3.62Å; L1715-L1719 HydrophobicContact CD1-CD1 4.41Å; L1715-L1719 HydrophobicContact CG-CD1 4.31Å; L1715-L1719 VanDerWaalsContact O-CG 3.29Å; L1715-L1719 WeakPolarHBondContact O-CG 3.38Å; L1715-L1719 PolarHBondContact O-N 3.47Å; L1715-L1719 VanDerWaalsContact O-N 3.16Å; I1716-L1719 PolarHBondContact O-N 2.91Å; L1719-H1722 PolarHBondContact O-N 3.23Å; L1719-I1723 VanDerWaalsContact O-CG1 3.32Å; L1719-I1723 WeakPolarHBondContact O-CG1 3.27Å; L1719-I1723 PolarHBondContact O-N 3.23Å
1720M85.5Confident81.6Confident6 Ų641.6 Ų41.63%0.0323%0.225CC..Hα-helixtrans-61.5-45.4178.5-78-61.6-63.900112.1V1599 I1696 L1711 I1716 C1717 H1722 I1723 L1724V1599-M1720 HydrophobicContact CB-SD 4.41Å; V1599-M1720 HydrophobicContact CG1-CG 3.96Å; V1599-M1720 HydrophobicContact CG1-SD 3.74Å; V1599-M1720 HydrophobicContact CG2-SD 3.75Å; I1696-M1720 HydrophobicContact CD1-CE 4.35Å; I1696-M1720 HydrophobicContact CD1-SD 4.43Å; L1711-M1720 HydrophobicContact CD2-CG 4.07Å; L1711-M1720 HydrophobicContact CD2-SD 4.42Å; I1716-M1720 HydrophobicContact CG2-CG 4.25Å; I1716-M1720 WeakPolarHBondContact O-CB 3.41Å; I1716-M1720 WeakPolarHBondContact O-CG 3.39Å; I1716-M1720 PolarHBondContact O-N 2.88Å; C1717-M1720 PolarHBondContact O-N 3.38Å; M1720-H1722 VanDerWaalsContact C-N 3.29Å; M1720-H1722 PolarHBondContact O-N 2.69Å; M1720-I1723 PolarHBondContact O-N 2.92Å; M1720-I1723 HydrophobicContact SD-CD1 4.34Å; M1720-L1724 HydrophobicContact CE-CD1 4.38Å; M1720-L1724 WeakPolarHBondContact O-CB 3.25Å; M1720-L1724 VanDerWaalsContact O-CG 3.22Å; M1720-L1724 WeakPolarHBondContact O-CG 3.26Å; M1720-L1724 PolarHBondContact O-N 2.85Å
1721R82.7Confident81.9Confident37 Ų3740 Ų4014%0.1422%0.217CC..Hα-helixtrans-58.8-42.2175.8-173.5-167.862.2-176-9111.1C1717 I1725 C1901C1717-R1721 VanDerWaalsContact O-CB 3.25Å; C1717-R1721 WeakPolarHBondContact O-CB 3.37Å; C1717-R1721 PolarHBondContact O-N 3.3Å; R1721-I1725 HydrophobicContact CG-CD1 3.87Å; R1721-I1725 WeakPolarHBondContact O-CB 3.31Å; R1721-I1725 VanDerWaalsContact O-CG1 3.25Å; R1721-I1725 WeakPolarHBondContact O-CG1 3.37Å; R1721-I1725 PolarHBondContact O-N 2.87Å; R1721-C1901 WeakPolarHBondContact CD-O 3.17Å; R1721-C1901 PolarHBondContact NH1-O 3.08Å
1722H84.4Confident81.8Confident91 Ų9140.9 Ų40.942%0.42122%0.222SC..Hα-helixtrans-68.2-38177.2-67.8175.3000112.9Y1603 L1718 L1719 M1720 N1726Y1603-H1722 HydrophobicContact CD2-CB 4.45Å; Y1603-H1722 HydrophobicContact CE2-CB 3.83Å; L1718-H1722 VanDerWaalsContact O-CG 3.24Å; L1718-H1722 PolarHBondContact O-N 2.97Å; L1719-H1722 PolarHBondContact O-N 3.23Å; M1720-H1722 VanDerWaalsContact C-N 3.29Å; M1720-H1722 PolarHBondContact O-N 2.69Å; H1722-N1726 WeakPolarHBondContact O-CB 3.43Å; H1722-N1726 PolarHBondContact O-N 2.8Å; H1722-N1726 PolarHBondContact O-ND2 3.01Å
1723I88.3Confident81.2Confident1 Ų143.7 Ų43.71%0.00524%0.236CC..Hα-helixtrans-60.2-53.9171.5-70.5164.3000110.3V1599 L1602 Y1603 L1606 L1719 M1720 I1725 N1726 L1727V1599-I1723 HydrophobicContact CG1-CD1 3.97Å; L1602-I1723 HydrophobicContact CB-CD1 4.29Å; L1602-I1723 HydrophobicContact CD2-CD1 4.34Å; L1602-I1723 HydrophobicContact CD2-CG2 3.94Å; L1602-I1723 HydrophobicContact CG-CD1 4.24Å; L1602-I1723 HydrophobicContact CG-CG2 4.3Å; Y1603-I1723 HydrophobicContact CD2-CG1 4.19Å; L1606-I1723 HydrophobicContact CD1-CB 4.49Å; L1606-I1723 HydrophobicContact CD1-CG1 4.37Å; L1606-I1723 HydrophobicContact CD1-CG2 3.9Å; L1719-I1723 VanDerWaalsContact O-CG1 3.32Å; L1719-I1723 WeakPolarHBondContact O-CG1 3.27Å; L1719-I1723 PolarHBondContact O-N 3.23Å; M1720-I1723 PolarHBondContact O-N 2.92Å; M1720-I1723 HydrophobicContact SD-CD1 4.34Å; I1723-I1725 PolarHBondContact O-N 2.78Å; I1723-N1726 PolarHBondContact O-N 3.13Å; I1723-L1727 HydrophobicContact CG2-CD1 3.7Å; I1723-L1727 HydrophobicContact CG2-CG 4.3Å; I1723-L1727 WeakPolarHBondContact O-CG 3.32Å; I1723-L1727 PolarHBondContact O-N 3.45Å
1724L89Confident79.8Confident1 Ų148.8 Ų48.81%0.00525%0.251CS..Hα-helixtrans-63.2-43.1-175.5-65.5165.3000111.7M1720 N1726 L1727 L1728 V1881 C1884 I1885 L1907M1720-L1724 HydrophobicContact CE-CD1 4.38Å; M1720-L1724 WeakPolarHBondContact O-CB 3.25Å; M1720-L1724 VanDerWaalsContact O-CG 3.22Å; M1720-L1724 WeakPolarHBondContact O-CG 3.26Å; M1720-L1724 PolarHBondContact O-N 2.85Å; L1724-N1726 PolarHBondContact O-N 3.23Å; L1724-L1727 PolarHBondContact O-N 3.24Å; L1724-L1728 WeakPolarHBondContact O-CG 3.13Å; L1724-L1728 PolarHBondContact O-N 2.98Å; L1724-V1881 HydrophobicContact CD2-CB 4.44Å; L1724-V1881 HydrophobicContact CD2-CG1 3.9Å; L1724-V1881 HydrophobicContact CD2-CG2 4.32Å; L1724-C1884 HydrophobicContact CD2-CB 4.32Å; L1724-I1885 HydrophobicContact CD1-CG1 4.04Å; L1724-I1885 HydrophobicContact CD2-CG1 4.24Å; L1724-L1907 HydrophobicContact CB-CD1 4.3Å; L1724-L1907 HydrophobicContact CB-CD2 4.38Å; L1724-L1907 HydrophobicContact CD1-CD2 4.43Å
1725I85.7Confident78Confident30 Ų3045.5 Ų45.515%0.15425%0.247CC..Hα-helixtrans-63.1-41.1174.8-69.2172.6000111.6R1721 I1723 T1729 L1907R1721-I1725 HydrophobicContact CG-CD1 3.87Å; R1721-I1725 WeakPolarHBondContact O-CB 3.31Å; R1721-I1725 VanDerWaalsContact O-CG1 3.25Å; R1721-I1725 WeakPolarHBondContact O-CG1 3.37Å; R1721-I1725 PolarHBondContact O-N 2.87Å; I1723-I1725 PolarHBondContact O-N 2.78Å; I1725-T1729 VanDerWaalsContact O-CB 3.31Å; I1725-T1729 WeakPolarHBondContact O-CB 3.37Å; I1725-T1729 PolarHBondContact O-N 2.9Å; I1725-T1729 PolarHBondContact O-OG1 3.4Å; I1725-L1907 HydrophobicContact CG1-CB 4.32Å; I1725-L1907 HydrophobicContact CG1-CD1 3.96Å
1726N84.4Confident75.7Confident59 Ų5946.5 Ų46.532%0.31625%0.248SC..Hα-helixtrans-63.4-46.3175.7-93.4-84.9000111.7H1722 I1723 L1724 T1729 R1730H1722-N1726 WeakPolarHBondContact O-CB 3.43Å; H1722-N1726 PolarHBondContact O-N 2.8Å; H1722-N1726 PolarHBondContact O-ND2 3.01Å; I1723-N1726 PolarHBondContact O-N 3.13Å; L1724-N1726 PolarHBondContact O-N 3.23Å; N1726-T1729 PolarHBondContact O-N 3.49Å; N1726-R1730 WeakPolarHBondContact O-CG 3.08Å; N1726-R1730 PolarHBondContact O-N 2.72Å; N1726-R1730 PolarHBondContact OD1-NH2 3.26Å
1727L89.9Confident73.2Confident0 Ų050 Ų500%027%0.272CS..Hα-helixtrans-66.9-42.4-177.8-68.2176.5000112L1606 F1680 T1689 L1693 I1723 L1724 T1729 R1730 C1731 I1877 V1881L1606-L1727 HydrophobicContact CD1-CD1 4.3Å; L1606-L1727 HydrophobicContact CD1-CD2 3.86Å; L1606-L1727 HydrophobicContact CD1-CG 4Å; L1606-L1727 HydrophobicContact CD2-CD2 3.9Å; F1680-L1727 HydrophobicContact CE1-CD2 3.95Å; F1680-L1727 HydrophobicContact CZ-CD2 3.82Å; T1689-L1727 HydrophobicContact CG2-CD1 3.84Å; T1689-L1727 HydrophobicContact CG2-CD2 3.79Å; L1693-L1727 HydrophobicContact CD1-CD1 4.09Å; I1723-L1727 HydrophobicContact CG2-CD1 3.7Å; I1723-L1727 HydrophobicContact CG2-CG 4.3Å; I1723-L1727 WeakPolarHBondContact O-CG 3.32Å; I1723-L1727 PolarHBondContact O-N 3.45Å; L1724-L1727 PolarHBondContact O-N 3.24Å; L1727-T1729 VanDerWaalsContact C-N 3.34Å; L1727-T1729 PolarHBondContact O-N 3.47Å; L1727-R1730 PolarHBondContact O-N 2.7Å; L1727-C1731 VanDerWaalsContact O-CB 3.28Å; L1727-C1731 WeakPolarHBondContact O-CB 3.38Å; L1727-C1731 PolarHBondContact O-N 2.71Å; L1727-C1731 PolarHBondContact O-SG 2.79Å; L1727-I1877 HydrophobicContact CD1-CG2 4.45Å; L1727-I1877 HydrophobicContact CD2-CG2 4.31Å; L1727-V1881 HydrophobicContact CB-CG2 3.87Å; L1727-V1881 HydrophobicContact CD1-CG2 3.76Å; L1727-V1881 HydrophobicContact CG-CG2 4.48Å
1728L86.7Confident70.5Confident3 Ų355 Ų552%0.01631%0.306CS..Hα-helixtrans-59.9-44.3171.4-69.2179.1000111.5L1724 R1730 V1732 L1878 V1881 I1885 L1907 R1910 L1911L1724-L1728 WeakPolarHBondContact O-CG 3.13Å; L1724-L1728 PolarHBondContact O-N 2.98Å; L1728-R1730 VanDerWaalsContact C-N 3.28Å; L1728-R1730 PolarHBondContact O-N 2.82Å; L1728-V1732 WeakPolarHBondContact O-CB 3.25Å; L1728-V1732 VanDerWaalsContact O-CG2 3.27Å; L1728-V1732 WeakPolarHBondContact O-CG2 3.1Å; L1728-V1732 PolarHBondContact O-N 2.78Å; L1728-L1878 HydrophobicContact CD2-CD1 3.48Å; L1728-L1878 VanDerWaalsContact CD2-CD1 3.48Å; L1728-V1881 HydrophobicContact CD2-CG1 3.63Å; L1728-V1881 HydrophobicContact CG-CG1 3.86Å; L1728-I1885 HydrophobicContact CD1-CD1 4.15Å; L1728-L1907 HydrophobicContact CD1-CD1 3.57Å; L1728-R1910 HydrophobicContact CB-CG 4.41Å; L1728-R1910 HydrophobicContact CD1-CB 3.86Å; L1728-R1910 HydrophobicContact CD1-CG 4.47Å; L1728-L1911 HydrophobicContact CD1-CD2 4.16Å; L1728-L1911 HydrophobicContact CD1-CG 4.36Å; L1728-L1911 HydrophobicContact CD2-CD2 4.37Å
1729T82.6Confident67.9Low51 Ų5156.3 Ų56.331%0.31332%0.322SS..Hα-helixtrans-66.7-27.2-179.5-54.90000113I1725 N1726 L1727 R1910I1725-T1729 VanDerWaalsContact O-CB 3.31Å; I1725-T1729 WeakPolarHBondContact O-CB 3.37Å; I1725-T1729 PolarHBondContact O-N 2.9Å; I1725-T1729 PolarHBondContact O-OG1 3.4Å; N1726-T1729 PolarHBondContact O-N 3.49Å; L1727-T1729 VanDerWaalsContact C-N 3.34Å; L1727-T1729 PolarHBondContact O-N 3.47Å; T1729-R1910 PolarHBondContact OG1-NH2 2.72Å; T1729-R1910 VanDerWaalsContact OG1-NH2 3.15Å
1730R81.5Confident64.9Low15 Ų1563 Ų636%0.05736%0.357CS..Hα-helixtrans-85.8-45.2176-69.2175.1-154.3-165.74.2112.8L1606 N1611 P1679 N1726 L1727 L1728L1606-R1730 PolarHBondContact O-NH1 3.05Å; L1606-R1730 PolarHBondContact O-NH2 2.96Å; N1611-R1730 PolarHBondContact O-NE 3.16Å; N1611-R1730 PolarHBondContact O-NH1 2.94Å; P1679-R1730 HydrophobicContact CB-CB 4.36Å; P1679-R1730 WeakPolarHBondContact CB-O 3.27Å; N1726-R1730 WeakPolarHBondContact O-CG 3.08Å; N1726-R1730 PolarHBondContact O-N 2.72Å; N1726-R1730 PolarHBondContact OD1-NH2 3.26Å; L1727-R1730 PolarHBondContact O-N 2.7Å; L1728-R1730 VanDerWaalsContact C-N 3.28Å; L1728-R1730 PolarHBondContact O-N 2.82Å
1731C81.9Confident61.8Low3 Ų371.4 Ų71.42%0.0240%0.396CS..Hα-helixtrans-80.8-15.7-169.7-57.40000114.2L1727 P1733 T1874 L1878L1727-C1731 VanDerWaalsContact O-CB 3.28Å; L1727-C1731 WeakPolarHBondContact O-CB 3.38Å; L1727-C1731 PolarHBondContact O-N 2.71Å; L1727-C1731 PolarHBondContact O-SG 2.79Å; C1731-P1733 WeakPolarHBondContact O-CD 3.48Å; C1731-T1874 HydrophobicContact CB-CG2 3.66Å; C1731-L1878 HydrophobicContact CB-CB 4.06Å; C1731-L1878 HydrophobicContact CB-CD1 4.36Å; C1731-L1878 HydrophobicContact CB-CD2 4.43Å
1732V76.4Confident59Low27 Ų2778.6 Ų78.616%0.16443%0.431CS..SBendtrans-80.5120.6177.5172.80000111.4R1613 L1728 L1878 L1914 P1915R1613-V1732 PolarHBondContact NH1-O 3.07Å; L1728-V1732 WeakPolarHBondContact O-CB 3.25Å; L1728-V1732 VanDerWaalsContact O-CG2 3.27Å; L1728-V1732 WeakPolarHBondContact O-CG2 3.1Å; L1728-V1732 PolarHBondContact O-N 2.78Å; V1732-L1878 HydrophobicContact CG2-CD2 4.43Å; V1732-L1914 HydrophobicContact CG2-CD2 3.67Å; V1732-P1915 HydrophobicContact CG1-CG 4.26Å
1733P59.8Low56Low85 Ų8581 Ų8155%0.55245%0.446SS*.PPolyproline II helixtrans-66.1136.3172.7-18.532.5000111.2C1731C1731-P1733 WeakPolarHBondContact O-CD 3.48Å
1734Q46.9Very low52.9Low141 Ų14188 Ų8866%0.65948%0.483SS*.PPolyproline II helixtrans-89.6119.3168.1-78.3177.3-21.600109.2Q1736Q1734-Q1736 PolarHBondContact O-N 2.91Å; Q1734-Q1736 VanDerWaalsContact O-N 3.15Å
1735S37.5Very low49.7Very low105 Ų10592.2 Ų92.273%0.73451%0.513SS*.  trans-65.5109.4170.654.60000110.1T1737S1735-T1737 PolarHBondContact O-N 2.87Å
1736Q27.8Very low46.7Very low147 Ų14798.3 Ų98.369%0.68755%0.546SS*.  trans-68.483.6-175.3-67179.47.800112.7D1676 Q1734 C1738D1676-Q1736 PolarHBondContact OD1-NE2 3.46Å; D1676-Q1736 VanDerWaalsContact OD1-NE2 3.07Å; Q1734-Q1736 PolarHBondContact O-N 2.91Å; Q1734-Q1736 VanDerWaalsContact O-N 3.15Å; Q1736-C1738 PolarHBondContact O-N 3.15Å; Q1736-C1738 VanDerWaalsContact O-N 3.12Å
1737T24.7Very low43.7Very low120 Ų120105.3 Ų105.374%0.73657%0.573SS**  trans-79.286.6167.354.60000109.9S1735 S1739S1735-T1737 PolarHBondContact O-N 2.87Å; T1737-S1739 VanDerWaalsContact C-N 3.33Å; T1737-S1739 PolarHBondContact O-N 3.43Å
1738C21.2Very low40.6Very low127 Ų127111.7 Ų111.786%0.85861%0.612SS**  trans-66.387.6174.9-118.70000111Q1736 L1740Q1736-C1738 PolarHBondContact O-N 3.15Å; Q1736-C1738 VanDerWaalsContact O-N 3.12Å; C1738-L1740 PolarHBondContact O-N 3.36Å; C1738-L1740 VanDerWaalsContact O-N 3.16Å
1739S24.5Very low37.5Very low109 Ų109117.3 Ų117.376%0.76265%0.649SS**  trans-74.1101.6179.346.40000110.9T1737 Q1741T1737-S1739 VanDerWaalsContact C-N 3.33Å; T1737-S1739 PolarHBondContact O-N 3.43Å; S1739-Q1741 PolarHBondContact O-N 3.09Å
1740L22.2Very low34.8Very low166 Ų166123 Ų12387%0.86968%0.676SS**  trans-54.4126.9173.4-83163.7000111.2C1738 Q1742C1738-L1740 PolarHBondContact O-N 3.36Å; C1738-L1740 VanDerWaalsContact O-N 3.16Å; L1740-Q1742 PolarHBondContact O-N 2.83Å
1741Q20.5Very low32Very low182 Ų182130.7 Ų130.785%0.8571%0.712SS**  trans-65.6104.3176.9-68.1174.9-15.600110.8S1739S1739-Q1741 PolarHBondContact O-N 3.09Å
1742Q24.3Very low29.4Very low187 Ų187138.8 Ų138.887%0.87475%0.749SS**  trans-106.992.7161.5-76.2-160.9-2800110.3L1740 N1744L1740-Q1742 PolarHBondContact O-N 2.83Å; Q1742-N1744 PolarHBondContact O-N 2.81Å
1743I19.9Very low27Very low143 Ų143142.6 Ų142.673%0.73378%0.775SS**  trans-70.2118.3164.7-59.4166.6000107.7
1744N23.9Very low25.2Very low146 Ų146143 Ų14378%0.78178%0.779SS**  trans-176.6145.8135.7-98.2-38000114.8Q1742Q1742-N1744 PolarHBondContact O-N 2.81Å
1745S22.7Very low24Very low91 Ų91142.4 Ų142.464%0.63679%0.785SS**  trans49.996.6153.762.20000119.4
1746D21.2Very low23.7Very low157 Ų157142.7 Ų142.784%0.8479%0.785SS**  49.292.7116.8-52.7-28.5000118.7
1747K21.6Very low23.4Very low207 Ų207147.1 Ų147.190%0.980%0.795SS**  trans-102.9109.3147.4-70.4177.5-178.6172.20109.2
1748T24.3Very low23.5Very low133 Ų133151 Ų15182%0.81681%0.805SS**  trans-96.2124.8159.741.80000109.3
1749P23Very low23.4Very low121 Ų121152.9 Ų152.979%0.78680%0.801SS**  trans-85.4149.9-174.833.5-34.8000112.2
1750I25.1Very low23.4Very low171 Ų171156 Ų15688%0.87780%0.803SS**  trans-112.9126.9160.8-65.2-179.3000108
1751H23.1Very low23.3Very low177 Ų177155.1 Ų155.182%0.81980%0.795SS**  trans-87.2143.8-174.3-144.6-87.8000110.7
1752H27.8Very low23.4Very low173 Ų173154.2 Ų154.280%0.80179%0.791SS**  trans-65.9152.9157.5-77.7-90.9000109.5
1753P25.3Very low23.2Very low107 Ų107154.9 Ų154.970%0.69579%0.787SS**  -152159.1108.238.9-22.7000116.7
1754S21.4Very low23.2Very low92 Ų92156.3 Ų156.364%0.64379%0.79SS**  trans43.3117.8144.462.30000120.5
1755T22.7Very low23.2Very low129 Ų129156.4 Ų156.479%0.79180%0.795SS**  49.3150.477.569.50000116
1756P30.4Very low23.2Very low111 Ų111155.4 Ų155.472%0.72180%0.8SS**  cis-139.1-177.8840.1-20.3000116.8
1757R21.2Very low23.1Very low240 Ų240156.2 Ų156.291%0.90680%0.803SS**  trans50.3116.3149.5-74.8174.9177.2-171.5-1.3120.6
1758Q26.5Very low23.2Very low202 Ų202156.1 Ų156.194%0.94480%0.803SS**  trans-121.5164.8140.7-77.3-171.3-18.500109.7
1759H20.2Very low23Very low166 Ų166157 Ų15777%0.76980%0.802SS**  trans-149.3103.1-156.5177.976.4000112.5
1760Q24.1Very low23Very low174 Ų174158.4 Ų158.481%0.81380%0.802SS**  trans-156.5117.6165.4-102.8154.8-31.800106.1
1761Q20.5Very low22.9Very low149 Ų149157 Ų15770%0.69680%0.797SS**  81.4145.666.1-75.2-1774.200113.6
1762Q22Very low23Very low163 Ų163155.2 Ų155.276%0.76279%0.793SS**  trans94.5106.3161.6-56.2-157.4-20.200119.9
1763Y20.3Very low22.7Very low201 Ų201154.3 Ų154.379%0.78879%0.791SS**  trans68.5107.7137.1-74.6-79.5000122.7
1764E19.1Very low22.8Very low173 Ų173156.6 Ų156.681%0.80880%0.798SS**  trans-19.2135.4141.4-52.9167132.900117.1
1765V24.5Very low22.8Very low147 Ų147160.1 Ų160.189%0.89181%0.809SS**  trans-136.2136.8143.5178.60000107.7
1766G23.5Very low23.1Very low71 Ų71157.6 Ų157.673%0.73281%0.809SS**  trans-76.8159.5-165.700000117
1767L18.6Very low22.7Very low173 Ų173164.4 Ų164.491%0.90682%0.82SS**  trans-58.8136.9175.5-63.2158.4000112.9
1768K24.1Very low22.8Very low206 Ų206158.5 Ų158.590%0.89682%0.815SS**  trans-140.4140.3148.5-75.3-161.8175.1-178.70111.1
1769L19.9Very low22.6Very low151 Ų151155.6 Ų155.679%0.79181%0.806SS**  trans-68.5153.5-177.8-7466.1000111.7
1770N23.2Very low22.8Very low150 Ų150159 Ų15980%0.80281%0.812SS**  trans-147.5102.7132.8-159.79.6000110
