A0A3Q0KKF8_SCHMA Loading...

Tyrosine-protein kinase BAZ1B

AlphaFold DB , UniProt , Accession A0A3Q0KKF8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,671 aa.

>A0A3Q0KKF8_SCHMA|A0A3Q0KKF8
MPLISTKLHVLNPVWRKKKPRDNEQHEEPEPKPAFIVPETQEICTSAEELQRKITIYNENIWTCRVTGKPNLTYREALKTEATAIRTLKKCFPKFFEKTILERVHLSTLPLESLVHSCWTTIHEQFHIAEPVKLKVDSVSNAPIRGIIDDIIKSQTVPTPVPDNTSPNNSDKENVTKKNSPIKKKYAYNVKVLSDIPVVVHDVPACSIDRINRAPSKDHIKMFIRSHAMRYGPNFTGPWIVNEELLRRHKIPLKSPGCQVDKVKLKQMSKALEEEYFVRVMNSRRQSNGEGMSDDVTSSTPLNFKRIKRFSVLREDNTSKMLEENEDNLPLAQLKDRSQPKQSLEDSGKKKMKQSTLFQFGKKTPTKDEISDKSTINRPKKNTNERSALPRVAQHLIKMFGENRNNPAIETQIRLCAKFISDIDILKLPVELRDPVRSKKEAFAFKKKLLAMSPTQRKQALQEMREKQKIERIQANKLLDDQHLMTSLPQCPRLPEPSKLELPPSFNESLFGRLLGLTEFFHIFHSLLVEGSVDDTEVENPSENNVLSGFCRFPVESPVAGVGEPCYSDDDDSGNTDEEEEEAGLTESNAPLPKICIKSLRRLGLKRLLNAITTNNPSAGAYRSLARPLSVLLRLVLRDEQIGKKRELGLKLSKFPVTPYTAPELLRLTLLNEIPSNHARTTVLEQLQNHAVPVADPNNSSVTQLIHQLSKSDLHELFPEIRVIALEWAVDKIFDLDLIDDHIMACQRRAADAWQRKIQVLRDKNLRKKDKKDNANEANKTTNNNNLSNNISANQLDESKSKTDTPTTTAEDITENENDLASIVKRRRILAARAVIEREEKENLERQRRLEMAQEHAEERAINTVSRLYDIRSTEAKCVLRNNPIGYDRYYRRVWYFRCSPDRLFLEANWASSENESVPITTLSDETIPQPAHTFVKNDTLNGNTISSSWSNWYFYDRPEQLDELLNSLLTRGVRESHLKSQLLADGFLESLKKRWKSGLSNGLVPKADTTNGTPANIEKRPSHHKRNLPAGAALAGALLKNILDTEVRLRSGGLGGVPDFTKWQERLAQVQTSYESQQETPNVNLSSKPNLSSSPSLCELPNKAGLVNALIEVAENIIPRFLNVPDLCTKSNFNSNQNETDDCHNIKNSFPDHAPFTRFSSGEESDASESNDRSQELEKAVLDPEAHELRTRAWITAWRTEVQNARTLTRLNLLHACLDACVRWEKSVEDARCRICRRKTDDDNLLLCDGCNLAFHLYCLRPPLKRVPTGDWFCPTCGPASRALEKRKREERLARSARRRKRALSSDDEEQLNSDNNEESSGESEVAQKVKRRNPRSSRSKGGNDSSAFNRKRSVSPANRNSASSRNIRHDTSCLVCSDSTGDIVLCSNCPNIFHLDCHDPPLHHIPRGYGWQCSICRSNKKRSTITSYFQSREYRRKTYQAIFKKRAVSPDERSEDEFLNSTSFTRSTRNRNGSRRNVAIFDTDDEQQSSEASSDVDIRPNNQCPISRRRSASRSASALSSQLNKYPKRRRRHLSDQEDTSETEQMDEKSQSLCSHILDAVYKHKHSWPFRKPVDRSQVPDYYEIITDPIDLSMMRDWLSKGRYNTETTSAGLKKLVHDLGTMFYNAELYNAADSDIWLAGEQLENFVKSQFAHINTDVIYSRPALGDA
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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
1M71.2Confident80.9Confident100 Ų10041.8 Ų41.849%0.49323%0.226SC..  0115.70-70.2-179.5-170.400107.8L8 H9 V10 M229 L265M1-L8 HydrophobicContact CB-CD2 3.92Å; M1-L8 HydrophobicContact CG-CD2 4.48Å; M1-L8 HydrophobicContact SD-CD2 3.7Å; M1-H9 WeakPolarHBondContact CB-O 3.49Å; M1-V10 HydrophobicContact CE-CG2 4.1Å; M1-V10 HydrophobicContact SD-CG2 4.04Å; M1-M229 HydrophobicContact SD-CE 4.39Å; M1-L265 HydrophobicContact CE-CD2 3.97Å; M1-L265 HydrophobicContact SD-CD2 3.85Å
2P81.5Confident81.1Confident16 Ų1639.4 Ų39.410%0.10421%0.213CC..  trans-74.6169.2173.532-37.9000112.8H9 L11 W62 Y74P2-H9 WeakPolarHBondContact CD-O 3.45Å; P2-H9 HydrophobicContact CG-CB 4.32Å; P2-H9 PolarHBondContact O-N 3.02Å; P2-L11 HydrophobicContact CG-CD2 3.93Å; P2-W62 HydrophobicContact CB-CE3 3.85Å; P2-W62 HydrophobicContact CB-CZ3 3.55Å; P2-W62 HydrophobicContact CG-CE3 4.29Å; P2-W62 HydrophobicContact CG-CH2 4.19Å; P2-W62 HydrophobicContact CG-CZ3 3.48Å; P2-W62 VanDerWaalsContact CG-CZ3 3.48Å; P2-Y74 HydrophobicContact CB-CD2 4.23Å; P2-Y74 HydrophobicContact CB-CE2 3.73Å; P2-Y74 HydrophobicContact CG-CD2 4.5Å; P2-Y74 HydrophobicContact CG-CE2 3.82Å
3L83.9Confident81.1Confident25 Ų2542.8 Ų42.813%0.13124%0.239CC..EExtended strand (participates in β ladder)trans-108.8122.5175.6-61.2179.2000110.9K7 L8 W62 T63 R65L3-K7 CarbonylContact C-O 3.54Å; L3-K7 VanDerWaalsContact CA-O 3.31Å; L3-K7 WeakPolarHBondContact CA-O 3.27Å; L3-L8 HydrophobicContact CD2-CB 4.47Å; L3-L8 HydrophobicContact CD2-CD1 3.82Å; L3-L8 HydrophobicContact CD2-CG 3.85Å; L3-W62 WeakPolarHBondContact O-CA 3.32Å; L3-T63 PolarHBondContact O-N 3.31Å; L3-R65 HydrophobicContact CD1-CB 4.26Å; L3-R65 HydrophobicContact CD1-CG 4.37Å; L3-R65 HydrophobicContact CG-CB 4.36Å
4I83.1Confident81.2Confident0 Ų043.7 Ų43.70%025%0.245CC..EExtended strand (participates in β ladder)trans-91.5114.3164.9-64.5174.9000106.5T6 K7 H9 I56 I61 W62 L272 Y276I4-T6 PolarHBondContact O-N 3.07Å; I4-T6 VanDerWaalsContact O-N 3.13Å; I4-K7 PolarHBondContact N-O 3.13Å; I4-K7 PolarHBondContact O-N 3.1Å; I4-H9 HydrophobicContact CD1-CB 3.78Å; I4-H9 WeakPolarHBondContact CD1-ND1 3.45Å; I4-H9 HydrophobicContact CG1-CB 3.85Å; I4-I56 HydrophobicContact CD1-CG2 4.5Å; I4-I61 HydrophobicContact CG2-CD1 4.16Å; I4-W62 HydrophobicContact CD1-CH2 3.8Å; I4-W62 HydrophobicContact CD1-CZ2 4.23Å; I4-W62 HydrophobicContact CD1-CZ3 4.08Å; I4-W62 HydrophobicContact CG1-CD2 4.17Å; I4-W62 HydrophobicContact CG1-CE3 3.69Å; I4-W62 HydrophobicContact CG1-CH2 3.56Å; I4-W62 HydrophobicContact CG1-CZ2 4.02Å; I4-W62 HydrophobicContact CG1-CZ3 3.34Å; I4-L272 HydrophobicContact CB-CD2 3.71Å; I4-L272 HydrophobicContact CG2-CD2 3.84Å; I4-Y276 HydrophobicContact CG2-CD1 4.11Å; I4-Y276 HydrophobicContact CG2-CD2 3.66Å; I4-Y276 HydrophobicContact CG2-CE1 4.2Å; I4-Y276 HydrophobicContact CG2-CE2 3.78Å; I4-Y276 HydrophobicContact CG2-CG 3.84Å
5S80.7Confident80.9Confident38 Ų3843.7 Ų43.727%0.26624%0.24SC..THydrogen-bonded Turntrans50-117.4-165.4-176.60000108.9I61 T63 Y276S5-I61 PolarHBondContact N-O 3.45Å; S5-T63 WeakPolarHBondContact O-CB 3.47Å; S5-T63 PolarHBondContact O-OG1 2.71Å; S5-Y276 WeakPolarHBondContact CB-OH 3.46Å; S5-Y276 PolarHBondContact OG-OH 3.4Å
6T77.9Confident80.5Confident89 Ų8953.8 Ų53.855%0.54627%0.273SS..THydrogen-bonded Turntrans-95.3-2.7-179.555.50000114.3I4 F235I4-T6 PolarHBondContact O-N 3.07Å; I4-T6 VanDerWaalsContact O-N 3.13Å; T6-F235 WeakPolarHBondContact O-CE1 3.44Å; T6-F235 WeakPolarHBondContact O-CZ 3.33Å
7K80.4Confident79.9Confident89 Ų8960.9 Ų60.939%0.38730%0.302SS..EExtended strand (participates in β ladder)trans-110.5144-167.4-67.6172.6-178.1177.40112.7L3 I4 F235 L272L3-K7 CarbonylContact C-O 3.54Å; L3-K7 VanDerWaalsContact CA-O 3.31Å; L3-K7 WeakPolarHBondContact CA-O 3.27Å; I4-K7 PolarHBondContact N-O 3.13Å; I4-K7 PolarHBondContact O-N 3.1Å; K7-F235 HydrophobicContact CB-CZ 4.41Å; K7-F235 HydrophobicContact CG-CE2 4.29Å; K7-F235 HydrophobicContact CG-CZ 3.7Å; K7-L272 HydrophobicContact CB-CD1 4.37Å; K7-L272 HydrophobicContact CB-CD2 3.74Å; K7-L272 HydrophobicContact CD-CD1 3.3Å; K7-L272 HydrophobicContact CD-CD2 4.2Å; K7-L272 HydrophobicContact CD-CG 4.38Å; K7-L272 HydrophobicContact CG-CD1 4.47Å
8L80.8Confident79Confident30 Ų3065.7 Ų65.716%0.15732%0.321CS..EExtended strand (participates in β ladder)trans-65.8133.6178.2-90.692.4000112.2M1 L3 M229M1-L8 HydrophobicContact CB-CD2 3.92Å; M1-L8 HydrophobicContact CG-CD2 4.48Å; M1-L8 HydrophobicContact SD-CD2 3.7Å; L3-L8 HydrophobicContact CD2-CB 4.47Å; L3-L8 HydrophobicContact CD2-CD1 3.82Å; L3-L8 HydrophobicContact CD2-CG 3.85Å; L8-M229 HydrophobicContact CD2-CE 3.48Å; L8-M229 VanDerWaalsContact CD2-CE 3.48Å
9H83.8Confident77.8Confident0 Ų072.2 Ų72.20%035%0.347CS..  trans-111.1131.5171.5-175.973000110.5M1 P2 I4 W62 S269 E273M1-H9 WeakPolarHBondContact CB-O 3.49Å; P2-H9 WeakPolarHBondContact CD-O 3.45Å; P2-H9 HydrophobicContact CG-CB 4.32Å; P2-H9 PolarHBondContact O-N 3.02Å; I4-H9 HydrophobicContact CD1-CB 3.78Å; I4-H9 WeakPolarHBondContact CD1-ND1 3.45Å; I4-H9 HydrophobicContact CG1-CB 3.85Å; H9-W62 HydrophobicContact CB-CZ3 4.22Å; H9-W62 AromaticContact CD2-CH2 3.73Å; H9-S269 WeakPolarHBondContact CA-OG 3.44Å; H9-S269 PolarHBondContact CE1-OG 3.11Å; H9-S269 PolarHBondContact ND1-OG 2.94Å; H9-E273 IonicContact CE1-OE2 3.8Å; H9-E273 PolarHBondContact CE1-OE2 3.48Å
10V84.3Confident76.8Confident25 Ų2574.6 Ų74.615%0.15237%0.369CS..  trans-100.1113.2178.4-177.60000108.1M1 L265 K266 S269M1-V10 HydrophobicContact CE-CG2 4.1Å; M1-V10 HydrophobicContact SD-CG2 4.04Å; V10-L265 HydrophobicContact CG2-CB 4.45Å; V10-L265 HydrophobicContact CG2-CD2 3.98Å; V10-L265 HydrophobicContact CG2-CG 3.72Å; V10-K266 HydrophobicContact CG1-CB 4.39Å; V10-K266 HydrophobicContact CG1-CG 4.33Å; V10-S269 PolarHBondContact N-OG 2.79Å; V10-S269 PolarHBondContact O-OG 3.37Å
11L82.2Confident75.8Confident48 Ų4881 Ų8125%0.25139%0.389SS..PPolyproline II helixtrans-62.6149176-52.7178.5000110.7P2 T40 E42 Y57P2-L11 HydrophobicContact CG-CD2 3.93Å; L11-T40 HydrophobicContact CD2-CG2 4.23Å; L11-E42 HydrophobicContact CB-CG 3.96Å; L11-E42 WeakPolarHBondContact CD2-OE1 3.43Å; L11-Y57 WeakPolarHBondContact CD2-OH 3.4Å
12N82.8Confident75.2Confident13 Ų1384 Ų847%0.0741%0.407CS..PPolyproline II helixtrans-63.6166.7166.1-82-11.4000111.2V14 E42 E49 K53N12-V14 PolarHBondContact O-N 3.29Å; N12-E42 HydrophobicContact CB-CB 4.13Å; N12-E42 HydrophobicContact CB-CG 4.1Å; N12-E42 WeakPolarHBondContact CB-OE2 3.25Å; N12-E42 PolarHBondContact N-OE2 2.91Å; N12-E49 PolarHBondContact ND2-OE1 3.32Å; N12-K53 VanDerWaalsContact ND2-CE 3.26Å; N12-K53 WeakPolarHBondContact ND2-CE 3.46Å
13P80.9Confident73.8Confident84 Ų8490.7 Ų90.755%0.54544%0.442SS..PPolyproline II helixtrans-51.4129.7173-25.435.5000110.9I43P13-I43 PolarHBondContact O-N 3.05Å
14V82.4Confident72.2Confident55 Ų5596.6 Ų96.633%0.33347%0.469SS..BIsolated β-bridgetrans-95.2128-175.3177.20000108.9N12 R16 T40 Q41 E42N12-V14 PolarHBondContact O-N 3.29Å; V14-R16 HydrophobicContact CG1-CG 4.48Å; V14-T40 WeakPolarHBondContact CG1-O 3.32Å; V14-Q41 CarbonylContact C-O 3.6Å; V14-Q41 WeakPolarHBondContact CA-O 3.41Å; V14-Q41 HydrophobicContact CG1-CB 3.74Å; V14-E42 HydrophobicContact CG2-CG 4.28Å
15W77.1Confident70.4Confident43 Ų43105.5 Ų105.516%0.16351%0.51CS..PPolyproline II helixtrans-69.2130.4171.9-176.674.9000109.8K17 K32 P33 I36 Q41 I43W15-K17 HydrophobicContact CH2-CD 4.23Å; W15-K17 HydrophobicContact CH2-CG 3.59Å; W15-K17 HydrophobicContact CZ2-CG 4Å; W15-K17 HydrophobicContact CZ3-CG 4.21Å; W15-K32 HydrophobicContact CD2-CG 4.35Å; W15-K32 HydrophobicContact CE3-CG 4.29Å; W15-K32 HydrophobicContact CH2-CB 4.08Å; W15-K32 HydrophobicContact CH2-CD 3.98Å; W15-K32 HydrophobicContact CH2-CG 3.83Å; W15-K32 HydrophobicContact CZ2-CB 3.9Å; W15-K32 HydrophobicContact CZ2-CG 3.94Å; W15-K32 HydrophobicContact CZ3-CD 4Å; W15-K32 HydrophobicContact CZ3-CG 4.05Å; W15-P33 HydrophobicContact CG-CG 4.24Å; W15-I36 HydrophobicContact CB-CD1 4.02Å; W15-I36 HydrophobicContact CD2-CD1 4.12Å; W15-I36 HydrophobicContact CE3-CD1 4.2Å; W15-I36 HydrophobicContact CG-CD1 4.07Å; W15-Q41 PolarHBondContact N-O 3.49Å; W15-I43 HydrophobicContact CB-CD1 3.99Å; W15-I43 HydrophobicContact CB-CG1 3.81Å
16R74.2Confident69Low206 Ų206112.9 Ų112.978%0.77754%0.54SS*.  trans-128.8126.7174.9-65.8-172.2178.6-137.5-0.2108.2V14 K18V14-R16 HydrophobicContact CG1-CG 4.48Å; R16-K18 PolarHBondContact O-N 2.89Å; R16-K18 VanDerWaalsContact O-N 3.14Å
17K70.7Confident67.8Low174 Ų174116.1 Ų116.176%0.75755%0.549SS*.PPolyproline II helixtrans-56.8118.6164.1-100.5-179.4172.9-174.30107.9W15 K19W15-K17 HydrophobicContact CH2-CD 4.23Å; W15-K17 HydrophobicContact CH2-CG 3.59Å; W15-K17 HydrophobicContact CZ2-CG 4Å; W15-K17 HydrophobicContact CZ3-CG 4.21Å; K17-K19 PolarHBondContact O-N 3.47Å
18K63.9Low66.8Low148 Ų148120.6 Ų120.664%0.64357%0.572SS**PPolyproline II helixtrans-56.7126.1165.6-76.7173.6176.9163.60106.7R16 E30R16-K18 PolarHBondContact O-N 2.89Å; R16-K18 VanDerWaalsContact O-N 3.14Å; K18-E30 IonicContact NZ-OE1 2.7Å; K18-E30 PolarHBondContact NZ-OE1 3.4Å
19K55.3Low65.7Low189 Ų189124.6 Ų124.682%0.82260%0.599SS**PPolyproline II helixtrans-67.4131.8168.2-78.4-173.5174.1-171.80106.6K17 R21K17-K19 PolarHBondContact O-N 3.47Å; K19-R21 PolarHBondContact O-N 3.03Å; K19-R21 VanDerWaalsContact O-N 3.13Å
20P57.6Low64.7Low120 Ų120130.3 Ų130.378%0.77963%0.626SS**PPolyproline II helixtrans-55.9123.3172.922.9-29.9000107.6
21R56Low64.1Low209 Ų209134.8 Ų134.879%0.78966%0.656SS**PPolyproline II helixtrans-82.8135.6166.6-82.5179168.3177.5-5.1106.1K19 N23K19-R21 PolarHBondContact O-N 3.03Å; K19-R21 VanDerWaalsContact O-N 3.13Å; R21-N23 PolarHBondContact O-N 2.88Å
22D59.2Low63.7Low163 Ų163138.7 Ų138.787%0.87267%0.67SS**THydrogen-bonded Turntrans-61-1-166.6-62.5-44000116
23N53.4Low63.5Low157 Ų157140 Ų14084%0.8468%0.679SS**THydrogen-bonded Turntrans-126.614.6-171.6-79.7-0.9000116.9R21R21-N23 PolarHBondContact O-N 2.88Å
24E49.3Very low63.4Low148 Ų148140.2 Ų140.269%0.69269%0.688SS**  trans-118.397.4175.2-77170.5169.400110.5
25Q45.4Very low63.6Low188 Ų188141.3 Ų141.388%0.87969%0.689SS**  trans-71.6130172.3-67.3178.4-400109.6
26H51.6Low64Low193 Ų193140.1 Ų140.189%0.89469%0.686SS**  trans69.146.5166.3-75.8-80.9000119.6
27E52.8Low64.5Low157 Ų157130.3 Ų130.373%0.73465%0.649SS**PPolyproline II helixtrans-94119.3150.3-91.7-167.7164.700110.6
28E58.5Low65Low183 Ų183125.4 Ų125.486%0.85564%0.635SS**PPolyproline II helixtrans-60.6130.3174.2-159.5175.9-162.500109.5E30E28-E30 PolarHBondContact O-N 3.14Å
29P57.9Low65.7Low114 Ų114120.3 Ų120.374%0.7461%0.613SS**PPolyproline II helixtrans-61.4122.2-171.521.7-32.1000111.4
30E63.1Low67Low120 Ų120112 Ų11256%0.56158%0.578SS**  trans-43.8123.2177.4-78.9176.7-159.300110.9K18 E28 K32K18-E30 IonicContact NZ-OE1 2.7Å; K18-E30 PolarHBondContact NZ-OE1 3.4Å; E28-E30 PolarHBondContact O-N 3.14Å; E30-K32 PolarHBondContact O-N 3.48Å
31P71.7Confident68.3Low119 Ų119109.4 Ų109.477%0.77356%0.555SS**PPolyproline II helixtrans-61.3132.9-176.722.1-31.6000110.2P33P31-P33 WeakPolarHBondContact O-CD 3.33Å
32K74.3Confident69.8Low129 Ų12999.4 Ų99.456%0.56152%0.518SS*.PPolyproline II helixtrans-59.7123.7179.6-176.7177178.8-174.70109.4W15 E30 A34 I36W15-K32 HydrophobicContact CD2-CG 4.35Å; W15-K32 HydrophobicContact CE3-CG 4.29Å; W15-K32 HydrophobicContact CH2-CB 4.08Å; W15-K32 HydrophobicContact CH2-CD 3.98Å; W15-K32 HydrophobicContact CH2-CG 3.83Å; W15-K32 HydrophobicContact CZ2-CB 3.9Å; W15-K32 HydrophobicContact CZ2-CG 3.94Å; W15-K32 HydrophobicContact CZ3-CD 4Å; W15-K32 HydrophobicContact CZ3-CG 4.05Å; E30-K32 PolarHBondContact O-N 3.48Å; K32-A34 PolarHBondContact O-N 3.43Å; K32-I36 HydrophobicContact CD-CD1 4.19Å; K32-I36 HydrophobicContact CG-CD1 3.5Å
33P78.2Confident71Confident40 Ų4094.5 Ų94.526%0.2649%0.491SS..PPolyproline II helixtrans-52.3139.1177-25.428.4000112.4W15 P31 F35 I36 I43W15-P33 HydrophobicContact CG-CG 4.24Å; P31-P33 WeakPolarHBondContact O-CD 3.33Å; P33-F35 VanDerWaalsContact C-N 3.33Å; P33-F35 PolarHBondContact O-N 2.94Å; P33-I36 HydrophobicContact CB-CD1 4.01Å; P33-I36 HydrophobicContact CB-CG1 4.09Å; P33-I36 HydrophobicContact CG-CD1 4.18Å; P33-I36 VanDerWaalsContact O-CD1 3.25Å; P33-I36 WeakPolarHBondContact O-CD1 3.38Å; P33-I36 WeakPolarHBondContact O-CG1 3.44Å; P33-I43 HydrophobicContact CB-CG2 4.16Å; P33-I43 HydrophobicContact CG-CD1 4.22Å; P33-I43 HydrophobicContact CG-CG1 4.3Å
34A79.2Confident72.4Confident89 Ų8987.3 Ų87.374%0.73645%0.453SS*.SBendtrans-62.9-35.5-173.200000113.8K32K32-A34 PolarHBondContact O-N 3.43Å
35F85.2Confident73.9Confident78 Ų7886.2 Ų86.234%0.34246%0.457SS..  trans-111.287-173.5-51-60.8000111.2P33 C44 A47 L50P33-F35 VanDerWaalsContact C-N 3.33Å; P33-F35 PolarHBondContact O-N 2.94Å; F35-C44 HydrophobicContact CB-CB 3.83Å; F35-C44 WeakPolarHBondContact O-CB 3.31Å; F35-C44 PolarHBondContact O-N 3.47Å; F35-A47 HydrophobicContact CD1-CB 4.04Å; F35-A47 HydrophobicContact CE1-CB 3.58Å; F35-A47 HydrophobicContact CZ-CB 4.12Å; F35-L50 HydrophobicContact CB-CB 4.28Å; F35-L50 HydrophobicContact CB-CD2 4.23Å; F35-L50 HydrophobicContact CD1-CD2 4.27Å
36I87Confident75.8Confident19 Ų1979.1 Ų79.110%0.09743%0.428CS..BIsolated β-bridgetrans-119.1128.8-179.4-66.9171.5000110.6W15 K32 P33 P38 Q41 E42 L50W15-I36 HydrophobicContact CB-CD1 4.02Å; W15-I36 HydrophobicContact CD2-CD1 4.12Å; W15-I36 HydrophobicContact CE3-CD1 4.2Å; W15-I36 HydrophobicContact CG-CD1 4.07Å; K32-I36 HydrophobicContact CD-CD1 4.19Å; K32-I36 HydrophobicContact CG-CD1 3.5Å; P33-I36 HydrophobicContact CB-CD1 4.01Å; P33-I36 HydrophobicContact CB-CG1 4.09Å; P33-I36 HydrophobicContact CG-CD1 4.18Å; P33-I36 VanDerWaalsContact O-CD1 3.25Å; P33-I36 WeakPolarHBondContact O-CD1 3.38Å; P33-I36 WeakPolarHBondContact O-CG1 3.44Å; I36-P38 WeakPolarHBondContact O-CD 3.44Å; I36-Q41 HydrophobicContact CG2-CB 4.31Å; I36-E42 WeakPolarHBondContact CA-O 3.03Å; I36-L50 VanDerWaalsContact C-CD1 3.44Å; I36-L50 WeakPolarHBondContact O-CD1 3.39Å
37V85.2Confident77.2Confident0 Ų072.6 Ų72.60%041%0.407CS..  trans-67.6121174-176.50000109.2E39 T40 Q41 E42 L50 K53V37-E39 VanDerWaalsContact C-N 3.31Å; V37-E39 PolarHBondContact O-N 3.3Å; V37-T40 WeakPolarHBondContact CB-OG1 3.21Å; V37-T40 WeakPolarHBondContact CG1-OG1 3.44Å; V37-T40 PolarHBondContact O-N 3.18Å; V37-Q41 VanDerWaalsContact O-CA 3.23Å; V37-Q41 WeakPolarHBondContact O-CA 3.32Å; V37-Q41 PolarHBondContact O-N 3.15Å; V37-E42 HydrophobicContact CB-CB 4.17Å; V37-E42 HydrophobicContact CG2-CB 3.93Å; V37-E42 PolarHBondContact N-O 3.23Å; V37-L50 HydrophobicContact CB-CD1 4.35Å; V37-L50 HydrophobicContact CG2-CD1 3.87Å; V37-K53 HydrophobicContact CG2-CB 3.77Å; V37-K53 HydrophobicContact CG2-CD 3.68Å; V37-K53 HydrophobicContact CG2-CG 4.35Å
38P80.5Confident78.7Confident71 Ų7171.9 Ų71.946%0.46140%0.404SS..THydrogen-bonded Turntrans-56.9-41.4-175.3-26.334.3000113.9I36 Q41I36-P38 WeakPolarHBondContact O-CD 3.44Å; P38-Q41 PolarHBondContact O-NE2 3.47Å
39E78.2Confident80Confident41 Ų4163.9 Ų63.919%0.19237%0.366CS..THydrogen-bonded Turntrans-75.3-33.9-172.8-6772.6-160.500113.7V37 Y74 R75V37-E39 VanDerWaalsContact C-N 3.31Å; V37-E39 PolarHBondContact O-N 3.3Å; E39-Y74 HydrophobicContact CB-CD1 4.08Å; E39-Y74 HydrophobicContact CB-CE1 4.23Å; E39-R75 HydrophobicContact CG-CG 4.37Å; E39-R75 IonicContact OE1-CZ 3.73Å; E39-R75 IonicContact OE1-NH1 2.94Å; E39-R75 PolarHBondContact OE1-NH1 3.13Å; E39-R75 IonicContact OE1-NH2 2.85Å; E39-R75 PolarHBondContact OE1-NH2 2.99Å
40T83.1Confident81.4Confident14 Ų1459.8 Ų59.89%0.08634%0.338CS..THydrogen-bonded Turntrans-115.7-9.8-173.254.50000114.2L11 V14 V37 E42 Y57 Y74L11-T40 HydrophobicContact CD2-CG2 4.23Å; V14-T40 WeakPolarHBondContact CG1-O 3.32Å; V37-T40 WeakPolarHBondContact CB-OG1 3.21Å; V37-T40 WeakPolarHBondContact CG1-OG1 3.44Å; V37-T40 PolarHBondContact O-N 3.18Å; T40-E42 WeakPolarHBondContact CB-OE1 3.33Å; T40-E42 WeakPolarHBondContact CG2-OE1 3.38Å; T40-E42 PolarHBondContact O-N 3.47Å; T40-E42 WeakPolarHBondContact OG1-CB 3.48Å; T40-E42 VanDerWaalsContact OG1-CD 3.29Å; T40-E42 VanDerWaalsContact OG1-CG 3.24Å; T40-E42 WeakPolarHBondContact OG1-CG 3.29Å; T40-E42 PolarHBondContact OG1-N 3.05Å; T40-E42 PolarHBondContact OG1-OE1 3.2Å; T40-Y57 HydrophobicContact CG2-CD1 3.99Å; T40-Y57 HydrophobicContact CG2-CE1 3.25Å; T40-Y74 HydrophobicContact CG2-CD1 4.31Å; T40-Y74 HydrophobicContact CG2-CE1 3.46Å; T40-Y74 VanDerWaalsContact CG2-CE1 3.46Å; T40-Y74 HydrophobicContact CG2-CE2 4.38Å; T40-Y74 WeakPolarHBondContact CG2-OH 3.3Å
41Q85.8Confident82.5Confident65 Ų6559.7 Ų59.730%0.30434%0.338SS..  trans56.123.5-170.3-57-65.9-50.400112.7V14 W15 I36 V37 P38V14-Q41 CarbonylContact C-O 3.6Å; V14-Q41 WeakPolarHBondContact CA-O 3.41Å; V14-Q41 HydrophobicContact CG1-CB 3.74Å; W15-Q41 PolarHBondContact N-O 3.49Å; I36-Q41 HydrophobicContact CG2-CB 4.31Å; V37-Q41 VanDerWaalsContact O-CA 3.23Å; V37-Q41 WeakPolarHBondContact O-CA 3.32Å; V37-Q41 PolarHBondContact O-N 3.15Å; P38-Q41 PolarHBondContact O-NE2 3.47Å
42E85.6Confident83.1Confident0 Ų057.4 Ų57.40%031%0.314CS..BIsolated β-bridgetrans-66.6134.3175.2-79.4171.8-106.300111.1L11 N12 V14 I36 V37 T40 K53 Y57L11-E42 HydrophobicContact CB-CG 3.96Å; L11-E42 WeakPolarHBondContact CD2-OE1 3.43Å; N12-E42 HydrophobicContact CB-CB 4.13Å; N12-E42 HydrophobicContact CB-CG 4.1Å; N12-E42 WeakPolarHBondContact CB-OE2 3.25Å; N12-E42 PolarHBondContact N-OE2 2.91Å; V14-E42 HydrophobicContact CG2-CG 4.28Å; I36-E42 WeakPolarHBondContact CA-O 3.03Å; V37-E42 HydrophobicContact CB-CB 4.17Å; V37-E42 HydrophobicContact CG2-CB 3.93Å; V37-E42 PolarHBondContact N-O 3.23Å; T40-E42 WeakPolarHBondContact CB-OE1 3.33Å; T40-E42 WeakPolarHBondContact CG2-OE1 3.38Å; T40-E42 PolarHBondContact O-N 3.47Å; T40-E42 WeakPolarHBondContact OG1-CB 3.48Å; T40-E42 VanDerWaalsContact OG1-CD 3.29Å; T40-E42 VanDerWaalsContact OG1-CG 3.24Å; T40-E42 WeakPolarHBondContact OG1-CG 3.29Å; T40-E42 PolarHBondContact OG1-N 3.05Å; T40-E42 PolarHBondContact OG1-OE1 3.2Å; E42-K53 WeakPolarHBondContact OE2-CE 3.41Å; E42-K53 IonicContact OE2-NZ 3.08Å; E42-K53 PolarHBondContact OE2-NZ 2.64Å; E42-Y57 PolarHBondContact OE1-OH 3.43Å
43I84.6Confident83.8Confident59 Ų5951.2 Ų51.230%0.30329%0.287SS..BIsolated β-bridgetrans-80.3121.2172.6-54.9169.2000108.2P13 W15 P33P13-I43 PolarHBondContact O-N 3.05Å; W15-I43 HydrophobicContact CB-CD1 3.99Å; W15-I43 HydrophobicContact CB-CG1 3.81Å; P33-I43 HydrophobicContact CB-CG2 4.16Å; P33-I43 HydrophobicContact CG-CD1 4.22Å; P33-I43 HydrophobicContact CG-CG1 4.3Å
44C84.2Confident84.3Confident7 Ų751.3 Ų51.35%0.04729%0.285CS..PPolyproline II helixtrans-95.5148.9171.8-67.20000110.3F35 E49 L50F35-C44 HydrophobicContact CB-CB 3.83Å; F35-C44 WeakPolarHBondContact O-CB 3.31Å; F35-C44 PolarHBondContact O-N 3.47Å; C44-E49 HydrophobicContact CB-CB 4.17Å; C44-E49 HydrophobicContact CB-CG 4.21Å; C44-L50 HydrophobicContact CB-CB 4.06Å
45T80.9Confident84.7Confident125 Ų12547.9 Ų47.977%0.76725%0.254SS*.SBendtrans-83.1-18.1178.658.70000113E49T45-E49 WeakPolarHBondContact CB-OE2 3.49Å; T45-E49 PolarHBondContact N-OE2 2.81Å; T45-E49 PolarHBondContact OG1-OE2 3.31Å
46S83.9Confident84.9Confident39 Ų3944.2 Ų44.227%0.27324%0.238SC..SBendtrans-149.8160.7179.169.80000112.1E48 E49 L50S46-E48 PolarHBondContact O-N 3.06Å; S46-E49 PolarHBondContact O-N 3.22Å; S46-E49 PolarHBondContact OG-N 3.36Å; S46-E49 VanDerWaalsContact OG-N 3.08Å; S46-L50 PolarHBondContact O-N 3.2Å
47A82.2Confident85Confident56 Ų5643.4 Ų43.446%0.46323%0.234SC..Hα-helixtrans-56.8-37170.700000112.1F35 L50 Q51F35-A47 HydrophobicContact CD1-CB 4.04Å; F35-A47 HydrophobicContact CE1-CB 3.58Å; F35-A47 HydrophobicContact CZ-CB 4.12Å; A47-L50 WeakPolarHBondContact O-CB 3.32Å; A47-L50 PolarHBondContact O-N 3.49Å; A47-Q51 PolarHBondContact O-N 3.14Å
48E83.9Confident85.2Confident141 Ų14146.8 Ų46.866%0.65925%0.253SS*.Hα-helixtrans-66.6-41.9177.7-169-174.7179.800111.9S46 L50 Q51 R52S46-E48 PolarHBondContact O-N 3.06Å; E48-L50 VanDerWaalsContact C-N 3.34Å; E48-Q51 PolarHBondContact O-N 3.27Å; E48-R52 WeakPolarHBondContact O-CB 3.4Å; E48-R52 VanDerWaalsContact O-CG 3.27Å; E48-R52 WeakPolarHBondContact O-CG 3.49Å; E48-R52 PolarHBondContact O-N 2.91Å
49E84.7Confident85.7Confident15 Ų1545.5 Ų45.57%0.0724%0.24CC..Hα-helixtrans-63.7-40.5173.6-173.2179.8-167.800111.6N12 C44 T45 S46 R52 K53N12-E49 PolarHBondContact ND2-OE1 3.32Å; C44-E49 HydrophobicContact CB-CB 4.17Å; C44-E49 HydrophobicContact CB-CG 4.21Å; T45-E49 WeakPolarHBondContact CB-OE2 3.49Å; T45-E49 PolarHBondContact N-OE2 2.81Å; T45-E49 PolarHBondContact OG1-OE2 3.31Å; S46-E49 PolarHBondContact O-N 3.22Å; S46-E49 PolarHBondContact OG-N 3.36Å; S46-E49 VanDerWaalsContact OG-N 3.08Å; E49-R52 PolarHBondContact O-N 2.84Å; E49-K53 PolarHBondContact O-N 3.04Å
50L87.2Confident86.3Confident28 Ų2847.7 Ų47.715%0.14725%0.253CS..Hα-helixtrans-59.2-49.1174.2177.663000111.8F35 I36 V37 C44 S46 A47 E48 R52 K53 I54F35-L50 HydrophobicContact CB-CB 4.28Å; F35-L50 HydrophobicContact CB-CD2 4.23Å; F35-L50 HydrophobicContact CD1-CD2 4.27Å; I36-L50 VanDerWaalsContact C-CD1 3.44Å; I36-L50 WeakPolarHBondContact O-CD1 3.39Å; V37-L50 HydrophobicContact CB-CD1 4.35Å; V37-L50 HydrophobicContact CG2-CD1 3.87Å; C44-L50 HydrophobicContact CB-CB 4.06Å; S46-L50 PolarHBondContact O-N 3.2Å; A47-L50 WeakPolarHBondContact O-CB 3.32Å; A47-L50 PolarHBondContact O-N 3.49Å; E48-L50 VanDerWaalsContact C-N 3.34Å; L50-R52 PolarHBondContact O-N 3.08Å; L50-K53 PolarHBondContact O-N 3.2Å; L50-I54 HydrophobicContact CD1-CD1 3.87Å; L50-I54 HydrophobicContact CD1-CG1 4.15Å; L50-I54 HydrophobicContact CD2-CD1 4.47Å; L50-I54 HydrophobicContact CG-CD1 3.8Å; L50-I54 HydrophobicContact CG-CG1 4.45Å; L50-I54 WeakPolarHBondContact O-CG1 3.41Å; L50-I54 PolarHBondContact O-N 3.19Å
51Q86.1Confident86.6Confident119 Ų11948.2 Ų48.256%0.55626%0.255SS*.Hα-helixtrans-64.7-40.3-179.6-171.163.95.600112.1A47 E48 I54 T55A47-Q51 PolarHBondContact O-N 3.14Å; E48-Q51 PolarHBondContact O-N 3.27Å; Q51-I54 PolarHBondContact O-N 3.21Å; Q51-T55 WeakPolarHBondContact O-CB 3.4Å; Q51-T55 PolarHBondContact O-N 3.13Å; Q51-T55 PolarHBondContact O-OG1 3.39Å
52R85.6Confident86.9Confident70 Ų7045.1 Ų45.126%0.26424%0.241SC..Hα-helixtrans-59.7-46173.8-73.7-169.9-66.8146.1-1.1111.4E48 E49 L50 T55 I56 F277E48-R52 WeakPolarHBondContact O-CB 3.4Å; E48-R52 VanDerWaalsContact O-CG 3.27Å; E48-R52 WeakPolarHBondContact O-CG 3.49Å; E48-R52 PolarHBondContact O-N 2.91Å; E49-R52 PolarHBondContact O-N 2.84Å; L50-R52 PolarHBondContact O-N 3.08Å; R52-T55 WeakPolarHBondContact O-CB 3.34Å; R52-T55 PolarHBondContact O-N 2.76Å; R52-I56 VanDerWaalsContact O-CG1 3.25Å; R52-I56 WeakPolarHBondContact O-CG1 3.48Å; R52-I56 PolarHBondContact O-N 3.49Å; R52-F277 HydrophobicContact CB-CD2 4.12Å; R52-F277 HydrophobicContact CB-CE2 4.04Å; R52-F277 HydrophobicContact CB-CZ 4.46Å; R52-F277 HydrophobicContact CG-CD1 4.29Å; R52-F277 HydrophobicContact CG-CD2 4.05Å; R52-F277 HydrophobicContact CG-CE1 3.9Å; R52-F277 HydrophobicContact CG-CE2 3.65Å; R52-F277 HydrophobicContact CG-CG 4.37Å; R52-F277 HydrophobicContact CG-CZ 3.58Å
53K88.4Confident87.2Confident0 Ų045.7 Ų45.70%024%0.244CC..Hα-helixtrans-62.8-52175.9-78.4-170.8-177.2-65.50111.7N12 V37 E42 E49 L50 T55 I56 Y57 E273N12-K53 VanDerWaalsContact ND2-CE 3.26Å; N12-K53 WeakPolarHBondContact ND2-CE 3.46Å; V37-K53 HydrophobicContact CG2-CB 3.77Å; V37-K53 HydrophobicContact CG2-CD 3.68Å; V37-K53 HydrophobicContact CG2-CG 4.35Å; E42-K53 WeakPolarHBondContact OE2-CE 3.41Å; E42-K53 IonicContact OE2-NZ 3.08Å; E42-K53 PolarHBondContact OE2-NZ 2.64Å; E49-K53 PolarHBondContact O-N 3.04Å; L50-K53 PolarHBondContact O-N 3.2Å; K53-T55 PolarHBondContact O-N 2.98Å; K53-T55 VanDerWaalsContact O-N 3.11Å; K53-I56 PolarHBondContact O-N 2.95Å; K53-Y57 HydrophobicContact CB-CD2 4.26Å; K53-Y57 HydrophobicContact CB-CE2 4.31Å; K53-Y57 HydrophobicContact CG-CE2 4.39Å; K53-Y57 WeakPolarHBondContact O-CB 3.35Å; K53-Y57 WeakPolarHBondContact O-CD2 3.37Å; K53-Y57 PolarHBondContact O-N 3.33Å; K53-E273 WeakPolarHBondContact CE-OE1 3.12Å; K53-E273 WeakPolarHBondContact CG-OE1 3.43Å; K53-E273 VanDerWaalsContact NZ-CD 3.25Å; K53-E273 IonicContact NZ-OE1 2.77Å; K53-E273 PolarHBondContact NZ-OE1 3.17Å; K53-E273 IonicContact NZ-OE2 3.27Å; K53-E273 PolarHBondContact NZ-OE2 3.48Å
54I88.4Confident87.5Confident41 Ų4142.9 Ų42.921%0.2123%0.23CC..Hα-helixtrans-52.5-41178-69.8169.8000111.1L50 Q51 N58L50-I54 HydrophobicContact CD1-CD1 3.87Å; L50-I54 HydrophobicContact CD1-CG1 4.15Å; L50-I54 HydrophobicContact CD2-CD1 4.47Å; L50-I54 HydrophobicContact CG-CD1 3.8Å; L50-I54 HydrophobicContact CG-CG1 4.45Å; L50-I54 WeakPolarHBondContact O-CG1 3.41Å; L50-I54 PolarHBondContact O-N 3.19Å; Q51-I54 PolarHBondContact O-N 3.21Å; I54-N58 PolarHBondContact O-N 2.83Å; I54-N58 PolarHBondContact O-ND2 3.43Å