1771N22.3Very low22.7Very low142 Ų142158.7 Ų158.776%0.75981%0.811SS**  trans-88.3130.5173.1-75.6-3.1000108.6
1772N24.4Very low22.7Very low140 Ų140162.8 Ų162.875%0.74982%0.821SS**  trans-141.3120.6176.7-150.26.4000111.6
1773M22.3Very low22.7Very low154 Ų154164.1 Ų164.176%0.75983%0.827SS**  trans9.5122.4162.4-51.3-54.9-172.800119.5
1774N27.2Very low22.8Very low154 Ų154163 Ų16382%0.82483%0.827SS**  -178.7158.295.5-92.8-35.8000113.3
1775D22.4Very low23.1Very low166 Ų166162.7 Ų162.789%0.88883%0.831SS**  trans-67149.1-179.2-62-89000114.9
1776G28.1Very low23.1Very low77 Ų77161.6 Ų161.679%0.79482%0.82SS**  trans-158.835.2-175.800000114.7C1778G1776-C1778 PolarHBondContact O-N 3.09Å
1777R22.1Very low23.4Very low253 Ų253165 Ų16596%0.95582%0.821SS**  trans-50.8101.6-175180-160.5-172.3-168.76.7114.3
1778C23.9Very low23.9Very low117 Ų117165.2 Ų165.279%0.79182%0.817SS**  trans-163.1102.2134.9-158.60000112.8G1776G1776-C1778 PolarHBondContact O-N 3.09Å
1779N22.7Very low24Very low141 Ų141158.9 Ų158.975%0.75481%0.811SS**  trans-139.6107.2155.1-168.420.2000107.6Q1781N1779-Q1781 PolarHBondContact O-N 2.92Å
1780R23.5Very low24.6Very low238 Ų238157.9 Ų157.990%0.89881%0.811SS**  trans-90.989.6172.3-89.9-164.4176.1-1600.2108.6
1781Q22.3Very low24.9Very low167 Ų167157.3 Ų157.378%0.7881%0.808SS**  trans-72.3138.1165.1-165.5161.3-20.300108.6N1779N1779-Q1781 PolarHBondContact O-N 2.92Å
1782Y20.9Very low25.4Very low235 Ų235157.4 Ų157.492%0.92281%0.808SS**  trans-72.3141.3172.8-80.1-97000109.9
1783Q21.8Very low25.7Very low190 Ų190157.6 Ų157.689%0.88881%0.809SS**  trans-147.7148.8167.3-154.7163.813.100109.2
1784F21.4Very low26Very low178 Ų178157.2 Ų157.278%0.78181%0.81SS**  trans-64.6153.7-174.7-88.3-112.9000113.2N1786F1784-N1786 WeakPolarHBondContact CD1-OD1 3.43Å
1785N27Very low26.1Very low166 Ų166157 Ų15789%0.88881%0.809SS**  trans-144.7134.6131.6-100.9-6.8000107.7
1786N23.6Very low26.7Very low125 Ų125156.7 Ų156.767%0.66881%0.808SS**  trans-88.7146.9169.7-59.1-23.5000108.4F1784F1784-N1786 WeakPolarHBondContact CD1-OD1 3.43Å
1787D29Very low26.7Very low142 Ų142158 Ų15876%0.75980%0.804SS**  trans-162.5128.2148.4-102.5-31.4000112.9
1788H30.2Very low27.3Very low177 Ų177152 Ų15282%0.81980%0.796SS**  trans55.186.4146-67.369.8000121.2
1789G25.6Very low27.5Very low74 Ų74152.3 Ų152.376%0.76379%0.79SS**  97.8162.7103.200000121
1790V32.9Very low27.9Very low130 Ų130153 Ų15379%0.78879%0.793SS**  trans7979.6174.3-165.40000116.9
1791D29.2Very low28.2Very low138 Ų138148.1 Ų148.174%0.73878%0.784SS**  62.5148.5113.9-43-23.9000123
1792D33.1Very low28.4Very low144 Ų144148.1 Ų148.177%0.7779%0.788SS**  trans70.985.9160.2-55.8-7.9000121
1793D30Very low28.7Very low143 Ų143144.2 Ų144.277%0.76578%0.783SS**  66130.5122.6-57.7-9.8000125
1794D30Very low29.1Very low146 Ų146138.7 Ų138.778%0.78176%0.763SS**  trans68.9120143.6-64.4-9.5000124.5
1795D29.2Very low29.4Very low151 Ų151136.7 Ų136.781%0.80777%0.771SS**  trans43.7109.1143.1-76.5-13.1000121.4
1796D33.8Very low29.3Very low159 Ų159131.2 Ų131.285%0.8575%0.754SS**  -147.2141.3120.9-147.9-16.7000112.5
1797S29.4Very low29.5Very low104 Ų104129.9 Ų129.973%0.72776%0.76SS**  trans-105.3112.5-170.6-74.60000112.5
1798T33.6Very low29.2Very low127 Ų127134.9 Ų134.978%0.77977%0.769SS**  trans-109.598176-59.60000112.3L1800T1798-L1800 PolarHBondContact O-N 3.44Å
1799D27.6Very low28.9Very low123 Ų123135.3 Ų135.366%0.65877%0.768SS**  trans-61.3120171.2-86.3-44.2000112
1800L32.4Very low28.9Very low157 Ų157139.3 Ų139.382%0.82277%0.77SS**  trans-100.595.4166.7-76.6179.1000110.8T1798 L1802T1798-L1800 PolarHBondContact O-N 3.44Å; L1800-L1802 PolarHBondContact O-N 3.45Å
1801L28.5Very low28.3Very low135 Ų135139 Ų13971%0.70776%0.763SS**  trans-60100.9177.3-70.5168.3000112.3L1803 L1964L1801-L1803 PolarHBondContact O-N 2.83Å; L1801-L1964 HydrophobicContact CD2-CD1 3.74Å
1802L27.4Very low27.9Very low166 Ų166138.8 Ų138.887%0.86977%0.767SS**  trans-81.497175.1-97.6161.4000111.2L1800L1800-L1802 PolarHBondContact O-N 3.45Å
1803L27.7Very low27.3Very low154 Ų154140.6 Ų140.681%0.80677%0.768SS**  trans-65.5134.7176.3-80.9166.4000112.4L1801L1801-L1803 PolarHBondContact O-N 2.83Å
1804P30.3Very low26.9Very low73 Ų73139.5 Ų139.547%0.47477%0.771SS.*  trans-77.5130.4-173.6-11.627.5000113.4G1806 N1957P1804-G1806 VanDerWaalsContact C-N 3.33Å; P1804-G1806 PolarHBondContact O-N 3.19Å; P1804-N1957 HydrophobicContact CG-CB 3.61Å; P1804-N1957 WeakPolarHBondContact CG-ND2 3.23Å; P1804-N1957 VanDerWaalsContact CG-OD1 3.27Å; P1804-N1957 WeakPolarHBondContact CG-OD1 3.28Å
1805S26.4Very low26.4Very low136 Ų136141.9 Ų141.995%0.95177%0.774SS**  trans-77.870179.81740000113.1
1806G25.6Very low26Very low51 Ų51143.1 Ų143.153%0.52678%0.775SS.*  trans-110.5-18.7-170.500000119.2P1804P1804-G1806 VanDerWaalsContact C-N 3.33Å; P1804-G1806 PolarHBondContact O-N 3.19Å
1807A27.2Very low25.4Very low98 Ų98141.2 Ų141.281%0.8177%0.774SS**  trans-100.6131.5-167.100000114.8
1808R24.2Very low25.1Very low246 Ų246144 Ų14493%0.92878%0.775SS**  trans-84128.1-178.1-59.7-173.7-165.6-167.16.7112.2I1810R1808-I1810 PolarHBondContact O-N 3.1Å
1809K23.6Very low24.6Very low186 Ų186143.5 Ų143.581%0.80978%0.775SS**  trans-83.1101.6-167.9-173.7175-171.6165.30113.6I1811K1809-I1811 HydrophobicContact CG-CG1 4.39Å
1810I23.9Very low24.3Very low158 Ų158145.9 Ų145.981%0.8179%0.786SS**  trans-111.3133.1163.1-62.6-178.6000108.9R1808R1808-I1810 PolarHBondContact O-N 3.1Å
1811I21.4Very low23.8Very low125 Ų125146.9 Ų146.964%0.64179%0.787SS**  trans-104.4104-171.7-59.1168.8000109.7K1809 K1813K1809-I1811 HydrophobicContact CG-CG1 4.39Å; I1811-K1813 HydrophobicContact CG2-CG 4.36Å
1812V21.2Very low23.5Very low133 Ų133146.1 Ų146.181%0.80679%0.793SS**  trans-101.8129.3162.7-178.40000108.2S1814V1812-S1814 PolarHBondContact O-N 2.83Å
1813K19.9Very low23.4Very low182 Ų182145.9 Ų145.979%0.79179%0.791SS**  trans-92.599.7-177.9-67.3177.8179.71770109.8I1811I1811-K1813 HydrophobicContact CG2-CG 4.36Å
1814S22.2Very low23Very low119 Ų119147 Ų14783%0.83279%0.789SS**  trans-59.7137165.150.10000110V1812V1812-S1814 PolarHBondContact O-N 2.83Å
1815K19.6Very low22.7Very low197 Ų197150.7 Ų150.786%0.85781%0.805SS**  trans-120.3153.1167-78.8-171.8174.9-174.90107.9
1816H20.5Very low22.6Very low176 Ų176150.2 Ų150.282%0.81579%0.791SS**  trans7376.1167.3-120.322.2000116.1
1817S21.6Very low22.3Very low120 Ų120154.3 Ų154.384%0.83980%0.797SS**  trans-112.9140.5130.252.80000108.3
1818Q21.4Very low22.1Very low161 Ų161157.4 Ų157.475%0.75279%0.794SS**  trans-132.4130.8164.7-84.3-163.8-42.200107.6
1819P23.8Very low22.2Very low118 Ų118151.3 Ų151.377%0.76679%0.789SS**  trans-72.4147.4176.9-14.429.7000111.8
1820L21.2Very low22.1Very low172 Ų172150.6 Ų150.690%0.90179%0.789SS**  trans-89.3102.2157.2-88.476.6000108.4
1821E23Very low22Very low179 Ų179150.9 Ų150.984%0.83679%0.79SS**  trans-91.4142.6162.9-76.6-167.2130.100110.9
1822S21.9Very low22.2Very low118 Ų118148.2 Ų148.283%0.82579%0.794SS**  trans-98.1101-172.9-66.60000111.5K1824S1822-K1824 PolarHBondContact O-N 2.81Å
1823I24.2Very low22.2Very low162 Ų162151.8 Ų151.883%0.83180%0.799SS**  trans-80.3114.8175.2-62.3177000109.7
1824K20Very low22.6Very low178 Ų178148.6 Ų148.677%0.77480%0.796SS**  trans-90.7177.4159.3-70.7-179.4177.5176.90109.4S1822S1822-K1824 PolarHBondContact O-N 2.81Å
1825N23.7Very low22.6Very low150 Ų150151.9 Ų151.980%0.80280%0.796SS**  trans78.8144.8-175.9-37.5-22.1000112.1
1826N23.9Very low22.7Very low125 Ų125149.4 Ų149.467%0.66879%0.792SS**  cis-145.8146.5-8.4-144.329.7000113.1
1827E20.5Very low22.8Very low138 Ų138145.4 Ų145.465%0.64578%0.784SS**  trans32.8144.7139.6-76.2-174122.300125.5
1828H22.1Very low22.8Very low162 Ų162144.7 Ų144.775%0.7578%0.779SS**  trans72.397.4146.2-72.942.5000120.3
1829S26.1Very low22.7Very low118 Ų118141.7 Ų141.783%0.82578%0.776SS**  -162.8113.412743.90000114.8
1830Q21.8Very low22.7Very low172 Ų172142.6 Ų142.680%0.80478%0.779SS**  trans38.7116.7134.9-61.5-1715.700123.1
1831I21.1Very low22.7Very low163 Ų163141 Ų14184%0.83677%0.772SS**  71.5122.2117-62.4165.3000119.7
1832G27.1Very low22.7Very low70 Ų70139.7 Ų139.772%0.72277%0.769SS**  trans165.481.316500000114.5
1833K21.2Very low22.6Very low208 Ų208139 Ų13990%0.90476%0.763SS**  trans-118.4118.8178.8-76.3-174.2178.4178.70113.8
1834P26.8Very low22.4Very low114 Ų114135.8 Ų135.874%0.7476%0.756SS**  trans-112.9137.5139.837.4-28.7000108.9
1835K23.5Very low22.5Very low189 Ų189136.9 Ų136.982%0.82276%0.76SS**  54.8123.259.4-63.5-172.4180-179.30111.6
1836N21.8Very low22.4Very low145 Ų145134.5 Ų134.578%0.77576%0.756SS**  cis-161.2174.10.7-136.217.7000111.5
1837S23.2Very low22.2Very low91 Ų91135.8 Ų135.864%0.63676%0.76SS**  trans55.6114149.460.20000121.7
1838S20.3Very low22.3Very low106 Ų106134.8 Ų134.874%0.74176%0.763SS**  trans53.6151.2130.163.30000122.2
1839S20.6Very low22.3Very low98 Ų98136.1 Ų136.169%0.68577%0.767SS**  cis-176.9156.7-15.1-90.30000107.1
1840T23.4Very low22.2Very low137 Ų137136.9 Ų136.984%0.8476%0.76SS**  trans60.4161.5164.9490000117.8
1841N20.6Very low22.2Very low139 Ų139134 Ų13474%0.74376%0.755SS**  cis-162.6168-46.7-138.1-20.3000107.5
1842I23.3Very low22.2Very low151 Ų151131.1 Ų131.177%0.77475%0.749SS**  trans65.4100.4168.2-53.4152.2000113.8
1843S19.6Very low21.9Very low102 Ų102137.1 Ų137.171%0.71376%0.756SS**  81117.167.2-168.50000116.7
1844S19.4Very low22.1Very low96 Ų96138.1 Ų138.167%0.67176%0.756SS**  trans67.1103152.471.90000120.7
1845K23.3Very low21.9Very low200 Ų200135.8 Ų135.887%0.8775%0.752SS**  173.7128102.7-92.2163.9-175.9174.20114.1
1846S20Very low22Very low100 Ų100133.1 Ų133.170%0.69975%0.747SS**  trans10.3118.4145.9165.20000119.8
1847M20.7Very low22.1Very low153 Ų153133.1 Ų133.175%0.75475%0.747SS**  -168155.6116.9-111.7-61.2126.200115.6
1848T22.1Very low22.3Very low116 Ų116134.9 Ų134.971%0.71275%0.753SS**  trans61.9131.6157.852.30000123.3
1849K22.6Very low22.5Very low191 Ų191138.5 Ų138.583%0.8376%0.759SS**  trans102.2146.4131.8-103.8-179.3176-179.60121.6
1850L23.1Very low23.1Very low133 Ų133136.9 Ų136.970%0.69675%0.751SS**  trans79.6100.1160.4-97.466000121.6
1851T23.2Very low23.7Very low113 Ų113136.3 Ų136.369%0.69374%0.742SS**  57.2110.5120.956.70000122.1
1852S20.2Very low24.5Very low101 Ų101135.8 Ų135.871%0.70674%0.739SS**  61.6124.5126.767.50000122.3
1853F20.9Very low25.3Very low197 Ų197131.8 Ų131.886%0.86473%0.725SS**  trans5281.7138.9-84-93.6000118.4
1854Y25.8Very low26.3Very low229 Ų229134.6 Ų134.690%0.89872%0.724SS**  -128.9113.3125.8-96.2-86.2000109
1855G21.6Very low27.5Very low64 Ų64137.9 Ų137.966%0.6673%0.726SS**  trans-99.6125.5163.300000108.7
1856N25.9Very low28.9Very low134 Ų134131 Ų13172%0.71770%0.704SS**  trans-164.3108.9162.6-99.5-31.7000111.2
1857N23.8Very low30.9Very low145 Ų145130.9 Ų130.978%0.77569%0.69SS**  trans40.699.2144.6-55.4-19.8000120.1
1858T26.9Very low33Very low127 Ų127130 Ų13078%0.77968%0.684SS**  trans-132.2-10.1157.422.60000115.5A1860T1858-A1860 VanDerWaalsContact C-N 3.31Å; T1858-A1860 PolarHBondContact O-N 3.12Å
1859Q25.8Very low35.6Very low182 Ų182128 Ų12885%0.8567%0.667SS**THydrogen-bonded Turntrans-85.111.6-176.9-68.3-177.3-1800115.4S1863Q1859-S1863 PolarHBondContact O-OG 3.17Å
1860A32Very low38.1Very low64 Ų64119.9 Ų119.953%0.52963%0.632SS.*THydrogen-bonded Turntrans-93.7-0.5-172.200000115.3T1858T1858-A1860 VanDerWaalsContact C-N 3.31Å; T1858-A1860 PolarHBondContact O-N 3.12Å
1861I37.2Very low40.6Very low126 Ų126119 Ų11965%0.64662%0.62SS**SBendtrans-99.8-55.6-173.5-59.7179.6000110.9S1863 K1864 F1865I1861-S1863 PolarHBondContact O-N 2.74Å; I1861-K1864 WeakPolarHBondContact O-CB 3.29Å; I1861-K1864 PolarHBondContact O-N 2.69Å; I1861-F1865 PolarHBondContact O-N 2.76Å
1862D36.4Very low43.5Very low127 Ų127118 Ų11868%0.67961%0.608SS**Hα-helixtrans-58.3-36.9-176.9-52.7-24.6000112.5K1864 F1865 S1866D1862-K1864 PolarHBondContact O-N 3.5Å; D1862-F1865 PolarHBondContact O-N 3.19Å; D1862-S1866 PolarHBondContact O-N 2.73Å; D1862-S1866 VanDerWaalsContact O-N 3.12Å
1863S40.8Very low46.6Very low68 Ų68113.7 Ų113.748%0.47658%0.577SS.*Hα-helixtrans-68.6-15.5177.553.70000114.5Q1859 I1861 K1867Q1859-S1863 PolarHBondContact O-OG 3.17Å; I1861-S1863 PolarHBondContact O-N 2.74Å; S1863-K1867 WeakPolarHBondContact O-CG 3.33Å
1864K40.1Very low49.7Very low160 Ų160104.5 Ų104.570%0.69654%0.537SS*.Hα-helixtrans-86.8-39.1168-72.4-171.9175-174.30112.1I1861 D1862 K1867 H1868I1861-K1864 WeakPolarHBondContact O-CB 3.29Å; I1861-K1864 PolarHBondContact O-N 2.69Å; D1862-K1864 PolarHBondContact O-N 3.5Å; K1864-K1867 PolarHBondContact O-N 3.26Å; K1864-H1868 PolarHBondContact O-N 2.73Å; K1864-H1868 VanDerWaalsContact O-N 3.17Å
1865F44.7Very low52.6Low165 Ų16597 Ų9772%0.72451%0.513SS*.Hα-helixtrans-66.6-46.5-176.2-145.6-82.4000111.7I1861 D1862 K1867 H1868 H1869I1861-F1865 PolarHBondContact O-N 2.76Å; D1862-F1865 PolarHBondContact O-N 3.19Å; F1865-K1867 VanDerWaalsContact C-N 3.34Å; F1865-K1867 PolarHBondContact O-N 2.8Å; F1865-H1868 PolarHBondContact O-N 2.61Å; F1865-H1869 PolarHBondContact O-N 2.72Å
1866S54.2Low55.9Low57 Ų5796.7 Ų96.740%0.39950%0.495SS..Hα-helixtrans-58-42.7174.8167.60000112.5D1862 H1868 H1869 I1870D1862-S1866 PolarHBondContact O-N 2.73Å; D1862-S1866 VanDerWaalsContact O-N 3.12Å; S1866-H1868 PolarHBondContact O-N 3.48Å; S1866-H1869 PolarHBondContact O-N 3.44Å; S1866-I1870 WeakPolarHBondContact O-CG1 3.37Å; S1866-I1870 PolarHBondContact O-N 3.12Å; S1866-I1870 VanDerWaalsContact O-N 3.14Å
1867K61Low59.1Low96 Ų9690.3 Ų90.342%0.41746%0.461SS..Hα-helixtrans-60.3-43.9176.4-77.9-170.5173.5-158.30112.4S1863 K1864 F1865 H1869 I1870 Y1871S1863-K1867 WeakPolarHBondContact O-CG 3.33Å; K1864-K1867 PolarHBondContact O-N 3.26Å; F1865-K1867 VanDerWaalsContact C-N 3.34Å; F1865-K1867 PolarHBondContact O-N 2.8Å; K1867-H1869 VanDerWaalsContact C-N 3.35Å; K1867-H1869 PolarHBondContact O-N 2.78Å; K1867-I1870 PolarHBondContact O-N 3.35Å; K1867-Y1871 WeakPolarHBondContact O-CD2 3.23Å; K1867-Y1871 PolarHBondContact O-N 2.84Å
1868H65.2Low62.3Low135 Ų13583.5 Ų83.563%0.62543%0.425SS*.Hα-helixtrans-60-45.5179.2-170-76.6000111.7K1864 F1865 S1866 I1870 Y1871 E1872K1864-H1868 PolarHBondContact O-N 2.73Å; K1864-H1868 VanDerWaalsContact O-N 3.17Å; F1865-H1868 PolarHBondContact O-N 2.61Å; S1866-H1868 PolarHBondContact O-N 3.48Å; H1868-I1870 PolarHBondContact O-N 2.89Å; H1868-Y1871 PolarHBondContact O-N 2.67Å; H1868-E1872 PolarHBondContact O-N 2.77Å
1869H75.3Confident65.5Low75 Ų7578.8 Ų78.835%0.34739%0.394SS..Hα-helixtrans-66.4-37.2-178.6-164.447.3000112.8E1683 F1865 S1866 K1867 Y1871 E1872 I1873E1683-H1869 IonicContact OE1-CD2 3.13Å; F1865-H1869 PolarHBondContact O-N 2.72Å; S1866-H1869 PolarHBondContact O-N 3.44Å; K1867-H1869 VanDerWaalsContact C-N 3.35Å; K1867-H1869 PolarHBondContact O-N 2.78Å; H1869-Y1871 PolarHBondContact O-N 3.29Å; H1869-E1872 IonicContact CE1-OE2 3.58Å; H1869-E1872 IonicContact ND1-OE2 2.72Å; H1869-E1872 PolarHBondContact ND1-OE2 2.78Å; H1869-E1872 WeakPolarHBondContact O-CB 3.37Å; H1869-E1872 PolarHBondContact O-N 2.65Å; H1869-I1873 WeakPolarHBondContact O-CG1 3.18Å; H1869-I1873 PolarHBondContact O-N 2.74Å
1870I76.3Confident68.7Low19 Ų1970.3 Ų70.310%0.09735%0.354CS..Hα-helixtrans-67.3-35.4175.9-61.9165.8000111.5L1678 E1683 S1866 K1867 H1868 T1874L1678-I1870 HydrophobicContact CD2-CB 4.34Å; L1678-I1870 HydrophobicContact CD2-CD1 3.69Å; L1678-I1870 HydrophobicContact CD2-CG2 4.03Å; E1683-I1870 HydrophobicContact CG-CG1 4.41Å; S1866-I1870 WeakPolarHBondContact O-CG1 3.37Å; S1866-I1870 PolarHBondContact O-N 3.12Å; S1866-I1870 VanDerWaalsContact O-N 3.14Å; K1867-I1870 PolarHBondContact O-N 3.35Å; H1868-I1870 PolarHBondContact O-N 2.89Å; I1870-T1874 WeakPolarHBondContact O-CB 3.4Å; I1870-T1874 PolarHBondContact O-N 2.91Å; I1870-T1874 PolarHBondContact O-OG1 3.49Å
1871Y76.2Confident71.6Confident115 Ų11567.2 Ų67.245%0.45133%0.329SS..Hα-helixtrans-66.2-39.5171.2-75.3-62.8000112.3K1867 H1868 H1869 T1874 N1875K1867-Y1871 WeakPolarHBondContact O-CD2 3.23Å; K1867-Y1871 PolarHBondContact O-N 2.84Å; H1868-Y1871 PolarHBondContact O-N 2.67Å; H1869-Y1871 PolarHBondContact O-N 3.29Å; Y1871-T1874 WeakPolarHBondContact O-CB 3.19Å; Y1871-T1874 PolarHBondContact O-N 2.6Å; Y1871-N1875 PolarHBondContact O-N 2.79Å
1872E82.7Confident74.3Confident92 Ų9261.2 Ų61.243%0.4330%0.298SS..Hα-helixtrans-61.3-46.8174.7-176-172.6-173.900111.9H1868 H1869 T1874 N1875 N1876H1868-E1872 PolarHBondContact O-N 2.77Å; H1869-E1872 IonicContact CE1-OE2 3.58Å; H1869-E1872 IonicContact ND1-OE2 2.72Å; H1869-E1872 PolarHBondContact ND1-OE2 2.78Å; H1869-E1872 WeakPolarHBondContact O-CB 3.37Å; H1869-E1872 PolarHBondContact O-N 2.65Å; E1872-T1874 VanDerWaalsContact C-N 3.32Å; E1872-T1874 PolarHBondContact O-N 3.4Å; E1872-N1875 PolarHBondContact O-N 2.76Å; E1872-N1876 PolarHBondContact O-N 3.21Å; E1872-N1876 PolarHBondContact O-ND2 2.76Å
1873I86.3Confident76.9Confident11 Ų1155.2 Ų55.26%0.05627%0.266CS..Hα-helixtrans-60.8-41.8173.4-66.6167.6000110.6E1683 A1686 L1690 H1869 N1876 I1877E1683-I1873 HydrophobicContact CG-CD1 4.26Å; A1686-I1873 HydrophobicContact CB-CG2 3.69Å; L1690-I1873 HydrophobicContact CD2-CG2 4.33Å; H1869-I1873 WeakPolarHBondContact O-CG1 3.18Å; H1869-I1873 PolarHBondContact O-N 2.74Å; I1873-N1876 WeakPolarHBondContact O-CB 3.35Å; I1873-N1876 PolarHBondContact O-N 3.2Å; I1873-I1877 HydrophobicContact CG2-CD1 3.92Å; I1873-I1877 HydrophobicContact CG2-CG1 4.44Å; I1873-I1877 WeakPolarHBondContact O-CG1 3.16Å; I1873-I1877 PolarHBondContact O-N 3.38Å
1874T85.8Confident79.3Confident4 Ų452.1 Ų52.13%0.02525%0.245CC..Hα-helixtrans-62.5-44.1178.8-59.10000112P1679 C1731 I1870 Y1871 E1872 I1877 L1878P1679-T1874 HydrophobicContact CB-CG2 4.31Å; P1679-T1874 HydrophobicContact CG-CG2 3.79Å; P1679-T1874 VanDerWaalsContact CG-OG1 3.27Å; P1679-T1874 WeakPolarHBondContact CG-OG1 3.17Å; C1731-T1874 HydrophobicContact CB-CG2 3.66Å; I1870-T1874 WeakPolarHBondContact O-CB 3.4Å; I1870-T1874 PolarHBondContact O-N 2.91Å; I1870-T1874 PolarHBondContact O-OG1 3.49Å; Y1871-T1874 WeakPolarHBondContact O-CB 3.19Å; Y1871-T1874 PolarHBondContact O-N 2.6Å; E1872-T1874 VanDerWaalsContact C-N 3.32Å; E1872-T1874 PolarHBondContact O-N 3.4Å; T1874-I1877 PolarHBondContact O-N 2.84Å; T1874-L1878 PolarHBondContact O-N 3.39Å
1875N87.3Confident81.8Confident72 Ų7244.5 Ų44.539%0.38521%0.211SC..Hα-helixtrans-63.1-44175.4-72-17.1000111.2Y1871 E1872 I1877 L1878 H1879Y1871-N1875 PolarHBondContact O-N 2.79Å; E1872-N1875 PolarHBondContact O-N 2.76Å; N1875-I1877 VanDerWaalsContact C-N 3.33Å; N1875-I1877 PolarHBondContact O-N 3.23Å; N1875-L1878 WeakPolarHBondContact O-CB 3.32Å; N1875-L1878 PolarHBondContact O-N 3.33Å; N1875-L1878 VanDerWaalsContact O-N 3.15Å; N1875-H1879 PolarHBondContact O-CD2 2.75Å; N1875-H1879 PolarHBondContact O-N 2.7Å; N1875-H1879 PolarHBondContact O-ND1 3.06Å
1876N90.1Very high84Confident56 Ų5636.7 Ų36.730%0.29918%0.178SC..Hα-helixtrans-59.6-39.9174.5-84-81.4000112.6L1690 E1872 I1873 H1879 E1880L1690-N1876 HydrophobicContact CD1-CB 3.84Å; L1690-N1876 HydrophobicContact CD2-CB 3.88Å; E1872-N1876 PolarHBondContact O-N 3.21Å; E1872-N1876 PolarHBondContact O-ND2 2.76Å; I1873-N1876 WeakPolarHBondContact O-CB 3.35Å; I1873-N1876 PolarHBondContact O-N 3.2Å; N1876-H1879 PolarHBondContact O-N 2.75Å; N1876-E1880 WeakPolarHBondContact O-CG 3.43Å; N1876-E1880 PolarHBondContact O-N 3.26Å
1877I92.6Very high85.6Confident0 Ų034.6 Ų34.60%016%0.161CC..Hα-helixtrans-63.5-45.6173.9-70.2166.9000110.2F1680 A1686 T1689 L1690 L1693 L1727 I1873 T1874 N1875 H1879 E1880 V1881F1680-I1877 HydrophobicContact CE2-CD1 3.65Å; F1680-I1877 HydrophobicContact CZ-CD1 3.64Å; F1680-I1877 HydrophobicContact CZ-CG2 4.4Å; A1686-I1877 HydrophobicContact CB-CD1 3.91Å; A1686-I1877 WeakPolarHBondContact O-CD1 3.06Å; T1689-I1877 HydrophobicContact CG2-CD1 4.25Å; T1689-I1877 HydrophobicContact CG2-CG1 4.44Å; T1689-I1877 HydrophobicContact CG2-CG2 4.1Å; L1690-I1877 HydrophobicContact CB-CD1 4.37Å; L1690-I1877 HydrophobicContact CB-CG1 3.74Å; L1690-I1877 HydrophobicContact CD1-CG1 4.03Å; L1690-I1877 HydrophobicContact CG-CG1 4.37Å; L1693-I1877 HydrophobicContact CD1-CG2 4.01Å; L1727-I1877 HydrophobicContact CD1-CG2 4.45Å; L1727-I1877 HydrophobicContact CD2-CG2 4.31Å; I1873-I1877 HydrophobicContact CG2-CD1 3.92Å; I1873-I1877 HydrophobicContact CG2-CG1 4.44Å; I1873-I1877 WeakPolarHBondContact O-CG1 3.16Å; I1873-I1877 PolarHBondContact O-N 3.38Å; T1874-I1877 PolarHBondContact O-N 2.84Å; N1875-I1877 VanDerWaalsContact C-N 3.33Å; N1875-I1877 PolarHBondContact O-N 3.23Å; I1877-H1879 VanDerWaalsContact C-N 3.33Å; I1877-H1879 PolarHBondContact O-N 3.5Å; I1877-E1880 PolarHBondContact O-N 3.09Å; I1877-V1881 HydrophobicContact CG2-CG2 4.27Å; I1877-V1881 WeakPolarHBondContact O-CB 3.48Å; I1877-V1881 VanDerWaalsContact O-CG2 3.31Å; I1877-V1881 WeakPolarHBondContact O-CG2 3.41Å; I1877-V1881 PolarHBondContact O-N 2.8Å
1878L92Very high86.9Confident2 Ų230.7 Ų30.71%0.0114%0.144CC..Hα-helixtrans-60.5-41.8179-175.752.3000111.8L1728 C1731 V1732 T1874 N1875 V1881 I1882 L1914 Y1918L1728-L1878 HydrophobicContact CD2-CD1 3.48Å; L1728-L1878 VanDerWaalsContact CD2-CD1 3.48Å; C1731-L1878 HydrophobicContact CB-CB 4.06Å; C1731-L1878 HydrophobicContact CB-CD1 4.36Å; C1731-L1878 HydrophobicContact CB-CD2 4.43Å; V1732-L1878 HydrophobicContact CG2-CD2 4.43Å; T1874-L1878 PolarHBondContact O-N 3.39Å; N1875-L1878 WeakPolarHBondContact O-CB 3.32Å; N1875-L1878 PolarHBondContact O-N 3.33Å; N1875-L1878 VanDerWaalsContact O-N 3.15Å; L1878-V1881 PolarHBondContact O-N 2.68Å; L1878-I1882 HydrophobicContact CD1-CD1 4.29Å; L1878-I1882 HydrophobicContact CG-CD1 4.24Å; L1878-I1882 WeakPolarHBondContact O-CD1 3.41Å; L1878-I1882 VanDerWaalsContact O-CG1 3.27Å; L1878-I1882 WeakPolarHBondContact O-CG1 3.4Å; L1878-I1882 PolarHBondContact O-N 3.21Å; L1878-L1914 HydrophobicContact CD1-CD2 4.04Å; L1878-L1914 HydrophobicContact CD2-CD2 4.37Å; L1878-Y1918 HydrophobicContact CD2-CE2 4.07Å; L1878-Y1918 VanDerWaalsContact CD2-OH 3.3Å; L1878-Y1918 WeakPolarHBondContact CD2-OH 3.36Å; L1878-Y1918 WeakPolarHBondContact CG-OH 3.24Å
1879H93.6Very high88.1Confident29 Ų2924.2 Ų24.213%0.13412%0.115CC..Hα-helixtrans-62.9-46.5174-57.5-22000112.3N1875 N1876 I1877 V1881 I1882 L1883 Y1918 I1927 F1988N1875-H1879 PolarHBondContact O-CD2 2.75Å; N1875-H1879 PolarHBondContact O-N 2.7Å; N1875-H1879 PolarHBondContact O-ND1 3.06Å; N1876-H1879 PolarHBondContact O-N 2.75Å; I1877-H1879 VanDerWaalsContact C-N 3.33Å; I1877-H1879 PolarHBondContact O-N 3.5Å; H1879-V1881 VanDerWaalsContact C-N 3.31Å; H1879-V1881 PolarHBondContact O-N 2.73Å; H1879-I1882 PolarHBondContact O-N 3.42Å; H1879-L1883 WeakPolarHBondContact O-CG 3.19Å; H1879-L1883 PolarHBondContact O-N 3.24Å; H1879-Y1918 AromaticContact CE1-CZ 3.93Å; H1879-Y1918 PolarHBondContact CE1-OH 2.79Å; H1879-Y1918 AromaticContact ND1-CE1 3.91Å; H1879-Y1918 AromaticContact ND1-CZ 3.96Å; H1879-Y1918 PolarHBondContact ND1-OH 3.26Å; H1879-Y1918 VanDerWaalsContact ND1-OH 3.13Å; H1879-I1927 HydrophobicContact CB-CD1 4.21Å; H1879-I1927 HydrophobicContact CB-CG2 4.37Å; H1879-F1988 HydrophobicContact CB-CE1 4.04Å; H1879-F1988 HydrophobicContact CB-CZ 3.92Å
1880E92.9Very high88.8Confident3 Ų320.7 Ų20.71%0.01410%0.098CC..Hα-helixtrans-69.8-26.1179-63.1-79.3171.200112.8L1690 L1693 K1694 N1697 N1876 I1877 C1884 R1987L1690-E1880 HydrophobicContact CD1-CG 3.88Å; L1693-E1880 HydrophobicContact CB-CB 3.86Å; L1693-E1880 HydrophobicContact CD1-CB 4.3Å; K1694-E1880 WeakPolarHBondContact CE-OE1 3.33Å; K1694-E1880 HydrophobicContact CG-CG 3.95Å; K1694-E1880 VanDerWaalsContact CG-OE1 3.23Å; K1694-E1880 WeakPolarHBondContact CG-OE1 3.32Å; N1697-E1880 PolarHBondContact ND2-O 2.92Å; N1697-E1880 PolarHBondContact ND2-OE2 2.76Å; N1876-E1880 WeakPolarHBondContact O-CG 3.43Å; N1876-E1880 PolarHBondContact O-N 3.26Å; I1877-E1880 PolarHBondContact O-N 3.09Å; E1880-C1884 WeakPolarHBondContact O-CB 3.27Å; E1880-C1884 PolarHBondContact O-N 3.07Å; E1880-R1987 VanDerWaalsContact CD-NH1 3.33Å; E1880-R1987 IonicContact OE1-CZ 3.5Å; E1880-R1987 VanDerWaalsContact OE1-CZ 3.3Å; E1880-R1987 IonicContact OE1-NH1 2.88Å; E1880-R1987 PolarHBondContact OE1-NH1 2.9Å; E1880-R1987 IonicContact OE1-NH2 2.68Å; E1880-R1987 PolarHBondContact OE1-NH2 2.77Å; E1880-R1987 IonicContact OE2-CZ 3.18Å; E1880-R1987 IonicContact OE2-NH1 3.47Å; E1880-R1987 PolarHBondContact OE2-NH1 3.18Å
1881V93.3Very high89.3Confident0 Ų023.5 Ų23.50%011%0.113CC..Hα-helixtrans-67.6-46.3168.8164.60000111.1L1693 L1724 L1727 L1728 I1877 L1878 H1879 L1883 C1884 I1885L1693-V1881 HydrophobicContact CD1-CG2 3.73Å; L1693-V1881 HydrophobicContact CD2-CG2 4.4Å; L1724-V1881 HydrophobicContact CD2-CB 4.44Å; L1724-V1881 HydrophobicContact CD2-CG1 3.9Å; L1724-V1881 HydrophobicContact CD2-CG2 4.32Å; L1727-V1881 HydrophobicContact CB-CG2 3.87Å; L1727-V1881 HydrophobicContact CD1-CG2 3.76Å; L1727-V1881 HydrophobicContact CG-CG2 4.48Å; L1728-V1881 HydrophobicContact CD2-CG1 3.63Å; L1728-V1881 HydrophobicContact CG-CG1 3.86Å; I1877-V1881 HydrophobicContact CG2-CG2 4.27Å; I1877-V1881 WeakPolarHBondContact O-CB 3.48Å; I1877-V1881 VanDerWaalsContact O-CG2 3.31Å; I1877-V1881 WeakPolarHBondContact O-CG2 3.41Å; I1877-V1881 PolarHBondContact O-N 2.8Å; L1878-V1881 PolarHBondContact O-N 2.68Å; H1879-V1881 VanDerWaalsContact C-N 3.31Å; H1879-V1881 PolarHBondContact O-N 2.73Å; V1881-L1883 VanDerWaalsContact C-N 3.32Å; V1881-L1883 PolarHBondContact O-N 2.78Å; V1881-C1884 PolarHBondContact O-N 3.11Å; V1881-I1885 HydrophobicContact CG1-CD1 4.01Å; V1881-I1885 WeakPolarHBondContact O-CG1 3.14Å; V1881-I1885 PolarHBondContact O-N 3.48Å; V1881-I1885 VanDerWaalsContact O-N 3.1Å
1882I94.1Very high89.9Confident0 Ų019.7 Ų19.70%010%0.1CC..Hα-helixtrans-63.2-39.7176.4-65.5162000110.5L1878 H1879 G1886 L1911 L1914 Y1918 I1927 L1928 T1931L1878-I1882 HydrophobicContact CD1-CD1 4.29Å; L1878-I1882 HydrophobicContact CG-CD1 4.24Å; L1878-I1882 WeakPolarHBondContact O-CD1 3.41Å; L1878-I1882 VanDerWaalsContact O-CG1 3.27Å; L1878-I1882 WeakPolarHBondContact O-CG1 3.4Å; L1878-I1882 PolarHBondContact O-N 3.21Å; H1879-I1882 PolarHBondContact O-N 3.42Å; I1882-G1886 PolarHBondContact O-N 2.88Å; I1882-L1911 HydrophobicContact CG1-CD2 4.03Å; I1882-L1914 HydrophobicContact CD1-CD1 3.83Å; I1882-L1914 HydrophobicContact CG1-CD1 4.37Å; I1882-Y1918 HydrophobicContact CD1-CD1 4.11Å; I1882-Y1918 HydrophobicContact CD1-CE1 3.6Å; I1882-I1927 HydrophobicContact CB-CG2 4.19Å; I1882-I1927 HydrophobicContact CD1-CG2 4.49Å; I1882-I1927 HydrophobicContact CG2-CG2 3.95Å; I1882-I1927 WeakPolarHBondContact CG2-O 3.26Å; I1882-L1928 HydrophobicContact CG2-CD1 4.24Å; I1882-T1931 HydrophobicContact CG2-CG2 4.2Å; I1882-T1931 WeakPolarHBondContact O-CG2 3.31Å; I1882-T1931 PolarHBondContact O-OG1 2.73Å
1883L91.5Very high90.1Very high0 Ų018.6 Ų18.60%010%0.103CC..Hα-helixtrans-56.4-51.4171.4-75.2-179.6000111.6N1697 H1879 V1881 I1885 G1886 Y1887 F1988 R1993N1697-L1883 WeakPolarHBondContact ND2-CB 3.28Å; H1879-L1883 WeakPolarHBondContact O-CG 3.19Å; H1879-L1883 PolarHBondContact O-N 3.24Å; V1881-L1883 VanDerWaalsContact C-N 3.32Å; V1881-L1883 PolarHBondContact O-N 2.78Å; L1883-I1885 PolarHBondContact O-N 3.38Å; L1883-G1886 PolarHBondContact O-N 2.86Å; L1883-G1886 VanDerWaalsContact O-N 3.14Å; L1883-Y1887 HydrophobicContact CB-CE2 4.34Å; L1883-Y1887 VanDerWaalsContact O-CD2 3.24Å; L1883-Y1887 WeakPolarHBondContact O-CD2 3.26Å; L1883-Y1887 PolarHBondContact O-N 2.73Å; L1883-F1988 HydrophobicContact CD1-CD1 4.19Å; L1883-F1988 HydrophobicContact CD1-CE1 3.59Å; L1883-F1988 HydrophobicContact CD1-CZ 3.9Å; L1883-F1988 HydrophobicContact CD2-CD1 3.56Å; L1883-F1988 HydrophobicContact CD2-CE1 3.68Å; L1883-F1988 HydrophobicContact CG-CD1 4Å; L1883-F1988 HydrophobicContact CG-CE1 3.55Å; L1883-F1988 HydrophobicContact CG-CZ 4.35Å; L1883-R1993 PolarHBondContact O-NH2 3.29Å
1884C91Very high90Very high4 Ų423.7 Ų23.73%0.02713%0.13CC..Hα-helixtrans-60.1-42.8-175.3-173.90000112.7N1697 L1724 E1880 V1881 G1886 Y1887 L1888N1697-C1884 WeakPolarHBondContact OD1-CA 3.46Å; N1697-C1884 VanDerWaalsContact OD1-CB 3.27Å; N1697-C1884 WeakPolarHBondContact OD1-CB 3.27Å; N1697-C1884 PolarHBondContact OD1-N 3.28Å; L1724-C1884 HydrophobicContact CD2-CB 4.32Å; E1880-C1884 WeakPolarHBondContact O-CB 3.27Å; E1880-C1884 PolarHBondContact O-N 3.07Å; V1881-C1884 PolarHBondContact O-N 3.11Å; C1884-G1886 VanDerWaalsContact C-N 3.34Å; C1884-G1886 PolarHBondContact O-N 2.78Å; C1884-Y1887 PolarHBondContact O-N 2.76Å; C1884-L1888 WeakPolarHBondContact O-CB 3.35Å; C1884-L1888 PolarHBondContact O-N 3.45Å
1885I91.6Very high90Very high0 Ų023.9 Ų23.90%013%0.131CC..Hα-helixtrans-64.4-40.6176.9-61.6160.2000110.8L1724 L1728 V1881 L1883 L1888 C1889 L1899 L1907 L1911 T1931L1724-I1885 HydrophobicContact CD1-CG1 4.04Å; L1724-I1885 HydrophobicContact CD2-CG1 4.24Å; L1728-I1885 HydrophobicContact CD1-CD1 4.15Å; V1881-I1885 HydrophobicContact CG1-CD1 4.01Å; V1881-I1885 WeakPolarHBondContact O-CG1 3.14Å; V1881-I1885 PolarHBondContact O-N 3.48Å; V1881-I1885 VanDerWaalsContact O-N 3.1Å; L1883-I1885 PolarHBondContact O-N 3.38Å; I1885-L1888 PolarHBondContact O-N 3.35Å; I1885-C1889 PolarHBondContact O-N 2.74Å; I1885-L1899 HydrophobicContact CG2-CD2 4.09Å; I1885-L1907 HydrophobicContact CD1-CD1 3.95Å; I1885-L1907 HydrophobicContact CD1-CG 4.37Å; I1885-L1907 HydrophobicContact CG1-CD2 4.46Å; I1885-L1911 HydrophobicContact CD1-CD1 4.1Å; I1885-L1911 HydrophobicContact CD1-CD2 4.03Å; I1885-L1911 HydrophobicContact CD1-CG 4.25Å; I1885-L1911 HydrophobicContact CG2-CD1 3.91Å; I1885-T1931 HydrophobicContact CB-CG2 4.17Å; I1885-T1931 HydrophobicContact CG2-CG2 4.15Å
1886G90.6Very high90.1Very high1 Ų120.9 Ų20.91%0.0112%0.115CC..Hα-helixtrans-59-50175.800000112.2I1882 L1883 C1884 L1888 C1889 V1890 T1931I1882-G1886 PolarHBondContact O-N 2.88Å; L1883-G1886 PolarHBondContact O-N 2.86Å; L1883-G1886 VanDerWaalsContact O-N 3.14Å; C1884-G1886 VanDerWaalsContact C-N 3.34Å; C1884-G1886 PolarHBondContact O-N 2.78Å; G1886-L1888 VanDerWaalsContact C-N 3.29Å; G1886-L1888 PolarHBondContact O-N 3.01Å; G1886-C1889 PolarHBondContact O-N 2.84Å; G1886-V1890 VanDerWaalsContact O-CG1 3.31Å; G1886-V1890 WeakPolarHBondContact O-CG1 3.16Å; G1886-V1890 PolarHBondContact O-N 2.75Å; G1886-V1890 VanDerWaalsContact O-N 3.07Å; G1886-T1931 WeakPolarHBondContact CA-OG1 3.36Å
1887Y89.3Confident89.9Confident12 Ų1221.5 Ų21.55%0.04712%0.121CC..Hα-helixtrans-63.4-31.3178.6-73.9-58.3000113.7N1697 A1700 Q1708 L1883 C1884N1697-Y1887 HydrophobicContact CB-CD2 4.48Å; N1697-Y1887 HydrophobicContact CB-CE2 4.31Å; A1700-Y1887 HydrophobicContact CB-CD1 4.15Å; A1700-Y1887 HydrophobicContact CB-CD2 4.15Å; A1700-Y1887 HydrophobicContact CB-CG 3.79Å; Q1708-Y1887 PolarHBondContact NE2-O 3.42Å; L1883-Y1887 HydrophobicContact CB-CE2 4.34Å; L1883-Y1887 VanDerWaalsContact O-CD2 3.24Å; L1883-Y1887 WeakPolarHBondContact O-CD2 3.26Å; L1883-Y1887 PolarHBondContact O-N 2.73Å; C1884-Y1887 PolarHBondContact O-N 2.76Å
1888L87.7Confident89.3Confident14 Ų1422.6 Ų22.67%0.07313%0.128CC..Hα-helixtrans-67.9-36.9177.8-174.264.5000112.3Q1708 L1711 C1884 I1885 G1886 N1895Q1708-L1888 WeakPolarHBondContact CG-O 3.45Å; Q1708-L1888 PolarHBondContact NE2-O 3.24Å; L1711-L1888 HydrophobicContact CB-CD1 3.75Å; L1711-L1888 HydrophobicContact CD1-CD1 4.42Å; C1884-L1888 WeakPolarHBondContact O-CB 3.35Å; C1884-L1888 PolarHBondContact O-N 3.45Å; I1885-L1888 PolarHBondContact O-N 3.35Å; G1886-L1888 VanDerWaalsContact C-N 3.29Å; G1886-L1888 PolarHBondContact O-N 3.01Å; L1888-N1895 HydrophobicContact CG-CB 4.22Å; L1888-N1895 WeakPolarHBondContact O-CB 3.32Å; L1888-N1895 PolarHBondContact O-ND2 2.83Å
1889C89.5Confident88.8Confident0 Ų022.5 Ų22.50%013%0.128CC..Hα-helixtrans-102.9-22.5-168.4-61.90000115.4I1885 G1886 L1891 N1892 Q1896 A1934I1885-C1889 PolarHBondContact O-N 2.74Å; G1886-C1889 PolarHBondContact O-N 2.84Å; C1889-L1891 PolarHBondContact O-N 3.46Å; C1889-L1891 VanDerWaalsContact O-N 3.12Å; C1889-N1892 PolarHBondContact O-N 3.16Å; C1889-N1892 VanDerWaalsContact O-N 3.1Å; C1889-Q1896 HydrophobicContact CB-CG 3.9Å; C1889-Q1896 WeakPolarHBondContact O-CG 3.27Å; C1889-A1934 CarbonylContact C-O 3.59Å