55T88.3Confident87.8Confident17 Ų1745.1 Ų45.110%0.10424%0.237CC..Hα-helixtrans-60.8-57.9175.5-54.30000110.7Q51 R52 K53 Y57 N58 E59 F277 V280Q51-T55 WeakPolarHBondContact O-CB 3.4Å; Q51-T55 PolarHBondContact O-N 3.13Å; Q51-T55 PolarHBondContact O-OG1 3.39Å; R52-T55 WeakPolarHBondContact O-CB 3.34Å; R52-T55 PolarHBondContact O-N 2.76Å; K53-T55 PolarHBondContact O-N 2.98Å; K53-T55 VanDerWaalsContact O-N 3.11Å; T55-Y57 VanDerWaalsContact C-N 3.28Å; T55-Y57 PolarHBondContact O-N 3.24Å; T55-N58 PolarHBondContact O-N 3.25Å; T55-E59 WeakPolarHBondContact O-CG 3.46Å; T55-E59 PolarHBondContact O-N 2.8Å; T55-F277 HydrophobicContact CG2-CE2 4.32Å; T55-V280 HydrophobicContact CG2-CG1 4.04Å
56I89.1Confident88.3Confident1 Ų139.1 Ų39.11%0.00520%0.201CC..Hα-helixtrans-58.9-36.9-177.1-65.9169000112.6I4 R52 K53 E59 I61 W62 E273 F277I4-I56 HydrophobicContact CD1-CG2 4.5Å; R52-I56 VanDerWaalsContact O-CG1 3.25Å; R52-I56 WeakPolarHBondContact O-CG1 3.48Å; R52-I56 PolarHBondContact O-N 3.49Å; K53-I56 PolarHBondContact O-N 2.95Å; I56-E59 PolarHBondContact O-N 2.7Å; I56-I61 HydrophobicContact CG2-CD1 3.75Å; I56-W62 HydrophobicContact CG2-CZ2 4.11Å; I56-W62 PolarHBondContact O-NE1 2.91Å; I56-E273 HydrophobicContact CD1-CB 4.42Å; I56-E273 HydrophobicContact CD1-CG 3.29Å; I56-E273 WeakPolarHBondContact CD1-O 3.36Å; I56-F277 HydrophobicContact CD1-CB 3.87Å; I56-F277 HydrophobicContact CD1-CD2 4.25Å; I56-F277 HydrophobicContact CD1-CG 4.47Å; I56-F277 HydrophobicContact CG1-CB 4.2Å; I56-F277 HydrophobicContact CG1-CD2 4.09Å
57Y89.9Confident88.6Confident2 Ų239.2 Ų39.21%0.00820%0.199CC..Hα-helixtrans-73.5-27.6-176.6-84.7-102.5000113.6L11 T40 E42 K53 T55 W62 Y74L11-Y57 WeakPolarHBondContact CD2-OH 3.4Å; T40-Y57 HydrophobicContact CG2-CD1 3.99Å; T40-Y57 HydrophobicContact CG2-CE1 3.25Å; E42-Y57 PolarHBondContact OE1-OH 3.43Å; K53-Y57 HydrophobicContact CB-CD2 4.26Å; K53-Y57 HydrophobicContact CB-CE2 4.31Å; K53-Y57 HydrophobicContact CG-CE2 4.39Å; K53-Y57 WeakPolarHBondContact O-CB 3.35Å; K53-Y57 WeakPolarHBondContact O-CD2 3.37Å; K53-Y57 PolarHBondContact O-N 3.33Å; T55-Y57 VanDerWaalsContact C-N 3.28Å; T55-Y57 PolarHBondContact O-N 3.24Å; Y57-W62 HydrophobicContact CD1-CH2 4.45Å; Y57-W62 AromaticContact CD1-CZ2 3.92Å; Y57-W62 HydrophobicContact CD1-CZ2 3.92Å; Y57-W62 AromaticContact CD2-CZ2 3.92Å; Y57-W62 HydrophobicContact CD2-CZ2 3.92Å; Y57-W62 AromaticContact CE1-CH2 3.9Å; Y57-W62 HydrophobicContact CE1-CH2 3.9Å; Y57-W62 AromaticContact CE1-CZ2 3.83Å; Y57-W62 HydrophobicContact CE1-CZ2 3.83Å; Y57-W62 HydrophobicContact CE2-CH2 4.18Å; Y57-W62 AromaticContact CE2-CZ2 3.94Å; Y57-W62 HydrophobicContact CE2-CZ2 3.94Å; Y57-W62 AromaticContact CG-CZ2 3.97Å; Y57-W62 HydrophobicContact CG-CZ2 3.97Å; Y57-W62 AromaticContact CZ-CH2 3.81Å; Y57-W62 AromaticContact CZ-CZ2 3.9Å; Y57-Y74 AromaticContact CD1-CD1 3.51Å; Y57-Y74 HydrophobicContact CD1-CD1 3.51Å; Y57-Y74 AromaticContact CD1-CD2 3.81Å; Y57-Y74 HydrophobicContact CD1-CD2 3.81Å; Y57-Y74 HydrophobicContact CD1-CE1 4.07Å; Y57-Y74 HydrophobicContact CD1-CE2 4.35Å; Y57-Y74 AromaticContact CD1-CG 3.35Å; Y57-Y74 HydrophobicContact CD1-CG 3.35Å; Y57-Y74 AromaticContact CE1-CD1 3.84Å; Y57-Y74 HydrophobicContact CE1-CD1 3.84Å; Y57-Y74 AromaticContact CE1-CD2 3.64Å; Y57-Y74 HydrophobicContact CE1-CD2 3.64Å; Y57-Y74 AromaticContact CE1-CE1 3.97Å; Y57-Y74 HydrophobicContact CE1-CE1 3.97Å; Y57-Y74 AromaticContact CE1-CE2 3.8Å; Y57-Y74 HydrophobicContact CE1-CE2 3.8Å; Y57-Y74 AromaticContact CE1-CG 3.66Å; Y57-Y74 HydrophobicContact CE1-CG 3.66Å; Y57-Y74 AromaticContact CE1-CZ 3.95Å; Y57-Y74 HydrophobicContact CG-CG 4.48Å; Y57-Y74 WeakPolarHBondContact O-CB 3.4Å; Y57-Y74 PolarHBondContact O-N 2.86Å
58N89.1Confident88.9Confident72 Ų7237.8 Ų37.839%0.38519%0.191SC..Hα-helixtrans-87.9-6.5177-71.8-41.5000113.5I54 T55 T73I54-N58 PolarHBondContact O-N 2.83Å; I54-N58 PolarHBondContact O-ND2 3.43Å; T55-N58 PolarHBondContact O-N 3.25Å; N58-T73 WeakPolarHBondContact O-CG2 3.1Å
59E90Very high89.1Confident44 Ų4437.3 Ų37.321%0.20619%0.186CC..SBendtrans-88.5150.7-179.8-67.1-75.1162.400111.9T55 I56 I61 V280 R284T55-E59 WeakPolarHBondContact O-CG 3.46Å; T55-E59 PolarHBondContact O-N 2.8Å; I56-E59 PolarHBondContact O-N 2.7Å; E59-I61 HydrophobicContact CB-CG1 4.25Å; E59-I61 HydrophobicContact CB-CG2 4.3Å; E59-I61 PolarHBondContact O-N 2.87Å; E59-V280 HydrophobicContact CB-CG2 4.28Å; E59-V280 HydrophobicContact CG-CG1 3.79Å; E59-V280 HydrophobicContact CG-CG2 3.89Å; E59-V280 WeakPolarHBondContact OE1-CG1 3.11Å; E59-R284 IonicContact OE1-CZ 2.69Å; E59-R284 IonicContact OE1-NE 2.73Å; E59-R284 PolarHBondContact OE1-NE 3.36Å; E59-R284 IonicContact OE1-NH2 3.71Å; E59-R284 PolarHBondContact OE1-NH2 3.35Å
60N91Very high89.4Confident87 Ų8740.3 Ų40.347%0.46521%0.207SC..THydrogen-bonded Turntrans-78.853.4-179.1-7160.7000112.4N71 L72N60-N71 PolarHBondContact ND2-O 2.73Å; N60-N71 WeakPolarHBondContact O-CA 3.48Å; N60-L72 CarbonylContact C-O 3.45Å; N60-L72 WeakPolarHBondContact CA-O 3.48Å
61I89.1Confident89.5Confident24 Ų2444.6 Ų44.612%0.12323%0.23CC..THydrogen-bonded Turntrans-115-2.1-177.562.1171.2000112.8I4 S5 I56 E59 L72 Y276I4-I61 HydrophobicContact CG2-CD1 4.16Å; S5-I61 PolarHBondContact N-O 3.45Å; I56-I61 HydrophobicContact CG2-CD1 3.75Å; E59-I61 HydrophobicContact CB-CG1 4.25Å; E59-I61 HydrophobicContact CB-CG2 4.3Å; E59-I61 PolarHBondContact O-N 2.87Å; I61-L72 PolarHBondContact N-O 3.41Å; I61-Y276 HydrophobicContact CB-CD1 4.05Å; I61-Y276 HydrophobicContact CB-CE1 4.3Å; I61-Y276 HydrophobicContact CD1-CD1 3.95Å; I61-Y276 HydrophobicContact CD1-CG 4.2Å; I61-Y276 HydrophobicContact CG2-CD1 4.01Å; I61-Y276 HydrophobicContact CG2-CE1 4.4Å
62W92.2Very high89.8Confident1 Ų140.3 Ų40.30%0.00421%0.211CC..EExtended strand (participates in β ladder)trans-90.5153.3-176.9-5983.9000111.5P2 L3 I4 H9 I56 Y57 N71 L72 Y74 A77P2-W62 HydrophobicContact CB-CE3 3.85Å; P2-W62 HydrophobicContact CB-CZ3 3.55Å; P2-W62 HydrophobicContact CG-CE3 4.29Å; P2-W62 HydrophobicContact CG-CH2 4.19Å; P2-W62 HydrophobicContact CG-CZ3 3.48Å; P2-W62 VanDerWaalsContact CG-CZ3 3.48Å; L3-W62 WeakPolarHBondContact O-CA 3.32Å; I4-W62 HydrophobicContact CD1-CH2 3.8Å; I4-W62 HydrophobicContact CD1-CZ2 4.23Å; I4-W62 HydrophobicContact CD1-CZ3 4.08Å; I4-W62 HydrophobicContact CG1-CD2 4.17Å; I4-W62 HydrophobicContact CG1-CE3 3.69Å; I4-W62 HydrophobicContact CG1-CH2 3.56Å; I4-W62 HydrophobicContact CG1-CZ2 4.02Å; I4-W62 HydrophobicContact CG1-CZ3 3.34Å; H9-W62 HydrophobicContact CB-CZ3 4.22Å; H9-W62 AromaticContact CD2-CH2 3.73Å; I56-W62 HydrophobicContact CG2-CZ2 4.11Å; I56-W62 PolarHBondContact O-NE1 2.91Å; Y57-W62 HydrophobicContact CD1-CH2 4.45Å; Y57-W62 AromaticContact CD1-CZ2 3.92Å; Y57-W62 HydrophobicContact CD1-CZ2 3.92Å; Y57-W62 AromaticContact CD2-CZ2 3.92Å; Y57-W62 HydrophobicContact CD2-CZ2 3.92Å; Y57-W62 AromaticContact CE1-CH2 3.9Å; Y57-W62 HydrophobicContact CE1-CH2 3.9Å; Y57-W62 AromaticContact CE1-CZ2 3.83Å; Y57-W62 HydrophobicContact CE1-CZ2 3.83Å; Y57-W62 HydrophobicContact CE2-CH2 4.18Å; Y57-W62 AromaticContact CE2-CZ2 3.94Å; Y57-W62 HydrophobicContact CE2-CZ2 3.94Å; Y57-W62 AromaticContact CG-CZ2 3.97Å; Y57-W62 HydrophobicContact CG-CZ2 3.97Å; Y57-W62 AromaticContact CZ-CH2 3.81Å; Y57-W62 AromaticContact CZ-CZ2 3.9Å; W62-N71 PolarHBondContact O-N 3.39Å; W62-L72 WeakPolarHBondContact CA-O 3.35Å; W62-L72 VanDerWaalsContact CB-O 3.24Å; W62-L72 WeakPolarHBondContact CB-O 3.44Å; W62-L72 PolarHBondContact N-O 3.49Å; W62-L72 PolarHBondContact O-N 3.12Å; W62-Y74 VanDerWaalsContact CD1-N 3.3Å; W62-Y74 AromaticContact CD2-CD2 3.96Å; W62-Y74 HydrophobicContact CD2-CD2 3.96Å; W62-Y74 AromaticContact CE3-CD2 3.88Å; W62-Y74 HydrophobicContact CE3-CD2 3.88Å; W62-Y74 HydrophobicContact CH2-CD2 4.11Å; W62-Y74 HydrophobicContact CZ2-CD2 4.2Å; W62-Y74 AromaticContact CZ3-CD2 3.98Å; W62-Y74 HydrophobicContact CZ3-CD2 3.98Å; W62-Y74 HydrophobicContact CZ3-CE2 4.44Å; W62-A77 HydrophobicContact CB-CB 4.06Å
63T91.8Very high90.1Very high11 Ų1138.1 Ų38.17%0.06721%0.205CC..EExtended strand (participates in β ladder)trans-123.7133.9177.6-58.30000109.4L3 S5 R65 G68 K69 P70L3-T63 PolarHBondContact O-N 3.31Å; S5-T63 WeakPolarHBondContact O-CB 3.47Å; S5-T63 PolarHBondContact O-OG1 2.71Å; T63-R65 PolarHBondContact O-N 3.38Å; T63-R65 VanDerWaalsContact O-N 3.14Å; T63-G68 WeakPolarHBondContact CG2-O 3.35Å; T63-K69 CarbonylContact C-O 3.59Å; T63-K69 VanDerWaalsContact CA-O 3.32Å; T63-K69 WeakPolarHBondContact CA-O 3.45Å; T63-K69 WeakPolarHBondContact CG2-O 3.31Å; T63-P70 HydrophobicContact CG2-CB 4.41Å
64C92.7Very high90.2Very high1 Ų139 Ų391%0.00721%0.209CC..  trans-60.8117.8172178.80000109.1V66 T67 G68 K69 L72 T80 E81C64-V66 VanDerWaalsContact C-N 3.31Å; C64-V66 PolarHBondContact O-N 3.21Å; C64-T67 WeakPolarHBondContact CB-OG1 3.49Å; C64-T67 PolarHBondContact SG-OG1 3.13Å; C64-G68 WeakPolarHBondContact O-CA 3.45Å; C64-G68 PolarHBondContact O-N 2.72Å; C64-K69 HydrophobicContact CB-CB 4.3Å; C64-K69 PolarHBondContact N-O 3.21Å; C64-L72 HydrophobicContact CB-CD1 3.91Å; C64-T80 VanDerWaalsContact CB-OG1 3.3Å; C64-T80 WeakPolarHBondContact CB-OG1 3.44Å; C64-T80 PolarHBondContact SG-OG1 3.43Å; C64-E81 PolarHBondContact SG-N 2.93Å; C64-E81 VanDerWaalsContact SG-N 3.45Å
65R89.5Confident90.3Very high53 Ų5343.6 Ų43.620%0.222%0.224CC..THydrogen-bonded Turntrans-59-42.3-176.8179.8-179170.8173.22.1112.6L3 T63 R225 A228L3-R65 HydrophobicContact CD1-CB 4.26Å; L3-R65 HydrophobicContact CD1-CG 4.37Å; L3-R65 HydrophobicContact CG-CB 4.36Å; T63-R65 PolarHBondContact O-N 3.38Å; T63-R65 VanDerWaalsContact O-N 3.14Å; R65-R225 PolarHBondContact NE-O 2.96Å; R65-R225 VanDerWaalsContact NE-O 3.09Å; R65-R225 WeakPolarHBondContact O-CB 3.44Å; R65-R225 WeakPolarHBondContact O-CD 3.46Å; R65-A228 PolarHBondContact NH2-O 2.75Å
66V91.7Very high90.4Very high0 Ų046.8 Ų46.80%024%0.237CC..THydrogen-bonded Turntrans-79.4-48.5-172.51800000111.5C64 E81 A84 I85 L88 M222 R225C64-V66 VanDerWaalsContact C-N 3.31Å; C64-V66 PolarHBondContact O-N 3.21Å; V66-E81 HydrophobicContact CG2-CG 3.77Å; V66-A84 HydrophobicContact CB-CB 3.88Å; V66-A84 HydrophobicContact CG1-CB 3.53Å; V66-I85 HydrophobicContact CG2-CD1 4.44Å; V66-I85 HydrophobicContact CG2-CG1 4.14Å; V66-L88 HydrophobicContact CG1-CD1 4.02Å; V66-M222 HydrophobicContact CG1-CB 4.04Å; V66-M222 HydrophobicContact CG1-CE 4.31Å; V66-M222 HydrophobicContact CG1-CG 4.31Å; V66-R225 WeakPolarHBondContact O-CD 3.4Å
67T89.9Confident90.5Very high40 Ų4047.1 Ų47.125%0.24524%0.24CC..THydrogen-bonded Turntrans-83.1-23.6-178.166.20000113C64 K69 A84 R225C64-T67 WeakPolarHBondContact CB-OG1 3.49Å; C64-T67 PolarHBondContact SG-OG1 3.13Å; T67-K69 VanDerWaalsContact C-N 3.26Å; T67-K69 WeakPolarHBondContact OG1-CB 3.39Å; T67-K69 WeakPolarHBondContact OG1-CG 3.45Å; T67-K69 PolarHBondContact OG1-N 3.44Å; T67-A84 HydrophobicContact CG2-CB 3.57Å; T67-R225 PolarHBondContact O-NH1 2.67Å
68G88.5Confident90.5Very high27 Ų2750.4 Ų50.428%0.27826%0.258SS..  trans776-172.100000114.3T63 C64 P70T63-G68 WeakPolarHBondContact CG2-O 3.35Å; C64-G68 WeakPolarHBondContact O-CA 3.45Å; C64-G68 PolarHBondContact O-N 2.72Å; G68-P70 VanDerWaalsContact O-CD 3.29Å; G68-P70 WeakPolarHBondContact O-CD 3.45Å
69K88.4Confident90.6Very high131 Ų13154.8 Ų54.857%0.5727%0.273SS*.  trans-65.5116.7178.9-73.1-176.2177.7-171.70110.9T63 C64 T67 L72T63-K69 CarbonylContact C-O 3.59Å; T63-K69 VanDerWaalsContact CA-O 3.32Å; T63-K69 WeakPolarHBondContact CA-O 3.45Å; T63-K69 WeakPolarHBondContact CG2-O 3.31Å; C64-K69 HydrophobicContact CB-CB 4.3Å; C64-K69 PolarHBondContact N-O 3.21Å; T67-K69 VanDerWaalsContact C-N 3.26Å; T67-K69 WeakPolarHBondContact OG1-CB 3.39Å; T67-K69 WeakPolarHBondContact OG1-CG 3.45Å; T67-K69 PolarHBondContact OG1-N 3.44Å; K69-L72 HydrophobicContact CB-CD1 4.25Å; K69-L72 WeakPolarHBondContact O-CD1 3.41Å
70P91.1Very high90.7Very high77 Ų7754.3 Ų54.350%0.527%0.274SS..  trans-86.7-179.2-178.937-35.6000112.3T63 G68 L72T63-P70 HydrophobicContact CG2-CB 4.41Å; G68-P70 VanDerWaalsContact O-CD 3.29Å; G68-P70 WeakPolarHBondContact O-CD 3.45Å; P70-L72 VanDerWaalsContact C-N 3.33Å; P70-L72 PolarHBondContact O-N 3.49Å
71N89.1Confident90.7Very high118 Ų11852.1 Ų52.163%0.63126%0.261SS*.SBendtrans6035.6173.6-60.3-18.8000115.1N60 W62N60-N71 PolarHBondContact ND2-O 2.73Å; N60-N71 WeakPolarHBondContact O-CA 3.48Å; W62-N71 PolarHBondContact O-N 3.39Å
72L91.7Very high90.8Very high29 Ų2952.9 Ų52.915%0.15227%0.27CS..BIsolated β-bridgetrans-100.8155.2175.6-59.7174.7000109.7N60 I61 W62 C64 K69 P70 E76 A77 T80N60-L72 CarbonylContact C-O 3.45Å; N60-L72 WeakPolarHBondContact CA-O 3.48Å; I61-L72 PolarHBondContact N-O 3.41Å; W62-L72 WeakPolarHBondContact CA-O 3.35Å; W62-L72 VanDerWaalsContact CB-O 3.24Å; W62-L72 WeakPolarHBondContact CB-O 3.44Å; W62-L72 PolarHBondContact N-O 3.49Å; W62-L72 PolarHBondContact O-N 3.12Å; C64-L72 HydrophobicContact CB-CD1 3.91Å; K69-L72 HydrophobicContact CB-CD1 4.25Å; K69-L72 WeakPolarHBondContact O-CD1 3.41Å; P70-L72 VanDerWaalsContact C-N 3.33Å; P70-L72 PolarHBondContact O-N 3.49Å; L72-E76 HydrophobicContact CB-CB 4Å; L72-E76 HydrophobicContact CD2-CB 4.18Å; L72-A77 HydrophobicContact CB-CB 4.18Å; L72-A77 HydrophobicContact CD1-CB 4.29Å; L72-T80 HydrophobicContact CD1-CG2 4.22Å
73T91.8Very high90.8Very high25 Ų2556 Ų5615%0.15329%0.29CS..  trans-70.7164159.762.60000110N58 R75 E76 A77N58-T73 WeakPolarHBondContact O-CG2 3.1Å; T73-R75 VanDerWaalsContact C-N 3.28Å; T73-R75 PolarHBondContact O-N 3.21Å; T73-E76 PolarHBondContact N-OE2 3.49Å; T73-E76 PolarHBondContact O-N 3.14Å; T73-E76 WeakPolarHBondContact OG1-CB 3.18Å; T73-E76 VanDerWaalsContact OG1-CD 3.22Å; T73-E76 WeakPolarHBondContact OG1-CG 3.4Å; T73-E76 PolarHBondContact OG1-N 3.25Å; T73-E76 PolarHBondContact OG1-OE2 3.25Å; T73-A77 WeakPolarHBondContact O-CB 3.49Å; T73-A77 PolarHBondContact O-N 2.89Å
74Y91.1Very high90.8Very high18 Ų1855.7 Ų55.77%0.07129%0.288CS..Hα-helixtrans-57.6-42.2178.2178.4-104.6000112.3P2 E39 T40 Y57 W62 E76 A77 L78P2-Y74 HydrophobicContact CB-CD2 4.23Å; P2-Y74 HydrophobicContact CB-CE2 3.73Å; P2-Y74 HydrophobicContact CG-CD2 4.5Å; P2-Y74 HydrophobicContact CG-CE2 3.82Å; E39-Y74 HydrophobicContact CB-CD1 4.08Å; E39-Y74 HydrophobicContact CB-CE1 4.23Å; T40-Y74 HydrophobicContact CG2-CD1 4.31Å; T40-Y74 HydrophobicContact CG2-CE1 3.46Å; T40-Y74 VanDerWaalsContact CG2-CE1 3.46Å; T40-Y74 HydrophobicContact CG2-CE2 4.38Å; T40-Y74 WeakPolarHBondContact CG2-OH 3.3Å; Y57-Y74 AromaticContact CD1-CD1 3.51Å; Y57-Y74 HydrophobicContact CD1-CD1 3.51Å; Y57-Y74 AromaticContact CD1-CD2 3.81Å; Y57-Y74 HydrophobicContact CD1-CD2 3.81Å; Y57-Y74 HydrophobicContact CD1-CE1 4.07Å; Y57-Y74 HydrophobicContact CD1-CE2 4.35Å; Y57-Y74 AromaticContact CD1-CG 3.35Å; Y57-Y74 HydrophobicContact CD1-CG 3.35Å; Y57-Y74 AromaticContact CE1-CD1 3.84Å; Y57-Y74 HydrophobicContact CE1-CD1 3.84Å; Y57-Y74 AromaticContact CE1-CD2 3.64Å; Y57-Y74 HydrophobicContact CE1-CD2 3.64Å; Y57-Y74 AromaticContact CE1-CE1 3.97Å; Y57-Y74 HydrophobicContact CE1-CE1 3.97Å; Y57-Y74 AromaticContact CE1-CE2 3.8Å; Y57-Y74 HydrophobicContact CE1-CE2 3.8Å; Y57-Y74 AromaticContact CE1-CG 3.66Å; Y57-Y74 HydrophobicContact CE1-CG 3.66Å; Y57-Y74 AromaticContact CE1-CZ 3.95Å; Y57-Y74 HydrophobicContact CG-CG 4.48Å; Y57-Y74 WeakPolarHBondContact O-CB 3.4Å; Y57-Y74 PolarHBondContact O-N 2.86Å; W62-Y74 VanDerWaalsContact CD1-N 3.3Å; W62-Y74 AromaticContact CD2-CD2 3.96Å; W62-Y74 HydrophobicContact CD2-CD2 3.96Å; W62-Y74 AromaticContact CE3-CD2 3.88Å; W62-Y74 HydrophobicContact CE3-CD2 3.88Å; W62-Y74 HydrophobicContact CH2-CD2 4.11Å; W62-Y74 HydrophobicContact CZ2-CD2 4.2Å; W62-Y74 AromaticContact CZ3-CD2 3.98Å; W62-Y74 HydrophobicContact CZ3-CD2 3.98Å; W62-Y74 HydrophobicContact CZ3-CE2 4.44Å; Y74-E76 PolarHBondContact O-N 3.05Å; Y74-A77 PolarHBondContact O-N 3.01Å; Y74-L78 HydrophobicContact CD1-CD1 4.01Å; Y74-L78 HydrophobicContact CE1-CD1 3.36Å; Y74-L78 HydrophobicContact CE1-CG 4.15Å; Y74-L78 HydrophobicContact CE2-CD1 4.38Å; Y74-L78 HydrophobicContact CE2-CG 4.37Å; Y74-L78 WeakPolarHBondContact O-CG 3.37Å; Y74-L78 PolarHBondContact O-N 3.01Å; Y74-L78 VanDerWaalsContact O-N 3.07Å
75R89.7Confident90.7Very high138 Ų13858.6 Ų58.652%0.52130%0.303SS..Hα-helixtrans-62-43.3177.5-76.7-173.9172.898.61.4112.1E39 T73 L78 K79E39-R75 HydrophobicContact CG-CG 4.37Å; E39-R75 IonicContact OE1-CZ 3.73Å; E39-R75 IonicContact OE1-NH1 2.94Å; E39-R75 PolarHBondContact OE1-NH1 3.13Å; E39-R75 IonicContact OE1-NH2 2.85Å; E39-R75 PolarHBondContact OE1-NH2 2.99Å; T73-R75 VanDerWaalsContact C-N 3.28Å; T73-R75 PolarHBondContact O-N 3.21Å; R75-L78 PolarHBondContact O-N 3.46Å; R75-K79 PolarHBondContact O-N 3.24Å
76E91Very high90.7Very high83 Ų8364.1 Ų64.139%0.38832%0.324SS..Hα-helixtrans-68.7-39.3178.5-71166.9154.500112.1L72 T73 Y74 L78 K79 T80L72-E76 HydrophobicContact CB-CB 4Å; L72-E76 HydrophobicContact CD2-CB 4.18Å; T73-E76 PolarHBondContact N-OE2 3.49Å; T73-E76 PolarHBondContact O-N 3.14Å; T73-E76 WeakPolarHBondContact OG1-CB 3.18Å; T73-E76 VanDerWaalsContact OG1-CD 3.22Å; T73-E76 WeakPolarHBondContact OG1-CG 3.4Å; T73-E76 PolarHBondContact OG1-N 3.25Å; T73-E76 PolarHBondContact OG1-OE2 3.25Å; Y74-E76 PolarHBondContact O-N 3.05Å; E76-L78 VanDerWaalsContact C-N 3.3Å; E76-L78 PolarHBondContact O-N 3.45Å; E76-K79 PolarHBondContact O-N 3.13Å; E76-T80 WeakPolarHBondContact O-CB 3.34Å; E76-T80 WeakPolarHBondContact O-CG2 3.44Å; E76-T80 PolarHBondContact O-N 3.18Å; E76-T80 PolarHBondContact O-OG1 3.46Å
77A91.8Very high90.7Very high9 Ų967.1 Ų67.17%0.07434%0.342CS..Hα-helixtrans-59.8-41.517500000111.5W62 L72 T73 Y74 T80 E81W62-A77 HydrophobicContact CB-CB 4.06Å; L72-A77 HydrophobicContact CB-CB 4.18Å; L72-A77 HydrophobicContact CD1-CB 4.29Å; T73-A77 WeakPolarHBondContact O-CB 3.49Å; T73-A77 PolarHBondContact O-N 2.89Å; Y74-A77 PolarHBondContact O-N 3.01Å; A77-T80 WeakPolarHBondContact CA-OG1 3.23Å; A77-T80 PolarHBondContact O-OG1 3.35Å; A77-E81 VanDerWaalsContact O-CB 3.27Å; A77-E81 WeakPolarHBondContact O-CB 3.44Å; A77-E81 PolarHBondContact O-N 3.23Å
78L89.6Confident90.6Very high71 Ų7165.7 Ų65.737%0.37233%0.333SS..Hα-helixtrans-67.5-43.6174.5-73.5-179.5000112.9Y74 R75 E76 T80 E81 A82Y74-L78 HydrophobicContact CD1-CD1 4.01Å; Y74-L78 HydrophobicContact CE1-CD1 3.36Å; Y74-L78 HydrophobicContact CE1-CG 4.15Å; Y74-L78 HydrophobicContact CE2-CD1 4.38Å; Y74-L78 HydrophobicContact CE2-CG 4.37Å; Y74-L78 WeakPolarHBondContact O-CG 3.37Å; Y74-L78 PolarHBondContact O-N 3.01Å; Y74-L78 VanDerWaalsContact O-N 3.07Å; R75-L78 PolarHBondContact O-N 3.46Å; E76-L78 VanDerWaalsContact C-N 3.3Å; E76-L78 PolarHBondContact O-N 3.45Å; L78-T80 VanDerWaalsContact C-N 3.33Å; L78-T80 PolarHBondContact O-N 2.83Å; L78-E81 PolarHBondContact O-N 2.8Å; L78-A82 WeakPolarHBondContact O-CB 3Å; L78-A82 PolarHBondContact O-N 3.3Å
79K91Very high90.6Very high163 Ų16372.8 Ų72.871%0.70936%0.356SS*.Hα-helixtrans-59.9-46.6178-172.8178-179.6-179.70110.7R75 E76 A82 T83R75-K79 PolarHBondContact O-N 3.24Å; E76-K79 PolarHBondContact O-N 3.13Å; K79-A82 PolarHBondContact O-N 2.95Å; K79-T83 PolarHBondContact O-N 3.36Å; K79-T83 VanDerWaalsContact O-N 3.13Å; K79-T83 PolarHBondContact O-OG1 3.18Å
80T91.3Very high90.5Very high35 Ų3575.3 Ų75.322%0.21537%0.367CS..Hα-helixtrans-65.2-40.9178.451.80000112.1C64 L72 E76 A77 L78 T83 A84C64-T80 VanDerWaalsContact CB-OG1 3.3Å; C64-T80 WeakPolarHBondContact CB-OG1 3.44Å; C64-T80 PolarHBondContact SG-OG1 3.43Å; L72-T80 HydrophobicContact CD1-CG2 4.22Å; E76-T80 WeakPolarHBondContact O-CB 3.34Å; E76-T80 WeakPolarHBondContact O-CG2 3.44Å; E76-T80 PolarHBondContact O-N 3.18Å; E76-T80 PolarHBondContact O-OG1 3.46Å; A77-T80 WeakPolarHBondContact CA-OG1 3.23Å; A77-T80 PolarHBondContact O-OG1 3.35Å; L78-T80 VanDerWaalsContact C-N 3.33Å; L78-T80 PolarHBondContact O-N 2.83Å; T80-T83 VanDerWaalsContact CA-OG1 3.29Å; T80-T83 WeakPolarHBondContact CA-OG1 3.04Å; T80-T83 PolarHBondContact O-N 3.03Å; T80-T83 PolarHBondContact O-OG1 2.8Å; T80-A84 WeakPolarHBondContact O-CB 3.41Å; T80-A84 PolarHBondContact O-N 2.68Å
81E92.5Very high90.1Very high41 Ų4174.3 Ų74.319%0.19236%0.361CS..Hα-helixtrans-59.6-45.5173.7175.3163-148.900111.7C64 V66 A77 L78 T83 A84 I85C64-E81 PolarHBondContact SG-N 2.93Å; C64-E81 VanDerWaalsContact SG-N 3.45Å; V66-E81 HydrophobicContact CG2-CG 3.77Å; A77-E81 VanDerWaalsContact O-CB 3.27Å; A77-E81 WeakPolarHBondContact O-CB 3.44Å; A77-E81 PolarHBondContact O-N 3.23Å; L78-E81 PolarHBondContact O-N 2.8Å; E81-T83 PolarHBondContact O-N 3.37Å; E81-A84 PolarHBondContact O-N 2.86Å; E81-I85 HydrophobicContact CG-CD1 3.8Å; E81-I85 VanDerWaalsContact O-CG1 3.32Å; E81-I85 WeakPolarHBondContact O-CG1 3.44Å; E81-I85 PolarHBondContact O-N 2.68Å
82A90.7Very high90.1Very high40 Ų4069.4 Ų69.433%0.33134%0.335SS..Hα-helixtrans-61.9-42.5177.800000112.8L78 K79 R86L78-A82 WeakPolarHBondContact O-CB 3Å; L78-A82 PolarHBondContact O-N 3.3Å; K79-A82 PolarHBondContact O-N 2.95Å; A82-R86 WeakPolarHBondContact O-CG 3.26Å; A82-R86 PolarHBondContact O-N 3.05Å
83T92.2Very high90Very high66 Ų6669.4 Ų69.441%0.40534%0.336SS..Hα-helixtrans-63.7-40.5173.422.80000112.7K79 T80 E81 R86 T87K79-T83 PolarHBondContact O-N 3.36Å; K79-T83 VanDerWaalsContact O-N 3.13Å; K79-T83 PolarHBondContact O-OG1 3.18Å; T80-T83 VanDerWaalsContact CA-OG1 3.29Å; T80-T83 WeakPolarHBondContact CA-OG1 3.04Å; T80-T83 PolarHBondContact O-N 3.03Å; T80-T83 PolarHBondContact O-OG1 2.8Å; E81-T83 PolarHBondContact O-N 3.37Å; T83-R86 PolarHBondContact O-N 2.95Å; T83-T87 PolarHBondContact O-N 3.4Å; T83-T87 PolarHBondContact O-OG1 2.74Å
84A91.4Very high89.7Confident5 Ų576.3 Ų76.34%0.04136%0.364CS..Hα-helixtrans-65.5-42179.500000111.5V66 T67 T80 E81 T87 L88 M222V66-A84 HydrophobicContact CB-CB 3.88Å; V66-A84 HydrophobicContact CG1-CB 3.53Å; T67-A84 HydrophobicContact CG2-CB 3.57Å; T80-A84 WeakPolarHBondContact O-CB 3.41Å; T80-A84 PolarHBondContact O-N 2.68Å; E81-A84 PolarHBondContact O-N 2.86Å; A84-T87 WeakPolarHBondContact O-CB 3.44Å; A84-T87 PolarHBondContact O-N 3.39Å; A84-L88 PolarHBondContact O-N 3.37Å; A84-M222 HydrophobicContact CB-CE 3.82Å
85I91.1Very high89.5Confident61 Ų6177.4 Ų77.431%0.31337%0.369SS..Hα-helixtrans-65-40.5175.4-67.6168.2000111.4V66 E81 T87 L88 K89V66-I85 HydrophobicContact CG2-CD1 4.44Å; V66-I85 HydrophobicContact CG2-CG1 4.14Å; E81-I85 HydrophobicContact CG-CD1 3.8Å; E81-I85 VanDerWaalsContact O-CG1 3.32Å; E81-I85 WeakPolarHBondContact O-CG1 3.44Å; E81-I85 PolarHBondContact O-N 2.68Å; I85-T87 VanDerWaalsContact C-N 3.29Å; I85-T87 PolarHBondContact O-N 2.92Å; I85-L88 PolarHBondContact O-N 3.41Å; I85-K89 WeakPolarHBondContact O-CG 3.47Å; I85-K89 PolarHBondContact O-N 3.08Å
86R90.1Very high89.6Confident169 Ų16971 Ų7164%0.63835%0.345SS*.Hα-helixtrans-61.4-39.6173.3-76.6-176.5-123.7149-2.4112.1A82 T83 K89 K90A82-R86 WeakPolarHBondContact O-CG 3.26Å; A82-R86 PolarHBondContact O-N 3.05Å; T83-R86 PolarHBondContact O-N 2.95Å; R86-K89 PolarHBondContact O-N 3.16Å; R86-K90 PolarHBondContact O-N 3.04Å; R86-K90 VanDerWaalsContact O-N 3.17Å
87T89.8Confident89.6Confident63 Ų6368.9 Ų68.939%0.38734%0.335SS..Hα-helixtrans-65.5-44.6176.9-52.40000111T83 A84 I85 K89 K90 C91T83-T87 PolarHBondContact O-N 3.4Å; T83-T87 PolarHBondContact O-OG1 2.74Å; A84-T87 WeakPolarHBondContact O-CB 3.44Å; A84-T87 PolarHBondContact O-N 3.39Å; I85-T87 VanDerWaalsContact C-N 3.29Å; I85-T87 PolarHBondContact O-N 2.92Å; T87-K89 PolarHBondContact O-N 3.4Å; T87-K90 PolarHBondContact O-N 3.05Å; T87-K90 VanDerWaalsContact O-N 3.16Å; T87-C91 WeakPolarHBondContact O-CB 3.17Å; T87-C91 PolarHBondContact O-N 2.9Å; T87-C91 PolarHBondContact O-SG 3.34Å
88L89.6Confident89.4Confident10 Ų1072.9 Ų72.95%0.05235%0.351CS..Hα-helixtrans-58.8-46.9174.1-76.6172.4000112V66 A84 I85 K90 C91 F92 H219 M222 F223V66-L88 HydrophobicContact CG1-CD1 4.02Å; A84-L88 PolarHBondContact O-N 3.37Å; I85-L88 PolarHBondContact O-N 3.41Å; L88-K90 PolarHBondContact O-N 3.41Å; L88-C91 PolarHBondContact O-N 3.15Å; L88-F92 HydrophobicContact CD2-CB 4.45Å; L88-F92 HydrophobicContact CD2-CD2 4.32Å; L88-F92 WeakPolarHBondContact O-CA 3.38Å; L88-F92 WeakPolarHBondContact O-CB 3.44Å; L88-F92 PolarHBondContact O-N 3.39Å; L88-H219 WeakPolarHBondContact CD2-O 3.4Å; L88-M222 HydrophobicContact CD1-CB 4.03Å; L88-M222 HydrophobicContact CD2-CB 3.81Å; L88-M222 HydrophobicContact CD2-CE 4.4Å; L88-M222 HydrophobicContact CG-CB 4.14Å; L88-M222 HydrophobicContact CG-CE 4.04Å; L88-F223 HydrophobicContact CD2-CB 4.09Å
89K87.6Confident89.4Confident176 Ų17671 Ų7177%0.76534%0.342SS*.Hα-helixtrans-59.2-30177.2-75.3-176.5177.6-173.30113.4I85 R86 T87I85-K89 WeakPolarHBondContact O-CG 3.47Å; I85-K89 PolarHBondContact O-N 3.08Å; R86-K89 PolarHBondContact O-N 3.16Å; T87-K89 PolarHBondContact O-N 3.4Å
90K85.4Confident89.5Confident185 Ų18563.3 Ų63.380%0.80431%0.309SS*.Hα-helixtrans-84.2-39.4178.9-172.8177.9179.2-1800112.6R86 T87 L88R86-K90 PolarHBondContact O-N 3.04Å; R86-K90 VanDerWaalsContact O-N 3.17Å; T87-K90 PolarHBondContact O-N 3.05Å; T87-K90 VanDerWaalsContact O-N 3.16Å; L88-K90 PolarHBondContact O-N 3.41Å
91C84Confident89.5Confident56 Ų5661.7 Ų61.738%0.37830%0.299SS..Hα-helixtrans-105.7-11.4-166.9-60.50000114.5T87 L88 P93T87-C91 WeakPolarHBondContact O-CB 3.17Å; T87-C91 PolarHBondContact O-N 2.9Å; T87-C91 PolarHBondContact O-SG 3.34Å; L88-C91 PolarHBondContact O-N 3.15Å; C91-P93 WeakPolarHBondContact O-CD 3.45Å
92F89.9Confident89.3Confident15 Ų1564 Ų647%0.06631%0.31CS..SBendtrans-105110.4-175-158.5-88.3000111.1L88 F96 E97 I100 P215 H219 I220 F223L88-F92 HydrophobicContact CD2-CB 4.45Å; L88-F92 HydrophobicContact CD2-CD2 4.32Å; L88-F92 WeakPolarHBondContact O-CA 3.38Å; L88-F92 WeakPolarHBondContact O-CB 3.44Å; L88-F92 PolarHBondContact O-N 3.39Å; F92-F96 HydrophobicContact CE1-CB 4.44Å; F92-E97 HydrophobicContact CD1-CG 4.28Å; F92-E97 HydrophobicContact CE1-CG 4.07Å; F92-I100 HydrophobicContact CE1-CD1 4.07Å; F92-I100 HydrophobicContact CE2-CD1 4.17Å; F92-I100 HydrophobicContact CZ-CD1 3.32Å; F92-P215 HydrophobicContact CD2-CB 4.18Å; F92-P215 HydrophobicContact CE2-CB 4.26Å; F92-P215 HydrophobicContact CE2-CG 4.39Å; F92-H219 HydrophobicContact CD2-CB 4.32Å; F92-I220 HydrophobicContact CE2-CG1 4.39Å; F92-F223 AromaticContact CD1-CD2 3.63Å; F92-F223 HydrophobicContact CD1-CD2 3.63Å; F92-F223 AromaticContact CD1-CE2 3.82Å; F92-F223 HydrophobicContact CD1-CE2 3.82Å; F92-F223 HydrophobicContact CD1-CG 4.26Å; F92-F223 HydrophobicContact CD2-CB 4.06Å; F92-F223 HydrophobicContact CD2-CD2 4.25Å; F92-F223 HydrophobicContact CD2-CG 4.3Å; F92-F223 HydrophobicContact CE1-CB 4.42Å; F92-F223 AromaticContact CE1-CD1 3.99Å; F92-F223 HydrophobicContact CE1-CD1 3.99Å; F92-F223 AromaticContact CE1-CD2 3.4Å; F92-F223 HydrophobicContact CE1-CD2 3.4Å; F92-F223 HydrophobicContact CE1-CE1 4.06Å; F92-F223 AromaticContact CE1-CE2 3.5Å; F92-F223 HydrophobicContact CE1-CE2 3.5Å; F92-F223 VanDerWaalsContact CE1-CE2 3.5Å; F92-F223 AromaticContact CE1-CG 3.67Å; F92-F223 HydrophobicContact CE1-CG 3.67Å; F92-F223 AromaticContact CE1-CZ 3.84Å; F92-F223 HydrophobicContact CE1-CZ 3.84Å; F92-F223 HydrophobicContact CE2-CB 3.56Å; F92-F223 HydrophobicContact CE2-CD1 4.3Å; F92-F223 HydrophobicContact CE2-CD2 4.06Å; F92-F223 AromaticContact CE2-CG 3.72Å; F92-F223 HydrophobicContact CE2-CG 3.72Å; F92-F223 HydrophobicContact CG-CD2 4.01Å; F92-F223 HydrophobicContact CG-CG 4.5Å; F92-F223 HydrophobicContact CZ-CB 3.71Å; F92-F223 AromaticContact CZ-CD1 3.56Å; F92-F223 HydrophobicContact CZ-CD1 3.56Å; F92-F223 AromaticContact CZ-CD2 3.57Å; F92-F223 HydrophobicContact CZ-CD2 3.57Å; F92-F223 HydrophobicContact CZ-CE1 4.04Å; F92-F223 HydrophobicContact CZ-CE2 4.05Å; F92-F223 AromaticContact CZ-CG 3.31Å; F92-F223 HydrophobicContact CZ-CG 3.31Å; F92-F223 HydrophobicContact CZ-CZ 4.27Å