1890V90.2Very high88.1Confident1 Ų123.3 Ų23.31%0.00613%0.132CC..THydrogen-bonded Turntrans-55.1118.1-17749.90000111.8Q1704 Q1708 G1886 N1892 A1934 F1994Q1704-V1890 HydrophobicContact CG-CG1 4.1Å; Q1704-V1890 PolarHBondContact NE2-O 3.42Å; Q1708-V1890 PolarHBondContact NE2-O 3.04Å; G1886-V1890 VanDerWaalsContact O-CG1 3.31Å; G1886-V1890 WeakPolarHBondContact O-CG1 3.16Å; G1886-V1890 PolarHBondContact O-N 2.75Å; G1886-V1890 VanDerWaalsContact O-N 3.07Å; V1890-N1892 VanDerWaalsContact C-N 3.31Å; V1890-N1892 PolarHBondContact O-N 3.3Å; V1890-A1934 HydrophobicContact CB-CB 3.79Å; V1890-F1994 HydrophobicContact CG2-CD2 3.81Å; V1890-F1994 HydrophobicContact CG2-CE2 4.28Å
1891L87.1Confident87.1Confident78 Ų7826.3 Ų26.341%0.40815%0.152SC..THydrogen-bonded Turntrans54.939.2-178.5-52178000113.8C1889 Y1937 F1994 N1995 E1998C1889-L1891 PolarHBondContact O-N 3.46Å; C1889-L1891 VanDerWaalsContact O-N 3.12Å; L1891-Y1937 HydrophobicContact CD2-CD1 3.82Å; L1891-Y1937 HydrophobicContact CD2-CE1 3.73Å; L1891-F1994 HydrophobicContact CD2-CE2 4.33Å; L1891-N1995 HydrophobicContact CD1-CB 4.26Å; L1891-E1998 HydrophobicContact CD1-CG 4.22Å; L1891-E1998 HydrophobicContact CD2-CG 4.22Å
1892N88.5Confident85.9Confident34 Ų3428.4 Ų28.418%0.18217%0.174CC..  trans-142.698.3-179.4-167.9-56.9000112.2Q1708 C1889 V1890 D1894 N1895 Q1896Q1708-N1892 PolarHBondContact OE1-ND2 2.92Å; C1889-N1892 PolarHBondContact O-N 3.16Å; C1889-N1892 VanDerWaalsContact O-N 3.1Å; V1890-N1892 VanDerWaalsContact C-N 3.31Å; V1890-N1892 PolarHBondContact O-N 3.3Å; N1892-D1894 VanDerWaalsContact C-N 3.3Å; N1892-D1894 PolarHBondContact O-N 3.28Å; N1892-D1894 PolarHBondContact OD1-N 3.49Å; N1892-N1895 HydrophobicContact CB-CB 4.22Å; N1892-N1895 PolarHBondContact O-N 3.23Å; N1892-N1895 WeakPolarHBondContact OD1-CB 3.27Å; N1892-N1895 PolarHBondContact OD1-N 2.75Å; N1892-Q1896 WeakPolarHBondContact O-CB 3.31Å; N1892-Q1896 VanDerWaalsContact O-CG 3.26Å; N1892-Q1896 WeakPolarHBondContact O-CG 3.39Å; N1892-Q1896 PolarHBondContact O-N 3.45Å
1893S87.5Confident84.8Confident69 Ų6933.8 Ų33.848%0.48321%0.209SC..Hα-helixtrans-55.4-39.9-177.249.20000114.1Q1896 T1897S1893-Q1896 PolarHBondContact O-N 3.03Å; S1893-T1897 WeakPolarHBondContact O-CB 3.39Å; S1893-T1897 PolarHBondContact O-N 3.02Å; S1893-T1897 PolarHBondContact O-OG1 2.85Å
1894D84.9Confident83.7Confident118 Ų11838.6 Ų38.663%0.63124%0.242SC*.Hα-helixtrans-75.4-43-170.5-55.3-3.5000109.4N1892 T1897 S1898N1892-D1894 VanDerWaalsContact C-N 3.3Å; N1892-D1894 PolarHBondContact O-N 3.28Å; N1892-D1894 PolarHBondContact OD1-N 3.49Å; D1894-T1897 WeakPolarHBondContact O-CB 3.23Å; D1894-T1897 PolarHBondContact O-N 2.85Å; D1894-S1898 PolarHBondContact O-N 2.73Å
1895N85.8Confident83Confident9 Ų941.4 Ų41.45%0.04826%0.261CS..Hα-helixtrans-67.6-38.6172.5-74.6-13.8000111.9Q1708 L1888 N1892 T1897 S1898 L1899Q1708-N1895 PolarHBondContact O-ND2 2.74Å; L1888-N1895 HydrophobicContact CG-CB 4.22Å; L1888-N1895 WeakPolarHBondContact O-CB 3.32Å; L1888-N1895 PolarHBondContact O-ND2 2.83Å; N1892-N1895 HydrophobicContact CB-CB 4.22Å; N1892-N1895 PolarHBondContact O-N 3.23Å; N1892-N1895 WeakPolarHBondContact OD1-CB 3.27Å; N1892-N1895 PolarHBondContact OD1-N 2.75Å; N1895-T1897 VanDerWaalsContact C-N 3.33Å; N1895-T1897 PolarHBondContact O-N 3.38Å; N1895-S1898 WeakPolarHBondContact O-CB 3.25Å; N1895-S1898 PolarHBondContact O-N 3.2Å; N1895-S1898 PolarHBondContact O-OG 3Å; N1895-L1899 PolarHBondContact O-N 3.31Å
1896Q89.5Confident82.6Confident9 Ų942 Ų424%0.04226%0.264CS..Hα-helixtrans-60-41.1171.7-75.3172.8-24.600112.1C1889 N1892 S1893 L1899 A1934 Y1937 H1939 N1942C1889-Q1896 HydrophobicContact CB-CG 3.9Å; C1889-Q1896 WeakPolarHBondContact O-CG 3.27Å; N1892-Q1896 WeakPolarHBondContact O-CB 3.31Å; N1892-Q1896 VanDerWaalsContact O-CG 3.26Å; N1892-Q1896 WeakPolarHBondContact O-CG 3.39Å; N1892-Q1896 PolarHBondContact O-N 3.45Å; S1893-Q1896 PolarHBondContact O-N 3.03Å; Q1896-L1899 WeakPolarHBondContact O-CB 3.38Å; Q1896-L1899 WeakPolarHBondContact O-CG 3.17Å; Q1896-L1899 PolarHBondContact O-N 2.73Å; Q1896-A1934 PolarHBondContact NE2-O 3.21Å; Q1896-Y1937 PolarHBondContact NE2-O 2.76Å; Q1896-H1939 HydrophobicContact CB-CB 4.45Å; Q1896-H1939 VanDerWaalsContact CB-CD2 3.42Å; Q1896-H1939 WeakPolarHBondContact CB-CD2 3.14Å; Q1896-H1939 PolarHBondContact OE1-CD2 3.12Å; Q1896-N1942 PolarHBondContact O-ND2 3.03Å
1897T84.7Confident82.3Confident68 Ų6842.2 Ų42.242%0.41727%0.265SS..Hα-helixtrans-63.1-42.2174.8-59.20000110.8S1893 D1894 N1895 L1899 Q1900 H1939S1893-T1897 WeakPolarHBondContact O-CB 3.39Å; S1893-T1897 PolarHBondContact O-N 3.02Å; S1893-T1897 PolarHBondContact O-OG1 2.85Å; D1894-T1897 WeakPolarHBondContact O-CB 3.23Å; D1894-T1897 PolarHBondContact O-N 2.85Å; N1895-T1897 VanDerWaalsContact C-N 3.33Å; N1895-T1897 PolarHBondContact O-N 3.38Å; T1897-L1899 PolarHBondContact O-N 3.03Å; T1897-L1899 VanDerWaalsContact O-N 3.1Å; T1897-Q1900 PolarHBondContact O-N 3.05Å; T1897-H1939 PolarHBondContact N-NE2 3.46Å; T1897-H1939 PolarHBondContact OG1-NE2 2.75Å; T1897-H1939 VanDerWaalsContact OG1-NE2 3.15Å
1898S81Confident82.2Confident23 Ų2341.7 Ų41.716%0.16126%0.263CS..Hα-helixtrans-59.1-25-177.783.60000114.2D1894 N1895 Q1900 C1901D1894-S1898 PolarHBondContact O-N 2.73Å; N1895-S1898 WeakPolarHBondContact O-CB 3.25Å; N1895-S1898 PolarHBondContact O-N 3.2Å; N1895-S1898 PolarHBondContact O-OG 3Å; S1898-Q1900 PolarHBondContact O-N 2.74Å; S1898-C1901 PolarHBondContact O-N 2.7Å
1899L81.3Confident82.2Confident1 Ų144 Ų441%0.00527%0.273CS..THydrogen-bonded Turntrans-59.2-30.4175.6-62.6-179.1000113.2I1885 N1895 Q1896 T1897 L1907 L1908 C1935I1885-L1899 HydrophobicContact CG2-CD2 4.09Å; N1895-L1899 PolarHBondContact O-N 3.31Å; Q1896-L1899 WeakPolarHBondContact O-CB 3.38Å; Q1896-L1899 WeakPolarHBondContact O-CG 3.17Å; Q1896-L1899 PolarHBondContact O-N 2.73Å; T1897-L1899 PolarHBondContact O-N 3.03Å; T1897-L1899 VanDerWaalsContact O-N 3.1Å; L1899-L1907 HydrophobicContact CD2-CB 4.4Å; L1899-L1907 HydrophobicContact CD2-CD2 3.78Å; L1899-L1907 HydrophobicContact CD2-CG 4.11Å; L1899-L1907 PolarHBondContact O-N 2.77Å; L1899-L1908 HydrophobicContact CB-CB 4.5Å; L1899-C1935 HydrophobicContact CD1-CB 3.71Å; L1899-C1935 VanDerWaalsContact CD1-SG 3.57Å
1900Q77.6Confident82.1Confident46 Ų4646.7 Ų46.722%0.21528%0.283CS..THydrogen-bonded Turntrans-83.2-23.3-178.8-59.3-142.9-100113T1897 S1898 G1902 L1941 N1942T1897-Q1900 PolarHBondContact O-N 3.05Å; S1898-Q1900 PolarHBondContact O-N 2.74Å; Q1900-G1902 PolarHBondContact O-N 3.44Å; Q1900-L1941 VanDerWaalsContact NE2-C 3.31Å; Q1900-L1941 PolarHBondContact NE2-O 3.46Å; Q1900-N1942 VanDerWaalsContact CG-OD1 3.29Å; Q1900-N1942 WeakPolarHBondContact CG-OD1 3.39Å; Q1900-N1942 PolarHBondContact NE2-OD1 3.47Å
1901C72.7Confident82Confident66 Ų6646.6 Ų46.645%0.44628%0.283SS..  trans-69.4115.6-175.9-59.40000111.3R1721 S1898R1721-C1901 WeakPolarHBondContact CD-O 3.17Å; R1721-C1901 PolarHBondContact NH1-O 3.08Å; S1898-C1901 PolarHBondContact O-N 2.7Å
1902G67.6Low82Confident44 Ų4443.7 Ų43.745%0.45427%0.267SS..SBendtrans145.5176.3174.400000112.6Q1900Q1900-G1902 PolarHBondContact O-N 3.44Å
1903P71.5Confident81.9Confident112 Ų11245.6 Ų45.673%0.72728%0.283SS*.SBendtrans-67139.4171.229.2-34000110.7P1905P1903-P1905 CarbonylContact O-C 3.56Å
1904S68.2Low82Confident101 Ų10142.9 Ų42.971%0.70626%0.263SS*.SBendtrans-65.8142.8175.255.40000111.8
1905P75.3Confident82.1Confident63 Ų6338.6 Ų38.641%0.40924%0.242SC..SBendcis-74.5131-0.926.9-31.6000112.3P1903 Q1909 R1910P1903-P1905 CarbonylContact O-C 3.56Å; P1905-Q1909 VanDerWaalsContact CA-OE1 3.27Å; P1905-Q1909 HydrophobicContact CB-CB 3.83Å; P1905-R1910 VanDerWaalsContact O-CD 3.28Å; P1905-R1910 WeakPolarHBondContact O-CD 3.27Å; P1905-R1910 PolarHBondContact O-NH1 3.09Å
1906N85.2Confident82.2Confident14 Ų1445.2 Ų45.28%0.07527%0.271CS..  trans-73-176.5-179.368.426.7000112.3L1908 Q1909 R1910N1906-L1908 PolarHBondContact O-N 2.71Å; N1906-L1908 PolarHBondContact OD1-N 3.4Å; N1906-Q1909 PolarHBondContact O-N 3.21Å; N1906-Q1909 WeakPolarHBondContact OD1-CB 3.36Å; N1906-Q1909 WeakPolarHBondContact OD1-CG 3.26Å; N1906-Q1909 PolarHBondContact OD1-N 2.96Å; N1906-R1910 WeakPolarHBondContact O-CB 3.36Å; N1906-R1910 WeakPolarHBondContact O-CD 3.43Å; N1906-R1910 PolarHBondContact O-N 2.97Å
1907L83.4Confident82.1Confident5 Ų550 Ų503%0.02629%0.293CS..Hα-helixtrans-66.9-36.7-173.7-17752.3000112.2L1724 I1725 L1728 I1885 L1899 R1910 L1911L1724-L1907 HydrophobicContact CB-CD1 4.3Å; L1724-L1907 HydrophobicContact CB-CD2 4.38Å; L1724-L1907 HydrophobicContact CD1-CD2 4.43Å; I1725-L1907 HydrophobicContact CG1-CB 4.32Å; I1725-L1907 HydrophobicContact CG1-CD1 3.96Å; L1728-L1907 HydrophobicContact CD1-CD1 3.57Å; I1885-L1907 HydrophobicContact CD1-CD1 3.95Å; I1885-L1907 HydrophobicContact CD1-CG 4.37Å; I1885-L1907 HydrophobicContact CG1-CD2 4.46Å; L1899-L1907 HydrophobicContact CD2-CB 4.4Å; L1899-L1907 HydrophobicContact CD2-CD2 3.78Å; L1899-L1907 HydrophobicContact CD2-CG 4.11Å; L1899-L1907 PolarHBondContact O-N 2.77Å; L1907-R1910 WeakPolarHBondContact O-CB 3.48Å; L1907-R1910 PolarHBondContact O-N 2.73Å; L1907-L1911 PolarHBondContact O-N 2.8Å
1908L86.9Confident82.4Confident0 Ų047.3 Ų47.30%028%0.275CS..Hα-helixtrans-67.3-46.7174.1-179.358.8000111.5L1899 N1906 R1910 L1911 L1912 L1932 C1935 N1942 V1945L1899-L1908 HydrophobicContact CB-CB 4.5Å; N1906-L1908 PolarHBondContact O-N 2.71Å; N1906-L1908 PolarHBondContact OD1-N 3.4Å; L1908-R1910 PolarHBondContact O-N 2.84Å; L1908-L1911 WeakPolarHBondContact O-CB 3.24Å; L1908-L1911 PolarHBondContact O-N 3.33Å; L1908-L1912 WeakPolarHBondContact O-CG 3.38Å; L1908-L1912 PolarHBondContact O-N 3.34Å; L1908-L1932 HydrophobicContact CD1-CD2 4.47Å; L1908-C1935 HydrophobicContact CD1-CB 4.27Å; L1908-N1942 HydrophobicContact CD2-CB 3.78Å; L1908-V1945 HydrophobicContact CD2-CB 4.08Å; L1908-V1945 HydrophobicContact CD2-CG1 3.94Å; L1908-V1945 HydrophobicContact CG-CG1 4.21Å
1909Q87.1Confident82.8Confident63 Ų6347.9 Ų47.929%0.29428%0.275SS..Hα-helixtrans-60.8-34.2175.4-71.5168.2-25.400112P1905 N1906 L1912 S1913 V1945P1905-Q1909 VanDerWaalsContact CA-OE1 3.27Å; P1905-Q1909 HydrophobicContact CB-CB 3.83Å; N1906-Q1909 PolarHBondContact O-N 3.21Å; N1906-Q1909 WeakPolarHBondContact OD1-CB 3.36Å; N1906-Q1909 WeakPolarHBondContact OD1-CG 3.26Å; N1906-Q1909 PolarHBondContact OD1-N 2.96Å; Q1909-L1912 PolarHBondContact O-N 3.19Å; Q1909-S1913 PolarHBondContact O-N 2.94Å; Q1909-S1913 PolarHBondContact O-OG 2.94Å; Q1909-V1945 HydrophobicContact CG-CG1 3.77Å
1910R87.5Confident83.1Confident56 Ų5650.6 Ų50.621%0.21129%0.294CS..Hα-helixtrans-60.7-43.8170.8-11083.8176.5-148-7.9112.1L1728 T1729 P1905 N1906 L1907 L1908 S1913L1728-R1910 HydrophobicContact CB-CG 4.41Å; L1728-R1910 HydrophobicContact CD1-CB 3.86Å; L1728-R1910 HydrophobicContact CD1-CG 4.47Å; T1729-R1910 PolarHBondContact OG1-NH2 2.72Å; T1729-R1910 VanDerWaalsContact OG1-NH2 3.15Å; P1905-R1910 VanDerWaalsContact O-CD 3.28Å; P1905-R1910 WeakPolarHBondContact O-CD 3.27Å; P1905-R1910 PolarHBondContact O-NH1 3.09Å; N1906-R1910 WeakPolarHBondContact O-CB 3.36Å; N1906-R1910 WeakPolarHBondContact O-CD 3.43Å; N1906-R1910 PolarHBondContact O-N 2.97Å; L1907-R1910 WeakPolarHBondContact O-CB 3.48Å; L1907-R1910 PolarHBondContact O-N 2.73Å; L1908-R1910 PolarHBondContact O-N 2.84Å; R1910-S1913 WeakPolarHBondContact CA-OG 3.42Å; R1910-S1913 PolarHBondContact O-N 3.3Å; R1910-S1913 PolarHBondContact O-OG 2.92Å
1911L88.4Confident83.6Confident0 Ų053.8 Ų53.80%031%0.305CS..Hα-helixtrans-65.6-36175.6-74.5175.8000112.8L1728 I1882 I1885 L1907 L1908 S1913 L1914 L1928 T1931 L1932L1728-L1911 HydrophobicContact CD1-CD2 4.16Å; L1728-L1911 HydrophobicContact CD1-CG 4.36Å; L1728-L1911 HydrophobicContact CD2-CD2 4.37Å; I1882-L1911 HydrophobicContact CG1-CD2 4.03Å; I1885-L1911 HydrophobicContact CD1-CD1 4.1Å; I1885-L1911 HydrophobicContact CD1-CD2 4.03Å; I1885-L1911 HydrophobicContact CD1-CG 4.25Å; I1885-L1911 HydrophobicContact CG2-CD1 3.91Å; L1907-L1911 PolarHBondContact O-N 2.8Å; L1908-L1911 WeakPolarHBondContact O-CB 3.24Å; L1908-L1911 PolarHBondContact O-N 3.33Å; L1911-S1913 VanDerWaalsContact C-N 3.27Å; L1911-S1913 PolarHBondContact O-N 3.12Å; L1911-L1914 HydrophobicContact CD2-CD1 4.09Å; L1911-L1914 WeakPolarHBondContact O-CB 3.48Å; L1911-L1914 WeakPolarHBondContact O-CD1 3.36Å; L1911-L1914 WeakPolarHBondContact O-CG 3.36Å; L1911-L1914 PolarHBondContact O-N 2.89Å; L1911-L1928 HydrophobicContact CD2-CD1 4.41Å; L1911-T1931 HydrophobicContact CD1-CG2 4.03Å; L1911-L1932 HydrophobicContact CB-CD2 4.46Å
1912L86.9Confident84.2Confident16 Ų1653.1 Ų53.18%0.08430%0.301CS..Hα-helixtrans-69.8-25.5175-60.6175.1000112.3L1908 Q1909 L1914 F1919 L1932 V1945 L1946 E1949L1908-L1912 WeakPolarHBondContact O-CG 3.38Å; L1908-L1912 PolarHBondContact O-N 3.34Å; Q1909-L1912 PolarHBondContact O-N 3.19Å; L1912-L1914 VanDerWaalsContact C-N 3.29Å; L1912-L1914 PolarHBondContact O-N 2.79Å; L1912-F1919 WeakPolarHBondContact O-CZ 3.43Å; L1912-L1932 HydrophobicContact CD2-CD2 4.04Å; L1912-V1945 HydrophobicContact CD1-CG1 4.3Å; L1912-V1945 WeakPolarHBondContact CD1-O 3.44Å; L1912-L1946 HydrophobicContact CD2-CD1 3.65Å; L1912-E1949 HydrophobicContact CB-CB 4.35Å; L1912-E1949 HydrophobicContact CB-CG 4.34Å; L1912-E1949 HydrophobicContact CD1-CB 4.46Å; L1912-E1949 HydrophobicContact CD1-CG 4.47Å
1913S86.6Confident85Confident74 Ų7452.4 Ų52.452%0.51729%0.288SS..THydrogen-bonded Turntrans-83.814.5175.571.80000115.7Q1909 R1910 L1911Q1909-S1913 PolarHBondContact O-N 2.94Å; Q1909-S1913 PolarHBondContact O-OG 2.94Å; R1910-S1913 WeakPolarHBondContact CA-OG 3.42Å; R1910-S1913 PolarHBondContact O-N 3.3Å; R1910-S1913 PolarHBondContact O-OG 2.92Å; L1911-S1913 VanDerWaalsContact C-N 3.27Å; L1911-S1913 PolarHBondContact O-N 3.12Å
1914L90Very high85.9Confident12 Ų1248.5 Ų48.56%0.06326%0.261CS..SBendtrans-66.6159.8177-74.8173.7000112.6V1732 L1878 I1882 L1911 L1912 Y1918 F1919 L1928V1732-L1914 HydrophobicContact CG2-CD2 3.67Å; L1878-L1914 HydrophobicContact CD1-CD2 4.04Å; L1878-L1914 HydrophobicContact CD2-CD2 4.37Å; I1882-L1914 HydrophobicContact CD1-CD1 3.83Å; I1882-L1914 HydrophobicContact CG1-CD1 4.37Å; L1911-L1914 HydrophobicContact CD2-CD1 4.09Å; L1911-L1914 WeakPolarHBondContact O-CB 3.48Å; L1911-L1914 WeakPolarHBondContact O-CD1 3.36Å; L1911-L1914 WeakPolarHBondContact O-CG 3.36Å; L1911-L1914 PolarHBondContact O-N 2.89Å; L1912-L1914 VanDerWaalsContact C-N 3.29Å; L1912-L1914 PolarHBondContact O-N 2.79Å; L1914-Y1918 HydrophobicContact CB-CD2 4.38Å; L1914-Y1918 HydrophobicContact CB-CG 4.45Å; L1914-Y1918 HydrophobicContact CD1-CG 4.45Å; L1914-F1919 HydrophobicContact CB-CE2 3.96Å; L1914-F1919 HydrophobicContact CB-CZ 4.48Å; L1914-L1928 HydrophobicContact CD1-CD1 3.74Å; L1914-L1928 HydrophobicContact CD1-CD2 3.98Å; L1914-L1928 HydrophobicContact CD1-CG 4.45Å
1915P88.1Confident86.9Confident29 Ų2945.4 Ų45.419%0.18824%0.235CC..  trans-56.4145.8176.2-2534.8000113V1732 E1917 Y1918V1732-P1915 HydrophobicContact CG1-CG 4.26Å; P1915-E1917 WeakPolarHBondContact CB-OE2 3.14Å; P1915-E1917 PolarHBondContact O-N 2.86Å; P1915-Y1918 HydrophobicContact CB-CD2 4.34Å; P1915-Y1918 HydrophobicContact CG-CD2 4.41Å; P1915-Y1918 WeakPolarHBondContact O-CB 3.19Å; P1915-Y1918 PolarHBondContact O-N 3.23Å
1916F86.1Confident87.6Confident148 Ų14843.7 Ų43.765%0.64922%0.222SC*.THydrogen-bonded Turntrans-56.7-26.4-174.1178.3-104.3000113.5Y1918 F1919 S1920F1916-Y1918 PolarHBondContact O-N 3.38Å; F1916-F1919 CarbonylContact O-C 3.55Å; F1916-F1919 PolarHBondContact O-N 3.21Å; F1916-S1920 WeakPolarHBondContact CD1-OG 3.16Å; F1916-S1920 VanDerWaalsContact CE1-CB 3.49Å; F1916-S1920 VanDerWaalsContact CE1-OG 3.3Å; F1916-S1920 WeakPolarHBondContact CE1-OG 3Å; F1916-S1920 WeakPolarHBondContact O-CB 3.26Å; F1916-S1920 PolarHBondContact O-N 2.91Å; F1916-S1920 VanDerWaalsContact O-N 3.12Å; F1916-S1920 PolarHBondContact O-OG 3.47Å
1917E88.4Confident87.8Confident108 Ų10843 Ų4351%0.50522%0.219SC..Hα-helixtrans-54.3-38.7173.4-64.675.5-169.600112P1915 F1919 S1920 Y1921 L1924P1915-E1917 WeakPolarHBondContact CB-OE2 3.14Å; P1915-E1917 PolarHBondContact O-N 2.86Å; E1917-F1919 PolarHBondContact O-N 2.82Å; E1917-S1920 PolarHBondContact O-N 3.21Å; E1917-Y1921 WeakPolarHBondContact O-CB 3.15Å; E1917-Y1921 PolarHBondContact O-N 2.74Å; E1917-L1924 HydrophobicContact CB-CD1 3.91Å
1918Y90.1Very high88.4Confident12 Ų1242.8 Ų42.85%0.04722%0.218CC..Hα-helixtrans-68.1-19.9176.5-76.9-92.3000114.1L1878 H1879 I1882 L1914 P1915 F1916 L1924 L1928L1878-Y1918 HydrophobicContact CD2-CE2 4.07Å; L1878-Y1918 VanDerWaalsContact CD2-OH 3.3Å; L1878-Y1918 WeakPolarHBondContact CD2-OH 3.36Å; L1878-Y1918 WeakPolarHBondContact CG-OH 3.24Å; H1879-Y1918 AromaticContact CE1-CZ 3.93Å; H1879-Y1918 PolarHBondContact CE1-OH 2.79Å; H1879-Y1918 AromaticContact ND1-CE1 3.91Å; H1879-Y1918 AromaticContact ND1-CZ 3.96Å; H1879-Y1918 PolarHBondContact ND1-OH 3.26Å; H1879-Y1918 VanDerWaalsContact ND1-OH 3.13Å; I1882-Y1918 HydrophobicContact CD1-CD1 4.11Å; I1882-Y1918 HydrophobicContact CD1-CE1 3.6Å; L1914-Y1918 HydrophobicContact CB-CD2 4.38Å; L1914-Y1918 HydrophobicContact CB-CG 4.45Å; L1914-Y1918 HydrophobicContact CD1-CG 4.45Å; P1915-Y1918 HydrophobicContact CB-CD2 4.34Å; P1915-Y1918 HydrophobicContact CG-CD2 4.41Å; P1915-Y1918 WeakPolarHBondContact O-CB 3.19Å; P1915-Y1918 PolarHBondContact O-N 3.23Å; F1916-Y1918 PolarHBondContact O-N 3.38Å; Y1918-L1924 HydrophobicContact CD1-CB 3.94Å; Y1918-L1924 HydrophobicContact CD1-CD2 4.32Å; Y1918-L1924 HydrophobicContact CD2-CD1 4.42Å; Y1918-L1924 HydrophobicContact CE1-CB 4.42Å; Y1918-L1924 HydrophobicContact CE1-CD2 3.94Å; Y1918-L1924 HydrophobicContact CG-CB 4.27Å; Y1918-L1924 HydrophobicContact CG-CD1 4.45Å; Y1918-L1928 HydrophobicContact CD1-CB 4.36Å
1919F91Very high88.7Confident35 Ų3543.2 Ų43.215%0.15422%0.22CC..Hα-helixtrans-101.5-5.4178.1-61.2-86.5000113L1912 L1914 F1916 E1917 Q1925 L1928 Y1929 L1932 L1950L1912-F1919 WeakPolarHBondContact O-CZ 3.43Å; L1914-F1919 HydrophobicContact CB-CE2 3.96Å; L1914-F1919 HydrophobicContact CB-CZ 4.48Å; F1916-F1919 CarbonylContact O-C 3.55Å; F1916-F1919 PolarHBondContact O-N 3.21Å; E1917-F1919 PolarHBondContact O-N 2.82Å; F1919-Q1925 PolarHBondContact O-NE2 3.44Å; F1919-L1928 HydrophobicContact CD1-CD2 4.19Å; F1919-L1928 HydrophobicContact CE1-CD2 3.73Å; F1919-L1928 HydrophobicContact CE2-CD2 4.16Å; F1919-L1928 HydrophobicContact CZ-CD2 3.71Å; F1919-Y1929 HydrophobicContact CD1-CE1 4.24Å; F1919-Y1929 PolarHBondContact O-OH 2.8Å; F1919-Y1929 VanDerWaalsContact O-OH 3.06Å; F1919-L1932 HydrophobicContact CE1-CD1 4.44Å; F1919-L1950 HydrophobicContact CD1-CD1 4.26Å; F1919-L1950 HydrophobicContact CD1-CD2 4.33Å; F1919-L1950 HydrophobicContact CE1-CD2 4.3Å
1920S87.4Confident89.1Confident58 Ų5840.3 Ų40.341%0.40621%0.206SC..Hα-helixtrans-134.3-18.4-17059.30000115.9F1916 E1917F1916-S1920 WeakPolarHBondContact CD1-OG 3.16Å; F1916-S1920 VanDerWaalsContact CE1-CB 3.49Å; F1916-S1920 VanDerWaalsContact CE1-OG 3.3Å; F1916-S1920 WeakPolarHBondContact CE1-OG 3Å; F1916-S1920 WeakPolarHBondContact O-CB 3.26Å; F1916-S1920 PolarHBondContact O-N 2.91Å; F1916-S1920 VanDerWaalsContact O-N 3.12Å; F1916-S1920 PolarHBondContact O-OG 3.47Å; E1917-S1920 PolarHBondContact O-N 3.21Å
1921Y86.6Confident89.4Confident113 Ų11337.6 Ų37.644%0.44320%0.196SC..SBendtrans-104.1116176.1-173.2-127.5000110.3E1917 P1923 L1924 Q1925 E1982E1917-Y1921 WeakPolarHBondContact O-CB 3.15Å; E1917-Y1921 PolarHBondContact O-N 2.74Å; Y1921-P1923 HydrophobicContact CD1-CB 4.19Å; Y1921-P1923 HydrophobicContact CD1-CG 4.13Å; Y1921-P1923 HydrophobicContact CE1-CB 3.86Å; Y1921-P1923 HydrophobicContact CE1-CG 3.61Å; Y1921-P1923 HydrophobicContact CE2-CG 4.26Å; Y1921-L1924 HydrophobicContact CD1-CD1 4.23Å; Y1921-L1924 HydrophobicContact CD1-CG 4.09Å; Y1921-L1924 WeakPolarHBondContact O-CA 3.28Å; Y1921-L1924 PolarHBondContact O-N 2.85Å; Y1921-Q1925 PolarHBondContact O-N 3.22Å; Y1921-E1982 PolarHBondContact OH-OE2 2.7Å
1922C86.2Confident89.6Confident53 Ų5337.6 Ų37.636%0.35820%0.196SC..Hα-helixtrans-48.2-46.5-172.5172.50000114.7L1924 Q1925 N1926C1922-L1924 VanDerWaalsContact C-N 3.29Å; C1922-L1924 PolarHBondContact O-N 2.73Å; C1922-Q1925 VanDerWaalsContact CA-OE1 3.31Å; C1922-Q1925 WeakPolarHBondContact O-CB 3.44Å; C1922-Q1925 PolarHBondContact O-N 2.74Å; C1922-N1926 PolarHBondContact O-N 2.89Å; C1922-N1926 PolarHBondContact O-ND2 3.32Å
1923P84.9Confident90Very high28 Ų2836.9 Ų36.918%0.18219%0.192CC..Hα-helixtrans-56.9-36.3174.5-29.137.8000114.4Y1921 L1984Y1921-P1923 HydrophobicContact CD1-CB 4.19Å; Y1921-P1923 HydrophobicContact CD1-CG 4.13Å; Y1921-P1923 HydrophobicContact CE1-CB 3.86Å; Y1921-P1923 HydrophobicContact CE1-CG 3.61Å; Y1921-P1923 HydrophobicContact CE2-CG 4.26Å; P1923-L1984 HydrophobicContact CB-CD1 4.02Å; P1923-L1984 WeakPolarHBondContact O-CD1 3.42Å
1924L89.2Confident90.4Very high30 Ų3033.4 Ų33.416%0.15717%0.168CC..Hα-helixtrans-82.2-29.8177-64.4174.9000112.8E1917 Y1918 Y1921 C1922 N1926 I1927 L1928E1917-L1924 HydrophobicContact CB-CD1 3.91Å; Y1918-L1924 HydrophobicContact CD1-CB 3.94Å; Y1918-L1924 HydrophobicContact CD1-CD2 4.32Å; Y1918-L1924 HydrophobicContact CD2-CD1 4.42Å; Y1918-L1924 HydrophobicContact CE1-CB 4.42Å; Y1918-L1924 HydrophobicContact CE1-CD2 3.94Å; Y1918-L1924 HydrophobicContact CG-CB 4.27Å; Y1918-L1924 HydrophobicContact CG-CD1 4.45Å; Y1921-L1924 HydrophobicContact CD1-CD1 4.23Å; Y1921-L1924 HydrophobicContact CD1-CG 4.09Å; Y1921-L1924 WeakPolarHBondContact O-CA 3.28Å; Y1921-L1924 PolarHBondContact O-N 2.85Å; C1922-L1924 VanDerWaalsContact C-N 3.29Å; C1922-L1924 PolarHBondContact O-N 2.73Å; L1924-N1926 VanDerWaalsContact C-N 3.27Å; L1924-N1926 PolarHBondContact O-N 3.1Å; L1924-I1927 HydrophobicContact CD2-CD1 4.13Å; L1924-I1927 WeakPolarHBondContact O-CB 3.28Å; L1924-I1927 PolarHBondContact O-N 3.16Å; L1924-L1928 PolarHBondContact O-N 2.91Å
1925Q90.6Very high90.5Very high36 Ų3632.8 Ų32.817%0.16817%0.165CC..Hα-helixtrans-59.8-40.7168.8-67171.4-32.900110.4F1919 Y1921 C1922 I1927 L1928 Y1929F1919-Q1925 PolarHBondContact O-NE2 3.44Å; Y1921-Q1925 PolarHBondContact O-N 3.22Å; C1922-Q1925 VanDerWaalsContact CA-OE1 3.31Å; C1922-Q1925 WeakPolarHBondContact O-CB 3.44Å; C1922-Q1925 PolarHBondContact O-N 2.74Å; Q1925-I1927 PolarHBondContact O-N 3.39Å; Q1925-I1927 VanDerWaalsContact O-N 3.17Å; Q1925-L1928 PolarHBondContact O-N 2.67Å; Q1925-Y1929 HydrophobicContact CB-CD1 4.4Å; Q1925-Y1929 HydrophobicContact CB-CD2 4.02Å; Q1925-Y1929 HydrophobicContact CB-CE1 4.34Å; Q1925-Y1929 HydrophobicContact CB-CE2 3.97Å; Q1925-Y1929 HydrophobicContact CB-CG 4.25Å; Q1925-Y1929 HydrophobicContact CG-CD2 4.46Å; Q1925-Y1929 HydrophobicContact CG-CE1 4.08Å; Q1925-Y1929 HydrophobicContact CG-CE2 3.91Å; Q1925-Y1929 PolarHBondContact NE2-OH 3.49Å; Q1925-Y1929 WeakPolarHBondContact O-CB 3.33Å; Q1925-Y1929 PolarHBondContact O-N 3.1Å
1926N89.3Confident90.7Very high27 Ų2731.4 Ų31.414%0.14416%0.156CC..Hα-helixtrans-61.3-20.5173.3-70.3-32.2000114C1922 L1924 P1930 Y1958C1922-N1926 PolarHBondContact O-N 2.89Å; C1922-N1926 PolarHBondContact O-ND2 3.32Å; L1924-N1926 VanDerWaalsContact C-N 3.27Å; L1924-N1926 PolarHBondContact O-N 3.1Å; N1926-P1930 WeakPolarHBondContact O-CD 3.18Å; N1926-P1930 WeakPolarHBondContact O-CG 3.37Å; N1926-Y1958 VanDerWaalsContact OD1-CE2 3.26Å; N1926-Y1958 WeakPolarHBondContact OD1-CE2 3.18Å; N1926-Y1958 PolarHBondContact OD1-OH 2.79Å
1927I90.1Very high91.1Very high0 Ų024.8 Ų24.80%013%0.126CC..Hα-helixtrans-86.5-47172.6-54.8-175.9000110.7H1879 I1882 L1924 Q1925 L1984 F1988H1879-I1927 HydrophobicContact CB-CD1 4.21Å; H1879-I1927 HydrophobicContact CB-CG2 4.37Å; I1882-I1927 HydrophobicContact CB-CG2 4.19Å; I1882-I1927 HydrophobicContact CD1-CG2 4.49Å; I1882-I1927 HydrophobicContact CG2-CG2 3.95Å; I1882-I1927 WeakPolarHBondContact CG2-O 3.26Å; L1924-I1927 HydrophobicContact CD2-CD1 4.13Å; L1924-I1927 WeakPolarHBondContact O-CB 3.28Å; L1924-I1927 PolarHBondContact O-N 3.16Å; Q1925-I1927 PolarHBondContact O-N 3.39Å; Q1925-I1927 VanDerWaalsContact O-N 3.17Å; I1927-L1984 HydrophobicContact CD1-CD1 4.29Å; I1927-L1984 HydrophobicContact CD1-CD2 4.47Å; I1927-L1984 HydrophobicContact CG1-CD1 4.18Å; I1927-F1988 HydrophobicContact CB-CD1 4.14Å; I1927-F1988 HydrophobicContact CB-CE1 4.38Å; I1927-F1988 HydrophobicContact CD1-CD1 4.04Å; I1927-F1988 HydrophobicContact CD1-CE1 3.87Å; I1927-F1988 HydrophobicContact CD1-CZ 4.26Å; I1927-F1988 HydrophobicContact CG1-CD1 3.59Å; I1927-F1988 HydrophobicContact CG1-CE1 3.9Å; I1927-F1988 HydrophobicContact CG1-CG 4.14Å; I1927-F1988 HydrophobicContact CG2-CD1 3.9Å; I1927-F1988 HydrophobicContact CG2-CE1 3.75Å
1928L94.1Very high91.2Very high0 Ų026.1 Ų26.10%013%0.133CC..Hα-helixtrans-82.2-48-171.5179.159.3000114.1I1882 L1911 L1914 Y1918 F1919 L1924 Q1925 T1931 L1932I1882-L1928 HydrophobicContact CG2-CD1 4.24Å; L1911-L1928 HydrophobicContact CD2-CD1 4.41Å; L1914-L1928 HydrophobicContact CD1-CD1 3.74Å; L1914-L1928 HydrophobicContact CD1-CD2 3.98Å; L1914-L1928 HydrophobicContact CD1-CG 4.45Å; Y1918-L1928 HydrophobicContact CD1-CB 4.36Å; F1919-L1928 HydrophobicContact CD1-CD2 4.19Å; F1919-L1928 HydrophobicContact CE1-CD2 3.73Å; F1919-L1928 HydrophobicContact CE2-CD2 4.16Å; F1919-L1928 HydrophobicContact CZ-CD2 3.71Å; L1924-L1928 PolarHBondContact O-N 2.91Å; Q1925-L1928 PolarHBondContact O-N 2.67Å; L1928-T1931 WeakPolarHBondContact O-CA 3.32Å; L1928-T1931 WeakPolarHBondContact O-CB 3.45Å; L1928-T1931 PolarHBondContact O-N 2.91Å; L1928-L1932 HydrophobicContact CD1-CD1 4.3Å; L1928-L1932 HydrophobicContact CD1-CD2 4.21Å; L1928-L1932 HydrophobicContact CD1-CG 3.97Å; L1928-L1932 HydrophobicContact CD2-CD1 4.26Å; L1928-L1932 HydrophobicContact CG-CD1 3.92Å; L1928-L1932 HydrophobicContact CG-CG 4.05Å; L1928-L1932 PolarHBondContact O-N 2.91Å
1929Y95Very high91.3Very high10 Ų1026.6 Ų26.64%0.03914%0.135CC..Hα-helixtrans-62.9-40.2-170.4-69.85.6000112.9F1919 Q1925 T1931 L1932 I1933 I1954 L1955 Y1958F1919-Y1929 HydrophobicContact CD1-CE1 4.24Å; F1919-Y1929 PolarHBondContact O-OH 2.8Å; F1919-Y1929 VanDerWaalsContact O-OH 3.06Å; Q1925-Y1929 HydrophobicContact CB-CD1 4.4Å; Q1925-Y1929 HydrophobicContact CB-CD2 4.02Å; Q1925-Y1929 HydrophobicContact CB-CE1 4.34Å; Q1925-Y1929 HydrophobicContact CB-CE2 3.97Å; Q1925-Y1929 HydrophobicContact CB-CG 4.25Å; Q1925-Y1929 HydrophobicContact CG-CD2 4.46Å; Q1925-Y1929 HydrophobicContact CG-CE1 4.08Å; Q1925-Y1929 HydrophobicContact CG-CE2 3.91Å; Q1925-Y1929 PolarHBondContact NE2-OH 3.49Å; Q1925-Y1929 WeakPolarHBondContact O-CB 3.33Å; Q1925-Y1929 PolarHBondContact O-N 3.1Å; Y1929-T1931 VanDerWaalsContact C-N 3.26Å; Y1929-T1931 PolarHBondContact O-N 2.92Å; Y1929-L1932 HydrophobicContact CD1-CD1 4.26Å; Y1929-L1932 PolarHBondContact O-N 3.06Å; Y1929-L1932 VanDerWaalsContact O-N 3.16Å; Y1929-I1933 VanDerWaalsContact O-CG1 3.32Å; Y1929-I1933 WeakPolarHBondContact O-CG1 3.41Å; Y1929-I1933 PolarHBondContact O-N 3.41Å; Y1929-I1954 HydrophobicContact CE2-CG2 3.95Å; Y1929-L1955 HydrophobicContact CD1-CD2 4.27Å; Y1929-L1955 HydrophobicContact CD2-CD2 4.32Å; Y1929-L1955 HydrophobicContact CG-CD2 3.97Å; Y1929-Y1958 HydrophobicContact CD2-CD1 4.34Å; Y1929-Y1958 AromaticContact CD2-CD2 3.72Å; Y1929-Y1958 HydrophobicContact CD2-CD2 3.72Å; Y1929-Y1958 HydrophobicContact CD2-CE2 4.37Å; Y1929-Y1958 AromaticContact CD2-CG 3.7Å; Y1929-Y1958 HydrophobicContact CD2-CG 3.7Å; Y1929-Y1958 HydrophobicContact CG-CG 4.47Å
1930P94.4Very high91.1Very high1 Ų130.2 Ų30.21%0.00616%0.16CC..Hα-helixtrans-56.7-35.9170.3-3038.9000114.3N1926 A1934 Y1958 F1990 R1993N1926-P1930 WeakPolarHBondContact O-CD 3.18Å; N1926-P1930 WeakPolarHBondContact O-CG 3.37Å; P1930-A1934 WeakPolarHBondContact O-CB 3.16Å; P1930-A1934 PolarHBondContact O-N 2.82Å; P1930-Y1958 HydrophobicContact CG-CE1 4.14Å; P1930-F1990 HydrophobicContact CB-CD2 3.83Å; P1930-F1990 HydrophobicContact CB-CE2 4.32Å; P1930-F1990 HydrophobicContact CG-CB 4.48Å; P1930-F1990 HydrophobicContact CG-CD2 3.77Å; P1930-R1993 HydrophobicContact CB-CB 3.78Å; P1930-R1993 HydrophobicContact CB-CG 4.17Å
1931T93.4Very high91.1Very high0 Ų032 Ų320%017%0.165CC..Hα-helixtrans-73.1-39.7175.8-730000111.5I1882 I1885 G1886 L1911 L1928 Y1929 I1933 A1934 C1935 R1993I1882-T1931 HydrophobicContact CG2-CG2 4.2Å; I1882-T1931 WeakPolarHBondContact O-CG2 3.31Å; I1882-T1931 PolarHBondContact O-OG1 2.73Å; I1885-T1931 HydrophobicContact CB-CG2 4.17Å; I1885-T1931 HydrophobicContact CG2-CG2 4.15Å; G1886-T1931 WeakPolarHBondContact CA-OG1 3.36Å; L1911-T1931 HydrophobicContact CD1-CG2 4.03Å; L1928-T1931 WeakPolarHBondContact O-CA 3.32Å; L1928-T1931 WeakPolarHBondContact O-CB 3.45Å; L1928-T1931 PolarHBondContact O-N 2.91Å; Y1929-T1931 VanDerWaalsContact C-N 3.26Å; Y1929-T1931 PolarHBondContact O-N 2.92Å; T1931-I1933 PolarHBondContact O-N 3.5Å; T1931-A1934 PolarHBondContact O-N 2.7Å; T1931-C1935 WeakPolarHBondContact O-CB 3.25Å; T1931-C1935 PolarHBondContact O-N 2.74Å; T1931-C1935 PolarHBondContact O-SG 2.81Å; T1931-R1993 PolarHBondContact OG1-NH1 2.89Å
1932L94.1Very high91.3Very high0 Ų026.7 Ų26.70%014%0.144CC..Hα-helixtrans-63.1-41174.4-65.1178.7000112L1908 L1911 L1912 F1919 L1928 Y1929 C1935 C1936 L1950 L1955L1908-L1932 HydrophobicContact CD1-CD2 4.47Å; L1911-L1932 HydrophobicContact CB-CD2 4.46Å; L1912-L1932 HydrophobicContact CD2-CD2 4.04Å; F1919-L1932 HydrophobicContact CE1-CD1 4.44Å; L1928-L1932 HydrophobicContact CD1-CD1 4.3Å; L1928-L1932 HydrophobicContact CD1-CD2 4.21Å; L1928-L1932 HydrophobicContact CD1-CG 3.97Å; L1928-L1932 HydrophobicContact CD2-CD1 4.26Å; L1928-L1932 HydrophobicContact CG-CD1 3.92Å; L1928-L1932 HydrophobicContact CG-CG 4.05Å; L1928-L1932 PolarHBondContact O-N 2.91Å; Y1929-L1932 HydrophobicContact CD1-CD1 4.26Å; Y1929-L1932 PolarHBondContact O-N 3.06Å; Y1929-L1932 VanDerWaalsContact O-N 3.16Å; L1932-C1935 PolarHBondContact O-N 3.3Å; L1932-C1936 WeakPolarHBondContact O-CB 3.18Å; L1932-C1936 PolarHBondContact O-N 3.2Å; L1932-L1950 HydrophobicContact CD1-CD2 4.24Å; L1932-L1955 HydrophobicContact CB-CD1 4.08Å; L1932-L1955 HydrophobicContact CB-CD2 4.21Å; L1932-L1955 HydrophobicContact CD1-CD2 4.39Å
1933I95.1Very high91.5Very high0 Ų024.8 Ų24.80%013%0.131CC..Hα-helixtrans-57.6-51.3172.7-72162.3000110.2Y1929 T1931 C1935 C1936 Y1937 L1955 Y1958 I1959 F1990 F1994 F2006Y1929-I1933 VanDerWaalsContact O-CG1 3.32Å; Y1929-I1933 WeakPolarHBondContact O-CG1 3.41Å; Y1929-I1933 PolarHBondContact O-N 3.41Å; T1931-I1933 PolarHBondContact O-N 3.5Å; I1933-C1935 VanDerWaalsContact C-N 3.29Å; I1933-C1935 PolarHBondContact O-N 2.84Å; I1933-C1936 PolarHBondContact O-N 3.46Å; I1933-Y1937 VanDerWaalsContact O-CB 3.26Å; I1933-Y1937 WeakPolarHBondContact O-CB 3.21Å; I1933-Y1937 PolarHBondContact O-N 3.48Å; I1933-L1955 HydrophobicContact CG1-CB 4.14Å; I1933-L1955 HydrophobicContact CG1-CD1 4.21Å; I1933-L1955 HydrophobicContact CG1-CD2 4.42Å; I1933-L1955 HydrophobicContact CG1-CG 4.49Å; I1933-Y1958 HydrophobicContact CD1-CD1 3.91Å; I1933-Y1958 HydrophobicContact CD1-CE1 4.3Å; I1933-I1959 HydrophobicContact CD1-CD1 3.85Å; I1933-I1959 HydrophobicContact CD1-CG1 3.62Å; I1933-I1959 HydrophobicContact CG1-CD1 4.22Å; I1933-F1990 HydrophobicContact CD1-CE2 3.87Å; I1933-F1990 HydrophobicContact CD1-CZ 3.95Å; I1933-F1990 HydrophobicContact CG2-CE2 4.4Å; I1933-F1994 HydrophobicContact CG2-CD1 4.11Å; I1933-F1994 HydrophobicContact CG2-CD2 3.89Å; I1933-F1994 HydrophobicContact CG2-CE1 4.09Å; I1933-F1994 HydrophobicContact CG2-CE2 3.87Å; I1933-F1994 HydrophobicContact CG2-CG 4.02Å; I1933-F1994 HydrophobicContact CG2-CZ 3.98Å; I1933-F2006 HydrophobicContact CB-CE2 4.32Å; I1933-F2006 HydrophobicContact CG1-CE2 4.08Å; I1933-F2006 HydrophobicContact CG2-CE2 4.16Å