93P88.5Confident89.3Confident29 Ų2967.7 Ų67.719%0.18832%0.315CS..  trans-68.1136.7-178.6-19.531.9000113.1C91 F95 F96C91-P93 WeakPolarHBondContact O-CD 3.45Å; P93-F95 VanDerWaalsContact C-N 3.28Å; P93-F95 HydrophobicContact CB-CD1 3.96Å; P93-F95 HydrophobicContact CB-CD2 4.29Å; P93-F95 HydrophobicContact CB-CE1 3.42Å; P93-F95 VanDerWaalsContact CB-CE1 3.42Å; P93-F95 HydrophobicContact CB-CE2 3.81Å; P93-F95 HydrophobicContact CB-CG 4.37Å; P93-F95 HydrophobicContact CB-CZ 3.33Å; P93-F95 HydrophobicContact CG-CE1 4.45Å; P93-F95 HydrophobicContact CG-CE2 4.46Å; P93-F95 HydrophobicContact CG-CZ 3.99Å; P93-F95 PolarHBondContact O-N 3.49Å; P93-F96 HydrophobicContact CB-CD2 4.01Å; P93-F96 HydrophobicContact CB-CE2 4.31Å; P93-F96 HydrophobicContact CG-CD2 4Å; P93-F96 HydrophobicContact CG-CE2 4.06Å; P93-F96 PolarHBondContact O-N 3.37Å
94K85.8Confident89.3Confident169 Ų16964.6 Ų64.674%0.73530%0.296SS*.G310 helixtrans-61.3-31.2-176.1-70.1-175.5179.7176.60114.1F96 E97K94-F96 PolarHBondContact O-N 2.9Å; K94-E97 WeakPolarHBondContact O-CB 3.27Å; K94-E97 WeakPolarHBondContact O-CG 3.27Å; K94-E97 PolarHBondContact O-N 3.3Å; K94-E97 VanDerWaalsContact O-N 3.17Å
95F87.6Confident89.2Confident42 Ų4265.7 Ų65.718%0.18430%0.3CS..G310 helixtrans-69.6-16.5-177.748.7-98.2000113.8P93 A129 E130 P131P93-F95 VanDerWaalsContact C-N 3.28Å; P93-F95 HydrophobicContact CB-CD1 3.96Å; P93-F95 HydrophobicContact CB-CD2 4.29Å; P93-F95 HydrophobicContact CB-CE1 3.42Å; P93-F95 VanDerWaalsContact CB-CE1 3.42Å; P93-F95 HydrophobicContact CB-CE2 3.81Å; P93-F95 HydrophobicContact CB-CG 4.37Å; P93-F95 HydrophobicContact CB-CZ 3.33Å; P93-F95 HydrophobicContact CG-CE1 4.45Å; P93-F95 HydrophobicContact CG-CE2 4.46Å; P93-F95 HydrophobicContact CG-CZ 3.99Å; P93-F95 PolarHBondContact O-N 3.49Å; F95-A129 HydrophobicContact CB-CB 4.48Å; F95-E130 HydrophobicContact CD2-CB 3.9Å; F95-E130 HydrophobicContact CD2-CG 4.05Å; F95-E130 HydrophobicContact CE2-CB 4.01Å; F95-E130 HydrophobicContact CE2-CG 3.63Å; F95-E130 HydrophobicContact CG-CB 4.44Å; F95-E130 HydrophobicContact CZ-CG 4.19Å; F95-P131 HydrophobicContact CE1-CG 4.42Å
96F90.9Very high88.9Confident3 Ų365.5 Ų65.51%0.01330%0.3CS..G310 helixtrans-88.1-14.2172.5-64.5-50.6000113.9F92 P93 K94 K98 I100 I122 H127 P215F92-F96 HydrophobicContact CE1-CB 4.44Å; P93-F96 HydrophobicContact CB-CD2 4.01Å; P93-F96 HydrophobicContact CB-CE2 4.31Å; P93-F96 HydrophobicContact CG-CD2 4Å; P93-F96 HydrophobicContact CG-CE2 4.06Å; P93-F96 PolarHBondContact O-N 3.37Å; K94-F96 PolarHBondContact O-N 2.9Å; F96-K98 PolarHBondContact O-N 2.93Å; F96-I100 HydrophobicContact CB-CD1 3.96Å; F96-I100 WeakPolarHBondContact O-CD1 3.43Å; F96-I100 WeakPolarHBondContact O-CG1 3.36Å; F96-I100 PolarHBondContact O-N 3.27Å; F96-I122 HydrophobicContact CD1-CG1 4.22Å; F96-I122 HydrophobicContact CD1-CG2 3.97Å; F96-I122 HydrophobicContact CE1-CG2 3.66Å; F96-I122 HydrophobicContact CE2-CG2 4.29Å; F96-I122 HydrophobicContact CG-CG2 4.44Å; F96-I122 HydrophobicContact CZ-CG2 3.82Å; F96-H127 AromaticContact CD1-ND1 3.86Å; F96-H127 HydrophobicContact CE1-CB 4.47Å; F96-H127 AromaticContact CE1-ND1 3.52Å; F96-P215 HydrophobicContact CD2-CG 3.91Å; F96-P215 VanDerWaalsContact CE2-CD 3.43Å; F96-P215 HydrophobicContact CE2-CG 4.21Å
97E91.2Very high88.7Confident39 Ų3958.1 Ų58.118%0.18227%0.274CS..Hα-helixtrans-58.7-48.4-174.3-67.3-174.5-179.100111.5F92 K94 I100 L101 F223 H249F92-E97 HydrophobicContact CD1-CG 4.28Å; F92-E97 HydrophobicContact CE1-CG 4.07Å; K94-E97 WeakPolarHBondContact O-CB 3.27Å; K94-E97 WeakPolarHBondContact O-CG 3.27Å; K94-E97 PolarHBondContact O-N 3.3Å; K94-E97 VanDerWaalsContact O-N 3.17Å; E97-I100 PolarHBondContact O-N 3.29Å; E97-L101 VanDerWaalsContact O-CB 3.3Å; E97-L101 WeakPolarHBondContact O-CB 3.48Å; E97-L101 WeakPolarHBondContact O-CG 3.41Å; E97-L101 PolarHBondContact O-N 3.36Å; E97-F223 HydrophobicContact CB-CZ 3.92Å; E97-F223 HydrophobicContact CG-CE2 3.78Å; E97-F223 HydrophobicContact CG-CZ 3.68Å; E97-H249 IonicContact OE2-CE1 3.18Å; E97-H249 IonicContact OE2-NE2 2.78Å; E97-H249 PolarHBondContact OE2-NE2 3.27Å
98K88.4Confident88.5Confident93 Ų9359.6 Ų59.640%0.40428%0.283SS..Hα-helixtrans-57.2-55.1-177.8-177.6178175-173.70111.8F96 I100 L101 E102 H249F96-K98 PolarHBondContact O-N 2.93Å; K98-I100 VanDerWaalsContact C-N 3.31Å; K98-I100 PolarHBondContact O-N 2.93Å; K98-L101 PolarHBondContact O-N 3.47Å; K98-E102 WeakPolarHBondContact CE-OE1 3.46Å; K98-E102 HydrophobicContact CG-CG 4.42Å; K98-E102 WeakPolarHBondContact O-CB 3.45Å; K98-E102 WeakPolarHBondContact O-CG 3.34Å; K98-E102 PolarHBondContact O-N 3.29Å; K98-H249 HydrophobicContact CB-CB 4.47Å; K98-H249 HydrophobicContact CG-CB 4.34Å
99T88.3Confident88.4Confident30 Ų3062 Ų6218%0.18430%0.296CS..Hα-helixtrans-57.5-43.5-178.4-47.70000112.6R103 T121 H127T99-R103 PolarHBondContact O-N 2.78Å; T99-R103 VanDerWaalsContact O-N 3.12Å; T99-T121 HydrophobicContact CG2-CG2 3.84Å; T99-H127 PolarHBondContact OG1-CD2 3.16Å
100I92.6Very high88.4Confident2 Ų257.2 Ų57.21%0.0128%0.282CS..Hα-helixtrans-69.9-44.4-178.9-66.2165.6000110F92 F96 E97 K98 E102 R103 V104 C118 I122 F223 I224F92-I100 HydrophobicContact CE1-CD1 4.07Å; F92-I100 HydrophobicContact CE2-CD1 4.17Å; F92-I100 HydrophobicContact CZ-CD1 3.32Å; F96-I100 HydrophobicContact CB-CD1 3.96Å; F96-I100 WeakPolarHBondContact O-CD1 3.43Å; F96-I100 WeakPolarHBondContact O-CG1 3.36Å; F96-I100 PolarHBondContact O-N 3.27Å; E97-I100 PolarHBondContact O-N 3.29Å; K98-I100 VanDerWaalsContact C-N 3.31Å; K98-I100 PolarHBondContact O-N 2.93Å; I100-E102 VanDerWaalsContact C-N 3.33Å; I100-E102 PolarHBondContact O-N 3.37Å; I100-R103 PolarHBondContact O-N 3Å; I100-V104 HydrophobicContact CG2-CG2 3.98Å; I100-V104 VanDerWaalsContact O-CB 3.31Å; I100-V104 WeakPolarHBondContact O-CB 3.4Å; I100-V104 WeakPolarHBondContact O-CG2 3.39Å; I100-V104 PolarHBondContact O-N 3.41Å; I100-C118 HydrophobicContact CG1-CB 4.39Å; I100-C118 HydrophobicContact CG2-CB 4.49Å; I100-I122 HydrophobicContact CD1-CD1 3.48Å; I100-I122 VanDerWaalsContact CD1-CD1 3.48Å; I100-I122 HydrophobicContact CD1-CG1 4.34Å; I100-I122 HydrophobicContact CG1-CD1 3.8Å; I100-I122 HydrophobicContact CG1-CG1 4.3Å; I100-F223 HydrophobicContact CB-CE1 4.29Å; I100-F223 HydrophobicContact CG2-CD1 3.84Å; I100-F223 HydrophobicContact CG2-CE1 3.92Å; I100-I224 HydrophobicContact CG2-CG1 4.32Å
101L92.4Very high88.6Confident2 Ų249.6 Ų49.61%0.0125%0.25CS..Hα-helixtrans-64.7-37.4179.1-67.5176.4000112E97 K98 R103 V104 H105 F223 H227 V241 L245 I251E97-L101 VanDerWaalsContact O-CB 3.3Å; E97-L101 WeakPolarHBondContact O-CB 3.48Å; E97-L101 WeakPolarHBondContact O-CG 3.41Å; E97-L101 PolarHBondContact O-N 3.36Å; K98-L101 PolarHBondContact O-N 3.47Å; L101-R103 VanDerWaalsContact C-N 3.33Å; L101-V104 PolarHBondContact O-N 3.38Å; L101-H105 VanDerWaalsContact O-CB 3.32Å; L101-H105 WeakPolarHBondContact O-CB 3.19Å; L101-H105 PolarHBondContact O-N 2.91Å; L101-F223 HydrophobicContact CD1-CZ 4.42Å; L101-F223 HydrophobicContact CD2-CE1 3.75Å; L101-F223 HydrophobicContact CD2-CZ 4.14Å; L101-F223 HydrophobicContact CG-CE1 3.98Å; L101-F223 HydrophobicContact CG-CZ 4.17Å; L101-H227 HydrophobicContact CD2-CB 4.19Å; L101-V241 HydrophobicContact CD1-CG1 4.49Å; L101-V241 HydrophobicContact CD2-CG1 3.73Å; L101-V241 HydrophobicContact CD2-CG2 4.01Å; L101-V241 HydrophobicContact CG-CG1 4.46Å; L101-L245 HydrophobicContact CD1-CB 4.04Å; L101-L245 HydrophobicContact CD1-CD1 4.39Å; L101-I251 HydrophobicContact CB-CD1 3.55Å
102E88.5Confident89Confident88 Ų8851.8 Ų51.841%0.41126%0.255SS..Hα-helixtrans-61.7-40.5173-75.9175.9171.900111.8K98 I100 I251K98-E102 WeakPolarHBondContact CE-OE1 3.46Å; K98-E102 HydrophobicContact CG-CG 4.42Å; K98-E102 WeakPolarHBondContact O-CB 3.45Å; K98-E102 WeakPolarHBondContact O-CG 3.34Å; K98-E102 PolarHBondContact O-N 3.29Å; I100-E102 VanDerWaalsContact C-N 3.33Å; I100-E102 PolarHBondContact O-N 3.37Å; E102-I251 HydrophobicContact CG-CB 4.49Å; E102-I251 HydrophobicContact CG-CD1 3.8Å; E102-I251 HydrophobicContact CG-CG1 3.73Å; E102-I251 HydrophobicContact CG-CG2 4.06Å
103R89.5Confident89.1Confident119 Ų11954 Ų5445%0.44927%0.272SS..Hα-helixtrans-75.5-29.5178.6-164.664.7171.3118.2-6113.1T99 I100 L101 S107 S117T99-R103 PolarHBondContact O-N 2.78Å; T99-R103 VanDerWaalsContact O-N 3.12Å; I100-R103 PolarHBondContact O-N 3Å; L101-R103 VanDerWaalsContact C-N 3.33Å; R103-S107 WeakPolarHBondContact O-CB 3.29Å; R103-S117 PolarHBondContact NE-OG 3.42Å; R103-S117 VanDerWaalsContact NE-OG 3.17Å; R103-S117 PolarHBondContact NH2-OG 2.81Å
104V92.2Very high89.3Confident0 Ų052.6 Ų52.60%026%0.263CS..Hα-helixtrans-81.7-42.1-178.4169.70000111.2I100 L101 L106 S107 L114 I224 A228 W239 V241I100-V104 HydrophobicContact CG2-CG2 3.98Å; I100-V104 VanDerWaalsContact O-CB 3.31Å; I100-V104 WeakPolarHBondContact O-CB 3.4Å; I100-V104 WeakPolarHBondContact O-CG2 3.39Å; I100-V104 PolarHBondContact O-N 3.41Å; L101-V104 PolarHBondContact O-N 3.38Å; V104-L106 PolarHBondContact O-N 3.14Å; V104-S107 VanDerWaalsContact O-CB 3.28Å; V104-S107 WeakPolarHBondContact O-CB 3.48Å; V104-S107 PolarHBondContact O-N 2.83Å; V104-S107 VanDerWaalsContact O-N 3.08Å; V104-L114 HydrophobicContact CB-CD2 4.4Å; V104-L114 HydrophobicContact CG1-CD2 4.25Å; V104-L114 HydrophobicContact CG2-CD1 4.44Å; V104-L114 HydrophobicContact CG2-CD2 4.05Å; V104-L114 HydrophobicContact CG2-CG 4.25Å; V104-I224 HydrophobicContact CG1-CG2 4.15Å; V104-I224 HydrophobicContact CG2-CD1 3.79Å; V104-I224 HydrophobicContact CG2-CG1 3.69Å; V104-I224 HydrophobicContact CG2-CG2 4.45Å; V104-A228 HydrophobicContact CG1-CB 3.6Å; V104-W239 HydrophobicContact CG1-CB 4.05Å; V104-W239 VanDerWaalsContact O-CB 3.22Å; V104-W239 WeakPolarHBondContact O-CB 3.44Å; V104-V241 HydrophobicContact CB-CG2 4.38Å; V104-V241 HydrophobicContact CG1-CG2 3.99Å
105H89.7Confident89.8Confident29 Ų2944.6 Ų44.613%0.13423%0.228CC..THydrogen-bonded Turntrans-60.9126.9-177.4-169.543.7000110.9L101 S107 V241 L246L101-H105 VanDerWaalsContact O-CB 3.32Å; L101-H105 WeakPolarHBondContact O-CB 3.19Å; L101-H105 PolarHBondContact O-N 2.91Å; H105-S107 PolarHBondContact O-N 3.21Å; H105-S107 VanDerWaalsContact O-N 3.15Å; H105-V241 HydrophobicContact CB-CB 4.41Å; H105-V241 HydrophobicContact CB-CG2 3.86Å; H105-L246 HydrophobicContact CB-CD2 4.26Å
106L85.1Confident90.1Very high57 Ų5747 Ų4730%0.29824%0.24SC..THydrogen-bonded Turntrans65.46.3-177.6-51.6175.7000115.5V104 W239 K254 C258V104-L106 PolarHBondContact O-N 3.14Å; L106-W239 PolarHBondContact N-O 3.5Å; L106-K254 HydrophobicContact CD1-CB 4.23Å; L106-C258 HydrophobicContact CD2-CB 4.19Å
107S86.2Confident90.2Very high14 Ų1447.8 Ų47.810%0.09825%0.246CC..  trans-65.2138.3173.3-175.70000110.9R103 V104 H105 L109 L114 P238 W239R103-S107 WeakPolarHBondContact O-CB 3.29Å; V104-S107 VanDerWaalsContact O-CB 3.28Å; V104-S107 WeakPolarHBondContact O-CB 3.48Å; V104-S107 PolarHBondContact O-N 2.83Å; V104-S107 VanDerWaalsContact O-N 3.08Å; H105-S107 PolarHBondContact O-N 3.21Å; H105-S107 VanDerWaalsContact O-N 3.15Å; S107-L109 PolarHBondContact OG-N 3.3Å; S107-L114 WeakPolarHBondContact OG-CD1 3.48Å; S107-P238 CarbonylContact O-C 3.51Å; S107-P238 WeakPolarHBondContact O-CA 3.17Å; S107-W239 PolarHBondContact O-N 3.07Å
108T85.6Confident90.3Very high94 Ų9446 Ų4658%0.57724%0.238SC*.  trans-99.8-2174.153.80000112.5R230 P238T108-R230 PolarHBondContact O-NH2 3.38Å; T108-P238 HydrophobicContact CG2-CB 4.48Å
109L87.3Confident90.6Very high61 Ų6145 Ų4532%0.31923%0.232SC..SBendtrans-64.7143.3-177.4-66.6177.6000111.6S107 L114 W239S107-L109 PolarHBondContact OG-N 3.3Å; L109-L114 HydrophobicContact CB-CB 4.06Å; L109-L114 HydrophobicContact CD1-CD1 4.41Å; L109-W239 PolarHBondContact O-NE1 3.05Å
110P88.1Confident90.6Very high74 Ų7445.3 Ų45.348%0.48123%0.233SC..  trans-55.4151.7166.4-22.333.2000111.1E112 S113 L114P110-E112 VanDerWaalsContact C-N 3.31Å; P110-E112 PolarHBondContact O-N 2.95Å; P110-S113 PolarHBondContact O-N 3.36Å; P110-L114 WeakPolarHBondContact O-CB 3.34Å; P110-L114 PolarHBondContact O-N 3.04Å
111L89.3Confident90.4Very high25 Ų2546.7 Ų46.713%0.13124%0.242CC..Hα-helixtrans-52.8-44.8-173.7179.760.2000113.1L114 V115 K221 I224 R225 W239L111-L114 PolarHBondContact O-N 2.79Å; L111-V115 HydrophobicContact CD1-CG2 3.95Å; L111-V115 HydrophobicContact CG-CG2 4.27Å; L111-V115 WeakPolarHBondContact O-CB 3.3Å; L111-V115 WeakPolarHBondContact O-CG2 3.34Å; L111-V115 PolarHBondContact O-N 3.11Å; L111-K221 HydrophobicContact CD1-CG 4.46Å; L111-K221 HydrophobicContact CD2-CD 4.45Å; L111-K221 HydrophobicContact CD2-CG 3.94Å; L111-K221 HydrophobicContact CG-CG 4.24Å; L111-I224 HydrophobicContact CD1-CB 4.23Å; L111-I224 HydrophobicContact CD1-CD1 4.43Å; L111-I224 HydrophobicContact CD1-CG2 3.8Å; L111-R225 HydrophobicContact CD2-CG 4.18Å; L111-W239 HydrophobicContact CB-CH2 4.17Å; L111-W239 HydrophobicContact CB-CZ2 3.76Å; L111-W239 HydrophobicContact CD1-CH2 3.69Å; L111-W239 HydrophobicContact CD1-CZ2 3.85Å; L111-W239 HydrophobicContact CD2-CH2 4.5Å; L111-W239 HydrophobicContact CG-CH2 4.32Å; L111-W239 HydrophobicContact CG-CZ2 4.32Å
112E91.6Very high90.1Very high102 Ų10246.6 Ų46.648%0.47724%0.242SC..Hα-helixtrans-66.3-44.2-178-63.2-56.7147.900112.1P110 L114 V115 H116 K221P110-E112 VanDerWaalsContact C-N 3.31Å; P110-E112 PolarHBondContact O-N 2.95Å; E112-L114 VanDerWaalsContact C-N 3.32Å; E112-L114 PolarHBondContact O-N 3.1Å; E112-V115 PolarHBondContact O-N 3.03Å; E112-H116 WeakPolarHBondContact O-CB 3.33Å; E112-H116 PolarHBondContact O-N 2.68Å; E112-K221 WeakPolarHBondContact OE1-CE 3.42Å; E112-K221 IonicContact OE1-NZ 3.77Å; E112-K221 PolarHBondContact OE1-NZ 2.8Å; E112-K221 VanDerWaalsContact OE2-CE 3.23Å; E112-K221 WeakPolarHBondContact OE2-CE 3.25Å; E112-K221 IonicContact OE2-NZ 2.73Å; E112-K221 PolarHBondContact OE2-NZ 3.14Å
113S93.5Very high89.9Confident61 Ų6145.6 Ų45.643%0.42724%0.237SC..Hα-helixtrans-63.9-38.5175.1-49.10000111.6P110 H116 S117P110-S113 PolarHBondContact O-N 3.36Å; S113-H116 PolarHBondContact O-N 2.94Å; S113-S117 WeakPolarHBondContact O-CB 3.46Å; S113-S117 PolarHBondContact O-N 3.39Å
114L92.7Very high89.6Confident0 Ų043.1 Ų43.10%023%0.23CC..Hα-helixtrans-67.1-43.1176.3-174.954.8000111.9V104 S107 L109 P110 L111 E112 H116 S117 C118 I224 W239V104-L114 HydrophobicContact CB-CD2 4.4Å; V104-L114 HydrophobicContact CG1-CD2 4.25Å; V104-L114 HydrophobicContact CG2-CD1 4.44Å; V104-L114 HydrophobicContact CG2-CD2 4.05Å; V104-L114 HydrophobicContact CG2-CG 4.25Å; S107-L114 WeakPolarHBondContact OG-CD1 3.48Å; L109-L114 HydrophobicContact CB-CB 4.06Å; L109-L114 HydrophobicContact CD1-CD1 4.41Å; P110-L114 WeakPolarHBondContact O-CB 3.34Å; P110-L114 PolarHBondContact O-N 3.04Å; L111-L114 PolarHBondContact O-N 2.79Å; E112-L114 VanDerWaalsContact C-N 3.32Å; E112-L114 PolarHBondContact O-N 3.1Å; L114-H116 VanDerWaalsContact C-N 3.32Å; L114-H116 PolarHBondContact O-N 3.24Å; L114-S117 PolarHBondContact O-N 3.3Å; L114-C118 PolarHBondContact O-N 2.75Å; L114-C118 PolarHBondContact O-SG 2.88Å; L114-I224 HydrophobicContact CD2-CD1 4.47Å; L114-I224 HydrophobicContact CG-CD1 4.22Å; L114-W239 HydrophobicContact CD2-CD2 4.09Å; L114-W239 HydrophobicContact CD2-CG 3.87Å
115V95.9Very high89.2Confident1 Ų145.6 Ų45.61%0.00624%0.242CC..Hα-helixtrans-60.2-44.21741670000110.3L111 E112 C118 W119 K217 I220 K221 I224L111-V115 HydrophobicContact CD1-CG2 3.95Å; L111-V115 HydrophobicContact CG-CG2 4.27Å; L111-V115 WeakPolarHBondContact O-CB 3.3Å; L111-V115 WeakPolarHBondContact O-CG2 3.34Å; L111-V115 PolarHBondContact O-N 3.11Å; E112-V115 PolarHBondContact O-N 3.03Å; V115-C118 PolarHBondContact O-N 3.35Å; V115-W119 VanDerWaalsContact O-CB 3.23Å; V115-W119 WeakPolarHBondContact O-CB 3.31Å; V115-W119 PolarHBondContact O-N 3.19Å; V115-K217 HydrophobicContact CG1-CB 3.87Å; V115-K217 HydrophobicContact CG1-CG 4.29Å; V115-K217 VanDerWaalsContact CG1-O 3.29Å; V115-K217 WeakPolarHBondContact CG1-O 3.39Å; V115-I220 HydrophobicContact CG1-CB 4.39Å; V115-I220 HydrophobicContact CG1-CG2 4.27Å; V115-I220 HydrophobicContact CG2-CG2 4.43Å; V115-K221 HydrophobicContact CG1-CB 4.46Å; V115-K221 HydrophobicContact CG2-CB 3.73Å; V115-K221 HydrophobicContact CG2-CG 4.07Å; V115-I224 HydrophobicContact CG2-CD1 3.88Å
116H94.3Very high89Confident92 Ų9244.2 Ų44.243%0.42624%0.235SC..Hα-helixtrans-64.6-41.4177.8-17339.5000112.2E112 S113 L114 W119 T120 K217E112-H116 WeakPolarHBondContact O-CB 3.33Å; E112-H116 PolarHBondContact O-N 2.68Å; S113-H116 PolarHBondContact O-N 2.94Å; L114-H116 VanDerWaalsContact C-N 3.32Å; L114-H116 PolarHBondContact O-N 3.24Å; H116-W119 PolarHBondContact O-N 3.41Å; H116-T120 WeakPolarHBondContact O-CB 3.22Å; H116-T120 PolarHBondContact O-N 3.19Å; H116-T120 PolarHBondContact O-OG1 2.87Å; H116-K217 PolarHBondContact ND1-NZ 2.89Å
117S92Very high88.9Confident20 Ų2041.8 Ų41.814%0.1422%0.223CC..Hα-helixtrans-61.1-45.8175.2-1780000112.3R103 S113 L114 T120 T121R103-S117 PolarHBondContact NE-OG 3.42Å; R103-S117 VanDerWaalsContact NE-OG 3.17Å; R103-S117 PolarHBondContact NH2-OG 2.81Å; S113-S117 WeakPolarHBondContact O-CB 3.46Å; S113-S117 PolarHBondContact O-N 3.39Å; L114-S117 PolarHBondContact O-N 3.3Å; S117-T120 PolarHBondContact O-N 3.46Å; S117-T121 PolarHBondContact O-N 3.34Å; S117-T121 PolarHBondContact O-OG1 3.05Å
118C94.1Very high88.7Confident2 Ų245.4 Ų45.41%0.01424%0.24CC..Hα-helixtrans-63.8-46.1175.3-64.80000111.5I100 L114 V115 T120 T121 I122 I220I100-C118 HydrophobicContact CG1-CB 4.39Å; I100-C118 HydrophobicContact CG2-CB 4.49Å; L114-C118 PolarHBondContact O-N 2.75Å; L114-C118 PolarHBondContact O-SG 2.88Å; V115-C118 PolarHBondContact O-N 3.35Å; C118-T120 VanDerWaalsContact C-N 3.32Å; C118-T120 PolarHBondContact O-N 3.4Å; C118-T121 PolarHBondContact O-N 2.77Å; C118-I122 WeakPolarHBondContact O-CD1 3.42Å; C118-I122 VanDerWaalsContact O-CG1 3.23Å; C118-I122 WeakPolarHBondContact O-CG1 3.31Å; C118-I122 PolarHBondContact O-N 3.43Å; C118-I220 HydrophobicContact CB-CG2 3.82Å
119W93.6Very high88.6Confident73 Ų7343.7 Ų43.728%0.27724%0.235SC..Hα-helixtrans-59.5-43.9178.8-178.881.3000111.8V115 H116 I122 H123 K217 I220V115-W119 VanDerWaalsContact O-CB 3.23Å; V115-W119 WeakPolarHBondContact O-CB 3.31Å; V115-W119 PolarHBondContact O-N 3.19Å; H116-W119 PolarHBondContact O-N 3.41Å; W119-I122 PolarHBondContact O-N 2.93Å; W119-H123 AromaticContact CD1-CD2 3.77Å; W119-H123 AromaticContact CD1-NE2 3.92Å; W119-H123 AromaticContact CD2-CD2 3.83Å; W119-H123 AromaticContact CE2-CD2 3.33Å; W119-H123 AromaticContact CE2-NE2 3.48Å; W119-H123 AromaticContact CZ2-CD2 3.67Å; W119-H123 AromaticContact CZ2-NE2 3.68Å; W119-H123 AromaticContact NE1-CD2 3.27Å; W119-H123 PolarHBondContact NE1-CD2 2.89Å; W119-H123 VanDerWaalsContact NE1-CD2 3.27Å; W119-H123 AromaticContact NE1-NE2 3.12Å; W119-H123 PolarHBondContact NE1-NE2 3.42Å; W119-H123 VanDerWaalsContact NE1-NE2 3.12Å; W119-H123 PolarHBondContact O-CD2 3.47Å; W119-H123 VanDerWaalsContact O-CD2 3.31Å; W119-H123 PolarHBondContact O-N 3.03Å; W119-H123 VanDerWaalsContact O-N 3.11Å; W119-K217 HydrophobicContact CB-CG 4.05Å; W119-K217 HydrophobicContact CD2-CG 4.22Å; W119-K217 HydrophobicContact CG-CD 4.45Å; W119-K217 HydrophobicContact CG-CG 3.66Å; W119-I220 HydrophobicContact CB-CD1 3.74Å; W119-I220 HydrophobicContact CG-CD1 4.23Å
120T89.3Confident88.6Confident35 Ų3541 Ų4122%0.21522%0.221CC..Hα-helixtrans-60.1-56.9176.5-56.70000109.1H116 S117 C118 I122 H123 E124H116-T120 WeakPolarHBondContact O-CB 3.22Å; H116-T120 PolarHBondContact O-N 3.19Å; H116-T120 PolarHBondContact O-OG1 2.87Å; S117-T120 PolarHBondContact O-N 3.46Å; C118-T120 VanDerWaalsContact C-N 3.32Å; C118-T120 PolarHBondContact O-N 3.4Å; T120-I122 VanDerWaalsContact C-N 3.26Å; T120-I122 PolarHBondContact O-N 3.28Å; T120-I122 VanDerWaalsContact O-N 3.11Å; T120-H123 PolarHBondContact O-N 3.18Å; T120-E124 HydrophobicContact CG2-CG 3.81Å; T120-E124 WeakPolarHBondContact CG2-OE1 3.25Å; T120-E124 VanDerWaalsContact O-CB 3.29Å; T120-E124 WeakPolarHBondContact O-CB 3.05Å; T120-E124 WeakPolarHBondContact O-CG 3.33Å; T120-E124 PolarHBondContact O-N 3.38Å
121T87Confident88.6Confident32 Ų3239 Ų3920%0.19621%0.208CC..Hα-helixtrans-50-45.5178.5-50.40000112.9T99 S117 C118 H123 E124 Q125T99-T121 HydrophobicContact CG2-CG2 3.84Å; S117-T121 PolarHBondContact O-N 3.34Å; S117-T121 PolarHBondContact O-OG1 3.05Å; C118-T121 PolarHBondContact O-N 2.77Å; T121-H123 VanDerWaalsContact C-N 3.35Å; T121-H123 PolarHBondContact O-N 2.84Å; T121-E124 PolarHBondContact O-N 2.95Å; T121-Q125 PolarHBondContact O-N 3.13Å
122I87.3Confident88.5Confident0 Ų037.9 Ų37.90%020%0.202CC..Hα-helixtrans-62.3-39.6178.8-68.4160.8000112.3F96 I100 C118 W119 T120 R210 A214 P215 I220F96-I122 HydrophobicContact CD1-CG1 4.22Å; F96-I122 HydrophobicContact CD1-CG2 3.97Å; F96-I122 HydrophobicContact CE1-CG2 3.66Å; F96-I122 HydrophobicContact CE2-CG2 4.29Å; F96-I122 HydrophobicContact CG-CG2 4.44Å; F96-I122 HydrophobicContact CZ-CG2 3.82Å; I100-I122 HydrophobicContact CD1-CD1 3.48Å; I100-I122 VanDerWaalsContact CD1-CD1 3.48Å; I100-I122 HydrophobicContact CD1-CG1 4.34Å; I100-I122 HydrophobicContact CG1-CD1 3.8Å; I100-I122 HydrophobicContact CG1-CG1 4.3Å; C118-I122 WeakPolarHBondContact O-CD1 3.42Å; C118-I122 VanDerWaalsContact O-CG1 3.23Å; C118-I122 WeakPolarHBondContact O-CG1 3.31Å; C118-I122 PolarHBondContact O-N 3.43Å; W119-I122 PolarHBondContact O-N 2.93Å; T120-I122 VanDerWaalsContact C-N 3.26Å; T120-I122 PolarHBondContact O-N 3.28Å; T120-I122 VanDerWaalsContact O-N 3.11Å; I122-R210 PolarHBondContact O-NH1 3.35Å; I122-R210 PolarHBondContact O-NH2 3.23Å; I122-A214 HydrophobicContact CG2-CB 4.18Å; I122-P215 HydrophobicContact CD1-CG 4.35Å; I122-I220 HydrophobicContact CD1-CD1 3.62Å; I122-I220 HydrophobicContact CD1-CG1 4.13Å
123H84.7Confident88.2Confident66 Ų6636.8 Ų36.831%0.30620%0.196SC..Hα-helixtrans-81.2-20.3-178.5-88.5-86.1000113.3W119 T120 T121W119-H123 AromaticContact CD1-CD2 3.77Å; W119-H123 AromaticContact CD1-NE2 3.92Å; W119-H123 AromaticContact CD2-CD2 3.83Å; W119-H123 AromaticContact CE2-CD2 3.33Å; W119-H123 AromaticContact CE2-NE2 3.48Å; W119-H123 AromaticContact CZ2-CD2 3.67Å; W119-H123 AromaticContact CZ2-NE2 3.68Å; W119-H123 AromaticContact NE1-CD2 3.27Å; W119-H123 PolarHBondContact NE1-CD2 2.89Å; W119-H123 VanDerWaalsContact NE1-CD2 3.27Å; W119-H123 AromaticContact NE1-NE2 3.12Å; W119-H123 PolarHBondContact NE1-NE2 3.42Å; W119-H123 VanDerWaalsContact NE1-NE2 3.12Å; W119-H123 PolarHBondContact O-CD2 3.47Å; W119-H123 VanDerWaalsContact O-CD2 3.31Å; W119-H123 PolarHBondContact O-N 3.03Å; W119-H123 VanDerWaalsContact O-N 3.11Å; T120-H123 PolarHBondContact O-N 3.18Å; T121-H123 VanDerWaalsContact C-N 3.35Å; T121-H123 PolarHBondContact O-N 2.84Å
124E82.4Confident87.6Confident67 Ų6734.7 Ų34.731%0.31318%0.18SC..Hα-helixtrans-86.3-29.2-174.2-75.4-165.2142.700113.5T120 T121 K183T120-E124 HydrophobicContact CG2-CG 3.81Å; T120-E124 WeakPolarHBondContact CG2-OE1 3.25Å; T120-E124 VanDerWaalsContact O-CB 3.29Å; T120-E124 WeakPolarHBondContact O-CB 3.05Å; T120-E124 WeakPolarHBondContact O-CG 3.33Å; T120-E124 PolarHBondContact O-N 3.38Å; T121-E124 PolarHBondContact O-N 2.95Å; E124-K183 HydrophobicContact CB-CD 4Å; E124-K183 VanDerWaalsContact CD-CE 3.41Å; E124-K183 HydrophobicContact CG-CD 4.37Å; E124-K183 WeakPolarHBondContact O-CD 3.48Å; E124-K183 WeakPolarHBondContact O-CG 3.45Å; E124-K183 WeakPolarHBondContact OE1-CE 3.41Å; E124-K183 IonicContact OE1-NZ 3.05Å; E124-K183 PolarHBondContact OE1-NZ 3.35Å; E124-K183 IonicContact OE2-NZ 2.64Å; E124-K183 PolarHBondContact OE2-NZ 2.89Å
125Q83.1Confident86.6Confident52 Ų5240.3 Ų40.324%0.24320%0.204CC..SBendtrans-131.2149.9-174.8-63.6173.7-0.500110.8T121 H127 Y186 R210T121-Q125 PolarHBondContact O-N 3.13Å; Q125-H127 PolarHBondContact O-CE1 3.25Å; Q125-H127 PolarHBondContact O-ND1 3.27Å; Q125-H127 VanDerWaalsContact O-ND1 3.1Å; Q125-Y186 HydrophobicContact CG-CE1 4.39Å; Q125-Y186 HydrophobicContact CG-CE2 4.21Å; Q125-Y186 PolarHBondContact NE2-OH 3.29Å; Q125-R210 PolarHBondContact O-NH2 3.35Å
126F86.3Confident85.1Confident0 Ų043.8 Ų43.80%023%0.225CC..  trans-82148.3162.5-63.6-86.4000110.1V132 I148 I182 Y188 A205 I208 R210F126-V132 HydrophobicContact CD1-CG1 3.73Å; F126-V132 HydrophobicContact CE1-CG1 4Å; F126-I148 HydrophobicContact CB-CD1 3.96Å; F126-I148 HydrophobicContact CB-CG1 4.05Å; F126-I148 HydrophobicContact CG-CD1 4.45Å; F126-I182 HydrophobicContact CE2-CG2 3.89Å; F126-I182 HydrophobicContact CZ-CD1 4.16Å; F126-I182 HydrophobicContact CZ-CG2 4.34Å; F126-Y188 HydrophobicContact CB-CD1 4.26Å; F126-Y188 HydrophobicContact CB-CE1 3.81Å; F126-Y188 HydrophobicContact CB-CE2 4.28Å; F126-Y188 HydrophobicContact CD2-CD2 4.22Å; F126-Y188 AromaticContact CD2-CE2 3.6Å; F126-Y188 HydrophobicContact CD2-CE2 3.6Å; F126-Y188 AromaticContact CD2-CZ 3.83Å; F126-Y188 HydrophobicContact CE2-CE2 4.47Å; F126-Y188 HydrophobicContact CG-CE2 4.41Å; F126-Y188 PolarHBondContact N-OH 3.21Å; F126-Y188 VanDerWaalsContact N-OH 3.1Å; F126-Y188 WeakPolarHBondContact O-CE1 3.45Å; F126-A205 HydrophobicContact CE2-CB 4.35Å; F126-I208 HydrophobicContact CD1-CG2 4.12Å; F126-I208 HydrophobicContact CD2-CG2 4.44Å; F126-I208 HydrophobicContact CE1-CB 4.37Å; F126-I208 HydrophobicContact CE1-CG2 3.69Å; F126-I208 HydrophobicContact CE2-CB 3.96Å; F126-I208 HydrophobicContact CE2-CG2 4.06Å; F126-I208 HydrophobicContact CG-CG2 4.47Å; F126-I208 HydrophobicContact CZ-CB 3.84Å; F126-I208 HydrophobicContact CZ-CG2 3.67Å; F126-I208 WeakPolarHBondContact CZ-O 3.35Å; F126-R210 HydrophobicContact CD1-CG 4.06Å; F126-R210 HydrophobicContact CE1-CG 3.49Å; F126-R210 VanDerWaalsContact CE1-CG 3.49Å; F126-R210 HydrophobicContact CZ-CG 4.46Å
127H83.5Confident82.7Confident7 Ų746 Ų463%0.03224%0.241CC..  trans-115.9150.7-171.1-63.476000112.1F96 T99 Q125 A129 E130 I148F96-H127 AromaticContact CD1-ND1 3.86Å; F96-H127 HydrophobicContact CE1-CB 4.47Å; F96-H127 AromaticContact CE1-ND1 3.52Å; T99-H127 PolarHBondContact OG1-CD2 3.16Å; Q125-H127 PolarHBondContact O-CE1 3.25Å; Q125-H127 PolarHBondContact O-ND1 3.27Å; Q125-H127 VanDerWaalsContact O-ND1 3.1Å; H127-A129 PolarHBondContact O-N 2.92Å; H127-E130 HydrophobicContact CB-CB 4.46Å; H127-E130 PolarHBondContact N-OE2 2.98Å; H127-E130 IonicContact ND1-OE2 3.81Å; H127-E130 WeakPolarHBondContact O-CB 3.48Å; H127-E130 PolarHBondContact O-N 2.95Å; H127-I148 WeakPolarHBondContact O-CB 3.34Å