1934A93.2Very high91.6Very high1 Ų126 Ų261%0.00814%0.14CC..Hα-helixtrans-59.9-33.4177.400000114.1C1889 V1890 Q1896 P1930 T1931C1889-A1934 CarbonylContact C-O 3.59Å; V1890-A1934 HydrophobicContact CB-CB 3.79Å; Q1896-A1934 PolarHBondContact NE2-O 3.21Å; P1930-A1934 WeakPolarHBondContact O-CB 3.16Å; P1930-A1934 PolarHBondContact O-N 2.82Å; T1931-A1934 PolarHBondContact O-N 2.7Å
1935C92.3Very high91.5Very high0 Ų025.3 Ų25.30%014%0.137CC..Hα-helixtrans-79.2-29.1178.9-66.50000114.2L1899 L1908 T1931 L1932 I1933 N1942L1899-C1935 HydrophobicContact CD1-CB 3.71Å; L1899-C1935 VanDerWaalsContact CD1-SG 3.57Å; L1908-C1935 HydrophobicContact CD1-CB 4.27Å; T1931-C1935 WeakPolarHBondContact O-CB 3.25Å; T1931-C1935 PolarHBondContact O-N 2.74Å; T1931-C1935 PolarHBondContact O-SG 2.81Å; L1932-C1935 PolarHBondContact O-N 3.3Å; I1933-C1935 VanDerWaalsContact C-N 3.29Å; I1933-C1935 PolarHBondContact O-N 2.84Å; C1935-N1942 PolarHBondContact O-ND2 3.48Å
1936C93.1Very high91.5Very high0 Ų023.6 Ų23.60%013%0.129CC..Hα-helixtrans-112.4-19.1-170.7-62.40000115.1L1932 I1933 E1938 H1939 N1942 T1943 L1946 Y2005 F2006L1932-C1936 WeakPolarHBondContact O-CB 3.18Å; L1932-C1936 PolarHBondContact O-N 3.2Å; I1933-C1936 PolarHBondContact O-N 3.46Å; C1936-E1938 PolarHBondContact O-N 3.48Å; C1936-H1939 PolarHBondContact O-N 2.91Å; C1936-H1939 VanDerWaalsContact O-N 3.09Å; C1936-N1942 HydrophobicContact CB-CB 4.47Å; C1936-T1943 PolarHBondContact O-OG1 2.87Å; C1936-L1946 HydrophobicContact CB-CD2 4.43Å; C1936-Y2005 WeakPolarHBondContact O-CE1 3.44Å; C1936-F2006 HydrophobicContact CB-CE1 3.83Å; C1936-F2006 HydrophobicContact CB-CZ 3.96Å
1937Y94.2Very high91.4Very high9 Ų927.9 Ų27.94%0.03515%0.148CC..THydrogen-bonded Turntrans-58.1131.6179.4177.8-120000111.1L1891 Q1896 I1933 H1939 F1994 E1998 S2001 A2002 Y2005L1891-Y1937 HydrophobicContact CD2-CD1 3.82Å; L1891-Y1937 HydrophobicContact CD2-CE1 3.73Å; Q1896-Y1937 PolarHBondContact NE2-O 2.76Å; I1933-Y1937 VanDerWaalsContact O-CB 3.26Å; I1933-Y1937 WeakPolarHBondContact O-CB 3.21Å; I1933-Y1937 PolarHBondContact O-N 3.48Å; Y1937-H1939 PolarHBondContact O-N 2.74Å; Y1937-F1994 HydrophobicContact CD1-CE2 4.04Å; Y1937-F1994 AromaticContact CD1-CZ 3.62Å; Y1937-F1994 HydrophobicContact CD1-CZ 3.62Å; Y1937-F1994 AromaticContact CE1-CZ 3.94Å; Y1937-F1994 HydrophobicContact CE1-CZ 3.94Å; Y1937-F1994 HydrophobicContact CG-CE2 4.43Å; Y1937-F1994 AromaticContact CG-CZ 3.96Å; Y1937-F1994 HydrophobicContact CG-CZ 3.96Å; Y1937-E1998 HydrophobicContact CE1-CB 4.31Å; Y1937-E1998 PolarHBondContact OH-OE2 3.27Å; Y1937-S2001 WeakPolarHBondContact OH-CB 3.44Å; Y1937-A2002 HydrophobicContact CD2-CB 3.73Å; Y1937-A2002 VanDerWaalsContact CE2-CA 3.43Å; Y1937-A2002 HydrophobicContact CE2-CB 3.73Å; Y1937-A2002 HydrophobicContact CG-CB 4.4Å; Y1937-Y2005 HydrophobicContact CD2-CD1 4.23Å; Y1937-Y2005 HydrophobicContact CD2-CG 4.16Å
1938E90.2Very high91.2Very high136 Ų13632.5 Ų32.564%0.63618%0.176SC*.THydrogen-bonded Turntrans59-1.9-173.7-57.2-167.312200116.5C1936C1936-E1938 PolarHBondContact O-N 3.48Å
1939H92.1Very high90.8Very high22 Ų2239.5 Ų39.510%0.10221%0.209CC..  trans-10881.8-171.3-164.9-70.3000112.7Q1896 T1897 C1936 Y1937 L1941 N1942 T1943 Y2005Q1896-H1939 HydrophobicContact CB-CB 4.45Å; Q1896-H1939 VanDerWaalsContact CB-CD2 3.42Å; Q1896-H1939 WeakPolarHBondContact CB-CD2 3.14Å; Q1896-H1939 PolarHBondContact OE1-CD2 3.12Å; T1897-H1939 PolarHBondContact N-NE2 3.46Å; T1897-H1939 PolarHBondContact OG1-NE2 2.75Å; T1897-H1939 VanDerWaalsContact OG1-NE2 3.15Å; C1936-H1939 PolarHBondContact O-N 2.91Å; C1936-H1939 VanDerWaalsContact O-N 3.09Å; Y1937-H1939 PolarHBondContact O-N 2.74Å; H1939-L1941 VanDerWaalsContact C-N 3.27Å; H1939-L1941 PolarHBondContact O-N 2.77Å; H1939-N1942 HydrophobicContact CB-CB 4.27Å; H1939-N1942 WeakPolarHBondContact ND1-CB 3.2Å; H1939-N1942 VanDerWaalsContact ND1-CG 3.3Å; H1939-N1942 PolarHBondContact ND1-N 3.16Å; H1939-N1942 PolarHBondContact ND1-ND2 2.83Å; H1939-N1942 WeakPolarHBondContact O-CA 3.47Å; H1939-N1942 PolarHBondContact O-N 2.84Å; H1939-T1943 PolarHBondContact O-N 3.44Å; H1939-T1943 VanDerWaalsContact O-N 3.09Å; H1939-T1943 PolarHBondContact O-OG1 2.72Å; H1939-Y2005 PolarHBondContact N-OH 2.87Å
1940T88.1Confident90.5Very high111 Ų11140.1 Ų40.168%0.68121%0.213SC*.Hα-helixtrans-43-45.2-175.456.40000114.8N1942 T1943 S1944T1940-N1942 VanDerWaalsContact C-N 3.33Å; T1940-N1942 PolarHBondContact O-N 2.77Å; T1940-T1943 PolarHBondContact O-N 3.37Å; T1940-S1944 PolarHBondContact O-N 3.23Å
1941L87Confident90.3Very high96 Ų9642.9 Ų42.950%0.50323%0.232SC..Hα-helixtrans-68.9-28.7-178.5-167.267.2000112.9Q1900 H1939 S1944 V1945Q1900-L1941 VanDerWaalsContact NE2-C 3.31Å; Q1900-L1941 PolarHBondContact NE2-O 3.46Å; H1939-L1941 VanDerWaalsContact C-N 3.27Å; H1939-L1941 PolarHBondContact O-N 2.77Å; L1941-S1944 PolarHBondContact O-OG 2.86Å; L1941-V1945 WeakPolarHBondContact O-CG2 3.2Å
1942N89.7Confident90.2Very high0 Ų043.5 Ų43.50%024%0.236CC..Hα-helixtrans-78.8-38174.4-79.2-13.6000110.3Q1896 Q1900 L1908 C1935 C1936 H1939 T1940 S1944 V1945 L1946Q1896-N1942 PolarHBondContact O-ND2 3.03Å; Q1900-N1942 VanDerWaalsContact CG-OD1 3.29Å; Q1900-N1942 WeakPolarHBondContact CG-OD1 3.39Å; Q1900-N1942 PolarHBondContact NE2-OD1 3.47Å; L1908-N1942 HydrophobicContact CD2-CB 3.78Å; C1935-N1942 PolarHBondContact O-ND2 3.48Å; C1936-N1942 HydrophobicContact CB-CB 4.47Å; H1939-N1942 HydrophobicContact CB-CB 4.27Å; H1939-N1942 WeakPolarHBondContact ND1-CB 3.2Å; H1939-N1942 VanDerWaalsContact ND1-CG 3.3Å; H1939-N1942 PolarHBondContact ND1-N 3.16Å; H1939-N1942 PolarHBondContact ND1-ND2 2.83Å; H1939-N1942 WeakPolarHBondContact O-CA 3.47Å; H1939-N1942 PolarHBondContact O-N 2.84Å; T1940-N1942 VanDerWaalsContact C-N 3.33Å; T1940-N1942 PolarHBondContact O-N 2.77Å; N1942-S1944 VanDerWaalsContact C-N 3.34Å; N1942-S1944 PolarHBondContact O-N 3.31Å; N1942-V1945 PolarHBondContact O-N 2.74Å; N1942-V1945 VanDerWaalsContact O-N 3.1Å; N1942-L1946 PolarHBondContact O-N 3.45Å
1943T90.8Very high90.1Very high13 Ų1345.9 Ų45.98%0.0825%0.253CS..Hα-helixtrans-60.3-41.8172.6-50.20000111.6C1936 H1939 T1940 V1945 L1946 E1947 P1952 Y2005C1936-T1943 PolarHBondContact O-OG1 2.87Å; H1939-T1943 PolarHBondContact O-N 3.44Å; H1939-T1943 VanDerWaalsContact O-N 3.09Å; H1939-T1943 PolarHBondContact O-OG1 2.72Å; T1940-T1943 PolarHBondContact O-N 3.37Å; T1943-V1945 PolarHBondContact O-N 3.27Å; T1943-L1946 WeakPolarHBondContact O-CB 3.37Å; T1943-L1946 PolarHBondContact O-N 3.1Å; T1943-L1946 VanDerWaalsContact O-N 3.08Å; T1943-E1947 WeakPolarHBondContact O-CG 3.46Å; T1943-E1947 PolarHBondContact O-N 2.88Å; T1943-P1952 HydrophobicContact CG2-CG 4.25Å; T1943-Y2005 HydrophobicContact CG2-CE1 4.44Å; T1943-Y2005 PolarHBondContact OG1-OH 2.84Å
1944S86.9Confident89.9Confident53 Ų5348 Ų4837%0.37126%0.264SS..Hα-helixtrans-63.7-23.3174.876.70000114.5T1940 L1941 N1942T1940-S1944 PolarHBondContact O-N 3.23Å; L1941-S1944 PolarHBondContact O-OG 2.86Å; N1942-S1944 VanDerWaalsContact C-N 3.34Å; N1942-S1944 PolarHBondContact O-N 3.31Å
1945V87.3Confident90Very high17 Ų1748 Ų4810%0.10326%0.264CS..Hα-helixtrans-87.2-30.8174.1172.50000111.4L1908 Q1909 L1912 L1941 N1942 T1943 T1948L1908-V1945 HydrophobicContact CD2-CB 4.08Å; L1908-V1945 HydrophobicContact CD2-CG1 3.94Å; L1908-V1945 HydrophobicContact CG-CG1 4.21Å; Q1909-V1945 HydrophobicContact CG-CG1 3.77Å; L1912-V1945 HydrophobicContact CD1-CG1 4.3Å; L1912-V1945 WeakPolarHBondContact CD1-O 3.44Å; L1941-V1945 WeakPolarHBondContact O-CG2 3.2Å; N1942-V1945 PolarHBondContact O-N 2.74Å; N1942-V1945 VanDerWaalsContact O-N 3.1Å; T1943-V1945 PolarHBondContact O-N 3.27Å; V1945-T1948 PolarHBondContact O-OG1 2.96Å
1946L90Very high90Very high0 Ų048.2 Ų48.20%027%0.265CS..Hα-helixtrans-61.5-48.7170179.167.4000110.4L1912 C1936 N1942 T1943 T1948 E1949 L1950 P1952 L1955 F2006L1912-L1946 HydrophobicContact CD2-CD1 3.65Å; C1936-L1946 HydrophobicContact CB-CD2 4.43Å; N1942-L1946 PolarHBondContact O-N 3.45Å; T1943-L1946 WeakPolarHBondContact O-CB 3.37Å; T1943-L1946 PolarHBondContact O-N 3.1Å; T1943-L1946 VanDerWaalsContact O-N 3.08Å; L1946-T1948 PolarHBondContact O-N 2.96Å; L1946-T1948 VanDerWaalsContact O-N 3.09Å; L1946-E1949 PolarHBondContact O-N 3.29Å; L1946-E1949 VanDerWaalsContact O-N 3.09Å; L1946-L1950 CarbonylContact C-O 3.59Å; L1946-L1950 HydrophobicContact CD1-CB 3.99Å; L1946-L1950 HydrophobicContact CD1-CD2 4.12Å; L1946-L1950 PolarHBondContact O-N 3.44Å; L1946-P1952 HydrophobicContact CD2-CG 4.43Å; L1946-L1955 HydrophobicContact CD2-CD1 3.65Å; L1946-F2006 HydrophobicContact CD2-CE1 4.49Å
1947E89Confident90Very high117 Ų11750.8 Ų50.855%0.54728%0.279SS..THydrogen-bonded Turntrans-56.2-24.5-177.9-78169.8-142.600115.1T1943 E1949 L1950 P1952T1943-E1947 WeakPolarHBondContact O-CG 3.46Å; T1943-E1947 PolarHBondContact O-N 2.88Å; E1947-E1949 VanDerWaalsContact C-N 3.28Å; E1947-E1949 PolarHBondContact O-N 2.83Å; E1947-L1950 WeakPolarHBondContact CA-O 3.15Å; E1947-P1952 HydrophobicContact CG-CG 3.6Å
1948T85.5Confident90.1Very high96 Ų9650.7 Ų50.759%0.58928%0.279SS*.THydrogen-bonded Turntrans-71.2-24.1179.161.50000113.1V1945 L1946V1945-T1948 PolarHBondContact O-OG1 2.96Å; L1946-T1948 PolarHBondContact O-N 2.96Å; L1946-T1948 VanDerWaalsContact O-N 3.09Å
1949E84.5Confident90.2Very high147 Ų14744.2 Ų44.269%0.68725%0.249SC*.THydrogen-bonded Turntrans-122.4-31.8-176.2-58.2-63.3161.800113.3L1912 L1946 E1947L1912-E1949 HydrophobicContact CB-CB 4.35Å; L1912-E1949 HydrophobicContact CB-CG 4.34Å; L1912-E1949 HydrophobicContact CD1-CB 4.46Å; L1912-E1949 HydrophobicContact CD1-CG 4.47Å; L1946-E1949 PolarHBondContact O-N 3.29Å; L1946-E1949 VanDerWaalsContact O-N 3.09Å; E1947-E1949 VanDerWaalsContact C-N 3.28Å; E1947-E1949 PolarHBondContact O-N 2.83Å
1950L89.2Confident90.2Very high23 Ų2346.6 Ų46.612%0.1226%0.26CS..SBendtrans-137.3138.3-175.4-166.271.9000111.4F1919 L1932 L1946 E1947 P1952 I1954F1919-L1950 HydrophobicContact CD1-CD1 4.26Å; F1919-L1950 HydrophobicContact CD1-CD2 4.33Å; F1919-L1950 HydrophobicContact CE1-CD2 4.3Å; L1932-L1950 HydrophobicContact CD1-CD2 4.24Å; L1946-L1950 CarbonylContact C-O 3.59Å; L1946-L1950 HydrophobicContact CD1-CB 3.99Å; L1946-L1950 HydrophobicContact CD1-CD2 4.12Å; L1946-L1950 PolarHBondContact O-N 3.44Å; E1947-L1950 WeakPolarHBondContact CA-O 3.15Å; L1950-P1952 WeakPolarHBondContact O-CD 3.3Å; L1950-I1954 HydrophobicContact CD1-CD1 3.62Å; L1950-I1954 HydrophobicContact CG-CD1 4.11Å
1951S90Very high90.4Very high59 Ų5944.7 Ų44.741%0.41324%0.243SC..  trans-72.7128.3174.5-178.60000111S1953 I1954S1951-S1953 PolarHBondContact O-N 2.78Å; S1951-S1953 VanDerWaalsContact O-N 3.14Å; S1951-S1953 PolarHBondContact OG-OG 2.64Å; S1951-I1954 WeakPolarHBondContact O-CB 3.33Å; S1951-I1954 PolarHBondContact O-N 2.94Å
1952P91.6Very high90.6Very high13 Ų1341.5 Ų41.58%0.08422%0.224CC..THydrogen-bonded Turntrans-51.6-35.7175.5-30.537000113.9T1943 L1946 E1947 L1950 I1954 L1955 A1956 F2006T1943-P1952 HydrophobicContact CG2-CG 4.25Å; L1946-P1952 HydrophobicContact CD2-CG 4.43Å; E1947-P1952 HydrophobicContact CG-CG 3.6Å; L1950-P1952 WeakPolarHBondContact O-CD 3.3Å; P1952-I1954 PolarHBondContact O-N 2.73Å; P1952-L1955 WeakPolarHBondContact O-CB 3.49Å; P1952-L1955 PolarHBondContact O-N 3.13Å; P1952-A1956 PolarHBondContact O-N 3.31Å; P1952-F2006 CarbonylContact C-O 3.52Å; P1952-F2006 HydrophobicContact CB-CD1 4.22Å
1953S91.3Very high90.6Very high50 Ų5042.7 Ų42.735%0.3523%0.23SC..Hα-helixtrans-51.7-30.317766.20000113.9S1951 L1955 A1956 N1957 F2006S1951-S1953 PolarHBondContact O-N 2.78Å; S1951-S1953 VanDerWaalsContact O-N 3.14Å; S1951-S1953 PolarHBondContact OG-OG 2.64Å; S1953-L1955 VanDerWaalsContact C-N 3.28Å; S1953-L1955 PolarHBondContact O-N 2.77Å; S1953-A1956 PolarHBondContact O-N 3.36Å; S1953-N1957 PolarHBondContact O-N 3.3Å; S1953-N1957 PolarHBondContact O-ND2 3.33Å; S1953-F2006 PolarHBondContact N-O 3.09Å
1954I92.5Very high90.4Very high46 Ų4643.9 Ų43.924%0.23624%0.236CC..Hα-helixtrans-64.3-35.4178.2-64.2168.6000110.9Y1929 L1950 S1951 P1952 Y1958Y1929-I1954 HydrophobicContact CE2-CG2 3.95Å; L1950-I1954 HydrophobicContact CD1-CD1 3.62Å; L1950-I1954 HydrophobicContact CG-CD1 4.11Å; S1951-I1954 WeakPolarHBondContact O-CB 3.33Å; S1951-I1954 PolarHBondContact O-N 2.94Å; P1952-I1954 PolarHBondContact O-N 2.73Å; I1954-Y1958 PolarHBondContact O-N 2.95Å; I1954-Y1958 VanDerWaalsContact O-N 3.14Å
1955L94Very high90.3Very high0 Ų044.9 Ų44.90%024%0.235CC..Hα-helixtrans-72.7-38.9175.1-57.7-177.5000111.8Y1929 L1932 I1933 L1946 P1952 S1953 N1957 Y1958 I1959 F2006Y1929-L1955 HydrophobicContact CD1-CD2 4.27Å; Y1929-L1955 HydrophobicContact CD2-CD2 4.32Å; Y1929-L1955 HydrophobicContact CG-CD2 3.97Å; L1932-L1955 HydrophobicContact CB-CD1 4.08Å; L1932-L1955 HydrophobicContact CB-CD2 4.21Å; L1932-L1955 HydrophobicContact CD1-CD2 4.39Å; I1933-L1955 HydrophobicContact CG1-CB 4.14Å; I1933-L1955 HydrophobicContact CG1-CD1 4.21Å; I1933-L1955 HydrophobicContact CG1-CD2 4.42Å; I1933-L1955 HydrophobicContact CG1-CG 4.49Å; L1946-L1955 HydrophobicContact CD2-CD1 3.65Å; P1952-L1955 WeakPolarHBondContact O-CB 3.49Å; P1952-L1955 PolarHBondContact O-N 3.13Å; S1953-L1955 VanDerWaalsContact C-N 3.28Å; S1953-L1955 PolarHBondContact O-N 2.77Å; L1955-N1957 PolarHBondContact O-N 2.91Å; L1955-Y1958 WeakPolarHBondContact O-CB 3.32Å; L1955-Y1958 PolarHBondContact O-N 3.42Å; L1955-I1959 VanDerWaalsContact O-CG1 3.3Å; L1955-I1959 WeakPolarHBondContact O-CG1 3.48Å; L1955-I1959 PolarHBondContact O-N 3.15Å; L1955-F2006 HydrophobicContact CB-CB 4.48Å; L1955-F2006 HydrophobicContact CB-CD2 4.29Å; L1955-F2006 HydrophobicContact CB-CG 4.22Å; L1955-F2006 HydrophobicContact CD1-CD1 4.34Å; L1955-F2006 HydrophobicContact CD1-CE1 4.1Å; L1955-F2006 HydrophobicContact CD1-CZ 4.24Å
1956A93.6Very high90.1Very high4 Ų449.1 Ų49.13%0.03325%0.249CC..Hα-helixtrans-60.4-44.317500000112.3P1952 S1953 Y1958 I1959 E1960 K2003 F2006 S2007P1952-A1956 PolarHBondContact O-N 3.31Å; S1953-A1956 PolarHBondContact O-N 3.36Å; A1956-Y1958 VanDerWaalsContact C-N 3.35Å; A1956-Y1958 PolarHBondContact O-N 2.92Å; A1956-I1959 PolarHBondContact O-N 2.7Å; A1956-E1960 PolarHBondContact O-N 3.11Å; A1956-K2003 HydrophobicContact CB-CG 4.45Å; A1956-F2006 HydrophobicContact CB-CB 3.9Å; A1956-S2007 WeakPolarHBondContact CB-OG 3.46Å
1957N93.5Very high89.7Confident55 Ų5554.7 Ų54.729%0.29427%0.273SS..Hα-helixtrans-66.3-35.2177-71.5-71000112.3P1804 S1953 L1955 E1960 E1961P1804-N1957 HydrophobicContact CG-CB 3.61Å; P1804-N1957 WeakPolarHBondContact CG-ND2 3.23Å; P1804-N1957 VanDerWaalsContact CG-OD1 3.27Å; P1804-N1957 WeakPolarHBondContact CG-OD1 3.28Å; S1953-N1957 PolarHBondContact O-N 3.3Å; S1953-N1957 PolarHBondContact O-ND2 3.33Å; L1955-N1957 PolarHBondContact O-N 2.91Å; N1957-E1960 PolarHBondContact O-N 3.1Å; N1957-E1961 PolarHBondContact O-N 3.1Å
1958Y94.4Very high89.2Confident7 Ų751.6 Ų51.63%0.02726%0.262CS..Hα-helixtrans-64.1-43.2171.9174.1-98.1000112.2N1926 Y1929 P1930 I1933 I1954 L1955 A1956 E1960 E1961 R1962 F1990N1926-Y1958 VanDerWaalsContact OD1-CE2 3.26Å; N1926-Y1958 WeakPolarHBondContact OD1-CE2 3.18Å; N1926-Y1958 PolarHBondContact OD1-OH 2.79Å; Y1929-Y1958 HydrophobicContact CD2-CD1 4.34Å; Y1929-Y1958 AromaticContact CD2-CD2 3.72Å; Y1929-Y1958 HydrophobicContact CD2-CD2 3.72Å; Y1929-Y1958 HydrophobicContact CD2-CE2 4.37Å; Y1929-Y1958 AromaticContact CD2-CG 3.7Å; Y1929-Y1958 HydrophobicContact CD2-CG 3.7Å; Y1929-Y1958 HydrophobicContact CG-CG 4.47Å; P1930-Y1958 HydrophobicContact CG-CE1 4.14Å; I1933-Y1958 HydrophobicContact CD1-CD1 3.91Å; I1933-Y1958 HydrophobicContact CD1-CE1 4.3Å; I1954-Y1958 PolarHBondContact O-N 2.95Å; I1954-Y1958 VanDerWaalsContact O-N 3.14Å; L1955-Y1958 WeakPolarHBondContact O-CB 3.32Å; L1955-Y1958 PolarHBondContact O-N 3.42Å; A1956-Y1958 VanDerWaalsContact C-N 3.35Å; A1956-Y1958 PolarHBondContact O-N 2.92Å; Y1958-E1960 VanDerWaalsContact C-N 3.31Å; Y1958-E1960 PolarHBondContact O-N 3.31Å; Y1958-E1961 WeakPolarHBondContact O-CB 3.31Å; Y1958-E1961 PolarHBondContact O-N 3.31Å; Y1958-R1962 HydrophobicContact CD1-CG 4.37Å; Y1958-R1962 HydrophobicContact CE1-CG 3.91Å; Y1958-R1962 HydrophobicContact CE2-CG 4.11Å; Y1958-R1962 WeakPolarHBondContact O-CG 3.3Å; Y1958-R1962 PolarHBondContact O-N 2.75Å; Y1958-F1990 HydrophobicContact CE1-CD1 4.5Å; Y1958-F1990 HydrophobicContact CE1-CD2 4.3Å; Y1958-F1990 HydrophobicContact CE1-CG 4.27Å
1959I92.8Very high88.4Confident0 Ų051.2 Ų51.20%026%0.257CS..Hα-helixtrans-61.3-43176-65.1161.8000110.2I1933 L1955 A1956 R1962 I1963 F1990 W1999 A2002 K2003 F2006I1933-I1959 HydrophobicContact CD1-CD1 3.85Å; I1933-I1959 HydrophobicContact CD1-CG1 3.62Å; I1933-I1959 HydrophobicContact CG1-CD1 4.22Å; L1955-I1959 VanDerWaalsContact O-CG1 3.3Å; L1955-I1959 WeakPolarHBondContact O-CG1 3.48Å; L1955-I1959 PolarHBondContact O-N 3.15Å; A1956-I1959 PolarHBondContact O-N 2.7Å; I1959-R1962 PolarHBondContact O-N 3.21Å; I1959-I1963 HydrophobicContact CG2-CD1 3.87Å; I1959-I1963 HydrophobicContact CG2-CG1 4.43Å; I1959-I1963 VanDerWaalsContact O-CG1 3.31Å; I1959-I1963 WeakPolarHBondContact O-CG1 3.4Å; I1959-I1963 PolarHBondContact O-N 2.74Å; I1959-F1990 HydrophobicContact CG1-CE1 4.18Å; I1959-F1990 HydrophobicContact CG1-CZ 3.97Å; I1959-F1990 HydrophobicContact CG2-CE1 4.38Å; I1959-W1999 HydrophobicContact CG2-CB 4.27Å; I1959-W1999 WeakPolarHBondContact CG2-O 3.29Å; I1959-A2002 HydrophobicContact CD1-CB 3.88Å; I1959-K2003 HydrophobicContact CB-CB 4.44Å; I1959-K2003 HydrophobicContact CG2-CB 3.99Å; I1959-F2006 HydrophobicContact CD1-CD2 4Å
1960E93.1Very high87.1Confident72 Ų7247.6 Ų47.634%0.33625%0.247SC..Hα-helixtrans-59.7-45.5174.2175.5143.9-127.500113A1956 N1957 Y1958 R1962 I1963 L1964 K2003A1956-E1960 PolarHBondContact O-N 3.11Å; N1957-E1960 PolarHBondContact O-N 3.1Å; Y1958-E1960 VanDerWaalsContact C-N 3.31Å; Y1958-E1960 PolarHBondContact O-N 3.31Å; E1960-R1962 VanDerWaalsContact C-N 3.3Å; E1960-R1962 PolarHBondContact O-N 2.79Å; E1960-I1963 PolarHBondContact O-N 3.29Å; E1960-L1964 HydrophobicContact CG-CD1 4.03Å; E1960-L1964 WeakPolarHBondContact O-CG 3.35Å; E1960-L1964 PolarHBondContact O-N 2.6Å; E1960-K2003 HydrophobicContact CB-CD 4.3Å; E1960-K2003 IonicContact OE1-NZ 2.95Å; E1960-K2003 PolarHBondContact OE1-NZ 3.43Å; E1960-K2003 WeakPolarHBondContact OE2-CE 3.48Å; E1960-K2003 IonicContact OE2-NZ 2.67Å; E1960-K2003 PolarHBondContact OE2-NZ 3.13Å
1961E91.2Very high85.2Confident71 Ų7154.5 Ų54.533%0.33228%0.277SS..Hα-helixtrans-56.8-43.3174.6-168.9-171.7117.800111.8N1957 Y1958 L1964 E1965N1957-E1961 PolarHBondContact O-N 3.1Å; Y1958-E1961 WeakPolarHBondContact O-CB 3.31Å; Y1958-E1961 PolarHBondContact O-N 3.31Å; E1961-L1964 PolarHBondContact O-N 2.9Å; E1961-E1965 PolarHBondContact O-N 3.28Å
1962R91.3Very high83.3Confident29 Ų2959.7 Ų59.711%0.10929%0.287CS..Hα-helixtrans-71.5-33.9177.9-60.6-64119.8-175.3-3.4112.8Y1958 I1959 E1960 E1965 R1966 F1990 W1999Y1958-R1962 HydrophobicContact CD1-CG 4.37Å; Y1958-R1962 HydrophobicContact CE1-CG 3.91Å; Y1958-R1962 HydrophobicContact CE2-CG 4.11Å; Y1958-R1962 WeakPolarHBondContact O-CG 3.3Å; Y1958-R1962 PolarHBondContact O-N 2.75Å; I1959-R1962 PolarHBondContact O-N 3.21Å; E1960-R1962 VanDerWaalsContact C-N 3.3Å; E1960-R1962 PolarHBondContact O-N 2.79Å; R1962-E1965 IonicContact CZ-OE1 2.74Å; R1962-E1965 IonicContact CZ-OE2 2.7Å; R1962-E1965 IonicContact NE-OE2 2.84Å; R1962-E1965 IonicContact NH1-OE1 3.39Å; R1962-E1965 PolarHBondContact NH1-OE1 2.87Å; R1962-E1965 IonicContact NH1-OE2 3.83Å; R1962-E1965 PolarHBondContact NH1-OE2 3.15Å; R1962-E1965 IonicContact NH2-OE1 2.89Å; R1962-E1965 PolarHBondContact NH2-OE1 2.73Å; R1962-E1965 IonicContact NH2-OE2 3.98Å; R1962-R1966 WeakPolarHBondContact O-CB 3.11Å; R1962-R1966 PolarHBondContact O-N 2.78Å; R1962-F1990 HydrophobicContact CB-CD1 3.73Å; R1962-F1990 HydrophobicContact CB-CE1 4.39Å; R1962-F1990 HydrophobicContact CG-CB 4.29Å; R1962-F1990 HydrophobicContact CG-CD1 3.87Å; R1962-F1990 HydrophobicContact CG-CG 4.37Å; R1962-W1999 HydrophobicContact CB-CH2 4.31Å; R1962-W1999 HydrophobicContact CB-CZ3 4.18Å
1963I90.4Very high80.7Confident24 Ų2465.1 Ų65.112%0.12331%0.309CS..Hα-helixtrans-62-46.5170.7-71.2163.4000110.3I1959 E1960 R1966 K1967 W1999I1959-I1963 HydrophobicContact CG2-CD1 3.87Å; I1959-I1963 HydrophobicContact CG2-CG1 4.43Å; I1959-I1963 VanDerWaalsContact O-CG1 3.31Å; I1959-I1963 WeakPolarHBondContact O-CG1 3.4Å; I1959-I1963 PolarHBondContact O-N 2.74Å; E1960-I1963 PolarHBondContact O-N 3.29Å; I1963-R1966 PolarHBondContact O-N 3.11Å; I1963-K1967 HydrophobicContact CG2-CD 4.44Å; I1963-K1967 WeakPolarHBondContact O-CG 3.39Å; I1963-K1967 PolarHBondContact O-N 3.2Å; I1963-W1999 HydrophobicContact CD1-CB 4.4Å; I1963-W1999 HydrophobicContact CG1-CB 4.46Å; I1963-W1999 HydrophobicContact CG1-CE3 3.71Å; I1963-W1999 HydrophobicContact CG1-CZ3 4.39Å
1964L86.5Confident78.3Confident39 Ų3970.3 Ų70.320%0.20433%0.332CS..Hα-helixtrans-66.7-44.1179.5-68.7170.7000111.6L1801 E1960 E1961 R1966 K1967 V1968L1801-L1964 HydrophobicContact CD2-CD1 3.74Å; E1960-L1964 HydrophobicContact CG-CD1 4.03Å; E1960-L1964 WeakPolarHBondContact O-CG 3.35Å; E1960-L1964 PolarHBondContact O-N 2.6Å; E1961-L1964 PolarHBondContact O-N 2.9Å; L1964-R1966 VanDerWaalsContact C-N 3.31Å; L1964-R1966 PolarHBondContact O-N 2.86Å; L1964-K1967 WeakPolarHBondContact O-CB 3.4Å; L1964-K1967 PolarHBondContact O-N 3.49Å; L1964-V1968 WeakPolarHBondContact O-CG2 3.37Å; L1964-V1968 PolarHBondContact O-N 2.8Å
1965E84.6Confident75.4Confident74 Ų7476.5 Ų76.535%0.34636%0.36SS..Hα-helixtrans-56.1-43.6171.5-82.8-170.317600112.2E1961 R1962 K1967 V1968 N1969E1961-E1965 PolarHBondContact O-N 3.28Å; R1962-E1965 IonicContact CZ-OE1 2.74Å; R1962-E1965 IonicContact CZ-OE2 2.7Å; R1962-E1965 IonicContact NE-OE2 2.84Å; R1962-E1965 IonicContact NH1-OE1 3.39Å; R1962-E1965 PolarHBondContact NH1-OE1 2.87Å; R1962-E1965 IonicContact NH1-OE2 3.83Å; R1962-E1965 PolarHBondContact NH1-OE2 3.15Å; R1962-E1965 IonicContact NH2-OE1 2.89Å; R1962-E1965 PolarHBondContact NH2-OE1 2.73Å; R1962-E1965 IonicContact NH2-OE2 3.98Å; E1965-K1967 VanDerWaalsContact C-N 3.34Å; E1965-K1967 PolarHBondContact O-N 3.29Å; E1965-V1968 PolarHBondContact O-N 2.73Å; E1965-N1969 WeakPolarHBondContact O-CB 3.28Å; E1965-N1969 VanDerWaalsContact O-CG 3.26Å; E1965-N1969 PolarHBondContact O-N 3.32Å; E1965-N1969 PolarHBondContact O-ND2 3.44Å
1966R82.9Confident72.3Confident105 Ų10586 Ų8640%0.39640%0.401SS..Hα-helixtrans-64.1-38.4179.2-174.3174.7170.987.3-7.7111.7R1962 I1963 L1964 S1970 E1991R1962-R1966 WeakPolarHBondContact O-CB 3.11Å; R1962-R1966 PolarHBondContact O-N 2.78Å; I1963-R1966 PolarHBondContact O-N 3.11Å; L1964-R1966 VanDerWaalsContact C-N 3.31Å; L1964-R1966 PolarHBondContact O-N 2.86Å; R1966-S1970 PolarHBondContact O-N 3.25Å; R1966-S1970 VanDerWaalsContact O-N 3.11Å; R1966-E1991 WeakPolarHBondContact CD-OE1 3.31Å; R1966-E1991 IonicContact CZ-OE1 3.01Å; R1966-E1991 IonicContact NE-OE1 2.75Å; R1966-E1991 IonicContact NH1-OE1 2.84Å; R1966-E1991 PolarHBondContact NH1-OE1 2.8Å; R1966-E1991 IonicContact NH1-OE2 2.64Å; R1966-E1991 PolarHBondContact NH1-OE2 3.41Å
1967K82.3Confident69.1Low118 Ų11895.3 Ų95.351%0.51344%0.441SS..Hα-helixtrans-62.9-54.6171.4-69.4174.2-179-179.10111I1963 L1964 E1965 N1969 S1970 F1971I1963-K1967 HydrophobicContact CG2-CD 4.44Å; I1963-K1967 WeakPolarHBondContact O-CG 3.39Å; I1963-K1967 PolarHBondContact O-N 3.2Å; L1964-K1967 WeakPolarHBondContact O-CB 3.4Å; L1964-K1967 PolarHBondContact O-N 3.49Å; E1965-K1967 VanDerWaalsContact C-N 3.34Å; E1965-K1967 PolarHBondContact O-N 3.29Å; K1967-N1969 VanDerWaalsContact C-N 3.31Å; K1967-N1969 PolarHBondContact O-N 3.31Å; K1967-S1970 WeakPolarHBondContact O-CA 3.24Å; K1967-S1970 VanDerWaalsContact O-CB 3.24Å; K1967-S1970 WeakPolarHBondContact O-CB 3.09Å; K1967-S1970 PolarHBondContact O-N 2.89Å; K1967-F1971 HydrophobicContact CB-CE2 4.44Å; K1967-F1971 WeakPolarHBondContact O-CD2 3.49Å; K1967-F1971 PolarHBondContact O-N 2.81Å; K1967-F1971 VanDerWaalsContact O-N 3.16Å
1968V78.5Confident65.9Low51 Ų5198.3 Ų98.331%0.30947%0.465SS..Hα-helixtrans-57.7-40.2178.9172.10000112.2L1964 E1965 S1970 F1971 R1972L1964-V1968 WeakPolarHBondContact O-CG2 3.37Å; L1964-V1968 PolarHBondContact O-N 2.8Å; E1965-V1968 PolarHBondContact O-N 2.73Å; V1968-S1970 VanDerWaalsContact C-N 3.3Å; V1968-S1970 PolarHBondContact O-N 2.97Å; V1968-F1971 PolarHBondContact O-N 2.92Å; V1968-R1972 HydrophobicContact CG1-CG 4.25Å; V1968-R1972 WeakPolarHBondContact O-CB 3.37Å; V1968-R1972 WeakPolarHBondContact O-CG 3.45Å; V1968-R1972 PolarHBondContact O-N 3.46Å
1969N68.1Low62.6Low89 Ų89105.1 Ų105.148%0.47650%0.502SS..Hα-helixtrans-70.3-23.8175.9-76.5-40.5000113.2E1965 K1967E1965-N1969 WeakPolarHBondContact O-CB 3.28Å; E1965-N1969 VanDerWaalsContact O-CG 3.26Å; E1965-N1969 PolarHBondContact O-N 3.32Å; E1965-N1969 PolarHBondContact O-ND2 3.44Å; K1967-N1969 VanDerWaalsContact C-N 3.31Å; K1967-N1969 PolarHBondContact O-N 3.31Å
1970S57.8Low59.5Low70 Ų70112.6 Ų112.649%0.4954%0.541SS..Hα-helixtrans-69.8-44.9170-154.70000110.9R1966 K1967 V1968R1966-S1970 PolarHBondContact O-N 3.25Å; R1966-S1970 VanDerWaalsContact O-N 3.11Å; K1967-S1970 WeakPolarHBondContact O-CA 3.24Å; K1967-S1970 VanDerWaalsContact O-CB 3.24Å; K1967-S1970 WeakPolarHBondContact O-CB 3.09Å; K1967-S1970 PolarHBondContact O-N 2.89Å; V1968-S1970 VanDerWaalsContact C-N 3.3Å; V1968-S1970 PolarHBondContact O-N 2.97Å
1971F48.4Very low56.6Low169 Ų169115.7 Ų115.774%0.74156%0.56SS**Hα-helixtrans-66.3-41.7175.5-62.9-65.5000112.7K1967 V1968 K1973K1967-F1971 HydrophobicContact CB-CE2 4.44Å; K1967-F1971 WeakPolarHBondContact O-CD2 3.49Å; K1967-F1971 PolarHBondContact O-N 2.81Å; K1967-F1971 VanDerWaalsContact O-N 3.16Å; V1968-F1971 PolarHBondContact O-N 2.92Å; F1971-K1973 PolarHBondContact O-N 2.67Å; F1971-K1973 VanDerWaalsContact O-N 3.09Å
1972R50.2Low54Low167 Ų167118.9 Ų118.963%0.6358%0.575SS**G310 helixtrans-72.96.6-179.3-72.3-175.3-179.2177.92.3115.5V1968 I1974 E1975V1968-R1972 HydrophobicContact CG1-CG 4.25Å; V1968-R1972 WeakPolarHBondContact O-CB 3.37Å; V1968-R1972 WeakPolarHBondContact O-CG 3.45Å; V1968-R1972 PolarHBondContact O-N 3.46Å; R1972-I1974 PolarHBondContact O-N 3.27Å; R1972-E1975 PolarHBondContact O-N 3.33Å
1973K37.7Very low51.4Low127 Ų127126.1 Ų126.155%0.55261%0.608SS**G310 helixtrans-61.6-11-178.5-91.3173.2-179.6171.20115.5F1971F1971-K1973 PolarHBondContact O-N 2.67Å; F1971-K1973 VanDerWaalsContact O-N 3.09Å
1974I40.2Very low49.5Very low159 Ų159127.7 Ų127.782%0.81562%0.616SS**G310 helixtrans-91.4-25.6-178.8-60.3177.8000112.6R1972R1972-I1974 PolarHBondContact O-N 3.27Å
1975E32.5Very low48.3Very low176 Ų176129.3 Ų129.382%0.82263%0.625SS**  trans-129.868.3-173.8-64.5-159.3155.800114.1R1972 K1977R1972-E1975 PolarHBondContact O-N 3.33Å; E1975-K1977 PolarHBondContact O-N 2.81Å
1976K29.2Very low47.4Very low199 Ų199128.4 Ų128.487%0.86562%0.621SS**  trans-82.590.1167.3-82.1-166.3173.1-173.70111.9
1977K25.7Very low47.1Very low200 Ų200125.1 Ų125.187%0.8761%0.609SS**  trans-101.1146.7151.4-123.8172.2-174.9172.30109.7E1975E1975-K1977 PolarHBondContact O-N 2.81Å
1978C25.4Very low47Very low119 Ų119120.2 Ų120.280%0.80459%0.587SS**  trans-65.7138.6-168.738.80000113.4
1979N26.6Very low47Very low149 Ų149121.3 Ų121.380%0.79759%0.591SS**  trans-129.8134.4172.9-124.9-5.8000108.9N1981N1979-N1981 VanDerWaalsContact C-N 3.35Å; N1979-N1981 PolarHBondContact O-N 2.96Å
1980N27.5Very low47.8Very low157 Ų157117.4 Ų117.484%0.8457%0.57SS**  trans-86.863.4-163.2-64-22.9000113.3
1981N30.9Very low48.9Very low137 Ų137118.3 Ų118.373%0.73357%0.567SS**  trans-69.4138.5158.6-76.95.9000108.8N1979 F1983N1979-N1981 VanDerWaalsContact C-N 3.35Å; N1979-N1981 PolarHBondContact O-N 2.96Å; N1981-F1983 PolarHBondContact O-N 2.92Å
1982E36.7Very low50.3Low139 Ų139114.7 Ų114.765%0.6555%0.552SS**  trans-59.9110.1171.2-66.1-175.4127.300108.6Y1921 L1984Y1921-E1982 PolarHBondContact OH-OE2 2.7Å; E1982-L1984 PolarHBondContact O-N 2.8Å
1983F38Very low52Low181 Ų181107 Ų10779%0.79452%0.523SS*.  trans-7987.9-162.7-145.7-76.3000111N1981N1981-F1983 PolarHBondContact O-N 2.92Å
1984L50.8Low54.3Low56 Ų56101.1 Ų101.129%0.29350%0.497SS..  trans-59.3145.3165.6-68.1179.1000110P1923 I1927 E1982 E1986 F1988P1923-L1984 HydrophobicContact CB-CD1 4.02Å; P1923-L1984 WeakPolarHBondContact O-CD1 3.42Å; I1927-L1984 HydrophobicContact CD1-CD1 4.29Å; I1927-L1984 HydrophobicContact CD1-CD2 4.47Å; I1927-L1984 HydrophobicContact CG1-CD1 4.18Å; E1982-L1984 PolarHBondContact O-N 2.8Å; L1984-E1986 PolarHBondContact O-N 3.29Å; L1984-F1988 HydrophobicContact CB-CB 4.47Å; L1984-F1988 HydrophobicContact CB-CD2 4.01Å
1985D60.8Low56.5Low74 Ų7497.3 Ų97.340%0.39648%0.479SS..  trans-53.3134.1174.2-173.7-32.6000110.3R1987 F1988D1985-R1987 VanDerWaalsContact CG-NE 3.28Å; D1985-R1987 PolarHBondContact O-N 2.84Å; D1985-R1987 WeakPolarHBondContact OD1-CG 3.33Å; D1985-R1987 PolarHBondContact OD1-N 2.65Å; D1985-R1987 IonicContact OD1-NE 3.24Å; D1985-R1987 PolarHBondContact OD1-NE 2.73Å; D1985-R1987 IonicContact OD2-CZ 2.7Å; D1985-R1987 IonicContact OD2-NE 3.86Å; D1985-R1987 PolarHBondContact OD2-NE 3.48Å; D1985-R1987 IonicContact OD2-NH2 3.3Å; D1985-R1987 PolarHBondContact OD2-NH2 2.73Å; D1985-F1988 HydrophobicContact CB-CD2 3.9Å; D1985-F1988 HydrophobicContact CB-CE2 3.92Å; D1985-F1988 WeakPolarHBondContact O-CB 3.43Å; D1985-F1988 WeakPolarHBondContact O-CD2 3.45Å; D1985-F1988 PolarHBondContact O-N 2.84Å
1986E66.2Low58.9Low55 Ų5592.1 Ų92.126%0.25746%0.456SS..G310 helixtrans-57.6-19.7-174.1-65.8-158.613900113.9Y1336 L1984 F1988 N1989 Q1992Y1336-E1986 PolarHBondContact OH-OE2 3.13Å; L1984-E1986 PolarHBondContact O-N 3.29Å; E1986-F1988 PolarHBondContact O-N 2.8Å; E1986-N1989 VanDerWaalsContact O-CB 3.26Å; E1986-N1989 WeakPolarHBondContact O-CB 3.32Å; E1986-N1989 PolarHBondContact O-N 3.03Å; E1986-Q1992 PolarHBondContact O-OE1 3.46Å
1987R76.2Confident61.5Low36 Ų3686.1 Ų86.114%0.13644%0.439CS..G310 helixtrans-56.4-15.1170.2-64.3-178.1-611264.6114.2E1880 D1985E1880-R1987 VanDerWaalsContact CD-NH1 3.33Å; E1880-R1987 IonicContact OE1-CZ 3.5Å; E1880-R1987 VanDerWaalsContact OE1-CZ 3.3Å; E1880-R1987 IonicContact OE1-NH1 2.88Å; E1880-R1987 PolarHBondContact OE1-NH1 2.9Å; E1880-R1987 IonicContact OE1-NH2 2.68Å; E1880-R1987 PolarHBondContact OE1-NH2 2.77Å; E1880-R1987 IonicContact OE2-CZ 3.18Å; E1880-R1987 IonicContact OE2-NH1 3.47Å; E1880-R1987 PolarHBondContact OE2-NH1 3.18Å; D1985-R1987 VanDerWaalsContact CG-NE 3.28Å; D1985-R1987 PolarHBondContact O-N 2.84Å; D1985-R1987 WeakPolarHBondContact OD1-CG 3.33Å; D1985-R1987 PolarHBondContact OD1-N 2.65Å; D1985-R1987 IonicContact OD1-NE 3.24Å; D1985-R1987 PolarHBondContact OD1-NE 2.73Å; D1985-R1987 IonicContact OD2-CZ 2.7Å; D1985-R1987 IonicContact OD2-NE 3.86Å; D1985-R1987 PolarHBondContact OD2-NE 3.48Å; D1985-R1987 IonicContact OD2-NH2 3.3Å; D1985-R1987 PolarHBondContact OD2-NH2 2.73Å
1988F79Confident64.6Low15 Ų1578.8 Ų78.87%0.06641%0.408CS..G310 helixtrans-89.7-16.7173.3-63.5-70.6000113.6H1879 L1883 I1927 L1984 D1985 E1986 F1990H1879-F1988 HydrophobicContact CB-CE1 4.04Å; H1879-F1988 HydrophobicContact CB-CZ 3.92Å; L1883-F1988 HydrophobicContact CD1-CD1 4.19Å; L1883-F1988 HydrophobicContact CD1-CE1 3.59Å; L1883-F1988 HydrophobicContact CD1-CZ 3.9Å; L1883-F1988 HydrophobicContact CD2-CD1 3.56Å; L1883-F1988 HydrophobicContact CD2-CE1 3.68Å; L1883-F1988 HydrophobicContact CG-CD1 4Å; L1883-F1988 HydrophobicContact CG-CE1 3.55Å; L1883-F1988 HydrophobicContact CG-CZ 4.35Å; I1927-F1988 HydrophobicContact CB-CD1 4.14Å; I1927-F1988 HydrophobicContact CB-CE1 4.38Å; I1927-F1988 HydrophobicContact CD1-CD1 4.04Å; I1927-F1988 HydrophobicContact CD1-CE1 3.87Å; I1927-F1988 HydrophobicContact CD1-CZ 4.26Å; I1927-F1988 HydrophobicContact CG1-CD1 3.59Å; I1927-F1988 HydrophobicContact CG1-CE1 3.9Å; I1927-F1988 HydrophobicContact CG1-CG 4.14Å; I1927-F1988 HydrophobicContact CG2-CD1 3.9Å; I1927-F1988 HydrophobicContact CG2-CE1 3.75Å; L1984-F1988 HydrophobicContact CB-CB 4.47Å; L1984-F1988 HydrophobicContact CB-CD2 4.01Å; D1985-F1988 HydrophobicContact CB-CD2 3.9Å; D1985-F1988 HydrophobicContact CB-CE2 3.92Å; D1985-F1988 WeakPolarHBondContact O-CB 3.43Å; D1985-F1988 WeakPolarHBondContact O-CD2 3.45Å; D1985-F1988 PolarHBondContact O-N 2.84Å; E1986-F1988 PolarHBondContact O-N 2.8Å; F1988-F1990 PolarHBondContact O-N 3.42Å