128I80.8Confident81.1Confident89 Ų8950.5 Ų50.546%0.45627%0.272SS..THydrogen-bonded Turntrans-56.1134.5178.1-58.9167.4000109.8E130 I151I128-E130 PolarHBondContact O-N 3.38Å; I128-I151 HydrophobicContact CG1-CD1 4.15Å; I128-I151 HydrophobicContact CG1-CG1 4.12Å
129A83.9Confident79.1Confident58 Ų5857.2 Ų57.248%0.47931%0.312SS..THydrogen-bonded Turntrans67.48.9-172.600000116.1F95 H127 I148F95-A129 HydrophobicContact CB-CB 4.48Å; H127-A129 PolarHBondContact O-N 2.92Å; A129-I148 PolarHBondContact N-O 2.84Å
130E88.4Confident77.2Confident4 Ų456.9 Ų56.92%0.01932%0.321CS..  trans-72.9128.1171.4-174.3167-168.800110.3F95 H127 I128 V132 I148 R210F95-E130 HydrophobicContact CD2-CB 3.9Å; F95-E130 HydrophobicContact CD2-CG 4.05Å; F95-E130 HydrophobicContact CE2-CB 4.01Å; F95-E130 HydrophobicContact CE2-CG 3.63Å; F95-E130 HydrophobicContact CG-CB 4.44Å; F95-E130 HydrophobicContact CZ-CG 4.19Å; H127-E130 HydrophobicContact CB-CB 4.46Å; H127-E130 PolarHBondContact N-OE2 2.98Å; H127-E130 IonicContact ND1-OE2 3.81Å; H127-E130 WeakPolarHBondContact O-CB 3.48Å; H127-E130 PolarHBondContact O-N 2.95Å; I128-E130 PolarHBondContact O-N 3.38Å; E130-V132 HydrophobicContact CG-CG1 4.4Å; E130-I148 HydrophobicContact CB-CG1 4.41Å; E130-I148 PolarHBondContact O-N 3.41Å; E130-I148 VanDerWaalsContact O-N 3.15Å; E130-R210 VanDerWaalsContact OE1-CD 3.24Å; E130-R210 WeakPolarHBondContact OE1-CD 3.4Å; E130-R210 IonicContact OE1-CZ 2.77Å; E130-R210 IonicContact OE1-NE 3.88Å; E130-R210 PolarHBondContact OE1-NE 3.19Å; E130-R210 IonicContact OE1-NH1 2.84Å; E130-R210 PolarHBondContact OE1-NH1 3.21Å
131P86.6Confident75.7Confident34 Ų3462.8 Ų62.822%0.22135%0.352CS..EExtended strand (participates in β ladder)trans-77.9126.9176.430.9-33.9000110.9F95 I211F95-P131 HydrophobicContact CE1-CG 4.42Å; P131-I211 HydrophobicContact CB-CD1 4.24Å
132V88.4Confident74.4Confident0 Ų064.2 Ų64.20%037%0.366CS..EExtended strand (participates in β ladder)trans-131.1159.9-173.5-650000112.1F126 E130 G146 I148 V190 I208 D209 I211F126-V132 HydrophobicContact CD1-CG1 3.73Å; F126-V132 HydrophobicContact CE1-CG1 4Å; E130-V132 HydrophobicContact CG-CG1 4.4Å; V132-G146 PolarHBondContact N-O 3.45Å; V132-G146 PolarHBondContact O-N 3.44Å; V132-G146 VanDerWaalsContact O-O 3.11Å; V132-I148 HydrophobicContact CG1-CD1 4.05Å; V132-I148 HydrophobicContact CG1-CG1 3.87Å; V132-I148 HydrophobicContact CG2-CD1 3.92Å; V132-I148 HydrophobicContact CG2-CG1 4.13Å; V132-V190 HydrophobicContact CG2-CG1 3.99Å; V132-I208 HydrophobicContact CB-CG2 3.48Å; V132-I208 VanDerWaalsContact CB-CG2 3.48Å; V132-I208 HydrophobicContact CG1-CG2 3.66Å; V132-I208 HydrophobicContact CG2-CG2 3.82Å; V132-D209 CarbonylContact C-O 3.47Å; V132-D209 WeakPolarHBondContact CA-O 3.43Å; V132-I211 WeakPolarHBondContact O-CD1 3.41Å
133K85.3Confident73.4Confident80 Ų8067.6 Ų67.635%0.34839%0.388SS..EExtended strand (participates in β ladder)trans-113.8130.4173.8173.8-176.7166.6173.40108.4P143 I144 D209 I211K133-P143 HydrophobicContact CD-CB 3.68Å; K133-P143 HydrophobicContact CD-CG 4.29Å; K133-P143 HydrophobicContact CG-CB 3.97Å; K133-P143 VanDerWaalsContact NZ-CG 3.34Å; K133-I144 WeakPolarHBondContact CA-O 3.27Å; K133-D209 HydrophobicContact CB-CB 4.45Å; K133-D209 PolarHBondContact N-O 3.49Å; K133-D209 PolarHBondContact O-N 3.43Å; K133-I211 HydrophobicContact CB-CG1 4.13Å
134L80.9Confident73Confident16 Ų1667.4 Ų67.48%0.08439%0.389CS..EExtended strand (participates in β ladder)trans-86.8137.2173.9-59.5178.5000110I144 V190 V192 V203 S207 I208L134-I144 HydrophobicContact CB-CB 4.36Å; L134-I144 HydrophobicContact CD1-CG2 4.33Å; L134-I144 PolarHBondContact N-O 2.94Å; L134-V190 HydrophobicContact CD1-CG1 4.21Å; L134-V190 HydrophobicContact CD2-CG1 4.19Å; L134-V190 HydrophobicContact CD2-CG2 4.26Å; L134-V190 HydrophobicContact CG-CG1 4.39Å; L134-V192 HydrophobicContact CD1-CG2 3.88Å; L134-V203 HydrophobicContact CD2-CG1 3.88Å; L134-S207 WeakPolarHBondContact CA-O 3.04Å; L134-I208 HydrophobicContact CD2-CG1 3.91Å
135K71.7Confident73Confident118 Ų11871.6 Ų71.651%0.51340%0.402SS..  trans-79.9117.6168.3-68.7178.3-172.1153.70107.9C206 S207 D209K135-C206 PolarHBondContact NZ-O 3.06Å; K135-S207 PolarHBondContact N-O 3.5Å; K135-D209 WeakPolarHBondContact CE-OD1 3.16Å; K135-D209 WeakPolarHBondContact CE-OD2 3.34Å; K135-D209 IonicContact NZ-OD1 3.42Å; K135-D209 PolarHBondContact NZ-OD1 3Å; K135-D209 VanDerWaalsContact NZ-OD1 3.08Å; K135-D209 IonicContact NZ-OD2 3.32Å
136V63Low73.1Confident74 Ų7469.1 Ų69.145%0.44839%0.39SS..  trans-111.3140.3174.7-174.50000107.8I144V136-I144 HydrophobicContact CG2-CB 4.37Å; V136-I144 HydrophobicContact CG2-CD1 3.56Å; V136-I144 HydrophobicContact CG2-CG1 3.81Å
137D45.3Very low73.1Confident140 Ų14072 Ų7275%0.74941%0.405SS*.  trans-56.6157.9-177.7-85.7-32.7000113.3V139D137-V139 PolarHBondContact O-N 3.31Å
138S56.9Low73.3Confident114 Ų11471.7 Ų71.780%0.79740%0.404SS*.THydrogen-bonded Turntrans-48.6-0.5-162.632.30000118.6
139V53.4Low73.4Confident143 Ų14371.4 Ų71.487%0.86740%0.403SS*.THydrogen-bonded Turntrans-91.3-34.5-175.1-172.60000112.9D137D137-V139 PolarHBondContact O-N 3.31Å
140S54Low73Confident66 Ų6672.6 Ų72.646%0.46240%0.401SS..  trans-103.3-14-169.969.10000116.2A142S140-A142 PolarHBondContact O-N 3.48Å
141N56.1Low72.2Confident159 Ų15974.3 Ų74.385%0.8541%0.41SS*.  trans44.7-0178.1-105.4-5.1000118.4
142A61.2Low71.5Confident61 Ų6174.8 Ų74.850%0.50441%0.411SS..  trans-98.6119.7-17700000109.9S140 I144S140-A142 PolarHBondContact O-N 3.48Å; A142-I144 PolarHBondContact O-N 2.81Å; A142-I144 VanDerWaalsContact O-N 3.1Å
143P66.3Low70Confident71 Ų7184.6 Ų84.646%0.46145%0.453SS..  trans-56.7109.2174.1-29.239.1000113.3K133 R145K133-P143 HydrophobicContact CD-CB 3.68Å; K133-P143 HydrophobicContact CD-CG 4.29Å; K133-P143 HydrophobicContact CG-CB 3.97Å; K133-P143 VanDerWaalsContact NZ-CG 3.34Å; P143-R145 PolarHBondContact O-N 3.5Å
144I74.7Confident68.1Low63 Ų6385.6 Ų85.632%0.32347%0.47SS..EExtended strand (participates in β ladder)trans-75.2117.1171.2-58.8-173.4000108.8K133 L134 V136 A142 V192K133-I144 WeakPolarHBondContact CA-O 3.27Å; L134-I144 HydrophobicContact CB-CB 4.36Å; L134-I144 HydrophobicContact CD1-CG2 4.33Å; L134-I144 PolarHBondContact N-O 2.94Å; V136-I144 HydrophobicContact CG2-CB 4.37Å; V136-I144 HydrophobicContact CG2-CD1 3.56Å; V136-I144 HydrophobicContact CG2-CG1 3.81Å; A142-I144 PolarHBondContact O-N 2.81Å; A142-I144 VanDerWaalsContact O-N 3.1Å; I144-V192 HydrophobicContact CG2-CB 4.22Å; I144-V192 HydrophobicContact CG2-CG1 3.28Å; I144-V192 HydrophobicContact CG2-CG2 3.91Å
145R82.8Confident66.4Low155 Ų15590.7 Ų90.759%0.58549%0.494SS*.EExtended strand (participates in β ladder)trans-86.5137.3175.4-65.7-175.1-180-143.51.4109.7P143 L193 I211P143-R145 PolarHBondContact O-N 3.5Å; R145-L193 PolarHBondContact O-N 3.4Å; R145-I211 HydrophobicContact CG-CD1 4.26Å
146G85.7Confident65.1Low0 Ų090 Ų900%050%0.499CS..EExtended strand (participates in β ladder)trans-142.7171.1176.100000112.4V132 K191V132-G146 PolarHBondContact N-O 3.45Å; V132-G146 PolarHBondContact O-N 3.44Å; V132-G146 VanDerWaalsContact O-O 3.11Å; G146-K191 CarbonylContact C-O 3.39Å; G146-K191 WeakPolarHBondContact CA-O 3.32Å
147I87.3Confident64Low60 Ų6089.7 Ų89.731%0.30850%0.497SS..EExtended strand (participates in β ladder)trans-123.1133.2174.4-59.2177.8000107.4D149 K191 L193I147-D149 PolarHBondContact O-N 3.36Å; I147-K191 PolarHBondContact N-O 3.15Å; I147-K191 PolarHBondContact O-N 3.06Å; I147-L193 HydrophobicContact CD1-CD1 4.1Å; I147-L193 HydrophobicContact CD1-CD2 4Å; I147-L193 HydrophobicContact CD1-CG 4.4Å; I147-L193 HydrophobicContact CG1-CD1 4.03Å; I147-L193 HydrophobicContact CG1-CD2 4.37Å; I147-L193 HydrophobicContact CG1-CG 4.3Å
148I86.2Confident63.7Low1 Ų188.4 Ų88.41%0.00550%0.497CS..EExtended strand (participates in β ladder)trans-66116.1174.9-56.8-72.1000108.7F126 H127 A129 E130 V132 Y188 V190 I208F126-I148 HydrophobicContact CB-CD1 3.96Å; F126-I148 HydrophobicContact CB-CG1 4.05Å; F126-I148 HydrophobicContact CG-CD1 4.45Å; H127-I148 WeakPolarHBondContact O-CB 3.34Å; A129-I148 PolarHBondContact N-O 2.84Å; E130-I148 HydrophobicContact CB-CG1 4.41Å; E130-I148 PolarHBondContact O-N 3.41Å; E130-I148 VanDerWaalsContact O-N 3.15Å; V132-I148 HydrophobicContact CG1-CD1 4.05Å; V132-I148 HydrophobicContact CG1-CG1 3.87Å; V132-I148 HydrophobicContact CG2-CD1 3.92Å; V132-I148 HydrophobicContact CG2-CG1 4.13Å; I148-Y188 HydrophobicContact CD1-CD1 4.33Å; I148-Y188 HydrophobicContact CD1-CG 4.16Å; I148-Y188 HydrophobicContact CG2-CD1 4.07Å; I148-V190 HydrophobicContact CD1-CG2 4.11Å; I148-I208 HydrophobicContact CD1-CD1 4.25Å
149D83Confident62.7Low82 Ų8287 Ų8744%0.43948%0.484SS..EExtended strand (participates in β ladder)trans-90.7-49.2-177-165.151.7000110.8I147 N189 K191I147-D149 PolarHBondContact O-N 3.36Å; D149-N189 HydrophobicContact CB-CB 4.42Å; D149-N189 PolarHBondContact N-O 2.95Å; D149-K191 HydrophobicContact CB-CB 4.45Å
150D76.3Confident61.9Low84 Ų8485.7 Ų85.745%0.44948%0.478SS..EExtended strand (participates in β ladder)trans-148.7158.5179.4-158.57.1000113.2N189D150-N189 HydrophobicContact CB-CB 4.28Å; D150-N189 PolarHBondContact O-N 3.06Å
151I72Confident60.8Low40 Ų4089 Ų8921%0.20550%0.495CS..EExtended strand (participates in β ladder)trans-109.9112.6-178.5-53.9175.6000109I128 K153 Y188I128-I151 HydrophobicContact CG1-CD1 4.15Å; I128-I151 HydrophobicContact CG1-CG1 4.12Å; I151-K153 PolarHBondContact O-N 3.16Å; I151-Y188 HydrophobicContact CG1-CD1 4.12Å; I151-Y188 HydrophobicContact CG1-CE1 4.07Å; I151-Y188 HydrophobicContact CG2-CD1 4.41Å; I151-Y188 HydrophobicContact CG2-CE1 4.05Å
152I70.7Confident59.9Low44 Ų4487.2 Ų87.223%0.22649%0.492CS..EExtended strand (participates in β ladder)trans-74.7111.6-180-53.7172.8000108.6S154 A187 D202I152-S154 PolarHBondContact O-N 2.95Å; I152-A187 HydrophobicContact CD1-CB 4.35Å; I152-A187 PolarHBondContact N-O 3.07Å; I152-D202 HydrophobicContact CD1-CB 4.08Å
153K56.6Low58.3Low205 Ų20591.6 Ų91.689%0.89151%0.507SS*.  trans-78.8-5-171.9-80.3-178.3179.11740115.6I151I151-K153 PolarHBondContact O-N 3.16Å
154S46.8Very low56.5Low102 Ų10295.3 Ų95.371%0.71352%0.523SS*.SBendtrans-131.94.7-157.346.60000119I152I152-S154 PolarHBondContact O-N 2.95Å
155Q44.7Very low54.4Low123 Ų12399.3 Ų99.358%0.57555%0.551SS**  trans-133.1117.8177.8-71.1-177-2.400112.8
156T44.4Very low51.8Low103 Ų10397.2 Ų97.263%0.63256%0.56SS**  trans-88.8104.6167.134.60000107.3K185T156-K185 HydrophobicContact CG2-CB 4.18Å; T156-K185 HydrophobicContact CG2-CD 4.46Å; T156-K185 HydrophobicContact CG2-CG 4.31Å
157V40.4Very low49.9Very low67 Ų67102.2 Ų102.241%0.40659%0.592SS.*PPolyproline II helixtrans-73125.8-178.3-1750000109.9
158P37.9Very low46.9Very low113 Ų113105.8 Ų105.873%0.73461%0.612SS**PPolyproline II helixtrans-66.3134.5174.8-14.728.5000110.8
159T36.8Very low44Very low85 Ų85112 Ų11252%0.52165%0.645SS.*PPolyproline II helixtrans-80125.2-176.6-390000110.4K184T159-K184 HydrophobicContact CG2-CD 4.4Å
160P35.9Very low41.4Very low115 Ų115112.8 Ų112.875%0.74766%0.657SS**PPolyproline II helixtrans-70.3138.4174.8-12.327.1000111
161V30.8Very low39.4Very low137 Ų137115.5 Ų115.583%0.8367%0.672SS**PPolyproline II helixtrans-79.1122.9178.5-147.20000108.1D163V161-D163 PolarHBondContact O-N 2.85Å
162P37.7Very low37.2Very low120 Ų120121.8 Ų121.878%0.77970%0.697SS**PPolyproline II helixtrans-82.8119.7-179.529.9-28.8000110.3
163D26.8Very low35.1Very low153 Ų153128 Ų12882%0.81873%0.725SS**PPolyproline II helixtrans-70.6150.7173.8-96.9-36.4000112.7V161V161-D163 PolarHBondContact O-N 2.85Å
164N28.2Very low33.6Very low150 Ų150124.7 Ų124.780%0.80272%0.718SS**PPolyproline II helixtrans-54.1132.3-172.9-63-55.5000114.4
165T31.4Very low32.9Very low147 Ų147126.8 Ų126.890%0.90273%0.726SS**  trans-161.6120.5140.610.40000110.6
166S27.9Very low32.1Very low110 Ų110126.5 Ų126.577%0.76973%0.733SS**  trans-78.9-175.6169.5-149.60000109.7
167P45.3Very low31.4Very low106 Ų106130.4 Ų130.469%0.68874%0.741SS**  cis-129.4-170.4-37.4213.2000111.9
168N25.3Very low31Very low135 Ų135137.4 Ų137.472%0.72277%0.766SS**  trans110.3102.9146.7-95.27.2000120.2
169N26.1Very low30.8Very low130 Ų130139 Ų13970%0.69577%0.768SS**  71.5111.9123.8-71.8-13.5000121.2
170S26.6Very low30.8Very low100 Ų100139.3 Ų139.370%0.69977%0.774SS**  trans56.9104133.3560000118.2
171D34.2Very low30.9Very low140 Ų140140 Ų14075%0.74978%0.778SS**  -166.9129.9113.6-98.8-36.2000114.1
172K26.6Very low31.8Very low172 Ų172136.1 Ų136.175%0.74875%0.752SS**  trans35.4119143.2-69.5171.2-179164.50122.5
173E26.3Very low32.4Very low174 Ų174133.2 Ų133.281%0.81373%0.728SS**  73.7124.1127.3-66.1-174.4157.400121.3
174N26.6Very low33.6Very low136 Ų136133.1 Ų133.173%0.72772%0.72SS**  trans70.272154.6-82.3-14.5000119.6
175V32Very low35.2Very low147 Ų147133.1 Ų133.189%0.89171%0.713SS**  trans-129.678.2143.3-172.30000109.9K177V175-K177 PolarHBondContact O-N 3.23Å
176T28Very low37.1Very low116 Ų116129.6 Ų129.671%0.71268%0.683SS**  trans-82.9100.8170.942.30000110.1
177K29.5Very low39.5Very low186 Ų186124.4 Ų124.481%0.80965%0.647SS**  trans16187.6142.9-88159.4-173.4171.10109.1V175 N179V175-K177 PolarHBondContact O-N 3.23Å; K177-N179 PolarHBondContact O-N 3.02Å; K177-N179 VanDerWaalsContact O-N 3.14Å
178K30.3Very low41.5Very low214 Ų214119.4 Ų119.493%0.9362%0.615SS**  trans-65.4107167.8-77.8-178.2174.2-179.10108.9
179N34.4Very low44.3Very low146 Ų146114 Ų11478%0.78159%0.586SS**  trans-64.7137.8159.3-74.5-27.1000108.3K177K177-N179 PolarHBondContact O-N 3.02Å; K177-N179 VanDerWaalsContact O-N 3.14Å
180S36.2Very low47.1Very low91 Ų91107.8 Ų107.864%0.63655%0.553SS**  trans-52.6144.7175.121.60000111.6I182S180-I182 PolarHBondContact O-N 3.12Å; S180-I182 VanDerWaalsContact O-N 3.13Å
181P38.7Very low49.9Very low130 Ų130107.2 Ų107.284%0.84454%0.537SS*.  trans-66.4114.3-16825.5-32000111K183P181-K183 PolarHBondContact O-N 3.18Å
182I49.2Very low52.2Low56 Ų56101.1 Ų101.129%0.28751%0.505SS..  trans-68.5112.5177.8-65.7170.3000109.1F126 S180 A205F126-I182 HydrophobicContact CE2-CG2 3.89Å; F126-I182 HydrophobicContact CZ-CD1 4.16Å; F126-I182 HydrophobicContact CZ-CG2 4.34Å; S180-I182 PolarHBondContact O-N 3.12Å; S180-I182 VanDerWaalsContact O-N 3.13Å; I182-A205 HydrophobicContact CG2-CB 4.32Å
183K50.3Low54.4Low59 Ų5998.1 Ų98.126%0.25750%0.497SS..  trans1.8103.7158.1-56.5-146.1174.7-1710119E124 P181 K185 Y186 A205E124-K183 HydrophobicContact CB-CD 4Å; E124-K183 VanDerWaalsContact CD-CE 3.41Å; E124-K183 HydrophobicContact CG-CD 4.37Å; E124-K183 WeakPolarHBondContact O-CD 3.48Å; E124-K183 WeakPolarHBondContact O-CG 3.45Å; E124-K183 WeakPolarHBondContact OE1-CE 3.41Å; E124-K183 IonicContact OE1-NZ 3.05Å; E124-K183 PolarHBondContact OE1-NZ 3.35Å; E124-K183 IonicContact OE2-NZ 2.64Å; E124-K183 PolarHBondContact OE2-NZ 2.89Å; P181-K183 PolarHBondContact O-N 3.18Å; K183-K185 PolarHBondContact O-N 2.79Å; K183-Y186 HydrophobicContact CB-CD2 4.13Å; K183-Y186 HydrophobicContact CB-CE2 4.38Å; K183-Y186 HydrophobicContact CD-CD2 4.29Å; K183-Y186 HydrophobicContact CD-CE2 3.76Å; K183-A205 VanDerWaalsContact O-CB 3.31Å; K183-A205 WeakPolarHBondContact O-CB 3.34Å
184K53.4Low56.4Low151 Ų15192.6 Ų92.666%0.65748%0.478SS*.THydrogen-bonded Turntrans-63.47.1171.1-60.9-176.2175.9-174.90116.5T159T159-K184 HydrophobicContact CG2-CD 4.4Å
185K60.2Low58.5Low149 Ų14994.6 Ų94.665%0.64849%0.488SS*.THydrogen-bonded Turntrans-1111.2-165.7-69.5-167.7178.8-172.20116.3T156 K183T156-K185 HydrophobicContact CG2-CB 4.18Å; T156-K185 HydrophobicContact CG2-CD 4.46Å; T156-K185 HydrophobicContact CG2-CG 4.31Å; K183-K185 PolarHBondContact O-N 2.79Å
186Y72.7Confident60.2Low73 Ų7393.7 Ų93.729%0.28648%0.477SS..  trans-126.7143.8-175.7-61.2-84.1000111.3Q125 K183 Y188 A205Q125-Y186 HydrophobicContact CG-CE1 4.39Å; Q125-Y186 HydrophobicContact CG-CE2 4.21Å; Q125-Y186 PolarHBondContact NE2-OH 3.29Å; K183-Y186 HydrophobicContact CB-CD2 4.13Å; K183-Y186 HydrophobicContact CB-CE2 4.38Å; K183-Y186 HydrophobicContact CD-CD2 4.29Å; K183-Y186 HydrophobicContact CD-CE2 3.76Å; Y186-Y188 WeakPolarHBondContact CB-OH 3.06Å; Y186-A205 WeakPolarHBondContact O-CB 3.28Å; Y186-A205 PolarHBondContact O-N 2.92Å
187A78.6Confident62Low2 Ų292.2 Ų92.22%0.01747%0.47CS..EExtended strand (participates in β ladder)trans-123.1149.3171.400000110.4I152 D202 V203I152-A187 HydrophobicContact CD1-CB 4.35Å; I152-A187 PolarHBondContact N-O 3.07Å; A187-D202 WeakPolarHBondContact CB-OD1 3.32Å; A187-V203 WeakPolarHBondContact CA-O 3.47Å
188Y85.7Confident64.3Low1 Ų186.9 Ų86.90%0.00445%0.452CS..EExtended strand (participates in β ladder)trans-134.7144.9-169.4-60.3-85.7000111.5F126 I148 I151 Y186 V203 A205 I208F126-Y188 HydrophobicContact CB-CD1 4.26Å; F126-Y188 HydrophobicContact CB-CE1 3.81Å; F126-Y188 HydrophobicContact CB-CE2 4.28Å; F126-Y188 HydrophobicContact CD2-CD2 4.22Å; F126-Y188 AromaticContact CD2-CE2 3.6Å; F126-Y188 HydrophobicContact CD2-CE2 3.6Å; F126-Y188 AromaticContact CD2-CZ 3.83Å; F126-Y188 HydrophobicContact CE2-CE2 4.47Å; F126-Y188 HydrophobicContact CG-CE2 4.41Å; F126-Y188 PolarHBondContact N-OH 3.21Å; F126-Y188 VanDerWaalsContact N-OH 3.1Å; F126-Y188 WeakPolarHBondContact O-CE1 3.45Å; I148-Y188 HydrophobicContact CD1-CD1 4.33Å; I148-Y188 HydrophobicContact CD1-CG 4.16Å; I148-Y188 HydrophobicContact CG2-CD1 4.07Å; I151-Y188 HydrophobicContact CG1-CD1 4.12Å; I151-Y188 HydrophobicContact CG1-CE1 4.07Å; I151-Y188 HydrophobicContact CG2-CD1 4.41Å; I151-Y188 HydrophobicContact CG2-CE1 4.05Å; Y186-Y188 WeakPolarHBondContact CB-OH 3.06Å; Y188-V203 PolarHBondContact N-O 2.77Å; Y188-V203 WeakPolarHBondContact O-CB 3.34Å; Y188-V203 PolarHBondContact O-N 3.36Å; Y188-A205 HydrophobicContact CE2-CB 3.96Å; Y188-I208 HydrophobicContact CD2-CD1 3.7Å; Y188-I208 HydrophobicContact CG-CD1 4.17Å
189N84.7Confident66.7Low21 Ų2179.1 Ų79.111%0.11242%0.423CS..EExtended strand (participates in β ladder)trans-84.8121.1165.6-66.3-27.3000108.3D149 D150 V199 V200 H201 D202D149-N189 HydrophobicContact CB-CB 4.42Å; D149-N189 PolarHBondContact N-O 2.95Å; D150-N189 HydrophobicContact CB-CB 4.28Å; D150-N189 PolarHBondContact O-N 3.06Å; N189-V199 HydrophobicContact CB-CG1 4.42Å; N189-V200 CarbonylContact C-O 3.25Å; N189-V200 WeakPolarHBondContact CA-O 3.28Å; N189-H201 VanDerWaalsContact CG-ND1 3.29Å; N189-H201 WeakPolarHBondContact OD1-CA 3.48Å; N189-H201 PolarHBondContact OD1-ND1 3.14Å; N189-D202 PolarHBondContact OD1-N 2.91Å
190V85.8Confident68.8Low0 Ų074.8 Ų74.80%040%0.402CS..EExtended strand (participates in β ladder)trans-116.3116.2-175.6-173.40000109.7V132 L134 I148 V192 V200 V203 I208V132-V190 HydrophobicContact CG2-CG1 3.99Å; L134-V190 HydrophobicContact CD1-CG1 4.21Å; L134-V190 HydrophobicContact CD2-CG1 4.19Å; L134-V190 HydrophobicContact CD2-CG2 4.26Å; L134-V190 HydrophobicContact CG-CG1 4.39Å; I148-V190 HydrophobicContact CD1-CG2 4.11Å; V190-V192 PolarHBondContact O-N 3.39Å; V190-V200 PolarHBondContact N-O 3.49Å; V190-V200 PolarHBondContact O-N 3.48Å; V190-V203 HydrophobicContact CB-CG2 4.27Å; V190-V203 HydrophobicContact CG2-CB 3.96Å; V190-V203 HydrophobicContact CG2-CG1 4.43Å; V190-V203 HydrophobicContact CG2-CG2 3.87Å; V190-I208 HydrophobicContact CG2-CD1 4.04Å
191K83.9Confident71Confident87 Ų8776.5 Ų76.538%0.37840%0.399SS..EExtended strand (participates in β ladder)trans-79.4106.7171.2-172.3173.3-174.6171.30109.3G146 I147 D149 V199G146-K191 CarbonylContact C-O 3.39Å; G146-K191 WeakPolarHBondContact CA-O 3.32Å; I147-K191 PolarHBondContact N-O 3.15Å; I147-K191 PolarHBondContact O-N 3.06Å; D149-K191 HydrophobicContact CB-CB 4.45Å; K191-V199 HydrophobicContact CB-CG2 4.37Å; K191-V199 HydrophobicContact CG-CG2 4.24Å
192V83Confident73Confident13 Ų1373.4 Ų73.48%0.07938%0.376CS..EExtended strand (participates in β ladder)trans-72.5131.7178173.30000109.9L134 I144 V190 S194 V198 V200L134-V192 HydrophobicContact CD1-CG2 3.88Å; I144-V192 HydrophobicContact CG2-CB 4.22Å; I144-V192 HydrophobicContact CG2-CG1 3.28Å; I144-V192 HydrophobicContact CG2-CG2 3.91Å; V190-V192 PolarHBondContact O-N 3.39Å; V192-S194 VanDerWaalsContact C-N 3.35Å; V192-S194 PolarHBondContact O-N 3.46Å; V192-V198 PolarHBondContact N-O 2.92Å; V192-V200 HydrophobicContact CG2-CG2 3.63Å
193L72.9Confident74.5Confident108 Ų10871.4 Ų71.457%0.56537%0.366SS*.  trans-88.473.6176.9-62.1174.3000109.4R145 I147R145-L193 PolarHBondContact O-N 3.4Å; I147-L193 HydrophobicContact CD1-CD1 4.1Å; I147-L193 HydrophobicContact CD1-CD2 4Å; I147-L193 HydrophobicContact CD1-CG 4.4Å; I147-L193 HydrophobicContact CG1-CD1 4.03Å; I147-L193 HydrophobicContact CG1-CD2 4.37Å; I147-L193 HydrophobicContact CG1-CG 4.3Å
194S68.4Low76Confident59 Ų5971 Ų7141%0.41337%0.37SS..SBendtrans-105.9171.916638.50000110.3V192 I196V192-S194 VanDerWaalsContact C-N 3.35Å; V192-S194 PolarHBondContact O-N 3.46Å; S194-I196 CarbonylContact O-C 3.6Å; S194-I196 PolarHBondContact O-N 2.84Å; S194-I196 PolarHBondContact OG-O 3.47Å
195D70.3Confident77.2Confident177 Ų17764 Ų6495%0.94734%0.34SS*.SBendtrans-53.1-28.5176.6-60.3-30.6000112.3
196I67.2Low78.1Confident128 Ų12860.4 Ų60.466%0.65633%0.333SS*.SBendtrans-112.3120.1168.8-56.4167.5000107.4S194 V198S194-I196 CarbonylContact O-C 3.6Å; S194-I196 PolarHBondContact O-N 2.84Å; S194-I196 PolarHBondContact OG-O 3.47Å; I196-V198 PolarHBondContact O-N 3.27Å; I196-V198 VanDerWaalsContact O-N 3.1Å
197P67.1Low78.5Confident86 Ų8658.9 Ų58.956%0.55833%0.333SS*.  trans-71.1105.9-179.326.1-31.6000110.6
198V76.4Confident78.8Confident73 Ų7358.9 Ų58.944%0.44233%0.332SS..EExtended strand (participates in β ladder)trans-101.2129177.3179.20000109.3V192 I196V192-V198 PolarHBondContact N-O 2.92Å; I196-V198 PolarHBondContact O-N 3.27Å; I196-V198 VanDerWaalsContact O-N 3.1Å
199V82Confident78.6Confident51 Ų5161.5 Ų61.531%0.30935%0.346SS..EExtended strand (participates in β ladder)trans-93115.8172.3-177.30000108.4N189 K191N189-V199 HydrophobicContact CB-CG1 4.42Å; K191-V199 HydrophobicContact CB-CG2 4.37Å; K191-V199 HydrophobicContact CG-CG2 4.24Å
200V77.8Confident78.6Confident56 Ų5663 Ų6334%0.33935%0.35SS..EExtended strand (participates in β ladder)trans-92.4115.3174.6-172.90000107.6N189 V190 V192 V203N189-V200 CarbonylContact C-O 3.25Å; N189-V200 WeakPolarHBondContact CA-O 3.28Å; V190-V200 PolarHBondContact N-O 3.49Å; V190-V200 PolarHBondContact O-N 3.48Å; V192-V200 HydrophobicContact CG2-CG2 3.63Å; V200-V203 HydrophobicContact CB-CG2 3.89Å; V200-V203 HydrophobicContact CG1-CG2 3.45Å; V200-V203 VanDerWaalsContact CG1-CG2 3.45Å
201H83.1Confident78.5Confident126 Ų12666 Ų6658%0.58337%0.366SS*.EExtended strand (participates in β ladder)trans-84.8153.6-179.7-67.2-71.3000111.8N189 V203N189-H201 VanDerWaalsContact CG-ND1 3.29Å; N189-H201 WeakPolarHBondContact OD1-CA 3.48Å; N189-H201 PolarHBondContact OD1-ND1 3.14Å; H201-V203 VanDerWaalsContact C-N 3.32Å; H201-V203 PolarHBondContact O-N 3.38Å
202D79.7Confident78.3Confident66 Ų6665.9 Ų65.935%0.35337%0.369SS..EExtended strand (participates in β ladder)trans56.436.7170.5-154.634000115.4I152 A187 N189 P204I152-D202 HydrophobicContact CD1-CB 4.08Å; A187-D202 WeakPolarHBondContact CB-OD1 3.32Å; N189-D202 PolarHBondContact OD1-N 2.91Å; D202-P204 VanDerWaalsContact O-CD 3.23Å; D202-P204 WeakPolarHBondContact O-CD 3.06Å
203V80.7Confident78.3Confident14 Ų1476.5 Ų76.59%0.08541%0.408CS..EExtended strand (participates in β ladder)trans-72.7118.2178.9-174.90000109.8L134 A187 Y188 V190 V200 H201 I208L134-V203 HydrophobicContact CD2-CG1 3.88Å; A187-V203 WeakPolarHBondContact CA-O 3.47Å; Y188-V203 PolarHBondContact N-O 2.77Å; Y188-V203 WeakPolarHBondContact O-CB 3.34Å; Y188-V203 PolarHBondContact O-N 3.36Å; V190-V203 HydrophobicContact CB-CG2 4.27Å; V190-V203 HydrophobicContact CG2-CB 3.96Å; V190-V203 HydrophobicContact CG2-CG1 4.43Å; V190-V203 HydrophobicContact CG2-CG2 3.87Å; V200-V203 HydrophobicContact CB-CG2 3.89Å; V200-V203 HydrophobicContact CG1-CG2 3.45Å; V200-V203 VanDerWaalsContact CG1-CG2 3.45Å; H201-V203 VanDerWaalsContact C-N 3.32Å; H201-V203 PolarHBondContact O-N 3.38Å; V203-I208 HydrophobicContact CB-CD1 4.19Å; V203-I208 HydrophobicContact CG1-CD1 3.84Å; V203-I208 HydrophobicContact CG1-CG1 3.67Å
204P81.7Confident78.8Confident51 Ų5172 Ų7233%0.33139%0.386SS..EExtended strand (participates in β ladder)trans-65.3142.9179.2-20.433.2000111.8D202 C206 S207D202-P204 VanDerWaalsContact O-CD 3.23Å; D202-P204 WeakPolarHBondContact O-CD 3.06Å; P204-C206 PolarHBondContact O-N 3.35Å; P204-S207 PolarHBondContact O-N 3Å
205A80.1Confident79.7Confident3 Ų369.4 Ų69.43%0.02537%0.368CS..G310 helixtrans-54.6-28.2-178.700000114.9F126 I182 K183 Y186 Y188 S207 I208F126-A205 HydrophobicContact CE2-CB 4.35Å; I182-A205 HydrophobicContact CG2-CB 4.32Å; K183-A205 VanDerWaalsContact O-CB 3.31Å; K183-A205 WeakPolarHBondContact O-CB 3.34Å; Y186-A205 WeakPolarHBondContact O-CB 3.28Å; Y186-A205 PolarHBondContact O-N 2.92Å; Y188-A205 HydrophobicContact CE2-CB 3.96Å; A205-S207 VanDerWaalsContact C-N 3.25Å; A205-S207 PolarHBondContact O-N 3.44Å; A205-I208 PolarHBondContact O-N 3.47Å
206C78.9Confident80.7Confident74 Ų7463.2 Ų63.250%0.534%0.339SS..G310 helixtrans-69.1-22.3178.953.30000113.8K135 P204 I208K135-C206 PolarHBondContact NZ-O 3.06Å; P204-C206 PolarHBondContact O-N 3.35Å; C206-I208 VanDerWaalsContact C-N 3.33Å
207S80.9Confident81.9Confident41 Ų4161.4 Ų61.429%0.28733%0.326SS..G310 helixtrans-89.62.5179-54.40000113L134 K135 P204 A205L134-S207 WeakPolarHBondContact CA-O 3.04Å; K135-S207 PolarHBondContact N-O 3.5Å; P204-S207 PolarHBondContact O-N 3Å; A205-S207 VanDerWaalsContact C-N 3.25Å; A205-S207 PolarHBondContact O-N 3.44Å
208I84.1Confident83.1Confident1 Ų162 Ų621%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-118128.7-174.9-51.4179.2000109.9F126 V132 L134 I148 Y188 V190 V203 A205 C206F126-I208 HydrophobicContact CD1-CG2 4.12Å; F126-I208 HydrophobicContact CD2-CG2 4.44Å; F126-I208 HydrophobicContact CE1-CB 4.37Å; F126-I208 HydrophobicContact CE1-CG2 3.69Å; F126-I208 HydrophobicContact CE2-CB 3.96Å; F126-I208 HydrophobicContact CE2-CG2 4.06Å; F126-I208 HydrophobicContact CG-CG2 4.47Å; F126-I208 HydrophobicContact CZ-CB 3.84Å; F126-I208 HydrophobicContact CZ-CG2 3.67Å; F126-I208 WeakPolarHBondContact CZ-O 3.35Å; V132-I208 HydrophobicContact CB-CG2 3.48Å; V132-I208 VanDerWaalsContact CB-CG2 3.48Å; V132-I208 HydrophobicContact CG1-CG2 3.66Å; V132-I208 HydrophobicContact CG2-CG2 3.82Å; L134-I208 HydrophobicContact CD2-CG1 3.91Å; I148-I208 HydrophobicContact CD1-CD1 4.25Å; Y188-I208 HydrophobicContact CD2-CD1 3.7Å; Y188-I208 HydrophobicContact CG-CD1 4.17Å; V190-I208 HydrophobicContact CG2-CD1 4.04Å; V203-I208 HydrophobicContact CB-CD1 4.19Å; V203-I208 HydrophobicContact CG1-CD1 3.84Å; V203-I208 HydrophobicContact CG1-CG1 3.67Å; A205-I208 PolarHBondContact O-N 3.47Å; C206-I208 VanDerWaalsContact C-N 3.33Å
209D82.6Confident83.8Confident56 Ų5661 Ų6130%0.29932%0.315SS..EExtended strand (participates in β ladder)trans-114.6144.2172.4-71.2-31.9000111.2V132 K133 K135V132-D209 CarbonylContact C-O 3.47Å; V132-D209 WeakPolarHBondContact CA-O 3.43Å; K133-D209 HydrophobicContact CB-CB 4.45Å; K133-D209 PolarHBondContact N-O 3.49Å; K133-D209 PolarHBondContact O-N 3.43Å; K135-D209 WeakPolarHBondContact CE-OD1 3.16Å; K135-D209 WeakPolarHBondContact CE-OD2 3.34Å; K135-D209 IonicContact NZ-OD1 3.42Å; K135-D209 PolarHBondContact NZ-OD1 3Å; K135-D209 VanDerWaalsContact NZ-OD1 3.08Å; K135-D209 IonicContact NZ-OD2 3.32Å
210R85.2Confident84.4Confident53 Ų5358.5 Ų58.520%0.230%0.3CS..EExtended strand (participates in β ladder)trans-76.1130.9173.6-66.6-172.7-169.1-156.95.2111.1I122 Q125 F126 E130I122-R210 PolarHBondContact O-NH1 3.35Å; I122-R210 PolarHBondContact O-NH2 3.23Å; Q125-R210 PolarHBondContact O-NH2 3.35Å; F126-R210 HydrophobicContact CD1-CG 4.06Å; F126-R210 HydrophobicContact CE1-CG 3.49Å; F126-R210 VanDerWaalsContact CE1-CG 3.49Å; F126-R210 HydrophobicContact CZ-CG 4.46Å; E130-R210 VanDerWaalsContact OE1-CD 3.24Å; E130-R210 WeakPolarHBondContact OE1-CD 3.4Å; E130-R210 IonicContact OE1-CZ 2.77Å; E130-R210 IonicContact OE1-NE 3.88Å; E130-R210 PolarHBondContact OE1-NE 3.19Å; E130-R210 IonicContact OE1-NH1 2.84Å; E130-R210 PolarHBondContact OE1-NH1 3.21Å
211I81.7Confident85.2Confident64 Ų6457.3 Ų57.333%0.32829%0.29SS..SBendtrans-73.5-42.3172.4-63.8173.3000110.4P131 V132 K133 R145P131-I211 HydrophobicContact CB-CD1 4.24Å; V132-I211 WeakPolarHBondContact O-CD1 3.41Å; K133-I211 HydrophobicContact CB-CG1 4.13Å; R145-I211 HydrophobicContact CG-CD1 4.26Å
212N81.4Confident85.7Confident83 Ų8352.8 Ų52.844%0.44427%0.27SS..SBendtrans-104.3143-175.2-66.9-36.7000111.6A214N212-A214 PolarHBondContact O-N 3.03Å
213R81.5Confident86.4Confident236 Ų23649.9 Ų49.989%0.89125%0.254SS*.PPolyproline II helixtrans-67130.7174.7-172.1177178.8178.6-0.3110.4
214A85.3Confident87Confident14 Ų1449.2 Ų49.212%0.11625%0.25CC..PPolyproline II helixtrans-61.9149.5174.700000112.1I122 N212I122-A214 HydrophobicContact CG2-CB 4.18Å; N212-A214 PolarHBondContact O-N 3.03Å
215P86.9Confident87.5Confident5 Ų549.9 Ų49.93%0.03225%0.246CC..PPolyproline II helixtrans-63.5143179.625-33.4000112F92 F96 I122 H219 I220F92-P215 HydrophobicContact CD2-CB 4.18Å; F92-P215 HydrophobicContact CE2-CB 4.26Å; F92-P215 HydrophobicContact CE2-CG 4.39Å; F96-P215 HydrophobicContact CD2-CG 3.91Å; F96-P215 VanDerWaalsContact CE2-CD 3.43Å; F96-P215 HydrophobicContact CE2-CG 4.21Å; I122-P215 HydrophobicContact CD1-CG 4.35Å; P215-H219 HydrophobicContact CB-CB 4.07Å; P215-I220 HydrophobicContact CB-CG1 4.4Å; P215-I220 HydrophobicContact CG-CG1 4.34Å
216S90.2Very high87.9Confident47 Ų4750.8 Ų50.833%0.32925%0.252SS..PPolyproline II helixtrans-69161.4176.166.50000111.8D218 H219 I220S216-D218 PolarHBondContact O-N 3.29Å; S216-H219 PolarHBondContact O-N 3.5Å; S216-H219 PolarHBondContact OG-N 2.93Å; S216-H219 PolarHBondContact OG-ND1 2.9Å; S216-I220 WeakPolarHBondContact O-CG1 3.23Å; S216-I220 PolarHBondContact O-N 2.93Å
217K92.7Very high88.5Confident89 Ų8949.9 Ų49.939%0.38724%0.24SC..Hα-helixtrans-53-36.3172.6-71-175-179-179.30112V115 H116 W119 I220 K221V115-K217 HydrophobicContact CG1-CB 3.87Å; V115-K217 HydrophobicContact CG1-CG 4.29Å; V115-K217 VanDerWaalsContact CG1-O 3.29Å; V115-K217 WeakPolarHBondContact CG1-O 3.39Å; H116-K217 PolarHBondContact ND1-NZ 2.89Å; W119-K217 HydrophobicContact CB-CG 4.05Å; W119-K217 HydrophobicContact CD2-CG 4.22Å; W119-K217 HydrophobicContact CG-CD 4.45Å; W119-K217 HydrophobicContact CG-CG 3.66Å; K217-I220 PolarHBondContact O-N 3.18Å; K217-K221 VanDerWaalsContact O-CB 3.31Å; K217-K221 WeakPolarHBondContact O-CB 3.3Å; K217-K221 PolarHBondContact O-N 3.23Å
218D91.6Very high88.9Confident98 Ų9848 Ų4852%0.52423%0.228SC..Hα-helixtrans-69.9-39.3177.2-67.9-34.1000113.1S216 I220 K221 M222S216-D218 PolarHBondContact O-N 3.29Å; D218-I220 VanDerWaalsContact C-N 3.33Å; D218-I220 PolarHBondContact O-N 3.06Å; D218-K221 WeakPolarHBondContact O-CB 3.21Å; D218-K221 PolarHBondContact O-N 3.5Å; D218-M222 WeakPolarHBondContact O-CB 3.17Å; D218-M222 VanDerWaalsContact O-CG 3.31Å; D218-M222 WeakPolarHBondContact O-CG 3.46Å; D218-M222 PolarHBondContact O-N 2.71Å
219H92.6Very high88.8Confident52 Ų5249.9 Ų49.924%0.24124%0.237CC..Hα-helixtrans-63.3-41.2173.5-65.8154.4000111.4L88 F92 P215 S216 M222 F223L88-H219 WeakPolarHBondContact CD2-O 3.4Å; F92-H219 HydrophobicContact CD2-CB 4.32Å; P215-H219 HydrophobicContact CB-CB 4.07Å; S216-H219 PolarHBondContact O-N 3.5Å; S216-H219 PolarHBondContact OG-N 2.93Å; S216-H219 PolarHBondContact OG-ND1 2.9Å; H219-M222 PolarHBondContact O-N 3.47Å; H219-F223 WeakPolarHBondContact O-CB 3.34Å; H219-F223 PolarHBondContact O-N 3.25Å
220I94.1Very high88.8Confident0 Ų049.3 Ų49.30%023%0.23CC..Hα-helixtrans-62.7-45.9174.6-63.2166.7000110.3F92 V115 C118 W119 I122 P215 S216 K217 D218 M222 F223 I224F92-I220 HydrophobicContact CE2-CG1 4.39Å; V115-I220 HydrophobicContact CG1-CB 4.39Å; V115-I220 HydrophobicContact CG1-CG2 4.27Å; V115-I220 HydrophobicContact CG2-CG2 4.43Å; C118-I220 HydrophobicContact CB-CG2 3.82Å; W119-I220 HydrophobicContact CB-CD1 3.74Å; W119-I220 HydrophobicContact CG-CD1 4.23Å; I122-I220 HydrophobicContact CD1-CD1 3.62Å; I122-I220 HydrophobicContact CD1-CG1 4.13Å; P215-I220 HydrophobicContact CB-CG1 4.4Å; P215-I220 HydrophobicContact CG-CG1 4.34Å; S216-I220 WeakPolarHBondContact O-CG1 3.23Å; S216-I220 PolarHBondContact O-N 2.93Å; K217-I220 PolarHBondContact O-N 3.18Å; D218-I220 VanDerWaalsContact C-N 3.33Å; D218-I220 PolarHBondContact O-N 3.06Å; I220-M222 PolarHBondContact O-N 3Å; I220-F223 WeakPolarHBondContact O-CB 3.26Å; I220-F223 PolarHBondContact O-N 3.01Å; I220-I224 HydrophobicContact CG2-CD1 3.97Å; I220-I224 HydrophobicContact CG2-CG1 4.46Å; I220-I224 WeakPolarHBondContact O-CG1 3.36Å; I220-I224 PolarHBondContact O-N 2.95Å
221K94.9Very high88.1Confident31 Ų3148.8 Ų48.814%0.13523%0.229CC..Hα-helixtrans-58.5-45.6177-171.2-179.9-57.1-172.70112.3L111 E112 V115 K217 D218 R225L111-K221 HydrophobicContact CD1-CG 4.46Å; L111-K221 HydrophobicContact CD2-CD 4.45Å; L111-K221 HydrophobicContact CD2-CG 3.94Å; L111-K221 HydrophobicContact CG-CG 4.24Å; E112-K221 WeakPolarHBondContact OE1-CE 3.42Å; E112-K221 IonicContact OE1-NZ 3.77Å; E112-K221 PolarHBondContact OE1-NZ 2.8Å; E112-K221 VanDerWaalsContact OE2-CE 3.23Å; E112-K221 WeakPolarHBondContact OE2-CE 3.25Å; E112-K221 IonicContact OE2-NZ 2.73Å; E112-K221 PolarHBondContact OE2-NZ 3.14Å; V115-K221 HydrophobicContact CG1-CB 4.46Å; V115-K221 HydrophobicContact CG2-CB 3.73Å; V115-K221 HydrophobicContact CG2-CG 4.07Å; K217-K221 VanDerWaalsContact O-CB 3.31Å; K217-K221 WeakPolarHBondContact O-CB 3.3Å; K217-K221 PolarHBondContact O-N 3.23Å; D218-K221 WeakPolarHBondContact O-CB 3.21Å; D218-K221 PolarHBondContact O-N 3.5Å; K221-R225 WeakPolarHBondContact O-CG 3.47Å; K221-R225 PolarHBondContact O-N 3.35Å; K221-R225 VanDerWaalsContact O-N 3.11Å
222M93.4Very high87.2Confident31 Ų3147 Ų4715%0.15323%0.226CC..Hα-helixtrans-63.1-43.3175.7-75.6175.150.700111.5V66 A84 L88 D218 H219 I220 R225 S226V66-M222 HydrophobicContact CG1-CB 4.04Å; V66-M222 HydrophobicContact CG1-CE 4.31Å; V66-M222 HydrophobicContact CG1-CG 4.31Å; A84-M222 HydrophobicContact CB-CE 3.82Å; L88-M222 HydrophobicContact CD1-CB 4.03Å; L88-M222 HydrophobicContact CD2-CB 3.81Å; L88-M222 HydrophobicContact CD2-CE 4.4Å; L88-M222 HydrophobicContact CG-CB 4.14Å; L88-M222 HydrophobicContact CG-CE 4.04Å; D218-M222 WeakPolarHBondContact O-CB 3.17Å; D218-M222 VanDerWaalsContact O-CG 3.31Å; D218-M222 WeakPolarHBondContact O-CG 3.46Å; D218-M222 PolarHBondContact O-N 2.71Å; H219-M222 PolarHBondContact O-N 3.47Å; I220-M222 PolarHBondContact O-N 3Å; M222-R225 PolarHBondContact O-N 3.19Å; M222-S226 PolarHBondContact O-N 3.49Å; M222-S226 PolarHBondContact O-OG 2.81Å
223F94.3Very high85.8Confident4 Ų446.9 Ų46.92%0.01823%0.23CC..Hα-helixtrans-62.4-43.7177.9-179.2-94.9000112.5L88 F92 E97 I100 L101 H219 I220 R225 S226 H227L88-F223 HydrophobicContact CD2-CB 4.09Å; F92-F223 AromaticContact CD1-CD2 3.63Å; F92-F223 HydrophobicContact CD1-CD2 3.63Å; F92-F223 AromaticContact CD1-CE2 3.82Å; F92-F223 HydrophobicContact CD1-CE2 3.82Å; F92-F223 HydrophobicContact CD1-CG 4.26Å; F92-F223 HydrophobicContact CD2-CB 4.06Å; F92-F223 HydrophobicContact CD2-CD2 4.25Å; F92-F223 HydrophobicContact CD2-CG 4.3Å; F92-F223 HydrophobicContact CE1-CB 4.42Å; F92-F223 AromaticContact CE1-CD1 3.99Å; F92-F223 HydrophobicContact CE1-CD1 3.99Å; F92-F223 AromaticContact CE1-CD2 3.4Å; F92-F223 HydrophobicContact CE1-CD2 3.4Å; F92-F223 HydrophobicContact CE1-CE1 4.06Å; F92-F223 AromaticContact CE1-CE2 3.5Å; F92-F223 HydrophobicContact CE1-CE2 3.5Å; F92-F223 VanDerWaalsContact CE1-CE2 3.5Å; F92-F223 AromaticContact CE1-CG 3.67Å; F92-F223 HydrophobicContact CE1-CG 3.67Å; F92-F223 AromaticContact CE1-CZ 3.84Å; F92-F223 HydrophobicContact CE1-CZ 3.84Å; F92-F223 HydrophobicContact CE2-CB 3.56Å; F92-F223 HydrophobicContact CE2-CD1 4.3Å; F92-F223 HydrophobicContact CE2-CD2 4.06Å; F92-F223 AromaticContact CE2-CG 3.72Å; F92-F223 HydrophobicContact CE2-CG 3.72Å; F92-F223 HydrophobicContact CG-CD2 4.01Å; F92-F223 HydrophobicContact CG-CG 4.5Å; F92-F223 HydrophobicContact CZ-CB 3.71Å; F92-F223 AromaticContact CZ-CD1 3.56Å; F92-F223 HydrophobicContact CZ-CD1 3.56Å; F92-F223 AromaticContact CZ-CD2 3.57Å; F92-F223 HydrophobicContact CZ-CD2 3.57Å; F92-F223 HydrophobicContact CZ-CE1 4.04Å; F92-F223 HydrophobicContact CZ-CE2 4.05Å; F92-F223 AromaticContact CZ-CG 3.31Å; F92-F223 HydrophobicContact CZ-CG 3.31Å; F92-F223 HydrophobicContact CZ-CZ 4.27Å; E97-F223 HydrophobicContact CB-CZ 3.92Å; E97-F223 HydrophobicContact CG-CE2 3.78Å; E97-F223 HydrophobicContact CG-CZ 3.68Å; I100-F223 HydrophobicContact CB-CE1 4.29Å; I100-F223 HydrophobicContact CG2-CD1 3.84Å; I100-F223 HydrophobicContact CG2-CE1 3.92Å; L101-F223 HydrophobicContact CD1-CZ 4.42Å; L101-F223 HydrophobicContact CD2-CE1 3.75Å; L101-F223 HydrophobicContact CD2-CZ 4.14Å; L101-F223 HydrophobicContact CG-CE1 3.98Å; L101-F223 HydrophobicContact CG-CZ 4.17Å; H219-F223 WeakPolarHBondContact O-CB 3.34Å; H219-F223 PolarHBondContact O-N 3.25Å; I220-F223 WeakPolarHBondContact O-CB 3.26Å; I220-F223 PolarHBondContact O-N 3.01Å; F223-R225 PolarHBondContact O-N 3.24Å; F223-S226 PolarHBondContact O-N 2.81Å; F223-S226 PolarHBondContact O-OG 3.45Å; F223-H227 AromaticContact CD2-CD2 3.47Å; F223-H227 VanDerWaalsContact CD2-CD2 3.47Å; F223-H227 WeakPolarHBondContact CD2-CD2 3.41Å; F223-H227 AromaticContact CD2-NE2 3.89Å; F223-H227 AromaticContact CE2-CD2 3.34Å; F223-H227 WeakPolarHBondContact CE2-CD2 3.22Å; F223-H227 AromaticContact CE2-NE2 3.74Å; F223-H227 AromaticContact CG-CD2 3.99Å; F223-H227 AromaticContact CZ-CD2 3.77Å; F223-H227 PolarHBondContact O-CD2 2.88Å; F223-H227 VanDerWaalsContact O-CD2 3.3Å; F223-H227 PolarHBondContact O-N 2.78Å; F223-H227 VanDerWaalsContact O-N 3.14Å
224I93.7Very high84.5Confident1 Ų142.7 Ų42.71%0.00523%0.225CC..Hα-helixtrans-61.1-47.3175.5-66.7172.6000110.2I100 V104 L111 L114 V115 I220 S226 H227 A228 W239I100-I224 HydrophobicContact CG2-CG1 4.32Å; V104-I224 HydrophobicContact CG1-CG2 4.15Å; V104-I224 HydrophobicContact CG2-CD1 3.79Å; V104-I224 HydrophobicContact CG2-CG1 3.69Å; V104-I224 HydrophobicContact CG2-CG2 4.45Å; L111-I224 HydrophobicContact CD1-CB 4.23Å; L111-I224 HydrophobicContact CD1-CD1 4.43Å; L111-I224 HydrophobicContact CD1-CG2 3.8Å; L114-I224 HydrophobicContact CD2-CD1 4.47Å; L114-I224 HydrophobicContact CG-CD1 4.22Å; V115-I224 HydrophobicContact CG2-CD1 3.88Å; I220-I224 HydrophobicContact CG2-CD1 3.97Å; I220-I224 HydrophobicContact CG2-CG1 4.46Å; I220-I224 WeakPolarHBondContact O-CG1 3.36Å; I220-I224 PolarHBondContact O-N 2.95Å; I224-S226 VanDerWaalsContact C-N 3.31Å; I224-S226 PolarHBondContact O-N 3.22Å; I224-H227 PolarHBondContact O-N 2.83Å; I224-A228 HydrophobicContact CG2-CB 4.36Å; I224-A228 WeakPolarHBondContact O-CA 3.46Å; I224-A228 WeakPolarHBondContact O-CB 3.26Å; I224-A228 PolarHBondContact O-N 2.69Å; I224-W239 HydrophobicContact CG2-CD2 4.5Å; I224-W239 HydrophobicContact CG2-CE3 3.9Å; I224-W239 HydrophobicContact CG2-CH2 4.18Å; I224-W239 HydrophobicContact CG2-CZ3 3.71Å
225R91.2Very high83.4Confident65 Ų6545.5 Ų45.525%0.24524%0.235CC..Hα-helixtrans-65.9-29.7-179.1-76.2178.1172.7151.40.1113.8R65 V66 T67 L111 K221 M222 F223R65-R225 PolarHBondContact NE-O 2.96Å; R65-R225 VanDerWaalsContact NE-O 3.09Å; R65-R225 WeakPolarHBondContact O-CB 3.44Å; R65-R225 WeakPolarHBondContact O-CD 3.46Å; V66-R225 WeakPolarHBondContact O-CD 3.4Å; T67-R225 PolarHBondContact O-NH1 2.67Å; L111-R225 HydrophobicContact CD2-CG 4.18Å; K221-R225 WeakPolarHBondContact O-CG 3.47Å; K221-R225 PolarHBondContact O-N 3.35Å; K221-R225 VanDerWaalsContact O-N 3.11Å; M222-R225 PolarHBondContact O-N 3.19Å; F223-R225 PolarHBondContact O-N 3.24Å
226S90Very high82.2Confident22 Ų2249.6 Ų49.615%0.15426%0.26CS..Hα-helixtrans-77.9-29.6177.262.20000113.4M222 F223 I224M222-S226 PolarHBondContact O-N 3.49Å; M222-S226 PolarHBondContact O-OG 2.81Å; F223-S226 PolarHBondContact O-N 2.81Å; F223-S226 PolarHBondContact O-OG 3.45Å; I224-S226 VanDerWaalsContact C-N 3.31Å; I224-S226 PolarHBondContact O-N 3.22Å
227H89.7Confident81.3Confident54 Ų5448 Ų4825%0.2525%0.251CS..Hα-helixtrans-115.4-14.8-170.7-64.2-54000115.4L101 F223 I224 N242 L245L101-H227 HydrophobicContact CD2-CB 4.19Å; F223-H227 AromaticContact CD2-CD2 3.47Å; F223-H227 VanDerWaalsContact CD2-CD2 3.47Å; F223-H227 WeakPolarHBondContact CD2-CD2 3.41Å; F223-H227 AromaticContact CD2-NE2 3.89Å; F223-H227 AromaticContact CE2-CD2 3.34Å; F223-H227 WeakPolarHBondContact CE2-CD2 3.22Å; F223-H227 AromaticContact CE2-NE2 3.74Å; F223-H227 AromaticContact CG-CD2 3.99Å; F223-H227 AromaticContact CZ-CD2 3.77Å; F223-H227 PolarHBondContact O-CD2 2.88Å; F223-H227 VanDerWaalsContact O-CD2 3.3Å; F223-H227 PolarHBondContact O-N 2.78Å; F223-H227 VanDerWaalsContact O-N 3.14Å; I224-H227 PolarHBondContact O-N 2.83Å; H227-N242 PolarHBondContact O-N 2.94Å; H227-L245 HydrophobicContact CB-CD1 3.61Å; H227-L245 VanDerWaalsContact ND1-CD1 3.29Å; H227-L245 WeakPolarHBondContact ND1-CD1 3.41Å
228A90Very high80.8Confident3 Ų345.4 Ų45.43%0.02524%0.243CC..EExtended strand (participates in β ladder)trans-123.4161.8177.100000112.3R65 V104 I224 W239 I240 V241R65-A228 PolarHBondContact NH2-O 2.75Å; V104-A228 HydrophobicContact CG1-CB 3.6Å; I224-A228 HydrophobicContact CG2-CB 4.36Å; I224-A228 WeakPolarHBondContact O-CA 3.46Å; I224-A228 WeakPolarHBondContact O-CB 3.26Å; I224-A228 PolarHBondContact O-N 2.69Å; A228-W239 HydrophobicContact CB-CE3 3.93Å; A228-I240 CarbonylContact C-O 3.49Å; A228-I240 WeakPolarHBondContact CA-O 3.34Å; A228-V241 HydrophobicContact CB-CG2 4.17Å
229M82.3Confident80.7Confident40 Ų4041.8 Ų41.820%0.19722%0.222CC..EExtended strand (participates in β ladder)trans-140.1146.3176.164.6-173.6-62.100111M1 L8 I240M1-M229 HydrophobicContact SD-CE 4.39Å; L8-M229 HydrophobicContact CD2-CE 3.48Å; L8-M229 VanDerWaalsContact CD2-CE 3.48Å; M229-I240 HydrophobicContact CG-CB 4.42Å; M229-I240 PolarHBondContact N-O 3.03Å; M229-I240 PolarHBondContact O-N 3.24Å
230R82.6Confident80.3Confident43 Ų4340.6 Ų40.616%0.16222%0.217CC..EExtended strand (participates in β ladder)trans-119.5123.6176.7-161.5178.1-168-137-8.2108.9T108 F235 T236 G237 W239T108-R230 PolarHBondContact O-NH2 3.38Å; R230-F235 WeakPolarHBondContact CD-O 3.44Å; R230-F235 WeakPolarHBondContact CG-O 3.43Å; R230-F235 PolarHBondContact NE-O 3.17Å; R230-F235 PolarHBondContact NH1-O 2.98Å; R230-F235 PolarHBondContact NH2-O 3.13Å; R230-T236 PolarHBondContact NH2-O 3.02Å; R230-G237 VanDerWaalsContact CG-O 3.25Å; R230-G237 WeakPolarHBondContact CG-O 3.49Å; R230-G237 VanDerWaalsContact CZ-O 3.26Å; R230-G237 PolarHBondContact NE-O 3.18Å; R230-G237 PolarHBondContact NH2-O 3.37Å; R230-G237 VanDerWaalsContact NH2-O 3.11Å; R230-W239 HydrophobicContact CB-CD2 4.08Å; R230-W239 HydrophobicContact CB-CE3 4.15Å; R230-W239 HydrophobicContact CB-CZ2 4.47Å; R230-W239 HydrophobicContact CB-CZ3 4.37Å; R230-W239 HydrophobicContact CG-CD2 4.45Å
231Y69.4Low80Confident42 Ų4240.7 Ų40.717%0.16522%0.218CC..  trans-131.7148.9179.571.2-73.7000110.2G237 I240 C258 Q259 V260Y231-G237 WeakPolarHBondContact O-CA 3.12Å; Y231-I240 HydrophobicContact CD1-CD1 4.48Å; Y231-I240 HydrophobicContact CE1-CD1 3.4Å; Y231-I240 HydrophobicContact CE1-CG1 3.88Å; Y231-C258 PolarHBondContact OH-O 2.95Å; Y231-Q259 VanDerWaalsContact OH-C 3.25Å; Y231-Q259 PolarHBondContact OH-O 3.47Å; Y231-V260 HydrophobicContact CD1-CG1 4.48Å; Y231-V260 HydrophobicContact CD1-CG2 4.05Å; Y231-V260 HydrophobicContact CD2-CG1 4.1Å; Y231-V260 HydrophobicContact CE1-CB 4.34Å; Y231-V260 HydrophobicContact CE1-CG1 4.49Å; Y231-V260 HydrophobicContact CE1-CG2 3.56Å; Y231-V260 HydrophobicContact CE2-CB 4.21Å; Y231-V260 HydrophobicContact CE2-CG1 4.06Å; Y231-V260 HydrophobicContact CE2-CG2 4.31Å; Y231-V260 HydrophobicContact CG-CG1 4.31Å; Y231-V260 WeakPolarHBondContact OH-CA 3.45Å; Y231-V260 PolarHBondContact OH-N 2.91Å
232G62.8Low79.5Confident26 Ų2643.6 Ų43.627%0.26824%0.235SC..SBendtrans146.9158.3-174.500000111N234 F235G232-N234 PolarHBondContact O-N 3.42Å; G232-N234 VanDerWaalsContact O-N 3.15Å; G232-F235 PolarHBondContact O-N 2.86Å
233P52.5Low78.9Confident82 Ų8249 Ų4953%0.53226%0.26SS..G310 helixtrans-56.1122.4174.322.3-28.9000109F235 T236P233-F235 VanDerWaalsContact C-N 3.28Å; P233-F235 PolarHBondContact O-N 2.9Å; P233-T236 PolarHBondContact O-N 3.11Å; P233-T236 PolarHBondContact O-OG1 2.87Å
234N54.5Low78.4Confident148 Ų14852.2 Ų52.279%0.79128%0.275SS*.G310 helixtrans60.729-175.5-52.3-27000115.3G232 T236G232-N234 PolarHBondContact O-N 3.42Å; G232-N234 VanDerWaalsContact O-N 3.15Å; N234-T236 HydrophobicContact CB-CG2 4.41Å; N234-T236 PolarHBondContact O-N 3.24Å
235F61.7Low77.9Confident72 Ų7252.8 Ų52.832%0.31628%0.278SS..G310 helixtrans62.716.1-179.5-53-87.2000114.3T6 K7 R230 G232 P233 G237T6-F235 WeakPolarHBondContact O-CE1 3.44Å; T6-F235 WeakPolarHBondContact O-CZ 3.33Å; K7-F235 HydrophobicContact CB-CZ 4.41Å; K7-F235 HydrophobicContact CG-CE2 4.29Å; K7-F235 HydrophobicContact CG-CZ 3.7Å; R230-F235 WeakPolarHBondContact CD-O 3.44Å; R230-F235 WeakPolarHBondContact CG-O 3.43Å; R230-F235 PolarHBondContact NE-O 3.17Å; R230-F235 PolarHBondContact NH1-O 2.98Å; R230-F235 PolarHBondContact NH2-O 3.13Å; G232-F235 PolarHBondContact O-N 2.86Å; P233-F235 VanDerWaalsContact C-N 3.28Å; P233-F235 PolarHBondContact O-N 2.9Å; F235-G237 VanDerWaalsContact C-N 3.29Å; F235-G237 PolarHBondContact O-N 3.35Å
236T62.6Low77.5Confident92 Ų9250 Ų5056%0.56427%0.268SS*.  trans-74.9-10.4-174.156.30000115.4R230 P233 N234R230-T236 PolarHBondContact NH2-O 3.02Å; P233-T236 PolarHBondContact O-N 3.11Å; P233-T236 PolarHBondContact O-OG1 2.87Å; N234-T236 HydrophobicContact CB-CG2 4.41Å; N234-T236 PolarHBondContact O-N 3.24Å
237G70.4Confident77.1Confident14 Ų1457 Ų5714%0.14429%0.291CS..SBendtrans-68.9173.4-179.100000114.1R230 Y231 F235R230-G237 VanDerWaalsContact CG-O 3.25Å; R230-G237 WeakPolarHBondContact CG-O 3.49Å; R230-G237 VanDerWaalsContact CZ-O 3.26Å; R230-G237 PolarHBondContact NE-O 3.18Å; R230-G237 PolarHBondContact NH2-O 3.37Å; R230-G237 VanDerWaalsContact NH2-O 3.11Å; Y231-G237 WeakPolarHBondContact O-CA 3.12Å; F235-G237 VanDerWaalsContact C-N 3.29Å; F235-G237 PolarHBondContact O-N 3.35Å
238P83.5Confident76.8Confident34 Ų3461.5 Ų61.522%0.22131%0.306CS..PPolyproline II helixtrans-70.4157.717827.7-33.4000112.7S107 T108 C258S107-P238 CarbonylContact O-C 3.51Å; S107-P238 WeakPolarHBondContact O-CA 3.17Å; T108-P238 HydrophobicContact CG2-CB 4.48Å; P238-C258 VanDerWaalsContact CG-SG 3.52Å
239W87.8Confident76.6Confident22 Ų2263 Ų638%0.08331%0.312CS..EExtended strand (participates in β ladder)trans-75122.3169.3-73.593.7000110.4V104 L106 S107 L109 L111 L114 I224 A228 R230V104-W239 HydrophobicContact CG1-CB 4.05Å; V104-W239 VanDerWaalsContact O-CB 3.22Å; V104-W239 WeakPolarHBondContact O-CB 3.44Å; L106-W239 PolarHBondContact N-O 3.5Å; S107-W239 PolarHBondContact O-N 3.07Å; L109-W239 PolarHBondContact O-NE1 3.05Å; L111-W239 HydrophobicContact CB-CH2 4.17Å; L111-W239 HydrophobicContact CB-CZ2 3.76Å; L111-W239 HydrophobicContact CD1-CH2 3.69Å; L111-W239 HydrophobicContact CD1-CZ2 3.85Å; L111-W239 HydrophobicContact CD2-CH2 4.5Å; L111-W239 HydrophobicContact CG-CH2 4.32Å; L111-W239 HydrophobicContact CG-CZ2 4.32Å; L114-W239 HydrophobicContact CD2-CD2 4.09Å; L114-W239 HydrophobicContact CD2-CG 3.87Å; I224-W239 HydrophobicContact CG2-CD2 4.5Å; I224-W239 HydrophobicContact CG2-CE3 3.9Å; I224-W239 HydrophobicContact CG2-CH2 4.18Å; I224-W239 HydrophobicContact CG2-CZ3 3.71Å; A228-W239 HydrophobicContact CB-CE3 3.93Å; R230-W239 HydrophobicContact CB-CD2 4.08Å; R230-W239 HydrophobicContact CB-CE3 4.15Å; R230-W239 HydrophobicContact CB-CZ2 4.47Å; R230-W239 HydrophobicContact CB-CZ3 4.37Å; R230-W239 HydrophobicContact CG-CD2 4.45Å
240I85.1Confident76.5Confident26 Ų2670.1 Ų70.113%0.13334%0.342CS..EExtended strand (participates in β ladder)trans-107.6124176-57.9-158.8000109.7A228 M229 Y231 C258 V260A228-I240 CarbonylContact C-O 3.49Å; A228-I240 WeakPolarHBondContact CA-O 3.34Å; M229-I240 HydrophobicContact CG-CB 4.42Å; M229-I240 PolarHBondContact N-O 3.03Å; M229-I240 PolarHBondContact O-N 3.24Å; Y231-I240 HydrophobicContact CD1-CD1 4.48Å; Y231-I240 HydrophobicContact CE1-CD1 3.4Å; Y231-I240 HydrophobicContact CE1-CG1 3.88Å; I240-C258 VanDerWaalsContact CD1-O 3.3Å; I240-C258 WeakPolarHBondContact CD1-O 3.49Å; I240-C258 VanDerWaalsContact CD1-SG 3.57Å; I240-V260 HydrophobicContact CD1-CG2 4.2Å
241V87.9Confident76.3Confident3 Ų368.6 Ų68.62%0.01834%0.337CS..EExtended strand (participates in β ladder)trans-82.7148.9175.3172.70000109.5L101 V104 H105 A228 E243 L245 L246L101-V241 HydrophobicContact CD1-CG1 4.49Å; L101-V241 HydrophobicContact CD2-CG1 3.73Å; L101-V241 HydrophobicContact CD2-CG2 4.01Å; L101-V241 HydrophobicContact CG-CG1 4.46Å; V104-V241 HydrophobicContact CB-CG2 4.38Å; V104-V241 HydrophobicContact CG1-CG2 3.99Å; H105-V241 HydrophobicContact CB-CB 4.41Å; H105-V241 HydrophobicContact CB-CG2 3.86Å; A228-V241 HydrophobicContact CB-CG2 4.17Å; V241-E243 PolarHBondContact O-N 2.88Å; V241-L245 HydrophobicContact CG1-CB 4.09Å; V241-L246 HydrophobicContact CB-CD1 4.47Å; V241-L246 HydrophobicContact CB-CD2 3.93Å; V241-L246 HydrophobicContact CB-CG 4.11Å; V241-L246 HydrophobicContact CG1-CD2 3.97Å; V241-L246 HydrophobicContact CG1-CG 4.01Å
242N84.3Confident76.2Confident92 Ų9270.8 Ų70.849%0.49236%0.356SS..  trans-54.1127.9173.8-173.9-12000111.6H227 E244 L245 L246H227-N242 PolarHBondContact O-N 2.94Å; N242-E244 VanDerWaalsContact C-N 3.25Å; N242-E244 PolarHBondContact O-N 3.11Å; N242-E244 PolarHBondContact OD1-N 3.44Å; N242-L245 HydrophobicContact CB-CD1 4.25Å; N242-L245 HydrophobicContact CB-CG 4.45Å; N242-L245 WeakPolarHBondContact O-CB 3.37Å; N242-L245 PolarHBondContact O-N 2.71Å; N242-L246 PolarHBondContact O-N 3.46Å; N242-L246 VanDerWaalsContact O-N 3.15Å
243E80.8Confident76.2Confident144 Ų14475.4 Ų75.467%0.67337%0.374SS*.Hα-helixtrans-53.7-38.2-177.9-170.9172.6-169.800113.2V241 L245 L246 R247V241-E243 PolarHBondContact O-N 2.88Å; E243-L245 VanDerWaalsContact C-N 3.26Å; E243-L245 PolarHBondContact O-N 2.92Å; E243-L246 PolarHBondContact O-N 3.4Å; E243-R247 WeakPolarHBondContact O-CB 3.39Å; E243-R247 PolarHBondContact O-N 3.11Å
244E82.8Confident76Confident71 Ų7178.9 Ų78.933%0.33238%0.381SS..Hα-helixtrans-64.2-30.8177.2175.555.3-160.800112.6N242 R247 R248N242-E244 VanDerWaalsContact C-N 3.25Å; N242-E244 PolarHBondContact O-N 3.11Å; N242-E244 PolarHBondContact OD1-N 3.44Å; E244-R247 IonicContact OE1-NH2 2.62Å; E244-R247 PolarHBondContact OE1-NH2 3.1Å; E244-R247 IonicContact OE2-CZ 2.73Å; E244-R247 IonicContact OE2-NE 3.89Å; E244-R247 PolarHBondContact OE2-NE 3.47Å; E244-R247 VanDerWaalsContact OE2-NE 3.08Å; E244-R247 IonicContact OE2-NH2 3.26Å; E244-R247 PolarHBondContact OE2-NH2 2.83Å; E244-R248 VanDerWaalsContact O-CB 3.28Å; E244-R248 WeakPolarHBondContact O-CB 3.44Å; E244-R248 PolarHBondContact O-N 3.29Å; E244-R248 IonicContact OE1-CZ 3.27Å; E244-R248 IonicContact OE1-NH2 3.53Å; E244-R248 PolarHBondContact OE1-NH2 2.88Å
245L83Confident75.6Confident13 Ų1376.2 Ų76.27%0.06837%0.374CS..Hα-helixtrans-80.3-35.6176.4-69.1173.4000112.3L101 H227 V241 N242 E243 R247 R248 H249L101-L245 HydrophobicContact CD1-CB 4.04Å; L101-L245 HydrophobicContact CD1-CD1 4.39Å; H227-L245 HydrophobicContact CB-CD1 3.61Å; H227-L245 VanDerWaalsContact ND1-CD1 3.29Å; H227-L245 WeakPolarHBondContact ND1-CD1 3.41Å; V241-L245 HydrophobicContact CG1-CB 4.09Å; N242-L245 HydrophobicContact CB-CD1 4.25Å; N242-L245 HydrophobicContact CB-CG 4.45Å; N242-L245 WeakPolarHBondContact O-CB 3.37Å; N242-L245 PolarHBondContact O-N 2.71Å; E243-L245 VanDerWaalsContact C-N 3.26Å; E243-L245 PolarHBondContact O-N 2.92Å; L245-R247 VanDerWaalsContact C-N 3.3Å; L245-R248 PolarHBondContact O-N 3.39Å; L245-H249 WeakPolarHBondContact O-CB 3.44Å; L245-H249 PolarHBondContact O-N 3.43Å
246L83.7Confident74.7Confident6 Ų679.3 Ų79.33%0.03140%0.401CS..Hα-helixtrans-60.1-44.4171.8-65.9174.9000110.3H105 V241 N242 E243 K250 I251H105-L246 HydrophobicContact CB-CD2 4.26Å; V241-L246 HydrophobicContact CB-CD1 4.47Å; V241-L246 HydrophobicContact CB-CD2 3.93Å; V241-L246 HydrophobicContact CB-CG 4.11Å; V241-L246 HydrophobicContact CG1-CD2 3.97Å; V241-L246 HydrophobicContact CG1-CG 4.01Å; N242-L246 PolarHBondContact O-N 3.46Å; N242-L246 VanDerWaalsContact O-N 3.15Å; E243-L246 PolarHBondContact O-N 3.4Å; L246-K250 WeakPolarHBondContact O-CA 3.32Å; L246-K250 PolarHBondContact O-N 3.28Å; L246-I251 HydrophobicContact CD2-CB 3.81Å; L246-I251 HydrophobicContact CD2-CD1 4.17Å; L246-I251 HydrophobicContact CD2-CG2 3.83Å; L246-I251 PolarHBondContact O-N 3.37Å
247R81Confident74.1Confident170 Ų17078.1 Ų78.164%0.64241%0.408SS*.Hα-helixtrans-63.3-45.5175-167.8-177.870.593.62.1112.1E243 E244 L245 H249 K250E243-R247 WeakPolarHBondContact O-CB 3.39Å; E243-R247 PolarHBondContact O-N 3.11Å; E244-R247 IonicContact OE1-NH2 2.62Å; E244-R247 PolarHBondContact OE1-NH2 3.1Å; E244-R247 IonicContact OE2-CZ 2.73Å; E244-R247 IonicContact OE2-NE 3.89Å; E244-R247 PolarHBondContact OE2-NE 3.47Å; E244-R247 VanDerWaalsContact OE2-NE 3.08Å; E244-R247 IonicContact OE2-NH2 3.26Å; E244-R247 PolarHBondContact OE2-NH2 2.83Å; L245-R247 VanDerWaalsContact C-N 3.3Å; R247-H249 PolarHBondContact O-N 2.66Å; R247-K250 PolarHBondContact O-N 3.07Å