1989N79Confident67.8Low74 Ų7473.4 Ų73.440%0.39637%0.371SS..SBendtrans-63.1130.3-178.4-68.7-24.3000111.1E1986 E1991 Q1992 R1993E1986-N1989 VanDerWaalsContact O-CB 3.26Å; E1986-N1989 WeakPolarHBondContact O-CB 3.32Å; E1986-N1989 PolarHBondContact O-N 3.03Å; N1989-E1991 PolarHBondContact O-N 3.46Å; N1989-Q1992 PolarHBondContact O-N 3.42Å; N1989-R1993 WeakPolarHBondContact O-CG 3.32Å
1990F84.5Confident70.8Confident7 Ų771.6 Ų71.63%0.03136%0.361CS..Hα-helixtrans-52.1-35.4-174.4-174.2-135.5000113.4P1930 I1933 Y1958 I1959 R1962 F1988 Q1992 R1993 F1994 W1999P1930-F1990 HydrophobicContact CB-CD2 3.83Å; P1930-F1990 HydrophobicContact CB-CE2 4.32Å; P1930-F1990 HydrophobicContact CG-CB 4.48Å; P1930-F1990 HydrophobicContact CG-CD2 3.77Å; I1933-F1990 HydrophobicContact CD1-CE2 3.87Å; I1933-F1990 HydrophobicContact CD1-CZ 3.95Å; I1933-F1990 HydrophobicContact CG2-CE2 4.4Å; Y1958-F1990 HydrophobicContact CE1-CD1 4.5Å; Y1958-F1990 HydrophobicContact CE1-CD2 4.3Å; Y1958-F1990 HydrophobicContact CE1-CG 4.27Å; I1959-F1990 HydrophobicContact CG1-CE1 4.18Å; I1959-F1990 HydrophobicContact CG1-CZ 3.97Å; I1959-F1990 HydrophobicContact CG2-CE1 4.38Å; R1962-F1990 HydrophobicContact CB-CD1 3.73Å; R1962-F1990 HydrophobicContact CB-CE1 4.39Å; R1962-F1990 HydrophobicContact CG-CB 4.29Å; R1962-F1990 HydrophobicContact CG-CD1 3.87Å; R1962-F1990 HydrophobicContact CG-CG 4.37Å; F1988-F1990 PolarHBondContact O-N 3.42Å; F1990-Q1992 PolarHBondContact O-N 3.05Å; F1990-R1993 PolarHBondContact O-N 3.33Å; F1990-F1994 HydrophobicContact CD2-CB 4.03Å; F1990-F1994 HydrophobicContact CE2-CB 3.47Å; F1990-F1994 VanDerWaalsContact CE2-CB 3.47Å; F1990-F1994 HydrophobicContact CE2-CD1 4.16Å; F1990-F1994 HydrophobicContact CE2-CG 4.07Å; F1990-F1994 HydrophobicContact CZ-CB 4.05Å; F1990-F1994 AromaticContact CZ-CD1 3.92Å; F1990-F1994 HydrophobicContact CZ-CD1 3.92Å; F1990-F1994 HydrophobicContact CZ-CG 4.3Å; F1990-F1994 PolarHBondContact O-N 2.83Å; F1990-W1999 HydrophobicContact CB-CZ2 4.23Å; F1990-W1999 HydrophobicContact CD1-CD2 4.11Å; F1990-W1999 AromaticContact CD1-CE2 3.48Å; F1990-W1999 VanDerWaalsContact CD1-CE2 3.48Å; F1990-W1999 HydrophobicContact CD1-CE3 4.42Å; F1990-W1999 AromaticContact CD1-CH2 3.58Å; F1990-W1999 HydrophobicContact CD1-CH2 3.58Å; F1990-W1999 AromaticContact CD1-CZ2 3.19Å; F1990-W1999 HydrophobicContact CD1-CZ2 3.19Å; F1990-W1999 HydrophobicContact CD1-CZ3 4.19Å; F1990-W1999 AromaticContact CE1-CD1 4Å; F1990-W1999 AromaticContact CE1-CD2 3.72Å; F1990-W1999 HydrophobicContact CE1-CD2 3.72Å; F1990-W1999 AromaticContact CE1-CE2 3.37Å; F1990-W1999 HydrophobicContact CE1-CE3 4.28Å; F1990-W1999 HydrophobicContact CE1-CG 4.1Å; F1990-W1999 HydrophobicContact CE1-CH2 4.2Å; F1990-W1999 AromaticContact CE1-CZ2 3.65Å; F1990-W1999 HydrophobicContact CE1-CZ2 3.65Å; F1990-W1999 HydrophobicContact CE1-CZ3 4.5Å; F1990-W1999 AromaticContact CE1-NE1 3.59Å; F1990-W1999 HydrophobicContact CG-CH2 4.4Å; F1990-W1999 AromaticContact CG-CZ2 3.84Å; F1990-W1999 HydrophobicContact CG-CZ2 3.84Å; F1990-W1999 AromaticContact CZ-NE1 3.91Å
1991E80.9Confident73.8Confident89 Ų8966.9 Ų66.942%0.41634%0.341SS..Hα-helixtrans-57.7-28.4175.4-58.3-168.717100114.7R1966 N1989 I1996 W1999R1966-E1991 WeakPolarHBondContact CD-OE1 3.31Å; R1966-E1991 IonicContact CZ-OE1 3.01Å; R1966-E1991 IonicContact NE-OE1 2.75Å; R1966-E1991 IonicContact NH1-OE1 2.84Å; R1966-E1991 PolarHBondContact NH1-OE1 2.8Å; R1966-E1991 IonicContact NH1-OE2 2.64Å; R1966-E1991 PolarHBondContact NH1-OE2 3.41Å; N1989-E1991 PolarHBondContact O-N 3.46Å; E1991-I1996 HydrophobicContact CB-CD1 4.31Å; E1991-W1999 HydrophobicContact CB-CZ2 4.41Å; E1991-W1999 HydrophobicContact CG-CH2 3.62Å; E1991-W1999 HydrophobicContact CG-CZ2 3.86Å
1992Q77.8Confident76.7Confident92 Ų9260.4 Ų60.443%0.4331%0.306SS..Hα-helixtrans-94.7-5.6176.2-57.5-172.614.300112.5E1986 N1989 F1990E1986-Q1992 PolarHBondContact O-OE1 3.46Å; N1989-Q1992 PolarHBondContact O-N 3.42Å; F1990-Q1992 PolarHBondContact O-N 3.05Å
1993R86.4Confident79.5Confident5 Ų556.1 Ų56.12%0.01929%0.285CS..Hα-helixtrans-107.7-30-170.9-52.9-12262.5-130.5-8.5113L1883 P1930 T1931 N1989 F1990L1883-R1993 PolarHBondContact O-NH2 3.29Å; P1930-R1993 HydrophobicContact CB-CB 3.78Å; P1930-R1993 HydrophobicContact CB-CG 4.17Å; T1931-R1993 PolarHBondContact OG1-NH1 2.89Å; N1989-R1993 WeakPolarHBondContact O-CG 3.32Å; F1990-R1993 PolarHBondContact O-N 3.33Å
1994F87.1Confident82Confident4 Ų449.6 Ų49.62%0.01826%0.264CS..SBendtrans-148.5132.3-176.1-168.3-103.8000110.4V1890 L1891 I1933 Y1937 F1990 I1996 E1998 W1999 A2002V1890-F1994 HydrophobicContact CG2-CD2 3.81Å; V1890-F1994 HydrophobicContact CG2-CE2 4.28Å; L1891-F1994 HydrophobicContact CD2-CE2 4.33Å; I1933-F1994 HydrophobicContact CG2-CD1 4.11Å; I1933-F1994 HydrophobicContact CG2-CD2 3.89Å; I1933-F1994 HydrophobicContact CG2-CE1 4.09Å; I1933-F1994 HydrophobicContact CG2-CE2 3.87Å; I1933-F1994 HydrophobicContact CG2-CG 4.02Å; I1933-F1994 HydrophobicContact CG2-CZ 3.98Å; Y1937-F1994 HydrophobicContact CD1-CE2 4.04Å; Y1937-F1994 AromaticContact CD1-CZ 3.62Å; Y1937-F1994 HydrophobicContact CD1-CZ 3.62Å; Y1937-F1994 AromaticContact CE1-CZ 3.94Å; Y1937-F1994 HydrophobicContact CE1-CZ 3.94Å; Y1937-F1994 HydrophobicContact CG-CE2 4.43Å; Y1937-F1994 AromaticContact CG-CZ 3.96Å; Y1937-F1994 HydrophobicContact CG-CZ 3.96Å; F1990-F1994 HydrophobicContact CD2-CB 4.03Å; F1990-F1994 HydrophobicContact CE2-CB 3.47Å; F1990-F1994 VanDerWaalsContact CE2-CB 3.47Å; F1990-F1994 HydrophobicContact CE2-CD1 4.16Å; F1990-F1994 HydrophobicContact CE2-CG 4.07Å; F1990-F1994 HydrophobicContact CZ-CB 4.05Å; F1990-F1994 AromaticContact CZ-CD1 3.92Å; F1990-F1994 HydrophobicContact CZ-CD1 3.92Å; F1990-F1994 HydrophobicContact CZ-CG 4.3Å; F1990-F1994 PolarHBondContact O-N 2.83Å; F1994-I1996 PolarHBondContact O-N 3.43Å; F1994-E1998 HydrophobicContact CD1-CB 4.42Å; F1994-E1998 HydrophobicContact CE1-CB 3.54Å; F1994-E1998 HydrophobicContact CZ-CB 3.81Å; F1994-W1999 AromaticContact CD1-CD1 3.7Å; F1994-W1999 AromaticContact CD1-NE1 3.98Å; F1994-W1999 PolarHBondContact O-NE1 3.44Å; F1994-A2002 HydrophobicContact CE1-CB 3.75Å; F1994-A2002 HydrophobicContact CZ-CB 4.04Å
1995N84.7Confident84Confident80 Ų8049.4 Ų49.443%0.42826%0.26SS..  trans-61130.7-169.9179.319.2000112.2L1891 S1997 E1998L1891-N1995 HydrophobicContact CD1-CB 4.26Å; N1995-S1997 VanDerWaalsContact C-N 3.29Å; N1995-S1997 PolarHBondContact ND2-OG 3.48Å; N1995-S1997 PolarHBondContact O-N 3.25Å; N1995-S1997 PolarHBondContact OD1-N 2.88Å; N1995-E1998 HydrophobicContact CB-CG 4.17Å; N1995-E1998 WeakPolarHBondContact O-CB 3.39Å; N1995-E1998 PolarHBondContact O-N 2.71Å
1996I84.7Confident85.6Confident66 Ų6645.9 Ų45.934%0.33824%0.242SC..G310 helixtrans-65.3-28.4-172.2-62.7156.4000112.4E1991 F1994 E1998 W1999E1991-I1996 HydrophobicContact CB-CD1 4.31Å; F1994-I1996 PolarHBondContact O-N 3.43Å; I1996-E1998 PolarHBondContact O-N 3.36Å; I1996-W1999 HydrophobicContact CG1-CZ2 4.07Å; I1996-W1999 PolarHBondContact O-N 3.5Å
1997S83Confident86.7Confident74 Ų7446.8 Ų46.852%0.51725%0.254SS..G310 helixtrans-64.7-24.2173.364.30000113.4N1995N1995-S1997 VanDerWaalsContact C-N 3.29Å; N1995-S1997 PolarHBondContact ND2-OG 3.48Å; N1995-S1997 PolarHBondContact O-N 3.25Å; N1995-S1997 PolarHBondContact OD1-N 2.88Å
1998E89.8Confident86.9Confident45 Ų4557.1 Ų57.121%0.2129%0.293CS..G310 helixtrans-91.9-1.7-176.5-55.1-47.9120.800112.9L1891 Y1937 F1994 N1995 I1996 S2001 A2002L1891-E1998 HydrophobicContact CD1-CG 4.22Å; L1891-E1998 HydrophobicContact CD2-CG 4.22Å; Y1937-E1998 HydrophobicContact CE1-CB 4.31Å; Y1937-E1998 PolarHBondContact OH-OE2 3.27Å; F1994-E1998 HydrophobicContact CD1-CB 4.42Å; F1994-E1998 HydrophobicContact CE1-CB 3.54Å; F1994-E1998 HydrophobicContact CZ-CB 3.81Å; N1995-E1998 HydrophobicContact CB-CG 4.17Å; N1995-E1998 WeakPolarHBondContact O-CB 3.39Å; N1995-E1998 PolarHBondContact O-N 2.71Å; I1996-E1998 PolarHBondContact O-N 3.36Å; E1998-S2001 PolarHBondContact O-N 3.08Å; E1998-A2002 WeakPolarHBondContact O-CB 3.48Å; E1998-A2002 PolarHBondContact O-N 2.98Å
1999W92.4Very high87.3Confident7 Ų759.2 Ų59.23%0.02730%0.304CS..Hα-helixtrans-65.4-48.1-172.6-75.818.9000112.4I1959 R1962 I1963 F1990 E1991 F1994 I1996 A2002 K2003I1959-W1999 HydrophobicContact CG2-CB 4.27Å; I1959-W1999 WeakPolarHBondContact CG2-O 3.29Å; R1962-W1999 HydrophobicContact CB-CH2 4.31Å; R1962-W1999 HydrophobicContact CB-CZ3 4.18Å; I1963-W1999 HydrophobicContact CD1-CB 4.4Å; I1963-W1999 HydrophobicContact CG1-CB 4.46Å; I1963-W1999 HydrophobicContact CG1-CE3 3.71Å; I1963-W1999 HydrophobicContact CG1-CZ3 4.39Å; F1990-W1999 HydrophobicContact CB-CZ2 4.23Å; F1990-W1999 HydrophobicContact CD1-CD2 4.11Å; F1990-W1999 AromaticContact CD1-CE2 3.48Å; F1990-W1999 VanDerWaalsContact CD1-CE2 3.48Å; F1990-W1999 HydrophobicContact CD1-CE3 4.42Å; F1990-W1999 AromaticContact CD1-CH2 3.58Å; F1990-W1999 HydrophobicContact CD1-CH2 3.58Å; F1990-W1999 AromaticContact CD1-CZ2 3.19Å; F1990-W1999 HydrophobicContact CD1-CZ2 3.19Å; F1990-W1999 HydrophobicContact CD1-CZ3 4.19Å; F1990-W1999 AromaticContact CE1-CD1 4Å; F1990-W1999 AromaticContact CE1-CD2 3.72Å; F1990-W1999 HydrophobicContact CE1-CD2 3.72Å; F1990-W1999 AromaticContact CE1-CE2 3.37Å; F1990-W1999 HydrophobicContact CE1-CE3 4.28Å; F1990-W1999 HydrophobicContact CE1-CG 4.1Å; F1990-W1999 HydrophobicContact CE1-CH2 4.2Å; F1990-W1999 AromaticContact CE1-CZ2 3.65Å; F1990-W1999 HydrophobicContact CE1-CZ2 3.65Å; F1990-W1999 HydrophobicContact CE1-CZ3 4.5Å; F1990-W1999 AromaticContact CE1-NE1 3.59Å; F1990-W1999 HydrophobicContact CG-CH2 4.4Å; F1990-W1999 AromaticContact CG-CZ2 3.84Å; F1990-W1999 HydrophobicContact CG-CZ2 3.84Å; F1990-W1999 AromaticContact CZ-NE1 3.91Å; E1991-W1999 HydrophobicContact CB-CZ2 4.41Å; E1991-W1999 HydrophobicContact CG-CH2 3.62Å; E1991-W1999 HydrophobicContact CG-CZ2 3.86Å; F1994-W1999 AromaticContact CD1-CD1 3.7Å; F1994-W1999 AromaticContact CD1-NE1 3.98Å; F1994-W1999 PolarHBondContact O-NE1 3.44Å; I1996-W1999 HydrophobicContact CG1-CZ2 4.07Å; I1996-W1999 PolarHBondContact O-N 3.5Å; W1999-A2002 PolarHBondContact O-N 2.81Å; W1999-K2003 WeakPolarHBondContact O-CB 3.34Å; W1999-K2003 PolarHBondContact O-N 2.59Å
2000D90Very high87.7Confident111 Ų11158.4 Ų58.459%0.59430%0.299SS*.Hα-helixtrans-68.7-37.9178.4-67.7-63000111.9K2003 A2004D2000-K2003 PolarHBondContact O-N 3.22Å; D2000-A2004 WeakPolarHBondContact O-CB 3.01Å; D2000-A2004 PolarHBondContact O-N 2.75Å
2001S90.9Very high87.9Confident58 Ų5861.3 Ų61.341%0.40631%0.314SS..Hα-helixtrans-61.6-44.7173-57.40000112.1Y1937 E1998 A2004 Y2005Y1937-S2001 WeakPolarHBondContact OH-CB 3.44Å; E1998-S2001 PolarHBondContact O-N 3.08Å; S2001-A2004 PolarHBondContact O-N 2.85Å; S2001-Y2005 WeakPolarHBondContact O-CB 3.21Å; S2001-Y2005 PolarHBondContact O-N 2.86Å
2002A92.3Very high88.3Confident0 Ų059.6 Ų59.60%031%0.308CS..Hα-helixtrans-68.3-39.5176.700000112.2Y1937 I1959 F1994 E1998 W1999 A2004 Y2005 F2006Y1937-A2002 HydrophobicContact CD2-CB 3.73Å; Y1937-A2002 VanDerWaalsContact CE2-CA 3.43Å; Y1937-A2002 HydrophobicContact CE2-CB 3.73Å; Y1937-A2002 HydrophobicContact CG-CB 4.4Å; I1959-A2002 HydrophobicContact CD1-CB 3.88Å; F1994-A2002 HydrophobicContact CE1-CB 3.75Å; F1994-A2002 HydrophobicContact CZ-CB 4.04Å; E1998-A2002 WeakPolarHBondContact O-CB 3.48Å; E1998-A2002 PolarHBondContact O-N 2.98Å; W1999-A2002 PolarHBondContact O-N 2.81Å; A2002-A2004 VanDerWaalsContact C-N 3.34Å; A2002-A2004 PolarHBondContact O-N 2.74Å; A2002-Y2005 PolarHBondContact O-N 2.81Å; A2002-F2006 WeakPolarHBondContact O-CD2 3.47Å; A2002-F2006 PolarHBondContact O-N 2.7Å
2003K94.2Very high89Confident49 Ų4957.6 Ų57.621%0.21330%0.3CS..Hα-helixtrans-58.1-48.4170.8-174.2-170.3174.8-172.80110.3A1956 I1959 E1960 W1999 D2000 Y2005 F2006 S2007A1956-K2003 HydrophobicContact CB-CG 4.45Å; I1959-K2003 HydrophobicContact CB-CB 4.44Å; I1959-K2003 HydrophobicContact CG2-CB 3.99Å; E1960-K2003 HydrophobicContact CB-CD 4.3Å; E1960-K2003 IonicContact OE1-NZ 2.95Å; E1960-K2003 PolarHBondContact OE1-NZ 3.43Å; E1960-K2003 WeakPolarHBondContact OE2-CE 3.48Å; E1960-K2003 IonicContact OE2-NZ 2.67Å; E1960-K2003 PolarHBondContact OE2-NZ 3.13Å; W1999-K2003 WeakPolarHBondContact O-CB 3.34Å; W1999-K2003 PolarHBondContact O-N 2.59Å; D2000-K2003 PolarHBondContact O-N 3.22Å; K2003-Y2005 VanDerWaalsContact C-N 3.32Å; K2003-Y2005 PolarHBondContact O-N 2.91Å; K2003-F2006 PolarHBondContact O-N 2.85Å; K2003-S2007 VanDerWaalsContact O-CB 3.28Å; K2003-S2007 WeakPolarHBondContact O-CB 3.35Å; K2003-S2007 PolarHBondContact O-N 3.06Å; K2003-S2007 PolarHBondContact O-OG 2.89Å
2004A91.5Very high89.1Confident44 Ų4461.1 Ų61.136%0.36432%0.319SS..Hα-helixtrans-65.1-32.5178.900000113.1D2000 S2001 A2002 R2008D2000-A2004 WeakPolarHBondContact O-CB 3.01Å; D2000-A2004 PolarHBondContact O-N 2.75Å; S2001-A2004 PolarHBondContact O-N 2.85Å; A2002-A2004 VanDerWaalsContact C-N 3.34Å; A2002-A2004 PolarHBondContact O-N 2.74Å; A2004-R2008 WeakPolarHBondContact O-CG 3.44Å
2005Y93.6Very high89.3Confident52 Ų5265.2 Ų65.220%0.20434%0.341CS..Hα-helixtrans-67.1-53173.7-179.5-94000111.8C1936 Y1937 H1939 T1943 S2001 A2002 K2003 S2007 R2008C1936-Y2005 WeakPolarHBondContact O-CE1 3.44Å; Y1937-Y2005 HydrophobicContact CD2-CD1 4.23Å; Y1937-Y2005 HydrophobicContact CD2-CG 4.16Å; H1939-Y2005 PolarHBondContact N-OH 2.87Å; T1943-Y2005 HydrophobicContact CG2-CE1 4.44Å; T1943-Y2005 PolarHBondContact OG1-OH 2.84Å; S2001-Y2005 WeakPolarHBondContact O-CB 3.21Å; S2001-Y2005 PolarHBondContact O-N 2.86Å; A2002-Y2005 PolarHBondContact O-N 2.81Å; K2003-Y2005 VanDerWaalsContact C-N 3.32Å; K2003-Y2005 PolarHBondContact O-N 2.91Å; Y2005-S2007 PolarHBondContact O-N 3.19Å; Y2005-R2008 PolarHBondContact O-N 3.16Å
2006F93.9Very high89.6Confident1 Ų164.1 Ų64.10%0.00433%0.334CS..Hα-helixtrans-77.9-2.1-178.1-66.2-62.1000114.7I1933 C1936 L1946 P1952 S1953 L1955 A1956 I1959 A2002 K2003I1933-F2006 HydrophobicContact CB-CE2 4.32Å; I1933-F2006 HydrophobicContact CG1-CE2 4.08Å; I1933-F2006 HydrophobicContact CG2-CE2 4.16Å; C1936-F2006 HydrophobicContact CB-CE1 3.83Å; C1936-F2006 HydrophobicContact CB-CZ 3.96Å; L1946-F2006 HydrophobicContact CD2-CE1 4.49Å; P1952-F2006 CarbonylContact C-O 3.52Å; P1952-F2006 HydrophobicContact CB-CD1 4.22Å; S1953-F2006 PolarHBondContact N-O 3.09Å; L1955-F2006 HydrophobicContact CB-CB 4.48Å; L1955-F2006 HydrophobicContact CB-CD2 4.29Å; L1955-F2006 HydrophobicContact CB-CG 4.22Å; L1955-F2006 HydrophobicContact CD1-CD1 4.34Å; L1955-F2006 HydrophobicContact CD1-CE1 4.1Å; L1955-F2006 HydrophobicContact CD1-CZ 4.24Å; A1956-F2006 HydrophobicContact CB-CB 3.9Å; I1959-F2006 HydrophobicContact CD1-CD2 4Å; A2002-F2006 WeakPolarHBondContact O-CD2 3.47Å; A2002-F2006 PolarHBondContact O-N 2.7Å; K2003-F2006 PolarHBondContact O-N 2.85Å
2007S89Confident90.1Very high73 Ų7363.9 Ų63.951%0.5133%0.334SS..THydrogen-bonded Turntrans-94.3-4.2172.7-57.80000113.7A1956 K2003 Y2005A1956-S2007 WeakPolarHBondContact CB-OG 3.46Å; K2003-S2007 VanDerWaalsContact O-CB 3.28Å; K2003-S2007 WeakPolarHBondContact O-CB 3.35Å; K2003-S2007 PolarHBondContact O-N 3.06Å; K2003-S2007 PolarHBondContact O-OG 2.89Å; Y2005-S2007 PolarHBondContact O-N 3.19Å
2008R80.2Confident90.7Very high253 Ų25363 Ų6396%0.95532%0.317SS*.  trans-930175.7-69.7168.7-177.8-176.11.8111A2004 Y2005A2004-R2008 WeakPolarHBondContact O-CG 3.44Å; Y2005-R2008 PolarHBondContact O-N 3.16Å

Retrieved 2,008 of 2,008 residues in 2032 ms (Link to these results)