248R84.7Confident73.1Confident149 Ų14979.3 Ų79.356%0.56241%0.413SS*.Hα-helixtrans-63.2-40.5-179.6-174.6175-61.4158.56.5113.1E244 L245E244-R248 VanDerWaalsContact O-CB 3.28Å; E244-R248 WeakPolarHBondContact O-CB 3.44Å; E244-R248 PolarHBondContact O-N 3.29Å; E244-R248 IonicContact OE1-CZ 3.27Å; E244-R248 IonicContact OE1-NH2 3.53Å; E244-R248 PolarHBondContact OE1-NH2 2.88Å; L245-R248 PolarHBondContact O-N 3.39Å
249H84.2Confident71.8Confident35 Ų3585.8 Ų85.816%0.16244%0.44CS..THydrogen-bonded Turntrans-94.65.9-178.3-72.4-69.7000113.6E97 K98 L245 R247 I251E97-H249 IonicContact OE2-CE1 3.18Å; E97-H249 IonicContact OE2-NE2 2.78Å; E97-H249 PolarHBondContact OE2-NE2 3.27Å; K98-H249 HydrophobicContact CB-CB 4.47Å; K98-H249 HydrophobicContact CG-CB 4.34Å; L245-H249 WeakPolarHBondContact O-CB 3.44Å; L245-H249 PolarHBondContact O-N 3.43Å; R247-H249 PolarHBondContact O-N 2.66Å; H249-I251 HydrophobicContact CB-CD1 3.91Å; H249-I251 HydrophobicContact CB-CG1 3.91Å; H249-I251 PolarHBondContact O-N 2.91Å
250K80.9Confident70.5Confident188 Ų18886.7 Ų86.782%0.81745%0.448SS*.THydrogen-bonded Turntrans51.538.9-178.5-57.8-177.5-179.9-178.60113.3L246 R247L246-K250 WeakPolarHBondContact O-CA 3.32Å; L246-K250 PolarHBondContact O-N 3.28Å; R247-K250 PolarHBondContact O-N 3.07Å
251I79.5Confident69.7Low11 Ų1189.4 Ų89.46%0.05646%0.463CS..  trans-80.3126.1-179.5-60.7173000108.5L101 E102 L246 H249 L253L101-I251 HydrophobicContact CB-CD1 3.55Å; E102-I251 HydrophobicContact CG-CB 4.49Å; E102-I251 HydrophobicContact CG-CD1 3.8Å; E102-I251 HydrophobicContact CG-CG1 3.73Å; E102-I251 HydrophobicContact CG-CG2 4.06Å; L246-I251 HydrophobicContact CD2-CB 3.81Å; L246-I251 HydrophobicContact CD2-CD1 4.17Å; L246-I251 HydrophobicContact CD2-CG2 3.83Å; L246-I251 PolarHBondContact O-N 3.37Å; H249-I251 HydrophobicContact CB-CD1 3.91Å; H249-I251 HydrophobicContact CB-CG1 3.91Å; H249-I251 PolarHBondContact O-N 2.91Å; I251-L253 PolarHBondContact O-N 3.37Å
252P67Low68.7Low89 Ų8997.2 Ų97.258%0.57850%0.497SS*.  trans-59.1125.4-176.8-22.831.8000112.5K254P252-K254 VanDerWaalsContact C-N 3.33Å; P252-K254 PolarHBondContact O-N 3.12Å
253L61.7Low68Low122 Ų12296.9 Ų96.964%0.63950%0.498SS*.  trans-73.288.5166.1-75.893.2000108.2I251 S255I251-L253 PolarHBondContact O-N 3.37Å; L253-S255 PolarHBondContact O-N 3.16Å
254K49.5Very low67.5Low156 Ų15695.6 Ų95.668%0.67849%0.49SS*.  trans-72.7117.7173.1-75.9-173.5174.8-176.40109.5L106 P252L106-K254 HydrophobicContact CD1-CB 4.23Å; P252-K254 VanDerWaalsContact C-N 3.33Å; P252-K254 PolarHBondContact O-N 3.12Å
255S46.1Very low67.1Low91 Ų9193.1 Ų93.164%0.63648%0.479SS*.  trans66.6128.516965.60000120L253 G257L253-S255 PolarHBondContact O-N 3.16Å; S255-G257 PolarHBondContact O-N 3.1Å
256P42.4Very low66.9Low137 Ų13796 Ų9689%0.8949%0.491SS*.THydrogen-bonded Turntrans-75.274.217031.9-32.4000110.1
257G50.6Low66.6Low68 Ų68100.8 Ų100.870%0.70151%0.513SS*.THydrogen-bonded Turntrans-148.8-12.2176.200000114.3S255S255-G257 PolarHBondContact O-N 3.1Å
258C49.3Very low66.1Low39 Ų3997.3 Ų97.326%0.26451%0.505SS..  trans-105.443-175.5-161.60000112.3L106 Y231 P238 I240L106-C258 HydrophobicContact CD2-CB 4.19Å; Y231-C258 PolarHBondContact OH-O 2.95Å; P238-C258 VanDerWaalsContact CG-SG 3.52Å; I240-C258 VanDerWaalsContact CD1-O 3.3Å; I240-C258 WeakPolarHBondContact CD1-O 3.49Å; I240-C258 VanDerWaalsContact CD1-SG 3.57Å
259Q55Low66Low170 Ų17090.3 Ų90.379%0.79448%0.479SS*.  trans-79.5139.7174.7-72.9-172.110.900111.3Y231 D261Y231-Q259 VanDerWaalsContact OH-C 3.25Å; Y231-Q259 PolarHBondContact OH-O 3.47Å; Q259-D261 PolarHBondContact O-N 3.25Å
260V61.7Low65.9Low41 Ų4193.5 Ų93.525%0.24849%0.493CS..  trans-70.4115.5175.2-175.90000108.8Y231 I240 K262 L265Y231-V260 HydrophobicContact CD1-CG1 4.48Å; Y231-V260 HydrophobicContact CD1-CG2 4.05Å; Y231-V260 HydrophobicContact CD2-CG1 4.1Å; Y231-V260 HydrophobicContact CE1-CB 4.34Å; Y231-V260 HydrophobicContact CE1-CG1 4.49Å; Y231-V260 HydrophobicContact CE1-CG2 3.56Å; Y231-V260 HydrophobicContact CE2-CB 4.21Å; Y231-V260 HydrophobicContact CE2-CG1 4.06Å; Y231-V260 HydrophobicContact CE2-CG2 4.31Å; Y231-V260 HydrophobicContact CG-CG1 4.31Å; Y231-V260 WeakPolarHBondContact OH-CA 3.45Å; Y231-V260 PolarHBondContact OH-N 2.91Å; I240-V260 HydrophobicContact CD1-CG2 4.2Å; V260-K262 VanDerWaalsContact C-N 3.29Å; V260-K262 PolarHBondContact O-N 2.74Å; V260-L265 HydrophobicContact CG1-CD2 4.07Å
261D67.2Low65.9Low83 Ų8387.3 Ų87.344%0.44448%0.476SS..  trans-67.489.8169.4-178-12.6000109.6Q259 V263 K264 L265Q259-D261 PolarHBondContact O-N 3.25Å; D261-V263 PolarHBondContact O-N 3.37Å; D261-V263 WeakPolarHBondContact OD1-CB 3.3Å; D261-V263 PolarHBondContact OD1-N 3.02Å; D261-K264 HydrophobicContact CB-CB 4.12Å; D261-K264 VanDerWaalsContact CG-CB 3.46Å; D261-K264 PolarHBondContact O-N 3.11Å; D261-K264 PolarHBondContact OD1-N 3.39Å; D261-K264 VanDerWaalsContact OD2-CB 3.25Å; D261-K264 WeakPolarHBondContact OD2-CB 3.22Å; D261-L265 WeakPolarHBondContact O-CB 3.45Å; D261-L265 PolarHBondContact O-N 3.35Å
262K68.3Low66Low167 Ų16787.3 Ų87.373%0.72648%0.476SS*.Hα-helixtrans-59.9-29.8-179-64.7178.4-176.11730111.6V260 K266V260-K262 VanDerWaalsContact C-N 3.29Å; V260-K262 PolarHBondContact O-N 2.74Å; K262-K266 VanDerWaalsContact O-CB 3.31Å; K262-K266 WeakPolarHBondContact O-CB 3.48Å; K262-K266 PolarHBondContact O-N 2.92Å
263V69.6Low66.7Low84 Ų8483.7 Ų83.751%0.50945%0.452SS..Hα-helixtrans-71.7-50.9-178.7-179.60000109.7D261 L265 K266 Q267D261-V263 PolarHBondContact O-N 3.37Å; D261-V263 WeakPolarHBondContact OD1-CB 3.3Å; D261-V263 PolarHBondContact OD1-N 3.02Å; V263-L265 VanDerWaalsContact C-N 3.34Å; V263-L265 PolarHBondContact O-N 3.4Å; V263-K266 PolarHBondContact O-N 2.87Å; V263-Q267 WeakPolarHBondContact O-CG 3.27Å; V263-Q267 PolarHBondContact O-N 2.94Å
264K69.5Low67.7Low118 Ų11882.7 Ų82.751%0.51344%0.444SS..Hα-helixtrans-63.6-40.4177.8-170.5172.6-173.6174.70111.9D261 K266 Q267 M268D261-K264 HydrophobicContact CB-CB 4.12Å; D261-K264 VanDerWaalsContact CG-CB 3.46Å; D261-K264 PolarHBondContact O-N 3.11Å; D261-K264 PolarHBondContact OD1-N 3.39Å; D261-K264 VanDerWaalsContact OD2-CB 3.25Å; D261-K264 WeakPolarHBondContact OD2-CB 3.22Å; K264-K266 VanDerWaalsContact C-N 3.34Å; K264-K266 PolarHBondContact O-N 3.38Å; K264-Q267 PolarHBondContact O-N 3.43Å; K264-M268 WeakPolarHBondContact O-CG 3.43Å; K264-M268 PolarHBondContact O-N 3.24Å
265L74.3Confident69.5Low18 Ų1879.5 Ų79.59%0.09443%0.431CS..Hα-helixtrans-61.7-41.5175.5-17065.7000111.8M1 V10 V260 D261 V263 M268 S269M1-L265 HydrophobicContact CE-CD2 3.97Å; M1-L265 HydrophobicContact SD-CD2 3.85Å; V10-L265 HydrophobicContact CG2-CB 4.45Å; V10-L265 HydrophobicContact CG2-CD2 3.98Å; V10-L265 HydrophobicContact CG2-CG 3.72Å; V260-L265 HydrophobicContact CG1-CD2 4.07Å; D261-L265 WeakPolarHBondContact O-CB 3.45Å; D261-L265 PolarHBondContact O-N 3.35Å; V263-L265 VanDerWaalsContact C-N 3.34Å; V263-L265 PolarHBondContact O-N 3.4Å; L265-M268 PolarHBondContact O-N 2.93Å; L265-S269 WeakPolarHBondContact O-CB 3.47Å; L265-S269 PolarHBondContact O-N 3.11Å
266K78.6Confident71.3Confident75 Ų7576.3 Ų76.333%0.32641%0.405SS..Hα-helixtrans-66.4-38.4175.6-170.9168.6-175.4173.30112.4V10 K262 V263 K264 S269 K270V10-K266 HydrophobicContact CG1-CB 4.39Å; V10-K266 HydrophobicContact CG1-CG 4.33Å; K262-K266 VanDerWaalsContact O-CB 3.31Å; K262-K266 WeakPolarHBondContact O-CB 3.48Å; K262-K266 PolarHBondContact O-N 2.92Å; V263-K266 PolarHBondContact O-N 2.87Å; K264-K266 VanDerWaalsContact C-N 3.34Å; K264-K266 PolarHBondContact O-N 3.38Å; K266-S269 WeakPolarHBondContact O-CB 3.45Å; K266-S269 PolarHBondContact O-N 3.14Å; K266-K270 PolarHBondContact O-N 3.42Å
267Q76.5Confident73.4Confident105 Ų10571.8 Ų71.849%0.49137%0.372SS..Hα-helixtrans-64.5-45.3175-71.9174.36.300112V263 K264 S269 K270 A271V263-Q267 WeakPolarHBondContact O-CG 3.27Å; V263-Q267 PolarHBondContact O-N 2.94Å; K264-Q267 PolarHBondContact O-N 3.43Å; Q267-S269 VanDerWaalsContact C-N 3.31Å; Q267-S269 PolarHBondContact O-N 2.85Å; Q267-K270 PolarHBondContact O-N 2.9Å; Q267-A271 PolarHBondContact O-N 3.43Å
268M71.4Confident74.9Confident98 Ų9872.1 Ų72.148%0.48336%0.36SS..Hα-helixtrans-61.1-41.5175.6-71.7-179.665.900111.6K264 L265 A271 L272K264-M268 WeakPolarHBondContact O-CG 3.43Å; K264-M268 PolarHBondContact O-N 3.24Å; L265-M268 PolarHBondContact O-N 2.93Å; M268-A271 PolarHBondContact O-N 2.59Å; M268-L272 WeakPolarHBondContact O-CB 3.38Å; M268-L272 PolarHBondContact O-N 3.48Å
269S82.5Confident76.6Confident1 Ų175.5 Ų75.51%0.00737%0.367CS..Hα-helixtrans-59.8-46.5176.5179.30000112.7H9 V10 L265 K266 Q267 L272 E273H9-S269 WeakPolarHBondContact CA-OG 3.44Å; H9-S269 PolarHBondContact CE1-OG 3.11Å; H9-S269 PolarHBondContact ND1-OG 2.94Å; V10-S269 PolarHBondContact N-OG 2.79Å; V10-S269 PolarHBondContact O-OG 3.37Å; L265-S269 WeakPolarHBondContact O-CB 3.47Å; L265-S269 PolarHBondContact O-N 3.11Å; K266-S269 WeakPolarHBondContact O-CB 3.45Å; K266-S269 PolarHBondContact O-N 3.14Å; Q267-S269 VanDerWaalsContact C-N 3.31Å; Q267-S269 PolarHBondContact O-N 2.85Å; S269-L272 WeakPolarHBondContact O-CB 3.46Å; S269-L272 PolarHBondContact O-N 3.07Å; S269-E273 WeakPolarHBondContact O-CB 3.42Å; S269-E273 PolarHBondContact O-N 3.34Å
270K81.5Confident77.8Confident103 Ų10367.8 Ų67.845%0.44833%0.332SS..Hα-helixtrans-64.1-43.3177.6-76.5-170.2173.6-161.30112.4K266 Q267 L272 E273 E274K266-K270 PolarHBondContact O-N 3.42Å; Q267-K270 PolarHBondContact O-N 2.9Å; K270-L272 PolarHBondContact O-N 2.82Å; K270-E273 WeakPolarHBondContact O-CB 3.45Å; K270-E273 PolarHBondContact O-N 3.36Å; K270-E274 PolarHBondContact O-N 2.93Å
271A80.8Confident78.8Confident57 Ų5768.9 Ų68.947%0.47134%0.335SS..Hα-helixtrans-61.9-35.7176.200000111.8Q267 M268 E275Q267-A271 PolarHBondContact O-N 3.43Å; M268-A271 PolarHBondContact O-N 2.59Å; A271-E275 WeakPolarHBondContact O-CB 3.48Å; A271-E275 PolarHBondContact O-N 3.13Å
272L82.3Confident79.2Confident11 Ų1168.2 Ų68.26%0.05833%0.332CS..Hα-helixtrans-68.6-45.7176.1-152.686000112.1I4 K7 M268 S269 K270 E274 E275 Y276I4-L272 HydrophobicContact CB-CD2 3.71Å; I4-L272 HydrophobicContact CG2-CD2 3.84Å; K7-L272 HydrophobicContact CB-CD1 4.37Å; K7-L272 HydrophobicContact CB-CD2 3.74Å; K7-L272 HydrophobicContact CD-CD1 3.3Å; K7-L272 HydrophobicContact CD-CD2 4.2Å; K7-L272 HydrophobicContact CD-CG 4.38Å; K7-L272 HydrophobicContact CG-CD1 4.47Å; M268-L272 WeakPolarHBondContact O-CB 3.38Å; M268-L272 PolarHBondContact O-N 3.48Å; S269-L272 WeakPolarHBondContact O-CB 3.46Å; S269-L272 PolarHBondContact O-N 3.07Å; K270-L272 PolarHBondContact O-N 2.82Å; L272-E274 VanDerWaalsContact C-N 3.25Å; L272-E274 PolarHBondContact O-N 2.98Å; L272-E275 PolarHBondContact O-N 2.99Å; L272-Y276 HydrophobicContact CD1-CE2 4.29Å; L272-Y276 HydrophobicContact CD2-CD2 4.37Å; L272-Y276 HydrophobicContact CD2-CE2 4.17Å; L272-Y276 HydrophobicContact CG-CD2 3.95Å; L272-Y276 HydrophobicContact CG-CE2 3.93Å; L272-Y276 WeakPolarHBondContact O-CD2 3.2Å; L272-Y276 PolarHBondContact O-N 3.29Å
273E82.2Confident79.5Confident14 Ų1463.4 Ų63.47%0.06532%0.319CS..Hα-helixtrans-54.9-44.8176-171.7178.1175.400110.9H9 K53 I56 S269 K270 Y276 F277H9-E273 IonicContact CE1-OE2 3.8Å; H9-E273 PolarHBondContact CE1-OE2 3.48Å; K53-E273 WeakPolarHBondContact CE-OE1 3.12Å; K53-E273 WeakPolarHBondContact CG-OE1 3.43Å; K53-E273 VanDerWaalsContact NZ-CD 3.25Å; K53-E273 IonicContact NZ-OE1 2.77Å; K53-E273 PolarHBondContact NZ-OE1 3.17Å; K53-E273 IonicContact NZ-OE2 3.27Å; K53-E273 PolarHBondContact NZ-OE2 3.48Å; I56-E273 HydrophobicContact CD1-CB 4.42Å; I56-E273 HydrophobicContact CD1-CG 3.29Å; I56-E273 WeakPolarHBondContact CD1-O 3.36Å; S269-E273 WeakPolarHBondContact O-CB 3.42Å; S269-E273 PolarHBondContact O-N 3.34Å; K270-E273 WeakPolarHBondContact O-CB 3.45Å; K270-E273 PolarHBondContact O-N 3.36Å; E273-Y276 PolarHBondContact O-N 2.87Å; E273-F277 VanDerWaalsContact O-CB 3.3Å; E273-F277 WeakPolarHBondContact O-CB 3.43Å; E273-F277 PolarHBondContact O-N 3.17Å
274E83.6Confident79.9Confident100 Ų10065.2 Ų65.247%0.46732%0.316SS..Hα-helixtrans-67.3-42.2177.3-165.4165.8-155.300112.7K270 L272 Y276 F277 V278K270-E274 PolarHBondContact O-N 2.93Å; L272-E274 VanDerWaalsContact C-N 3.25Å; L272-E274 PolarHBondContact O-N 2.98Å; E274-Y276 PolarHBondContact O-N 3.48Å; E274-F277 PolarHBondContact O-N 3.43Å; E274-V278 WeakPolarHBondContact O-CG2 3.15Å; E274-V278 PolarHBondContact O-N 3.31Å
275E85.7Confident79.8Confident90 Ų9067.5 Ų67.542%0.42132%0.322SS..Hα-helixtrans-58.7-46.3175.4-172.6-168.8159.200111.8A271 L272 R279A271-E275 WeakPolarHBondContact O-CB 3.48Å; A271-E275 PolarHBondContact O-N 3.13Å; L272-E275 PolarHBondContact O-N 2.99Å; E275-R279 PolarHBondContact O-N 3.1Å; E275-R279 VanDerWaalsContact O-N 3.09Å; E275-R279 IonicContact OE1-NH2 2.7Å; E275-R279 PolarHBondContact OE1-NH2 3.3Å
276Y85.1Confident78.9Confident24 Ų2473.4 Ų73.49%0.09435%0.349CS..Hα-helixtrans-73.6-36.2-179.8-84.3-92.6000112.1I4 S5 I61 L272 E273 E274 V278 R279 V280I4-Y276 HydrophobicContact CG2-CD1 4.11Å; I4-Y276 HydrophobicContact CG2-CD2 3.66Å; I4-Y276 HydrophobicContact CG2-CE1 4.2Å; I4-Y276 HydrophobicContact CG2-CE2 3.78Å; I4-Y276 HydrophobicContact CG2-CG 3.84Å; S5-Y276 WeakPolarHBondContact CB-OH 3.46Å; S5-Y276 PolarHBondContact OG-OH 3.4Å; I61-Y276 HydrophobicContact CB-CD1 4.05Å; I61-Y276 HydrophobicContact CB-CE1 4.3Å; I61-Y276 HydrophobicContact CD1-CD1 3.95Å; I61-Y276 HydrophobicContact CD1-CG 4.2Å; I61-Y276 HydrophobicContact CG2-CD1 4.01Å; I61-Y276 HydrophobicContact CG2-CE1 4.4Å; L272-Y276 HydrophobicContact CD1-CE2 4.29Å; L272-Y276 HydrophobicContact CD2-CD2 4.37Å; L272-Y276 HydrophobicContact CD2-CE2 4.17Å; L272-Y276 HydrophobicContact CG-CD2 3.95Å; L272-Y276 HydrophobicContact CG-CE2 3.93Å; L272-Y276 WeakPolarHBondContact O-CD2 3.2Å; L272-Y276 PolarHBondContact O-N 3.29Å; E273-Y276 PolarHBondContact O-N 2.87Å; E274-Y276 PolarHBondContact O-N 3.48Å; Y276-V278 PolarHBondContact O-N 2.85Å; Y276-R279 WeakPolarHBondContact O-CB 3.38Å; Y276-R279 PolarHBondContact O-N 3.01Å; Y276-V280 VanDerWaalsContact O-CG2 3.31Å; Y276-V280 WeakPolarHBondContact O-CG2 3.37Å; Y276-V280 PolarHBondContact O-N 2.99Å
277F86.3Confident77.8Confident41 Ų4172.7 Ų72.718%0.1835%0.354CS..Hα-helixtrans-58-49.6172.7-176.6-106.2000111.4R52 T55 I56 E273 E274 R279 V280 M281R52-F277 HydrophobicContact CB-CD2 4.12Å; R52-F277 HydrophobicContact CB-CE2 4.04Å; R52-F277 HydrophobicContact CB-CZ 4.46Å; R52-F277 HydrophobicContact CG-CD1 4.29Å; R52-F277 HydrophobicContact CG-CD2 4.05Å; R52-F277 HydrophobicContact CG-CE1 3.9Å; R52-F277 HydrophobicContact CG-CE2 3.65Å; R52-F277 HydrophobicContact CG-CG 4.37Å; R52-F277 HydrophobicContact CG-CZ 3.58Å; T55-F277 HydrophobicContact CG2-CE2 4.32Å; I56-F277 HydrophobicContact CD1-CB 3.87Å; I56-F277 HydrophobicContact CD1-CD2 4.25Å; I56-F277 HydrophobicContact CD1-CG 4.47Å; I56-F277 HydrophobicContact CG1-CB 4.2Å; I56-F277 HydrophobicContact CG1-CD2 4.09Å; E273-F277 VanDerWaalsContact O-CB 3.3Å; E273-F277 WeakPolarHBondContact O-CB 3.43Å; E273-F277 PolarHBondContact O-N 3.17Å; E274-F277 PolarHBondContact O-N 3.43Å; F277-R279 VanDerWaalsContact C-N 3.26Å; F277-R279 PolarHBondContact O-N 3.08Å; F277-V280 PolarHBondContact O-N 3.35Å; F277-M281 HydrophobicContact CD1-CG 4.16Å; F277-M281 HydrophobicContact CD2-CG 4.33Å; F277-M281 HydrophobicContact CE1-CG 3.7Å; F277-M281 HydrophobicContact CE2-CG 3.87Å; F277-M281 HydrophobicContact CE2-SD 4.04Å; F277-M281 HydrophobicContact CG-CG 4.45Å; F277-M281 HydrophobicContact CZ-CG 3.52Å; F277-M281 HydrophobicContact CZ-SD 3.85Å; F277-M281 WeakPolarHBondContact O-CB 3.26Å; F277-M281 VanDerWaalsContact O-CG 3.31Å; F277-M281 WeakPolarHBondContact O-CG 3.09Å; F277-M281 PolarHBondContact O-N 2.77Å
278V82.3Confident76.5Confident75 Ų7573.7 Ų73.746%0.45536%0.362SS..Hα-helixtrans-60-39.51771720000110.9E274 Y276 N282E274-V278 WeakPolarHBondContact O-CG2 3.15Å; E274-V278 PolarHBondContact O-N 3.31Å; Y276-V278 PolarHBondContact O-N 2.85Å; V278-N282 VanDerWaalsContact O-CB 3.31Å; V278-N282 WeakPolarHBondContact O-CB 3.13Å; V278-N282 PolarHBondContact O-N 2.94Å; V278-N282 PolarHBondContact O-ND2 3.44Å
279R83.5Confident75Confident110 Ų11072.2 Ų72.242%0.41537%0.372SS..Hα-helixtrans-63.4-47.4176.9-168.5-179.1-62163.65.2112E275 Y276 F277 N282 S283E275-R279 PolarHBondContact O-N 3.1Å; E275-R279 VanDerWaalsContact O-N 3.09Å; E275-R279 IonicContact OE1-NH2 2.7Å; E275-R279 PolarHBondContact OE1-NH2 3.3Å; Y276-R279 WeakPolarHBondContact O-CB 3.38Å; Y276-R279 PolarHBondContact O-N 3.01Å; F277-R279 VanDerWaalsContact C-N 3.26Å; F277-R279 PolarHBondContact O-N 3.08Å; R279-N282 PolarHBondContact O-N 3.3Å; R279-S283 PolarHBondContact O-N 2.91Å; R279-S283 PolarHBondContact O-OG 3.04Å
280V80.9Confident72.6Confident9 Ų977 Ų776%0.05540%0.395CS..Hα-helixtrans-61.1-46.5177.5169.20000110.6T55 E59 Y276 F277 N282 S283 R284T55-V280 HydrophobicContact CG2-CG1 4.04Å; E59-V280 HydrophobicContact CB-CG2 4.28Å; E59-V280 HydrophobicContact CG-CG1 3.79Å; E59-V280 HydrophobicContact CG-CG2 3.89Å; E59-V280 WeakPolarHBondContact OE1-CG1 3.11Å; Y276-V280 VanDerWaalsContact O-CG2 3.31Å; Y276-V280 WeakPolarHBondContact O-CG2 3.37Å; Y276-V280 PolarHBondContact O-N 2.99Å; F277-V280 PolarHBondContact O-N 3.35Å; V280-N282 VanDerWaalsContact C-N 3.33Å; V280-N282 PolarHBondContact O-N 3.34Å; V280-S283 PolarHBondContact O-N 3.14Å; V280-R284 PolarHBondContact O-N 3.31Å
281M81.8Confident70.4Confident63 Ų6375.4 Ų75.431%0.3141%0.407SS..Hα-helixtrans-63.4-39178.3-68-56.6-70.200112F277 R284 R285F277-M281 HydrophobicContact CD1-CG 4.16Å; F277-M281 HydrophobicContact CD2-CG 4.33Å; F277-M281 HydrophobicContact CE1-CG 3.7Å; F277-M281 HydrophobicContact CE2-CG 3.87Å; F277-M281 HydrophobicContact CE2-SD 4.04Å; F277-M281 HydrophobicContact CG-CG 4.45Å; F277-M281 HydrophobicContact CZ-CG 3.52Å; F277-M281 HydrophobicContact CZ-SD 3.85Å; F277-M281 WeakPolarHBondContact O-CB 3.26Å; F277-M281 VanDerWaalsContact O-CG 3.31Å; F277-M281 WeakPolarHBondContact O-CG 3.09Å; F277-M281 PolarHBondContact O-N 2.77Å; M281-R284 PolarHBondContact O-N 3.4Å; M281-R285 WeakPolarHBondContact O-CB 3.46Å; M281-R285 VanDerWaalsContact O-CG 3.31Å; M281-R285 WeakPolarHBondContact O-CG 3.4Å; M281-R285 PolarHBondContact O-N 3Å
282N76.8Confident68.2Low70 Ų7081.6 Ų81.637%0.37443%0.428SS..Hα-helixtrans-67.3-39.3174.8-73.3-20.1000112.2V278 R279 V280 R285 Q286V278-N282 VanDerWaalsContact O-CB 3.31Å; V278-N282 WeakPolarHBondContact O-CB 3.13Å; V278-N282 PolarHBondContact O-N 2.94Å; V278-N282 PolarHBondContact O-ND2 3.44Å; R279-N282 PolarHBondContact O-N 3.3Å; V280-N282 VanDerWaalsContact C-N 3.33Å; V280-N282 PolarHBondContact O-N 3.34Å; N282-R285 PolarHBondContact O-N 3.18Å; N282-Q286 VanDerWaalsContact O-CG 3.3Å; N282-Q286 WeakPolarHBondContact O-CG 3.02Å; N282-Q286 PolarHBondContact O-N 2.82Å
283S73.4Confident65.9Low66 Ų6686.6 Ų86.646%0.46246%0.464SS..Hα-helixtrans-64.2-41.2174.9-70.90000112.1R279 V280 Q286 S287R279-S283 PolarHBondContact O-N 2.91Å; R279-S283 PolarHBondContact O-OG 3.04Å; V280-S283 PolarHBondContact O-N 3.14Å; S283-Q286 PolarHBondContact O-N 3.07Å; S283-S287 PolarHBondContact O-N 3.29Å
284R79.3Confident63.5Low121 Ų12193.9 Ų93.946%0.45750%0.504SS..Hα-helixtrans-66.5-36.4174.4-72.7-178.9178.9-140.92.1112.7E59 V280 M281 Q286 S287 N288E59-R284 IonicContact OE1-CZ 2.69Å; E59-R284 IonicContact OE1-NE 2.73Å; E59-R284 PolarHBondContact OE1-NE 3.36Å; E59-R284 IonicContact OE1-NH2 3.71Å; E59-R284 PolarHBondContact OE1-NH2 3.35Å; V280-R284 PolarHBondContact O-N 3.31Å; M281-R284 PolarHBondContact O-N 3.4Å; R284-Q286 VanDerWaalsContact C-N 3.34Å; R284-S287 WeakPolarHBondContact CA-OG 3.27Å; R284-S287 PolarHBondContact O-N 3.12Å; R284-S287 PolarHBondContact O-OG 2.9Å; R284-N288 VanDerWaalsContact O-CB 3.3Å; R284-N288 WeakPolarHBondContact O-CB 3.26Å; R284-N288 VanDerWaalsContact O-CG 3.27Å; R284-N288 PolarHBondContact O-N 3.03Å; R284-N288 PolarHBondContact O-OD1 3.19Å
285R67.4Low60.9Low167 Ų16796.4 Ų96.463%0.6352%0.52SS*.Hα-helixtrans-65.7-37.3172.7-75.5174.9179.9-175.5-1.8112M281 N282 N288 G289M281-R285 WeakPolarHBondContact O-CB 3.46Å; M281-R285 VanDerWaalsContact O-CG 3.31Å; M281-R285 WeakPolarHBondContact O-CG 3.4Å; M281-R285 PolarHBondContact O-N 3Å; N282-R285 PolarHBondContact O-N 3.18Å; R285-N288 PolarHBondContact O-N 3.24Å; R285-G289 PolarHBondContact O-N 3.49Å
286Q55.8Low58.4Low141 Ų14197.7 Ų97.766%0.65953%0.534SS*.Hα-helixtrans-70-31.3175.8-73.6171.78.700112.6N282 S283 R284N282-Q286 VanDerWaalsContact O-CG 3.3Å; N282-Q286 WeakPolarHBondContact O-CG 3.02Å; N282-Q286 PolarHBondContact O-N 2.82Å; S283-Q286 PolarHBondContact O-N 3.07Å; R284-Q286 VanDerWaalsContact C-N 3.34Å
287S54.9Low55.6Low61 Ų61103.4 Ų103.443%0.42757%0.571SS.*Hα-helixtrans-77.7-27.2174.364.60000113.6S283 R284S283-S287 PolarHBondContact O-N 3.29Å; R284-S287 WeakPolarHBondContact CA-OG 3.27Å; R284-S287 PolarHBondContact O-N 3.12Å; R284-S287 PolarHBondContact O-OG 2.9Å
288N49.4Very low52.7Low126 Ų126105.9 Ų105.967%0.67459%0.594SS**SBendtrans-102.112.8-174.1-669.8000113.9R284 R285 E290R284-N288 VanDerWaalsContact O-CB 3.3Å; R284-N288 WeakPolarHBondContact O-CB 3.26Å; R284-N288 VanDerWaalsContact O-CG 3.27Å; R284-N288 PolarHBondContact O-N 3.03Å; R284-N288 PolarHBondContact O-OD1 3.19Å; R285-N288 PolarHBondContact O-N 3.24Å; N288-E290 VanDerWaalsContact C-N 3.28Å; N288-E290 PolarHBondContact O-N 3.4Å
289G39.4Very low50.1Low67 Ų67107.3 Ų107.369%0.69161%0.607SS**  trans-75.372179.500000113.6R285R285-G289 PolarHBondContact O-N 3.49Å
290E33.3Very low47.3Very low102 Ų102108.5 Ų108.548%0.47763%0.627SS.*SBendtrans-139.3118.3161.2-98165.6-150.100107.6N288 K349N288-E290 VanDerWaalsContact C-N 3.28Å; N288-E290 PolarHBondContact O-N 3.4Å; E290-K349 IonicContact OE1-NZ 3.56Å; E290-K349 PolarHBondContact OE1-NZ 3.3Å; E290-K349 IonicContact OE2-NZ 3.52Å; E290-K349 PolarHBondContact OE2-NZ 3.14Å
291G35Very low44.8Very low68 Ų68113.6 Ų113.670%0.70166%0.66SS**  trans64.297.6163.700000117
292M34.9Very low42.3Very low188 Ų188117.4 Ų117.493%0.92668%0.681SS**  trans-152.9104.8147.4-130.965.27300107.7
293S33.6Very low39.8Very low116 Ų116122 Ų12281%0.81171%0.705SS**  trans-75.1153176.846.20000111.4D295S293-D295 PolarHBondContact O-N 2.91Å
294D32.1Very low37.7Very low167 Ų167126.5 Ų126.589%0.89372%0.717SS**  trans-58.4117.2-170.6-55.7-63.7000114
295D28.9Very low35.3Very low153 Ų153126.2 Ų126.282%0.81872%0.719SS**  trans-166.3159.1130.4-147.1-10.5000110.6S293S293-D295 PolarHBondContact O-N 2.91Å
296V31.7Very low33.5Very low117 Ų117129.5 Ų129.571%0.70973%0.732SS**  trans89.387.8-180-165.30000115.6S298V296-S298 PolarHBondContact O-N 3.16Å; V296-S298 VanDerWaalsContact O-N 3.1Å
297T27.1Very low32.2Very low143 Ų143128.9 Ų128.988%0.87773%0.731SS**  trans-36.4102.8146.438.50000113.1
298S26Very low30.9Very low93 Ų93134.5 Ų134.565%0.6575%0.748SS**  trans-150.1104.8161.6173.80000110V296V296-S298 PolarHBondContact O-N 3.16Å; V296-S298 VanDerWaalsContact O-N 3.1Å
299S26.4Very low29.9Very low106 Ų106139.2 Ų139.274%0.74176%0.756SS**  trans45.586.7156.45.40000116.7
300T25.7Very low29.2Very low135 Ų135145.5 Ų145.583%0.82877%0.765SS**  trans-44.2120162.515.70000111.1L302T300-L302 PolarHBondContact O-N 3.32Å; T300-L302 VanDerWaalsContact O-N 3.11Å
301P28.8Very low28.8Very low115 Ų115144.8 Ų144.875%0.74777%0.771SS**  trans-68.8116.8175.226.2-29.2000107.8N303P301-N303 PolarHBondContact O-N 3.05Å
302L28.1Very low28.3Very low143 Ų143147.2 Ų147.275%0.74977%0.772SS**  trans-35122.6177-68.6165.6000110.9T300 F304T300-L302 PolarHBondContact O-N 3.32Å; T300-L302 VanDerWaalsContact O-N 3.11Å; L302-F304 HydrophobicContact CB-CE2 4.49Å; L302-F304 VanDerWaalsContact O-CD2 3.29Å; L302-F304 WeakPolarHBondContact O-CD2 3.48Å; L302-F304 PolarHBondContact O-N 2.85Å
303N25.1Very low27.8Very low166 Ų166145.7 Ų145.789%0.88877%0.767SS**  trans-48.285.6167.5-105.9-50000109.9P301 K305P301-N303 PolarHBondContact O-N 3.05Å; N303-K305 PolarHBondContact O-N 3.06Å
304F28.7Very low27.4Very low162 Ų162150.1 Ų150.171%0.71177%0.766SS**  trans-70.687.7170.1-86.3-80.1000106.3L302 R306L302-F304 HydrophobicContact CB-CE2 4.49Å; L302-F304 VanDerWaalsContact O-CD2 3.29Å; L302-F304 WeakPolarHBondContact O-CD2 3.48Å; L302-F304 PolarHBondContact O-N 2.85Å; F304-R306 PolarHBondContact O-N 2.65Å
305K30.1Very low26.9Very low114 Ų114150 Ų15050%0.49676%0.76SS.*  trans-40.1107.1163.5-78.7-178.8173.8-179.40107N303 I307N303-K305 PolarHBondContact O-N 3.06Å; K305-I307 PolarHBondContact O-N 2.71Å
306R28.8Very low26.8Very low237 Ų237148.4 Ų148.489%0.89475%0.752SS**  trans-17.698.9169-153.5179.6-161.3177.94.8108.3F304 K308F304-R306 PolarHBondContact O-N 2.65Å; R306-K308 VanDerWaalsContact C-N 3.29Å; R306-K308 PolarHBondContact O-N 2.97Å
307I28.2Very low26.4Very low127 Ų127150.7 Ų150.765%0.65176%0.76SS**  trans-53.7102.1-175.6-68.4168000105.2K305 R309K305-I307 PolarHBondContact O-N 2.71Å; I307-R309 PolarHBondContact O-N 3.33Å
308K27.6Very low26.5Very low179 Ų179149.4 Ų149.478%0.77875%0.752SS**  trans-57.2113.5176.9-85-174.3175.5-176.80103.9R306 F310R306-K308 VanDerWaalsContact C-N 3.29Å; R306-K308 PolarHBondContact O-N 2.97Å; K308-F310 PolarHBondContact O-N 3.08Å
309R28.2Very low26.5Very low225 Ų225150.7 Ų150.785%0.84976%0.761SS**  trans-36.5129.1177.8-67.9173179.4159.9-1.8107.9I307 S311I307-R309 PolarHBondContact O-N 3.33Å; R309-S311 WeakPolarHBondContact O-CB 3.45Å; R309-S311 PolarHBondContact O-N 3.29Å
310F24.5Very low26.6Very low200 Ų200153.1 Ų153.188%0.87776%0.758SS**  trans-53.588.6169.7-84.4-90.8000108.2K308K308-F310 PolarHBondContact O-N 3.08Å
311S25.2Very low26.6Very low86 Ų86154.3 Ų154.360%0.60176%0.756SS**  trans-118.563.6-179.7-1790000105.6R309R309-S311 WeakPolarHBondContact O-CB 3.45Å; R309-S311 PolarHBondContact O-N 3.29Å
312V25.8Very low26.7Very low119 Ų119157.2 Ų157.272%0.72177%0.765SS**  trans-95.2126.4157-177.20000102.9
313L23.5Very low26.6Very low157 Ų157158.3 Ų158.382%0.82277%0.766SS**  trans95.264.2-168.1-48.4176.1000115.1
314R24.5Very low26.6Very low209 Ų209158.7 Ų158.779%0.78976%0.762SS**  trans-135.2105.5141.7-87.7-164176.6-177.4-5.5107.2
315E23Very low26.5Very low165 Ų165158.7 Ų158.777%0.77177%0.77SS**  trans-95.292.8162.6-73.8175.3174.500105.5
316D26.4Very low26.3Very low119 Ų119162.6 Ų162.664%0.63679%0.79SS**  trans-110.597.6162-72.1-38.5000105.4T318D316-T318 VanDerWaalsContact C-N 3.31Å; D316-T318 PolarHBondContact O-N 3.04Å
317N24.1Very low26.3Very low165 Ų165158.6 Ų158.688%0.88279%0.786SS**  trans-69.989.8168.4-86.5-22.2000108.1
318T27.6Very low26.2Very low115 Ų115159.9 Ų159.971%0.70679%0.794SS**  trans-117.5111.7157.239.40000107.8D316 K320D316-T318 VanDerWaalsContact C-N 3.31Å; D316-T318 PolarHBondContact O-N 3.04Å; T318-K320 PolarHBondContact O-N 3.33Å
319S27.7Very low26.1Very low121 Ų121159.4 Ų159.485%0.84680%0.799SS**  trans-42.9120.2-175.2-56.90000113M321S319-M321 PolarHBondContact O-N 2.97Å
320K27.5Very low26.2Very low157 Ų157154.3 Ų154.368%0.68380%0.796SS**  trans-60.2110.1158.1-70.8178.5166.7-1580108.2T318T318-K320 PolarHBondContact O-N 3.33Å
321M26.4Very low26.3Very low160 Ų160153.4 Ų153.479%0.78880%0.799SS**SBendtrans-149.33.2157.6-93.7-109.665.500114.4S319S319-M321 PolarHBondContact O-N 2.97Å
322L29.2Very low26.5Very low176 Ų176153.5 Ų153.592%0.92181%0.805SS**SBendtrans-142.746.7173.5-70.7171.1000112.1
323E26.2Very low26.5Very low165 Ų165156 Ų15677%0.77181%0.809SS**  trans-106.264.1167.8-77.3-172.8159.900109.9
324E26.7Very low26.8Very low175 Ų175156 Ų15682%0.81881%0.808SS**  trans-133.1132.6158.1-70-173.917200106.1
325N26.3Very low26.9Very low161 Ų161154.8 Ų154.886%0.86181%0.809SS**  trans106.537.6-178.2-50.5-35.6000118.3
326E25.3Very low27Very low197 Ų197153.3 Ų153.392%0.92181%0.806SS**  trans-106.810.3157.7-84.9-140.515700114.5
327D28.6Very low27Very low152 Ų152159.9 Ų159.981%0.81382%0.822SS**  trans-100.990.4173-70.7-35.9000109.7
328N25.5Very low27.1Very low154 Ų154156.9 Ų156.982%0.82481%0.814SS**  trans16787.1146-85-41.2000111
329L26.7Very low27Very low169 Ų169160.2 Ų160.289%0.88582%0.822SS**  trans-135110.4153.1-144.476.3000109.6L331L329-L331 PolarHBondContact O-N 3.45Å
330P30.1Very low27.9Very low119 Ų119159.7 Ų159.777%0.77382%0.815SS**  trans-79.3122.3-162.7-8.925.9000112.5
331L27Very low27.9Very low181 Ų181161.3 Ų161.395%0.94882%0.822SS**  trans-100.168.1175.2-141.684.2000109.8L329L329-L331 PolarHBondContact O-N 3.45Å
332A28.4Very low27.8Very low87 Ų87162 Ų16272%0.71982%0.823SS**  trans-154.477176.800000111.8
333Q25.2Very low27.6Very low173 Ų173158.7 Ų158.781%0.80882%0.815SS**  trans-169.994.4156.7-107.3172.338.800107.8
334L29.9Very low27.8Very low156 Ų156158.8 Ų158.882%0.81782%0.82SS**  trans-179.374.9152.2-94.2160.5000106.5
335K26.8Very low27.7Very low184 Ų184158.7 Ų158.780%0.882%0.82SS**  trans-105.4147.6162.2-149.6-175.9178.4-174.40106.5
336D26.3Very low27.8Very low134 Ų134158 Ų15872%0.71782%0.816SS**  trans79.492.5166.2-52.7-32.2000118.7
337R25.9Very low27.9Very low257 Ų257153.3 Ų153.397%0.9781%0.805SS**  -157.7107.6124.8-136.8174.3175.7-167.9-1.7111.1
338S25Very low27.9Very low102 Ų102148.2 Ų148.271%0.71379%0.788SS**  trans-103.1138.8173.548.30000110.4
339Q26.3Very low28.2Very low185 Ų185144.8 Ų144.886%0.86477%0.766SS**  trans146.3150.7132.8-76.7-104.3-25.600114.6
340P46.6Very low28.4Very low109 Ų109141.5 Ų141.571%0.70875%0.745SS**  trans-120.9166.5-150.139.2-23.4000115.9
341K27.5Very low28.2Very low191 Ų191145.8 Ų145.883%0.8375%0.751SS**  trans-147.3112.6161.1-80.9-171.8174.8179.30109.7
342Q25.1Very low28.2Very low174 Ų174146.3 Ų146.381%0.81375%0.751SS**  63.899.4109-78.9176.6-20.500114.5
343S24.6Very low28Very low107 Ų107152 Ų15275%0.74876%0.76SS**  88.8112.78465.80000113.4
344L30.5Very low28.2Very low167 Ų167152.9 Ų152.987%0.87476%0.764SS**  172.6156.9128.2-146.668.2000110.3
345E24.9Very low28Very low173 Ų173150.8 Ų150.881%0.80876%0.762SS**  trans-92.3163.4-153-58.9162.1136.300115.9
346D27.7Very low28.2Very low146 Ų146148.8 Ų148.878%0.78177%0.766SS**  trans99.8120.6130.4-123.2-2.1000124.1
347S27.6Very low28.3Very low99 Ų99149.5 Ų149.569%0.69277%0.769SS**  trans67.6131.8140.381.50000123.7
348G28.9Very low28.5Very low45 Ų45146.1 Ų146.146%0.46476%0.761SS.*  trans135.459.9139.800000119.6
349K30.9Very low28.6Very low83 Ų83149.7 Ų149.736%0.36177%0.767SS.*  trans-87.1118.3168.9-82.6175.9175.9150.40113.2E290 N786 L787E290-K349 IonicContact OE1-NZ 3.56Å; E290-K349 PolarHBondContact OE1-NZ 3.3Å; E290-K349 IonicContact OE2-NZ 3.52Å; E290-K349 PolarHBondContact OE2-NZ 3.14Å; K349-N786 HydrophobicContact CG-CB 4.49Å; K349-L787 HydrophobicContact CG-CD1 3.82Å
350K30Very low29Very low100 Ų100150.7 Ų150.744%0.43577%0.769SS.*  trans-69.1129.8176.5-65.3174.1177.1178.70113.4N786 N789K350-N786 HydrophobicContact CB-CB 4.32Å; K350-N786 PolarHBondContact O-ND2 2.96Å; K350-N789 PolarHBondContact NZ-ND2 2.89Å; K350-N789 VanDerWaalsContact NZ-ND2 3.17Å
351K26.7Very low27.9Very low208 Ų208148.8 Ų148.890%0.90477%0.769SS**  trans-109.5131.1165.6-77.8-178.3177174.50110
352M28.1Very low27.9Very low192 Ų192149.3 Ų149.395%0.94677%0.771SS**  trans-86.7133.2-179.8-170.1153.264.400111
353K23Very low28Very low208 Ų208150.9 Ų150.990%0.90478%0.775SS**  trans-66.4130.5-170.7-69.3170173.9175.80112.9
354Q29.4Very low28Very low191 Ų191152 Ų15289%0.89378%0.777SS**  trans-126.4130.5145.3-153.9176.218.700107.6
355S26.1Very low27.9Very low112 Ų112149.4 Ų149.478%0.78377%0.771SS**  trans-69.4121.2-169.549.90000113.5
356T31.1Very low28Very low142 Ų142146.8 Ų146.887%0.87177%0.767SS**  trans-142.899.3145.833.30000108
357L28.7Very low27.7Very low148 Ų148148.9 Ų148.978%0.77577%0.769SS**  trans-58.4119.3159.8178.587.1000108.4
358F30.3Very low27.8Very low186 Ų186152.1 Ų152.182%0.81678%0.778SS**  trans-174.8101.3138.6-92-64.9000108
359Q25.7Very low27.5Very low178 Ų178158.7 Ų158.783%0.83280%0.797SS**  trans-72.6134.1165.1-81.5169.3-3100109.4
360F34.5Very low27.3Very low206 Ų206163 Ų16390%0.90482%0.823SS**  trans-145.6109.9137.4-82.9-69.1000108.3
361G24.8Very low27Very low69 Ų69162.5 Ų162.571%0.71183%0.832SS**  trans-76.9156.7167.200000111.7
362K28.3Very low26.8Very low202 Ų202158 Ų15888%0.87882%0.817SS**  trans-170.491.6153.3-99.4165.7-171.1-172.70105.2
363K25.9Very low26.6Very low206 Ų206156.9 Ų156.990%0.89681%0.807SS**  65.1115.4104-75.2-170.1176.4-175.40113.6
364T25.1Very low26.7Very low130 Ų130152.4 Ų152.480%0.79880%0.802SS**  trans-54.4154.8164.342.10000112.7
365P28.9Very low26.5Very low113 Ų113149.1 Ų149.173%0.73480%0.795SS**  -138.2117.6106.724.5-5.2000111.6
366T26.4Very low26.6Very low119 Ų119151.6 Ų151.673%0.7380%0.798SS**  63.8113.4102.256.70000116
367K22.2Very low26.4Very low190 Ų190151.7 Ų151.783%0.82679%0.793SS**  trans33124.6141.1-78-179.7167.7-177.60118.1
368D28.9Very low26.3Very low166 Ų166156 Ų15689%0.88880%0.799SS**  -159.5117112.9-84.8-28.6000110
369E22.5Very low26.4Very low183 Ų183153.2 Ų153.286%0.85580%0.8SS**  trans-71.9144154.9-71.2174.9136.500107.7
370I27Very low26.5Very low175 Ų175154.7 Ų154.790%0.89780%0.803SS**  -171142.9126.3-90.1150.4000109.4
371S22.4Very low26.3Very low89 Ų89154.8 Ų154.862%0.62280%0.803SS**  trans-81166.8-170.2-169.60000114.5
372D23.3Very low26.6Very low113 Ų113158.7 Ų158.760%0.60481%0.808SS**  trans95.5119.8137.1-88.9-14.3000122.2
373K23.5Very low26.7Very low168 Ų168155.9 Ų155.973%0.7381%0.808SS**  trans65.6118.4132.5-66.2166.2-176.9142.60118.8
374S24.8Very low27Very low114 Ų114154.4 Ų154.480%0.79781%0.81SS**  174.2145.29148.60000114
375T25.4Very low27.6Very low123 Ų123157.5 Ų157.576%0.75582%0.815SS**  trans-48123.1177.9-49.40000115.4
376I29.5Very low28Very low163 Ų163163.9 Ų163.984%0.83683%0.825SS**  trans-99.5109.1165.4-65175.7000109.1
377N27Very low29Very low144 Ų144162.9 Ų162.977%0.7782%0.823SS**PPolyproline II helixtrans-67128.5174-83.6-38.7000111.4
378R26.8Very low31.1Very low240 Ų240157.5 Ų157.591%0.90681%0.814SS**PPolyproline II helixtrans-87.6132.6168.9-90.9-178.3170.2-172.6-3.1110.7
379P31.5Very low33.1Very low127 Ų127151.3 Ų151.383%0.82578%0.78SS**PPolyproline II helixtrans-84141.2179.132.7-31000111.9
380K28.3Very low35.7Very low208 Ų208144.9 Ų144.990%0.90475%0.754SS**PPolyproline II helixtrans-75.9132.8171.4-67.9173.8176.9174.60109.5
381K30.4Very low38.4Very low208 Ų208146.9 Ų146.990%0.90475%0.751SS**  trans-137.3114.4160.8-137.1176.4-175.4-179.30109.4
382N29.9Very low41.3Very low152 Ų152144.4 Ų144.481%0.81373%0.732SS**  trans-69.3141.7164-80.4-21000109.1
383T31.9Very low44.2Very low143 Ų143139 Ų13988%0.87770%0.703SS**  -174.9139126.330.60000110E385T383-E385 PolarHBondContact O-N 3.23Å
384N32.2Very low47.2Very low175 Ų175135.4 Ų135.494%0.93669%0.688SS**  trans-53.4119.9-175.9-73.2-40.1000114.6
385E36.8Very low50.1Low194 Ų194134.2 Ų134.291%0.90767%0.67SS**  trans-130.5136.1156.9-111.1-178.8172.700108.6T383 S387T383-E385 PolarHBondContact O-N 3.23Å; E385-S387 PolarHBondContact O-N 2.93Å
386R38Very low53.1Low248 Ų248128.3 Ų128.394%0.93663%0.634SS**  trans-45.9121.3-173.1-70.7172173.8179.5-2.8111.3A388R386-A388 PolarHBondContact O-N 3.47Å
387S47.7Very low55.8Low98 Ų98123.4 Ų123.469%0.68561%0.609SS**  trans-65.788.6-170.350.90000112.9E385E385-S387 PolarHBondContact O-N 2.93Å
388A65.5Low58.6Low77 Ų77122.8 Ų122.864%0.63660%0.599SS**PPolyproline II helixtrans-55.1139.9168.800000110.3R386R386-A388 PolarHBondContact O-N 3.47Å
389L71.2Confident61.4Low36 Ų36112.3 Ų112.319%0.18856%0.561CS.*PPolyproline II helixtrans-49.7140.7171.2-89.997.6000109.5R391 A393 Q394 I397 K427 L428L389-R391 PolarHBondContact O-N 3.18Å; L389-A393 HydrophobicContact CB-CB 4.16Å; L389-A393 HydrophobicContact CD2-CB 3.63Å; L389-A393 HydrophobicContact CG-CB 4.48Å; L389-Q394 HydrophobicContact CB-CG 4.06Å; L389-Q394 PolarHBondContact O-NE2 2.77Å; L389-I397 HydrophobicContact CD2-CD1 4.13Å; L389-K427 HydrophobicContact CD1-CB 3.86Å; L389-K427 HydrophobicContact CD1-CD 3.86Å; L389-K427 HydrophobicContact CD2-CB 4.06Å; L389-K427 HydrophobicContact CG-CB 4.15Å; L389-K427 HydrophobicContact CG-CD 4.12Å; L389-L428 HydrophobicContact CD2-CD2 4.27Å
390P77.7Confident64Low48 Ų48107.9 Ų107.931%0.31253%0.529SS..PPolyproline II helixtrans-51.6141.2176-26.934000111.5V392 A393 Q394 I420P390-V392 PolarHBondContact O-N 3.05Å; P390-A393 WeakPolarHBondContact O-CA 3.28Å; P390-A393 VanDerWaalsContact O-CB 3.26Å; P390-A393 WeakPolarHBondContact O-CB 3.09Å; P390-A393 PolarHBondContact O-N 2.89Å; P390-Q394 PolarHBondContact O-N 3.35Å; P390-Q394 VanDerWaalsContact O-N 3.14Å; P390-I420 HydrophobicContact CG-CG1 4.45Å
391R81.8Confident66.6Low217 Ų217101.3 Ų101.382%0.81952%0.52SS*.Hα-helixtrans-49.1-33.1-178.8-76.8-173.5174.7-176-1.2113.4L389 Q394 H395L389-R391 PolarHBondContact O-N 3.18Å; R391-Q394 PolarHBondContact O-N 2.88Å; R391-H395 WeakPolarHBondContact O-CB 3.12Å; R391-H395 PolarHBondContact O-N 3.08Å
392V84.4Confident69.1Low37 Ų3797.5 Ų97.522%0.22451%0.505CS..Hα-helixtrans-61.4-43.6176.5-173.30000111.5P390 L396 Q412 L415 C416P390-V392 PolarHBondContact O-N 3.05Å; V392-L396 PolarHBondContact O-N 3.32Å; V392-Q412 VanDerWaalsContact CG1-NE2 3.26Å; V392-Q412 PolarHBondContact O-NE2 3.38Å; V392-L415 HydrophobicContact CG1-CB 3.73Å; V392-L415 HydrophobicContact CG1-CD2 4.4Å; V392-C416 PolarHBondContact O-SG 3.16Å
393A84.7Confident71.6Confident0 Ų094.3 Ų94.30%049%0.488CS..Hα-helixtrans-67.6-44.1176.200000111.6L389 P390 H395 L396 I397 I420 L428L389-A393 HydrophobicContact CB-CB 4.16Å; L389-A393 HydrophobicContact CD2-CB 3.63Å; L389-A393 HydrophobicContact CG-CB 4.48Å; P390-A393 WeakPolarHBondContact O-CA 3.28Å; P390-A393 VanDerWaalsContact O-CB 3.26Å; P390-A393 WeakPolarHBondContact O-CB 3.09Å; P390-A393 PolarHBondContact O-N 2.89Å; A393-H395 VanDerWaalsContact C-N 3.3Å; A393-H395 PolarHBondContact O-N 3.37Å; A393-L396 WeakPolarHBondContact O-CB 3.49Å; A393-L396 PolarHBondContact O-N 3.44Å; A393-L396 VanDerWaalsContact O-N 3.14Å; A393-I397 WeakPolarHBondContact O-CG1 3.44Å; A393-I397 PolarHBondContact O-N 3.24Å; A393-I420 HydrophobicContact CB-CD1 3.38Å; A393-I420 HydrophobicContact CB-CG1 4.28Å; A393-L428 HydrophobicContact CB-CD2 4.2Å
394Q85.7Confident73.9Confident91 Ų9195.8 Ų95.843%0.42548%0.477SS..Hα-helixtrans-60.2-42.3176.7-61.3-179.94.700111.3L389 P390 R391 L396 I397 K398L389-Q394 HydrophobicContact CB-CG 4.06Å; L389-Q394 PolarHBondContact O-NE2 2.77Å; P390-Q394 PolarHBondContact O-N 3.35Å; P390-Q394 VanDerWaalsContact O-N 3.14Å; R391-Q394 PolarHBondContact O-N 2.88Å; Q394-L396 VanDerWaalsContact C-N 3.33Å; Q394-L396 PolarHBondContact O-N 3.15Å; Q394-I397 PolarHBondContact O-N 2.87Å; Q394-K398 WeakPolarHBondContact O-CB 3.23Å; Q394-K398 PolarHBondContact O-N 3.38Å
395H86.2Confident76Confident89 Ų8994.6 Ų94.641%0.41247%0.471SS..Hα-helixtrans-65.3-36.5176.2-172.457.6000112.3R391 A393 K398 M399 Q412R391-H395 WeakPolarHBondContact O-CB 3.12Å; R391-H395 PolarHBondContact O-N 3.08Å; A393-H395 VanDerWaalsContact C-N 3.3Å; A393-H395 PolarHBondContact O-N 3.37Å; H395-K398 PolarHBondContact O-N 3.33Å; H395-M399 WeakPolarHBondContact O-CB 3.13Å; H395-M399 WeakPolarHBondContact O-CG 3.47Å; H395-M399 PolarHBondContact O-N 3.5Å; H395-Q412 PolarHBondContact CD2-NE2 3.47Å
396L87.1Confident78.1Confident0 Ų087.6 Ų87.60%044%0.44CS..Hα-helixtrans-62.8-47173.6-178.662.9000111.4V392 A393 Q394 K398 M399 F400 I409 Q412 I413 C416 L432 V436V392-L396 PolarHBondContact O-N 3.32Å; A393-L396 WeakPolarHBondContact O-CB 3.49Å; A393-L396 PolarHBondContact O-N 3.44Å; A393-L396 VanDerWaalsContact O-N 3.14Å; Q394-L396 VanDerWaalsContact C-N 3.33Å; Q394-L396 PolarHBondContact O-N 3.15Å; L396-K398 PolarHBondContact O-N 2.95Å; L396-M399 PolarHBondContact O-N 2.94Å; L396-F400 VanDerWaalsContact O-CB 3.27Å; L396-F400 WeakPolarHBondContact O-CB 3.47Å; L396-F400 PolarHBondContact O-N 2.8Å; L396-I409 HydrophobicContact CD1-CG2 3.95Å; L396-Q412 HydrophobicContact CB-CG 3.75Å; L396-Q412 HydrophobicContact CD1-CB 3.87Å; L396-Q412 HydrophobicContact CD1-CG 3.93Å; L396-Q412 HydrophobicContact CG-CG 4.41Å; L396-I413 HydrophobicContact CD1-CG1 3.77Å; L396-I413 HydrophobicContact CD2-CG1 4.11Å; L396-C416 HydrophobicContact CD2-CB 4.12Å; L396-C416 VanDerWaalsContact CD2-SG 3.58Å; L396-L432 HydrophobicContact CD1-CD2 4.24Å; L396-L432 HydrophobicContact CD2-CD1 4.15Å; L396-L432 HydrophobicContact CD2-CD2 4.24Å; L396-L432 HydrophobicContact CG-CD1 3.88Å; L396-L432 HydrophobicContact CG-CD2 4.23Å; L396-V436 HydrophobicContact CD2-CG2 3.84Å
397I86.6Confident80Confident60 Ų6080.4 Ų80.431%0.30843%0.426SS..Hα-helixtrans-60-47.6178.1-64.9168.6000110.2L389 A393 Q394 F400 G401 L428 P429L389-I397 HydrophobicContact CD2-CD1 4.13Å; A393-I397 WeakPolarHBondContact O-CG1 3.44Å; A393-I397 PolarHBondContact O-N 3.24Å; Q394-I397 PolarHBondContact O-N 2.87Å; I397-F400 PolarHBondContact O-N 3.23Å; I397-G401 PolarHBondContact O-N 3.34Å; I397-L428 HydrophobicContact CD1-CD2 4.05Å; I397-L428 HydrophobicContact CG1-CD2 3.94Å; I397-P429 HydrophobicContact CG1-CG 4.18Å; I397-P429 HydrophobicContact CG2-CG 4.36Å
398K86.9Confident81.5Confident131 Ų13177.4 Ų77.457%0.5741%0.407SS*.Hα-helixtrans-59.1-51.2178.8-178174.3175.5175.80111.8Q394 H395 L396 F400 G401 E402Q394-K398 WeakPolarHBondContact O-CB 3.23Å; Q394-K398 PolarHBondContact O-N 3.38Å; H395-K398 PolarHBondContact O-N 3.33Å; L396-K398 PolarHBondContact O-N 2.95Å; K398-F400 VanDerWaalsContact C-N 3.31Å; K398-F400 PolarHBondContact O-N 3.31Å; K398-G401 PolarHBondContact O-N 3.15Å; K398-E402 WeakPolarHBondContact CE-OE1 3.44Å; K398-E402 WeakPolarHBondContact CG-OE1 3.49Å; K398-E402 IonicContact NZ-OE1 3.32Å; K398-E402 WeakPolarHBondContact O-CG 3.35Å; K398-E402 PolarHBondContact O-N 3.31Å
399M84.8Confident82.4Confident19 Ų1974.2 Ų74.29%0.09438%0.379CS..Hα-helixtrans-64.8-34.9179.6-73.5-138.8-55.900113H395 L396 E402 N403 A408 I409 Q412H395-M399 WeakPolarHBondContact O-CB 3.13Å; H395-M399 WeakPolarHBondContact O-CG 3.47Å; H395-M399 PolarHBondContact O-N 3.5Å; L396-M399 PolarHBondContact O-N 2.94Å; M399-E402 PolarHBondContact O-N 3.33Å; M399-N403 PolarHBondContact O-N 3.01Å; M399-N403 VanDerWaalsContact O-N 3.07Å; M399-A408 HydrophobicContact CE-CB 3.53Å; M399-A408 HydrophobicContact SD-CB 4.14Å; M399-I409 HydrophobicContact CB-CG1 4.19Å; M399-I409 HydrophobicContact CE-CG1 4.39Å; M399-Q412 HydrophobicContact CE-CB 4.18Å
400F86.3Confident83.1Confident35 Ų3577.3 Ų77.315%0.15439%0.392CS..Hα-helixtrans-68-36.3177.4-170.5-101.9000112.3L396 I397 K398 R404 I409 E431 L432L396-F400 VanDerWaalsContact O-CB 3.27Å; L396-F400 WeakPolarHBondContact O-CB 3.47Å; L396-F400 PolarHBondContact O-N 2.8Å; I397-F400 PolarHBondContact O-N 3.23Å; K398-F400 VanDerWaalsContact C-N 3.31Å; K398-F400 PolarHBondContact O-N 3.31Å; F400-R404 HydrophobicContact CE2-CG 4.45Å; F400-R404 HydrophobicContact CZ-CG 4.37Å; F400-I409 HydrophobicContact CD2-CD1 4.13Å; F400-I409 HydrophobicContact CD2-CG2 4.33Å; F400-E431 HydrophobicContact CE1-CB 4.01Å; F400-E431 HydrophobicContact CE1-CG 4.45Å; F400-E431 HydrophobicContact CZ-CB 3.73Å; F400-E431 HydrophobicContact CZ-CG 4.4Å; F400-L432 HydrophobicContact CB-CD1 3.83Å; F400-L432 HydrophobicContact CB-CD2 4.39Å; F400-L432 HydrophobicContact CB-CG 4.46Å; F400-L432 HydrophobicContact CD1-CD1 4.05Å; F400-L432 HydrophobicContact CD1-CG 4.15Å; F400-L432 HydrophobicContact CD2-CD1 4.35Å; F400-L432 HydrophobicContact CD2-CD2 3.58Å; F400-L432 HydrophobicContact CD2-CG 4.07Å; F400-L432 HydrophobicContact CE1-CG 4.41Å; F400-L432 HydrophobicContact CE2-CD2 3.91Å; F400-L432 HydrophobicContact CE2-CG 4.34Å; F400-L432 HydrophobicContact CG-CD1 3.83Å; F400-L432 HydrophobicContact CG-CD2 3.94Å; F400-L432 HydrophobicContact CG-CG 3.97Å; F400-L432 HydrophobicContact CZ-CG 4.5Å
401G81.7Confident83.4Confident69 Ų6978.7 Ų78.771%0.71140%0.4SS*.Hα-helixtrans-68-38.9172.900000113.3I397 K398I397-G401 PolarHBondContact O-N 3.34Å; K398-G401 PolarHBondContact O-N 3.15Å
402E84Confident83.6Confident129 Ų12969.4 Ų69.460%0.60337%0.366SS*.Hα-helixtrans-72.8-43.6-178.2-72.9170.6179.500113.1K398 M399K398-E402 WeakPolarHBondContact CE-OE1 3.44Å; K398-E402 WeakPolarHBondContact CG-OE1 3.49Å; K398-E402 IonicContact NZ-OE1 3.32Å; K398-E402 WeakPolarHBondContact O-CG 3.35Å; K398-E402 PolarHBondContact O-N 3.31Å; M399-E402 PolarHBondContact O-N 3.33Å
403N82.6Confident83.9Confident85 Ų8568.5 Ų68.546%0.45536%0.36SS..  trans-158.4100.4179.6-178.2-7.3000111.7M399 N405 N406 I409M399-N403 PolarHBondContact O-N 3.01Å; M399-N403 VanDerWaalsContact O-N 3.07Å; N403-N405 PolarHBondContact O-N 3.33Å; N403-N405 PolarHBondContact OD1-N 2.92Å; N403-N406 HydrophobicContact CB-CB 4.18Å; N403-N406 VanDerWaalsContact O-CB 3.31Å; N403-N406 WeakPolarHBondContact O-CB 3.38Å; N403-N406 PolarHBondContact O-N 3.3Å; N403-I409 WeakPolarHBondContact O-CD1 3.39Å
404R79.2Confident84Confident173 Ų17372.4 Ų72.465%0.65337%0.374SS*.THydrogen-bonded Turntrans-54.1-26.6-179.8-65.8-177.1178.7-165.3-3.5114.5F400F400-R404 HydrophobicContact CE2-CG 4.45Å; F400-R404 HydrophobicContact CZ-CG 4.37Å
405N76.3Confident84Confident150 Ų15071.4 Ų71.480%0.80237%0.372SS*.THydrogen-bonded Turntrans-97.48.9-176.8-66.8-21.3000113.6N403 P407N403-N405 PolarHBondContact O-N 3.33Å; N403-N405 PolarHBondContact OD1-N 2.92Å; N405-P407 WeakPolarHBondContact O-CD 3.44Å
406N81.3Confident84Confident48 Ų4867.2 Ų67.226%0.25735%0.352SS..  trans-69.5119.5-179.5-175.3-11.2000110.8N403 A408 I409N403-N406 HydrophobicContact CB-CB 4.18Å; N403-N406 VanDerWaalsContact O-CB 3.31Å; N403-N406 WeakPolarHBondContact O-CB 3.38Å; N403-N406 PolarHBondContact O-N 3.3Å; N406-A408 PolarHBondContact O-N 3.46Å; N406-A408 WeakPolarHBondContact OD1-CB 3.32Å; N406-A408 PolarHBondContact OD1-N 3.17Å; N406-I409 HydrophobicContact CB-CD1 3.99Å; N406-I409 HydrophobicContact CB-CG1 4.13Å; N406-I409 WeakPolarHBondContact O-CB 3.47Å; N406-I409 WeakPolarHBondContact O-CG1 3.5Å; N406-I409 PolarHBondContact O-N 3.06Å
407P77.8Confident84.1Confident97 Ų9767.4 Ų67.463%0.6335%0.354SS*.THydrogen-bonded Turntrans-61.2-20.1179.225.3-35.1000113.2N405 I409 E410 T411N405-P407 WeakPolarHBondContact O-CD 3.44Å; P407-I409 PolarHBondContact O-N 3.09Å; P407-E410 PolarHBondContact O-N 3.28Å; P407-T411 PolarHBondContact O-OG1 3.24Å
408A79.9Confident84.1Confident35 Ų3570.9 Ų70.929%0.28937%0.367SS..Hα-helixtrans-63.3-27.317300000112.3M399 N406 E410 T411 Q412M399-A408 HydrophobicContact CE-CB 3.53Å; M399-A408 HydrophobicContact SD-CB 4.14Å; N406-A408 PolarHBondContact O-N 3.46Å; N406-A408 WeakPolarHBondContact OD1-CB 3.32Å; N406-A408 PolarHBondContact OD1-N 3.17Å; A408-E410 VanDerWaalsContact C-N 3.31Å; A408-E410 PolarHBondContact O-N 3.36Å; A408-T411 WeakPolarHBondContact O-CB 3.42Å; A408-T411 PolarHBondContact O-N 3.15Å; A408-T411 VanDerWaalsContact O-N 3.15Å; A408-T411 PolarHBondContact O-OG1 2.94Å; A408-Q412 PolarHBondContact O-N 3.23Å
409I85.3Confident83.9Confident10 Ų1071.4 Ų71.45%0.05137%0.369CS..Hα-helixtrans-57.4-44.1175.8-68.8168.4000110.5L396 M399 F400 N403 N406 P407 T411 Q412 I413L396-I409 HydrophobicContact CD1-CG2 3.95Å; M399-I409 HydrophobicContact CB-CG1 4.19Å; M399-I409 HydrophobicContact CE-CG1 4.39Å; F400-I409 HydrophobicContact CD2-CD1 4.13Å; F400-I409 HydrophobicContact CD2-CG2 4.33Å; N403-I409 WeakPolarHBondContact O-CD1 3.39Å; N406-I409 HydrophobicContact CB-CD1 3.99Å; N406-I409 HydrophobicContact CB-CG1 4.13Å; N406-I409 WeakPolarHBondContact O-CB 3.47Å; N406-I409 WeakPolarHBondContact O-CG1 3.5Å; N406-I409 PolarHBondContact O-N 3.06Å; P407-I409 PolarHBondContact O-N 3.09Å; I409-T411 VanDerWaalsContact C-N 3.3Å; I409-T411 PolarHBondContact O-N 2.86Å; I409-Q412 CarbonylContact O-C 3.47Å; I409-Q412 PolarHBondContact O-N 2.87Å; I409-Q412 VanDerWaalsContact O-N 3.09Å; I409-I413 HydrophobicContact CG2-CD1 3.76Å; I409-I413 HydrophobicContact CG2-CG1 4.2Å; I409-I413 VanDerWaalsContact O-CG1 3.3Å; I409-I413 WeakPolarHBondContact O-CG1 3.49Å; I409-I413 PolarHBondContact O-N 2.96Å
410E84.4Confident83.9Confident100 Ų10070.8 Ų70.847%0.46737%0.366SS..Hα-helixtrans-64.7-38.6179.7-162.5-168.6139.900111.8P407 A408 Q412 I413 R414P407-E410 PolarHBondContact O-N 3.28Å; A408-E410 VanDerWaalsContact C-N 3.31Å; A408-E410 PolarHBondContact O-N 3.36Å; E410-Q412 VanDerWaalsContact C-N 3.26Å; E410-Q412 PolarHBondContact O-N 3.44Å; E410-I413 PolarHBondContact O-N 3.3Å; E410-R414 WeakPolarHBondContact O-CG 3.34Å; E410-R414 PolarHBondContact O-N 3.06Å; E410-R414 VanDerWaalsContact O-N 3.08Å; E410-R414 IonicContact OE1-CZ 2.77Å; E410-R414 IonicContact OE1-NE 3.39Å; E410-R414 IonicContact OE1-NH2 3.45Å; E410-R414 PolarHBondContact OE1-NH2 3.18Å
411T84.9Confident83.8Confident77 Ų7771.3 Ų71.347%0.47237%0.374SS..Hα-helixtrans-61.1-41.3174.4-25.90000110.6P407 A408 I409 R414 L415P407-T411 PolarHBondContact O-OG1 3.24Å; A408-T411 WeakPolarHBondContact O-CB 3.42Å; A408-T411 PolarHBondContact O-N 3.15Å; A408-T411 VanDerWaalsContact O-N 3.15Å; A408-T411 PolarHBondContact O-OG1 2.94Å; I409-T411 VanDerWaalsContact C-N 3.3Å; I409-T411 PolarHBondContact O-N 2.86Å; T411-R414 WeakPolarHBondContact O-CB 2.95Å; T411-R414 PolarHBondContact O-N 3.3Å; T411-L415 PolarHBondContact O-N 2.81Å; T411-L415 VanDerWaalsContact O-N 3.16Å
412Q86.4Confident83.9Confident23 Ų2373 Ų7311%0.10737%0.367CS..Hα-helixtrans-72.2-37179-165.465.54.500112.6V392 H395 L396 M399 A408 I409 E410 R414 L415 C416V392-Q412 VanDerWaalsContact CG1-NE2 3.26Å; V392-Q412 PolarHBondContact O-NE2 3.38Å; H395-Q412 PolarHBondContact CD2-NE2 3.47Å; L396-Q412 HydrophobicContact CB-CG 3.75Å; L396-Q412 HydrophobicContact CD1-CB 3.87Å; L396-Q412 HydrophobicContact CD1-CG 3.93Å; L396-Q412 HydrophobicContact CG-CG 4.41Å; M399-Q412 HydrophobicContact CE-CB 4.18Å; A408-Q412 PolarHBondContact O-N 3.23Å; I409-Q412 CarbonylContact O-C 3.47Å; I409-Q412 PolarHBondContact O-N 2.87Å; I409-Q412 VanDerWaalsContact O-N 3.09Å; E410-Q412 VanDerWaalsContact C-N 3.26Å; E410-Q412 PolarHBondContact O-N 3.44Å; Q412-R414 VanDerWaalsContact C-N 3.26Å; Q412-R414 PolarHBondContact O-N 2.78Å; Q412-L415 CarbonylContact O-C 3.39Å; Q412-L415 WeakPolarHBondContact O-CB 3.46Å; Q412-L415 PolarHBondContact O-N 3.12Å; Q412-L415 VanDerWaalsContact O-N 3.07Å; Q412-C416 WeakPolarHBondContact O-CB 3.27Å; Q412-C416 PolarHBondContact O-N 3.43Å
413I90.2Very high84Confident18 Ų1872.8 Ų72.89%0.09237%0.369CS..Hα-helixtrans-56-43.4170.2-72.3167.7000110L396 I409 E410 L415 C416 A417 L432 P435 V436 K439L396-I413 HydrophobicContact CD1-CG1 3.77Å; L396-I413 HydrophobicContact CD2-CG1 4.11Å; I409-I413 HydrophobicContact CG2-CD1 3.76Å; I409-I413 HydrophobicContact CG2-CG1 4.2Å; I409-I413 VanDerWaalsContact O-CG1 3.3Å; I409-I413 WeakPolarHBondContact O-CG1 3.49Å; I409-I413 PolarHBondContact O-N 2.96Å; E410-I413 PolarHBondContact O-N 3.3Å; I413-L415 VanDerWaalsContact C-N 3.34Å; I413-L415 PolarHBondContact O-N 2.82Å; I413-C416 PolarHBondContact O-N 3.06Å; I413-A417 VanDerWaalsContact O-CB 3.24Å; I413-A417 WeakPolarHBondContact O-CB 3.13Å; I413-A417 PolarHBondContact O-N 3.16Å; I413-L432 HydrophobicContact CD1-CD2 4.34Å; I413-L432 HydrophobicContact CG1-CD2 4.49Å; I413-P435 HydrophobicContact CD1-CB 3.83Å; I413-P435 HydrophobicContact CG2-CB 4.17Å; I413-V436 HydrophobicContact CB-CG2 4.41Å; I413-V436 HydrophobicContact CG1-CG2 4.29Å; I413-V436 HydrophobicContact CG2-CG2 3.96Å; I413-K439 HydrophobicContact CG2-CB 4.3Å
414R86Confident84.1Confident82 Ų8270.1 Ų70.131%0.30935%0.354SS..Hα-helixtrans-64.3-36.6175.9-69179.2-157.8168.66.8113.1E410 T411 Q412 K418 K439 F443E410-R414 WeakPolarHBondContact O-CG 3.34Å; E410-R414 PolarHBondContact O-N 3.06Å; E410-R414 VanDerWaalsContact O-N 3.08Å; E410-R414 IonicContact OE1-CZ 2.77Å; E410-R414 IonicContact OE1-NE 3.39Å; E410-R414 IonicContact OE1-NH2 3.45Å; E410-R414 PolarHBondContact OE1-NH2 3.18Å; T411-R414 WeakPolarHBondContact O-CB 2.95Å; T411-R414 PolarHBondContact O-N 3.3Å; Q412-R414 VanDerWaalsContact C-N 3.26Å; Q412-R414 PolarHBondContact O-N 2.78Å; R414-K418 WeakPolarHBondContact O-CG 3.31Å; R414-K418 PolarHBondContact O-N 3.33Å; R414-K439 HydrophobicContact CG-CD 4.05Å; R414-K439 HydrophobicContact CG-CG 3.95Å; R414-F443 HydrophobicContact CB-CE2 4.49Å; R414-F443 HydrophobicContact CB-CZ 4.41Å
415L85.6Confident84.5Confident70 Ų7062 Ų6237%0.36632%0.324SS..Hα-helixtrans-68.2-50.1174.8-97.9119.2000110.5V392 T411 Q412 I413 A417 K418 F419V392-L415 HydrophobicContact CG1-CB 3.73Å; V392-L415 HydrophobicContact CG1-CD2 4.4Å; T411-L415 PolarHBondContact O-N 2.81Å; T411-L415 VanDerWaalsContact O-N 3.16Å; Q412-L415 CarbonylContact O-C 3.39Å; Q412-L415 WeakPolarHBondContact O-CB 3.46Å; Q412-L415 PolarHBondContact O-N 3.12Å; Q412-L415 VanDerWaalsContact O-N 3.07Å; I413-L415 VanDerWaalsContact C-N 3.34Å; I413-L415 PolarHBondContact O-N 2.82Å; L415-A417 VanDerWaalsContact C-N 3.34Å; L415-A417 PolarHBondContact O-N 3.41Å; L415-K418 WeakPolarHBondContact O-CB 3.46Å; L415-K418 PolarHBondContact O-N 3.09Å; L415-K418 VanDerWaalsContact O-N 3.09Å; L415-F419 HydrophobicContact CD2-CE2 4.17Å; L415-F419 WeakPolarHBondContact O-CD2 3.5Å; L415-F419 PolarHBondContact O-N 3.08Å
416C86.7Confident84.9Confident0 Ų059.5 Ų59.50%031%0.31CS..Hα-helixtrans-51.8-52.2174-78.90000111.2V392 L396 Q412 I413 K418 F419 I420 V436V392-C416 PolarHBondContact O-SG 3.16Å; L396-C416 HydrophobicContact CD2-CB 4.12Å; L396-C416 VanDerWaalsContact CD2-SG 3.58Å; Q412-C416 WeakPolarHBondContact O-CB 3.27Å; Q412-C416 PolarHBondContact O-N 3.43Å; I413-C416 PolarHBondContact O-N 3.06Å; C416-K418 PolarHBondContact O-N 3.18Å; C416-F419 PolarHBondContact O-N 2.75Å; C416-I420 HydrophobicContact CB-CD1 3.77Å; C416-I420 VanDerWaalsContact O-CB 3.29Å; C416-I420 WeakPolarHBondContact O-CB 3.32Å; C416-I420 PolarHBondContact O-N 3.33Å; C416-V436 HydrophobicContact CB-CG1 4.15Å; C416-V436 HydrophobicContact CB-CG2 4.11Å
417A89.2Confident85.1Confident4 Ų461.4 Ų61.43%0.03332%0.316CS..Hα-helixtrans-58.9-22.8-179.200000114.6I413 L415 V436 K439 K440 F443I413-A417 VanDerWaalsContact O-CB 3.24Å; I413-A417 WeakPolarHBondContact O-CB 3.13Å; I413-A417 PolarHBondContact O-N 3.16Å; L415-A417 VanDerWaalsContact C-N 3.34Å; L415-A417 PolarHBondContact O-N 3.41Å; A417-V436 HydrophobicContact CB-CG1 4.23Å; A417-V436 WeakPolarHBondContact CB-O 3.29Å; A417-K439 HydrophobicContact CB-CB 3.75Å; A417-K439 HydrophobicContact CB-CG 4.14Å; A417-K440 HydrophobicContact CB-CB 4.14Å; A417-K440 WeakPolarHBondContact O-CG 3.38Å; A417-F443 HydrophobicContact CB-CD2 4.3Å; A417-F443 HydrophobicContact CB-CE2 4.27Å
418K86.3Confident85.6Confident134 Ų13456.8 Ų56.858%0.58329%0.286SS*.Hα-helixtrans-82.6-31.5175.6-77179.6177.5-174.40113.8R414 L415 C416 F443R414-K418 WeakPolarHBondContact O-CG 3.31Å; R414-K418 PolarHBondContact O-N 3.33Å; L415-K418 WeakPolarHBondContact O-CB 3.46Å; L415-K418 PolarHBondContact O-N 3.09Å; L415-K418 VanDerWaalsContact O-N 3.09Å; C416-K418 PolarHBondContact O-N 3.18Å; K418-F443 HydrophobicContact CD-CZ 4.44Å; K418-F443 HydrophobicContact CG-CD2 4.16Å; K418-F443 HydrophobicContact CG-CE2 3.85Å; K418-F443 HydrophobicContact CG-CZ 4.14Å
419F83.9Confident85.8Confident141 Ų14157 Ų5762%0.61829%0.285SS*.Hα-helixtrans-117.6-17.4-165.5-63.9-67.4000114.4L415 C416L415-F419 HydrophobicContact CD2-CE2 4.17Å; L415-F419 WeakPolarHBondContact O-CD2 3.5Å; L415-F419 PolarHBondContact O-N 3.08Å; C416-F419 PolarHBondContact O-N 2.75Å
420I84.7Confident85.7Confident6 Ų661.2 Ų61.23%0.03131%0.31CS..  trans-85.4135.4-177.8-84.9174.2000111.5P390 A393 C416 D424 I425 L428 K440P390-I420 HydrophobicContact CG-CG1 4.45Å; A393-I420 HydrophobicContact CB-CD1 3.38Å; A393-I420 HydrophobicContact CB-CG1 4.28Å; C416-I420 HydrophobicContact CB-CD1 3.77Å; C416-I420 VanDerWaalsContact O-CB 3.29Å; C416-I420 WeakPolarHBondContact O-CB 3.32Å; C416-I420 PolarHBondContact O-N 3.33Å; I420-D424 HydrophobicContact CG2-CB 3.9Å; I420-I425 HydrophobicContact CG2-CB 4.4Å; I420-I425 HydrophobicContact CG2-CD1 4.34Å; I420-I425 HydrophobicContact CG2-CG1 3.37Å; I420-L428 HydrophobicContact CD1-CD1 4.4Å; I420-K440 PolarHBondContact O-NZ 3.04Å
421S84.1Confident85.8Confident47 Ų4761.5 Ų61.533%0.32931%0.312SS..  trans-71157.2171750000110.9I423 D424 I425S421-I423 PolarHBondContact O-N 3.46Å; S421-D424 PolarHBondContact O-N 3.45Å; S421-D424 VanDerWaalsContact O-N 3.07Å; S421-D424 WeakPolarHBondContact OG-CB 3.31Å; S421-D424 PolarHBondContact OG-N 3.04Å; S421-D424 VanDerWaalsContact OG-N 3.13Å; S421-D424 PolarHBondContact OG-OD2 2.84Å; S421-I425 WeakPolarHBondContact O-CG1 3.5Å; S421-I425 PolarHBondContact O-N 2.79Å; S421-I425 VanDerWaalsContact O-N 3.15Å
422D83.1Confident85.8Confident104 Ų10458 Ų5856%0.55629%0.29SS*.Hα-helixtrans-63.3-29.3179-62.3-52.4000112.5I425 K440D422-I425 PolarHBondContact O-N 2.64Å; D422-K440 WeakPolarHBondContact OD1-CE 3.49Å; D422-K440 IonicContact OD1-NZ 2.64Å; D422-K440 PolarHBondContact OD1-NZ 3.34Å; D422-K440 IonicContact OD2-NZ 3.13Å; D422-K440 PolarHBondContact OD2-NZ 3.09Å
423I86Confident86Confident125 Ų12560.5 Ų60.564%0.64130%0.299SS*.Hα-helixtrans-65.1-41.7173.1-60.3170000110.6S421 I425 L426S421-I423 PolarHBondContact O-N 3.46Å; I423-I425 VanDerWaalsContact C-N 3.32Å; I423-I425 PolarHBondContact O-N 3.01Å; I423-L426 WeakPolarHBondContact O-CB 3.5Å; I423-L426 PolarHBondContact O-N 3.15Å
424D86Confident85.9Confident29 Ų2964.8 Ų64.816%0.15532%0.321CS..Hα-helixtrans-73.7-22.4179.8-66.9-45.6000112.9I420 S421 L426 K427I420-D424 HydrophobicContact CG2-CB 3.9Å; S421-D424 PolarHBondContact O-N 3.45Å; S421-D424 VanDerWaalsContact O-N 3.07Å; S421-D424 WeakPolarHBondContact OG-CB 3.31Å; S421-D424 PolarHBondContact OG-N 3.04Å; S421-D424 VanDerWaalsContact OG-N 3.13Å; S421-D424 PolarHBondContact OG-OD2 2.84Å; D424-L426 VanDerWaalsContact C-N 3.26Å; D424-L426 PolarHBondContact O-N 2.95Å; D424-K427 PolarHBondContact O-N 2.89Å; D424-K427 IonicContact OD1-NZ 2.71Å; D424-K427 PolarHBondContact OD1-NZ 2.75Å
425I85.8Confident86Confident1 Ų163.3 Ų63.31%0.00532%0.323CS..Hα-helixtrans-61.7-37.5171.6-60.7178.2000110.2I420 S421 D422 I423 K427 L428 R433 V436 K440I420-I425 HydrophobicContact CG2-CB 4.4Å; I420-I425 HydrophobicContact CG2-CD1 4.34Å; I420-I425 HydrophobicContact CG2-CG1 3.37Å; S421-I425 WeakPolarHBondContact O-CG1 3.5Å; S421-I425 PolarHBondContact O-N 2.79Å; S421-I425 VanDerWaalsContact O-N 3.15Å; D422-I425 PolarHBondContact O-N 2.64Å; I423-I425 VanDerWaalsContact C-N 3.32Å; I423-I425 PolarHBondContact O-N 3.01Å; I425-K427 PolarHBondContact O-N 3.02Å; I425-L428 WeakPolarHBondContact O-CB 3.04Å; I425-L428 PolarHBondContact O-N 3.12Å; I425-R433 HydrophobicContact CG2-CB 4.16Å; I425-R433 HydrophobicContact CG2-CG 4.41Å; I425-R433 WeakPolarHBondContact O-CG 3.33Å; I425-V436 HydrophobicContact CD1-CG1 4.27Å; I425-V436 HydrophobicContact CG1-CG1 4.25Å; I425-K440 HydrophobicContact CD1-CD 4.09Å
426L85.1Confident86.2Confident98 Ų9860 Ų6051%0.51331%0.305SS..THydrogen-bonded Turntrans-63.8-23.3178.7-62.7174.5000112.7I423 D424 L428 R433I423-L426 WeakPolarHBondContact O-CB 3.5Å; I423-L426 PolarHBondContact O-N 3.15Å; D424-L426 VanDerWaalsContact C-N 3.26Å; D424-L426 PolarHBondContact O-N 2.95Å; L426-L428 VanDerWaalsContact C-N 3.34Å; L426-R433 PolarHBondContact O-NE 3.11Å; L426-R433 PolarHBondContact O-NH2 3.29Å
427K85.9Confident86.4Confident88 Ų8865.2 Ų65.238%0.38333%0.325SS..THydrogen-bonded Turntrans-82.9-9.1176.8-55.9175.8-176.3159.80113.5L389 D424 I425L389-K427 HydrophobicContact CD1-CB 3.86Å; L389-K427 HydrophobicContact CD1-CD 3.86Å; L389-K427 HydrophobicContact CD2-CB 4.06Å; L389-K427 HydrophobicContact CG-CB 4.15Å; L389-K427 HydrophobicContact CG-CD 4.12Å; D424-K427 PolarHBondContact O-N 2.89Å; D424-K427 IonicContact OD1-NZ 2.71Å; D424-K427 PolarHBondContact OD1-NZ 2.75Å; I425-K427 PolarHBondContact O-N 3.02Å
428L87.3Confident86.3Confident1 Ų168.5 Ų68.51%0.00535%0.348CS..SBendtrans-74.7154.8174.7-68.2170.5000110.9L389 A393 I397 I420 I425 L426 L432 R433 V436L389-L428 HydrophobicContact CD2-CD2 4.27Å; A393-L428 HydrophobicContact CB-CD2 4.2Å; I397-L428 HydrophobicContact CD1-CD2 4.05Å; I397-L428 HydrophobicContact CG1-CD2 3.94Å; I420-L428 HydrophobicContact CD1-CD1 4.4Å; I425-L428 WeakPolarHBondContact O-CB 3.04Å; I425-L428 PolarHBondContact O-N 3.12Å; L426-L428 VanDerWaalsContact C-N 3.34Å; L428-L432 HydrophobicContact CB-CB 4.39Å; L428-R433 HydrophobicContact CB-CG 4.23Å; L428-R433 PolarHBondContact O-NE 2.86Å; L428-R433 PolarHBondContact O-NH2 2.97Å; L428-R433 VanDerWaalsContact O-NH2 3.12Å; L428-V436 HydrophobicContact CD1-CB 4.28Å; L428-V436 HydrophobicContact CD1-CG1 4.33Å; L428-V436 HydrophobicContact CD1-CG2 3.99Å
429P84.3Confident86.5Confident40 Ų4065.2 Ų65.226%0.2633%0.334SS..  trans-52.1143.5166.5-25.133.9000111.3I397 E431 L432 R433I397-P429 HydrophobicContact CG1-CG 4.18Å; I397-P429 HydrophobicContact CG2-CG 4.36Å; P429-E431 WeakPolarHBondContact CB-OE2 3.07Å; P429-E431 PolarHBondContact O-N 2.87Å; P429-E431 VanDerWaalsContact O-N 3.13Å; P429-L432 HydrophobicContact CG-CD1 4.21Å; P429-L432 PolarHBondContact O-N 3.04Å; P429-R433 WeakPolarHBondContact O-CG 3.4Å; P429-R433 PolarHBondContact O-N 3Å
430V84.8Confident86.8Confident97 Ų9761 Ų6159%0.58832%0.315SS*.Hα-helixtrans-53.7-38.7-172178.80000111.4L432 R433V430-L432 PolarHBondContact O-N 3.18Å; V430-R433 PolarHBondContact O-N 2.79Å
431E85.5Confident87Confident107 Ų10766.4 Ų66.450%0.534%0.34SS..Hα-helixtrans-66.9-22.2-179-50.492.8156.400113.7F400 P429 P435F400-E431 HydrophobicContact CE1-CB 4.01Å; F400-E431 HydrophobicContact CE1-CG 4.45Å; F400-E431 HydrophobicContact CZ-CB 3.73Å; F400-E431 HydrophobicContact CZ-CG 4.4Å; P429-E431 WeakPolarHBondContact CB-OE2 3.07Å; P429-E431 PolarHBondContact O-N 2.87Å; P429-E431 VanDerWaalsContact O-N 3.13Å; E431-P435 VanDerWaalsContact O-CD 3.27Å; E431-P435 WeakPolarHBondContact O-CD 3.22Å; E431-P435 WeakPolarHBondContact O-CG 3.39Å
432L86.2Confident87Confident2 Ų266.4 Ų66.41%0.0134%0.343CS..Hα-helixtrans-97.6-14.5-179.4-71.8173.9000113.4L396 F400 I413 L428 P429 V430 V436L396-L432 HydrophobicContact CD1-CD2 4.24Å; L396-L432 HydrophobicContact CD2-CD1 4.15Å; L396-L432 HydrophobicContact CD2-CD2 4.24Å; L396-L432 HydrophobicContact CG-CD1 3.88Å; L396-L432 HydrophobicContact CG-CD2 4.23Å; F400-L432 HydrophobicContact CB-CD1 3.83Å; F400-L432 HydrophobicContact CB-CD2 4.39Å; F400-L432 HydrophobicContact CB-CG 4.46Å; F400-L432 HydrophobicContact CD1-CD1 4.05Å; F400-L432 HydrophobicContact CD1-CG 4.15Å; F400-L432 HydrophobicContact CD2-CD1 4.35Å; F400-L432 HydrophobicContact CD2-CD2 3.58Å; F400-L432 HydrophobicContact CD2-CG 4.07Å; F400-L432 HydrophobicContact CE1-CG 4.41Å; F400-L432 HydrophobicContact CE2-CD2 3.91Å; F400-L432 HydrophobicContact CE2-CG 4.34Å; F400-L432 HydrophobicContact CG-CD1 3.83Å; F400-L432 HydrophobicContact CG-CD2 3.94Å; F400-L432 HydrophobicContact CG-CG 3.97Å; F400-L432 HydrophobicContact CZ-CG 4.5Å; I413-L432 HydrophobicContact CD1-CD2 4.34Å; I413-L432 HydrophobicContact CG1-CD2 4.49Å; L428-L432 HydrophobicContact CB-CB 4.39Å; P429-L432 HydrophobicContact CG-CD1 4.21Å; P429-L432 PolarHBondContact O-N 3.04Å; V430-L432 PolarHBondContact O-N 3.18Å; L432-V436 WeakPolarHBondContact O-CB 3.47Å; L432-V436 VanDerWaalsContact O-CG2 3.24Å; L432-V436 WeakPolarHBondContact O-CG2 3.2Å; L432-V436 PolarHBondContact O-N 3.32Å
433R90.5Very high87.2Confident77 Ų7764.5 Ų64.529%0.29133%0.33SS..Hα-helixtrans-63.2-51.7-177.9-63.6-175.8-172.9172.43.1111.4I425 L426 L428 P429 V430 V436 R437I425-R433 HydrophobicContact CG2-CB 4.16Å; I425-R433 HydrophobicContact CG2-CG 4.41Å; I425-R433 WeakPolarHBondContact O-CG 3.33Å; L426-R433 PolarHBondContact O-NE 3.11Å; L426-R433 PolarHBondContact O-NH2 3.29Å; L428-R433 HydrophobicContact CB-CG 4.23Å; L428-R433 PolarHBondContact O-NE 2.86Å; L428-R433 PolarHBondContact O-NH2 2.97Å; L428-R433 VanDerWaalsContact O-NH2 3.12Å; P429-R433 WeakPolarHBondContact O-CG 3.4Å; P429-R433 PolarHBondContact O-N 3Å; V430-R433 PolarHBondContact O-N 2.79Å; R433-V436 PolarHBondContact O-N 3.13Å; R433-R437 VanDerWaalsContact O-CB 3.28Å; R433-R437 WeakPolarHBondContact O-CB 3.4Å; R433-R437 PolarHBondContact O-N 2.94Å
434D87.6Confident87.1Confident107 Ų10761.5 Ų61.557%0.57232%0.324SS*.Hα-helixtrans-68.3-43.7-176-62.2-27.8000113.1V436 R437 S438D434-V436 VanDerWaalsContact C-N 3.34Å; D434-V436 PolarHBondContact O-N 3.39Å; D434-R437 PolarHBondContact O-N 3.39Å; D434-S438 VanDerWaalsContact O-CB 3.24Å; D434-S438 WeakPolarHBondContact O-CB 3.46Å; D434-S438 PolarHBondContact O-N 2.75Å
435P87Confident87Confident52 Ų5264.6 Ų64.634%0.33834%0.336SS..Hα-helixtrans-59.2-41.7174.4-2634.2000113.6I413 E431 K439I413-P435 HydrophobicContact CD1-CB 3.83Å; I413-P435 HydrophobicContact CG2-CB 4.17Å; E431-P435 VanDerWaalsContact O-CD 3.27Å; E431-P435 WeakPolarHBondContact O-CD 3.22Å; E431-P435 WeakPolarHBondContact O-CG 3.39Å; P435-K439 WeakPolarHBondContact O-CB 3.24Å; P435-K439 PolarHBondContact O-N 3.49Å; P435-K439 VanDerWaalsContact O-N 3.1Å
436V90.6Very high86.8Confident0 Ų070.8 Ų70.80%036%0.363CS..Hα-helixtrans-68.9-43.3178.2174.30000110.7L396 I413 C416 A417 I425 L428 L432 R433 D434 K439 K440L396-V436 HydrophobicContact CD2-CG2 3.84Å; I413-V436 HydrophobicContact CB-CG2 4.41Å; I413-V436 HydrophobicContact CG1-CG2 4.29Å; I413-V436 HydrophobicContact CG2-CG2 3.96Å; C416-V436 HydrophobicContact CB-CG1 4.15Å; C416-V436 HydrophobicContact CB-CG2 4.11Å; A417-V436 HydrophobicContact CB-CG1 4.23Å; A417-V436 WeakPolarHBondContact CB-O 3.29Å; I425-V436 HydrophobicContact CD1-CG1 4.27Å; I425-V436 HydrophobicContact CG1-CG1 4.25Å; L428-V436 HydrophobicContact CD1-CB 4.28Å; L428-V436 HydrophobicContact CD1-CG1 4.33Å; L428-V436 HydrophobicContact CD1-CG2 3.99Å; L432-V436 WeakPolarHBondContact O-CB 3.47Å; L432-V436 VanDerWaalsContact O-CG2 3.24Å; L432-V436 WeakPolarHBondContact O-CG2 3.2Å; L432-V436 PolarHBondContact O-N 3.32Å; R433-V436 PolarHBondContact O-N 3.13Å; D434-V436 VanDerWaalsContact C-N 3.34Å; D434-V436 PolarHBondContact O-N 3.39Å; V436-K439 PolarHBondContact O-N 2.95Å; V436-K440 WeakPolarHBondContact O-CB 3.48Å; V436-K440 PolarHBondContact O-N 3.46Å
437R90.3Very high86.8Confident109 Ų10973.9 Ų73.941%0.41137%0.372SS..Hα-helixtrans-62-51.2176.8-172.7-177.6-65.1-159.7-0.2111.9R433 D434 K439 K440 E441R433-R437 VanDerWaalsContact O-CB 3.28Å; R433-R437 WeakPolarHBondContact O-CB 3.4Å; R433-R437 PolarHBondContact O-N 2.94Å; D434-R437 PolarHBondContact O-N 3.39Å; R437-K439 VanDerWaalsContact C-N 3.27Å; R437-K439 PolarHBondContact O-N 3.4Å; R437-K440 WeakPolarHBondContact O-CA 3.3Å; R437-K440 WeakPolarHBondContact O-CB 2.98Å; R437-K440 PolarHBondContact O-N 3.43Å; R437-E441 PolarHBondContact O-N 2.96Å
438S88.4Confident86.8Confident74 Ų7476.3 Ų76.352%0.51738%0.383SS..Hα-helixtrans-56.9-40.8177.4-179.80000111.9D434 E441 A442D434-S438 VanDerWaalsContact O-CB 3.24Å; D434-S438 WeakPolarHBondContact O-CB 3.46Å; D434-S438 PolarHBondContact O-N 2.75Å; S438-E441 PolarHBondContact O-N 3.09Å; S438-A442 WeakPolarHBondContact O-CB 3.32Å; S438-A442 PolarHBondContact O-N 2.93Å
439K90.4Very high86.5Confident65 Ų6577.4 Ų77.428%0.28339%0.389SS..Hα-helixtrans-69.6-35.5176.8-156.976.6-160.7175.70112.7I413 R414 A417 P435 V436 R437 A442 F443I413-K439 HydrophobicContact CG2-CB 4.3Å; R414-K439 HydrophobicContact CG-CD 4.05Å; R414-K439 HydrophobicContact CG-CG 3.95Å; A417-K439 HydrophobicContact CB-CB 3.75Å; A417-K439 HydrophobicContact CB-CG 4.14Å; P435-K439 WeakPolarHBondContact O-CB 3.24Å; P435-K439 PolarHBondContact O-N 3.49Å; P435-K439 VanDerWaalsContact O-N 3.1Å; V436-K439 PolarHBondContact O-N 2.95Å; R437-K439 VanDerWaalsContact C-N 3.27Å; R437-K439 PolarHBondContact O-N 3.4Å; K439-A442 PolarHBondContact O-N 2.82Å; K439-F443 HydrophobicContact CG-CD2 4.27Å; K439-F443 HydrophobicContact CG-CE2 3.8Å; K439-F443 WeakPolarHBondContact O-CD2 3.31Å; K439-F443 PolarHBondContact O-N 3.32Å
440K90.3Very high86.4Confident51 Ų5180.8 Ų80.822%0.22240%0.404CS..Hα-helixtrans-65-44.2176-171.9171.5178.9-178.10110.9A417 I420 D422 I425 V436 R437 A442 F443 A444A417-K440 HydrophobicContact CB-CB 4.14Å; A417-K440 WeakPolarHBondContact O-CG 3.38Å; I420-K440 PolarHBondContact O-NZ 3.04Å; D422-K440 WeakPolarHBondContact OD1-CE 3.49Å; D422-K440 IonicContact OD1-NZ 2.64Å; D422-K440 PolarHBondContact OD1-NZ 3.34Å; D422-K440 IonicContact OD2-NZ 3.13Å; D422-K440 PolarHBondContact OD2-NZ 3.09Å; I425-K440 HydrophobicContact CD1-CD 4.09Å; V436-K440 WeakPolarHBondContact O-CB 3.48Å; V436-K440 PolarHBondContact O-N 3.46Å; R437-K440 WeakPolarHBondContact O-CA 3.3Å; R437-K440 WeakPolarHBondContact O-CB 2.98Å; R437-K440 PolarHBondContact O-N 3.43Å; K440-A442 PolarHBondContact O-N 3.03Å; K440-F443 PolarHBondContact O-N 3.34Å; K440-A444 PolarHBondContact O-N 3.01Å
441E87.2Confident86.5Confident120 Ų12080.4 Ų80.456%0.56141%0.411SS*.Hα-helixtrans-60.3-43.2172.6-70.9170.7-171.900112R437 S438 F443 A444 F445R437-E441 PolarHBondContact O-N 2.96Å; S438-E441 PolarHBondContact O-N 3.09Å; E441-F443 VanDerWaalsContact C-N 3.3Å; E441-F443 PolarHBondContact O-N 3.19Å; E441-A444 PolarHBondContact O-N 2.83Å; E441-F445 WeakPolarHBondContact O-CB 3.35Å; E441-F445 PolarHBondContact O-N 3.2Å
442A84.2Confident86.7Confident48 Ų4877.4 Ų77.440%0.39740%0.398SS..Hα-helixtrans-61.5-36.7175.900000112.7S438 K439 K440 K446S438-A442 WeakPolarHBondContact O-CB 3.32Å; S438-A442 PolarHBondContact O-N 2.93Å; K439-A442 PolarHBondContact O-N 2.82Å; K440-A442 PolarHBondContact O-N 3.03Å; A442-K446 WeakPolarHBondContact O-CB 3.01Å; A442-K446 PolarHBondContact O-N 3.15Å
443F87.1Confident86.8Confident64 Ų6479.4 Ų79.428%0.28141%0.412SS..Hα-helixtrans-68.6-43.9173.1-75.7-57.5000112R414 A417 K418 K439 K440 E441 F445 K446 K447R414-F443 HydrophobicContact CB-CE2 4.49Å; R414-F443 HydrophobicContact CB-CZ 4.41Å; A417-F443 HydrophobicContact CB-CD2 4.3Å; A417-F443 HydrophobicContact CB-CE2 4.27Å; K418-F443 HydrophobicContact CD-CZ 4.44Å; K418-F443 HydrophobicContact CG-CD2 4.16Å; K418-F443 HydrophobicContact CG-CE2 3.85Å; K418-F443 HydrophobicContact CG-CZ 4.14Å; K439-F443 HydrophobicContact CG-CD2 4.27Å; K439-F443 HydrophobicContact CG-CE2 3.8Å; K439-F443 WeakPolarHBondContact O-CD2 3.31Å; K439-F443 PolarHBondContact O-N 3.32Å; K440-F443 PolarHBondContact O-N 3.34Å; E441-F443 VanDerWaalsContact C-N 3.3Å; E441-F443 PolarHBondContact O-N 3.19Å; F443-F445 VanDerWaalsContact C-N 3.32Å; F443-F445 PolarHBondContact O-N 3.2Å; F443-K446 PolarHBondContact O-N 3.39Å; F443-K447 PolarHBondContact O-N 3.37Å
444A85.3Confident86.6Confident61 Ų6179.8 Ų79.850%0.50442%0.424SS..Hα-helixtrans-59.7-43.817600000111.3K440 E441 K447 K448K440-A444 PolarHBondContact O-N 3.01Å; E441-A444 PolarHBondContact O-N 2.83Å; A444-K447 WeakPolarHBondContact O-CB 3.31Å; A444-K447 PolarHBondContact O-N 2.87Å; A444-K448 PolarHBondContact O-N 3.35Å
445F82.9Confident86.4Confident94 Ų9479.4 Ų79.441%0.41243%0.425SS..Hα-helixtrans-63.2-44.2176-177.3-105.6000112.4E441 F443 K447 K448 L449 M464E441-F445 WeakPolarHBondContact O-CB 3.35Å; E441-F445 PolarHBondContact O-N 3.2Å; F443-F445 VanDerWaalsContact C-N 3.32Å; F443-F445 PolarHBondContact O-N 3.2Å; F445-K447 VanDerWaalsContact C-N 3.26Å; F445-K447 PolarHBondContact O-N 3.04Å; F445-K448 WeakPolarHBondContact O-CB 3.2Å; F445-K448 PolarHBondContact O-N 3.13Å; F445-K448 VanDerWaalsContact O-N 3.16Å; F445-L449 HydrophobicContact CD1-CD1 3.76Å; F445-L449 HydrophobicContact CE1-CD1 3.25Å; F445-L449 HydrophobicContact CE1-CG 4.03Å; F445-L449 HydrophobicContact CZ-CD1 3.79Å; F445-L449 HydrophobicContact CZ-CG 4.09Å; F445-L449 PolarHBondContact O-N 2.98Å; F445-M464 HydrophobicContact CE1-CE 3.49Å; F445-M464 VanDerWaalsContact CE1-CE 3.49Å; F445-M464 HydrophobicContact CZ-CE 3.47Å; F445-M464 VanDerWaalsContact CZ-CE 3.47Å
446K82Confident86.4Confident131 Ų13181.8 Ų81.857%0.5743%0.432SS*.Hα-helixtrans-60.8-37.7174.8-171.8177.4-179.7-179.10111.6A442 F443 L450A442-K446 WeakPolarHBondContact O-CB 3.01Å; A442-K446 PolarHBondContact O-N 3.15Å; F443-K446 PolarHBondContact O-N 3.39Å; K446-L450 HydrophobicContact CG-CD1 4.35Å; K446-L450 WeakPolarHBondContact O-CB 3.19Å; K446-L450 VanDerWaalsContact O-CG 3.3Å; K446-L450 WeakPolarHBondContact O-CG 3.35Å; K446-L450 PolarHBondContact O-N 2.9Å
447K85.6Confident86.2Confident164 Ų16484.8 Ų84.871%0.71344%0.443SS*.Hα-helixtrans-66.2-42174.8-165.8179.3178.7-175.50111.3F443 A444 F445 L450 A451F443-K447 PolarHBondContact O-N 3.37Å; A444-K447 WeakPolarHBondContact O-CB 3.31Å; A444-K447 PolarHBondContact O-N 2.87Å; F445-K447 VanDerWaalsContact C-N 3.26Å; F445-K447 PolarHBondContact O-N 3.04Å; K447-L450 WeakPolarHBondContact O-CB 3.39Å; K447-L450 PolarHBondContact O-N 3.41Å; K447-L450 VanDerWaalsContact O-N 3.14Å; K447-A451 PolarHBondContact O-N 3.26Å
448K86.3Confident85.8Confident139 Ų13986.7 Ų86.760%0.60446%0.455SS*.Hα-helixtrans-59.7-46.9173.9-163.8-175.9179.2176.50111.7A444 F445 L450 A451 M452A444-K448 PolarHBondContact O-N 3.35Å; F445-K448 WeakPolarHBondContact O-CB 3.2Å; F445-K448 PolarHBondContact O-N 3.13Å; F445-K448 VanDerWaalsContact O-N 3.16Å; K448-L450 VanDerWaalsContact C-N 3.27Å; K448-L450 PolarHBondContact O-N 2.86Å; K448-A451 PolarHBondContact O-N 2.89Å; K448-M452 HydrophobicContact CD-CE 4.06Å; K448-M452 HydrophobicContact CG-CE 3.77Å; K448-M452 WeakPolarHBondContact O-CG 3.4Å; K448-M452 PolarHBondContact O-N 3.42Å
449L80.1Confident85.6Confident24 Ų2488.8 Ų88.813%0.12646%0.456CS..Hα-helixtrans-58.5-39.5173.4-86.7163.3000112.1F445 A451 M452 R457 L461F445-L449 HydrophobicContact CD1-CD1 3.76Å; F445-L449 HydrophobicContact CE1-CD1 3.25Å; F445-L449 HydrophobicContact CE1-CG 4.03Å; F445-L449 HydrophobicContact CZ-CD1 3.79Å; F445-L449 HydrophobicContact CZ-CG 4.09Å; F445-L449 PolarHBondContact O-N 2.98Å; L449-A451 VanDerWaalsContact C-N 3.33Å; L449-M452 PolarHBondContact O-N 3.25Å; L449-R457 HydrophobicContact CD2-CG 3.74Å; L449-R457 PolarHBondContact O-NE 3.44Å; L449-R457 PolarHBondContact O-NH2 3.43Å; L449-L461 HydrophobicContact CD2-CD2 4.45Å; L449-L461 HydrophobicContact CD2-CG 4.36Å
450L82.7Confident85.4Confident110 Ų11086.7 Ų86.758%0.57645%0.452SS*.Hα-helixtrans-66.4-33.8178.7-77.2168.2000112.8K446 K447 K448 R457K446-L450 HydrophobicContact CG-CD1 4.35Å; K446-L450 WeakPolarHBondContact O-CB 3.19Å; K446-L450 VanDerWaalsContact O-CG 3.3Å; K446-L450 WeakPolarHBondContact O-CG 3.35Å; K446-L450 PolarHBondContact O-N 2.9Å; K447-L450 WeakPolarHBondContact O-CB 3.39Å; K447-L450 PolarHBondContact O-N 3.41Å; K447-L450 VanDerWaalsContact O-N 3.14Å; K448-L450 VanDerWaalsContact C-N 3.27Å; K448-L450 PolarHBondContact O-N 2.86Å; L450-R457 PolarHBondContact O-NH2 3.48Å; L450-R457 VanDerWaalsContact O-NH2 3.1Å
451A86.4Confident85Confident90 Ų9087.8 Ų87.874%0.74446%0.459SS*.Hα-helixtrans-78.4-21.417800000114.6K447 K448 L449K447-A451 PolarHBondContact O-N 3.26Å; K448-A451 PolarHBondContact O-N 2.89Å; L449-A451 VanDerWaalsContact C-N 3.33Å
452M88.7Confident84.7Confident44 Ų4486.9 Ų86.922%0.21746%0.455CS..SBendtrans-72.4152176.6-69.5178.4-154.300112.9K448 L449 Q456 A460K448-M452 HydrophobicContact CD-CE 4.06Å; K448-M452 HydrophobicContact CG-CE 3.77Å; K448-M452 WeakPolarHBondContact O-CG 3.4Å; K448-M452 PolarHBondContact O-N 3.42Å; L449-M452 PolarHBondContact O-N 3.25Å; M452-Q456 HydrophobicContact CB-CB 3.98Å; M452-Q456 HydrophobicContact CG-CB 4.4Å; M452-Q456 HydrophobicContact SD-CB 4.43Å; M452-A460 HydrophobicContact CE-CB 4.49Å; M452-A460 HydrophobicContact SD-CB 4Å
453S90.1Very high84.8Confident44 Ų4490.6 Ų90.631%0.30846%0.464SS..  trans-62.5159.4172.380.20000112T455 Q456 R457S453-T455 PolarHBondContact O-N 2.97Å; S453-T455 PolarHBondContact OG-OG1 2.74Å; S453-T455 VanDerWaalsContact OG-OG1 3.09Å; S453-Q456 VanDerWaalsContact N-OE1 3.17Å; S453-Q456 PolarHBondContact O-N 3.44Å; S453-Q456 WeakPolarHBondContact OG-CB 3.02Å; S453-Q456 WeakPolarHBondContact OG-CG 3.35Å; S453-Q456 PolarHBondContact OG-N 3.19Å; S453-Q456 PolarHBondContact OG-OE1 3.36Å; S453-R457 WeakPolarHBondContact O-CB 3.37Å; S453-R457 PolarHBondContact O-N 2.94Å
454P85Confident84.5Confident85 Ų8590.3 Ų90.355%0.55246%0.464SS*.Hα-helixtrans-54.3-35.5178.7-31.138.5000115.2K458P454-K458 PolarHBondContact O-N 2.89Å
455T82.8Confident84.2Confident98 Ų9895.7 Ų95.760%0.60147%0.472SS*.Hα-helixtrans-75.4-48.9178.538.40000111.1S453 R457 K458 Q459S453-T455 PolarHBondContact O-N 2.97Å; S453-T455 PolarHBondContact OG-OG1 2.74Å; S453-T455 VanDerWaalsContact OG-OG1 3.09Å; T455-R457 VanDerWaalsContact C-N 3.28Å; T455-R457 PolarHBondContact O-N 3.4Å; T455-K458 WeakPolarHBondContact O-CA 3.37Å; T455-K458 WeakPolarHBondContact O-CB 3.32Å; T455-K458 PolarHBondContact O-N 3.17Å; T455-Q459 PolarHBondContact O-N 2.87Å
456Q88.9Confident84.1Confident102 Ų10295.9 Ų95.948%0.47747%0.474SS..Hα-helixtrans-58.1-40.5173.8-73171.9-18.200111.8M452 S453 K458 Q459 A460M452-Q456 HydrophobicContact CB-CB 3.98Å; M452-Q456 HydrophobicContact CG-CB 4.4Å; M452-Q456 HydrophobicContact SD-CB 4.43Å; S453-Q456 VanDerWaalsContact N-OE1 3.17Å; S453-Q456 PolarHBondContact O-N 3.44Å; S453-Q456 WeakPolarHBondContact OG-CB 3.02Å; S453-Q456 WeakPolarHBondContact OG-CG 3.35Å; S453-Q456 PolarHBondContact OG-N 3.19Å; S453-Q456 PolarHBondContact OG-OE1 3.36Å; Q456-K458 VanDerWaalsContact C-N 3.28Å; Q456-K458 PolarHBondContact O-N 3.38Å; Q456-Q459 PolarHBondContact O-N 3.49Å; Q456-A460 WeakPolarHBondContact O-CB 3.42Å; Q456-A460 PolarHBondContact O-N 3.4Å
457R85.6Confident84.1Confident63 Ų6395.9 Ų95.924%0.23847%0.474CS..Hα-helixtrans-61.8-35.6174.6-170.6-178.2-67.4159.516.4111.9L449 L450 S453 T455 L461L449-R457 HydrophobicContact CD2-CG 3.74Å; L449-R457 PolarHBondContact O-NE 3.44Å; L449-R457 PolarHBondContact O-NH2 3.43Å; L450-R457 PolarHBondContact O-NH2 3.48Å; L450-R457 VanDerWaalsContact O-NH2 3.1Å; S453-R457 WeakPolarHBondContact O-CB 3.37Å; S453-R457 PolarHBondContact O-N 2.94Å; T455-R457 VanDerWaalsContact C-N 3.28Å; T455-R457 PolarHBondContact O-N 3.4Å; R457-L461 HydrophobicContact CG-CD1 4.17Å; R457-L461 WeakPolarHBondContact O-CB 3.39Å; R457-L461 WeakPolarHBondContact O-CD1 3.14Å; R457-L461 WeakPolarHBondContact O-CG 2.98Å; R457-L461 PolarHBondContact O-N 3.29Å
458K81.8Confident83.5Confident149 Ų14992.5 Ų92.565%0.64846%0.46SS*.Hα-helixtrans-69.3-45.4177.5-170.8-172.5173.5-165.20110.3P454 T455 Q456 L461 Q462P454-K458 PolarHBondContact O-N 2.89Å; T455-K458 WeakPolarHBondContact O-CA 3.37Å; T455-K458 WeakPolarHBondContact O-CB 3.32Å; T455-K458 PolarHBondContact O-N 3.17Å; Q456-K458 VanDerWaalsContact C-N 3.28Å; Q456-K458 PolarHBondContact O-N 3.38Å; K458-L461 PolarHBondContact O-N 2.79Å; K458-Q462 WeakPolarHBondContact O-CB 3.23Å; K458-Q462 PolarHBondContact O-N 3.43Å
459Q85.3Confident83Confident118 Ų11892 Ų9255%0.55146%0.458SS*.Hα-helixtrans-62.4-50.6176.3-76.6173.4-3100111.7T455 Q456 L461 Q462 E463T455-Q459 PolarHBondContact O-N 2.87Å; Q456-Q459 PolarHBondContact O-N 3.49Å; Q459-L461 VanDerWaalsContact C-N 3.26Å; Q459-L461 PolarHBondContact O-N 2.89Å; Q459-Q462 CarbonylContact O-C 3.56Å; Q459-Q462 WeakPolarHBondContact O-CA 3.35Å; Q459-Q462 WeakPolarHBondContact O-CB 3.29Å; Q459-Q462 PolarHBondContact O-N 3.12Å; Q459-E463 PolarHBondContact O-N 3.32Å
460A84.2Confident82.7Confident22 Ų2295.3 Ų95.318%0.18248%0.475CS..Hα-helixtrans-59.6-33.917800000113.3M452 Q456 M464M452-A460 HydrophobicContact CE-CB 4.49Å; M452-A460 HydrophobicContact SD-CB 4Å; Q456-A460 WeakPolarHBondContact O-CB 3.42Å; Q456-A460 PolarHBondContact O-N 3.4Å; A460-M464 WeakPolarHBondContact O-CB 3.32Å; A460-M464 PolarHBondContact O-N 3.31Å; A460-M464 VanDerWaalsContact O-N 3.11Å
461L82.2Confident82.1Confident74 Ų7494.6 Ų94.639%0.38747%0.469SS..Hα-helixtrans-74.3-29.8173.9-74.6171.5000112.8L449 R457 K458 Q459 M464 R465L449-L461 HydrophobicContact CD2-CD2 4.45Å; L449-L461 HydrophobicContact CD2-CG 4.36Å; R457-L461 HydrophobicContact CG-CD1 4.17Å; R457-L461 WeakPolarHBondContact O-CB 3.39Å; R457-L461 WeakPolarHBondContact O-CD1 3.14Å; R457-L461 WeakPolarHBondContact O-CG 2.98Å; R457-L461 PolarHBondContact O-N 3.29Å; K458-L461 PolarHBondContact O-N 2.79Å; Q459-L461 VanDerWaalsContact C-N 3.26Å; Q459-L461 PolarHBondContact O-N 2.89Å; L461-M464 HydrophobicContact CD2-CE 4.04Å; L461-R465 VanDerWaalsContact O-CG 3.29Å; L461-R465 WeakPolarHBondContact O-CG 3.12Å; L461-R465 PolarHBondContact O-N 3.18Å
462Q81.7Confident81Confident101 Ų10197.6 Ų97.647%0.47246%0.461SS..Hα-helixtrans-73.7-48.7175.6-178.4169.7-14.800110.7K458 Q459 M464 R465 E466K458-Q462 WeakPolarHBondContact O-CB 3.23Å; K458-Q462 PolarHBondContact O-N 3.43Å; Q459-Q462 CarbonylContact O-C 3.56Å; Q459-Q462 WeakPolarHBondContact O-CA 3.35Å; Q459-Q462 WeakPolarHBondContact O-CB 3.29Å; Q459-Q462 PolarHBondContact O-N 3.12Å; Q462-M464 VanDerWaalsContact C-N 3.27Å; Q462-M464 PolarHBondContact O-N 3.17Å; Q462-R465 WeakPolarHBondContact O-CA 3.46Å; Q462-R465 WeakPolarHBondContact O-CB 3.48Å; Q462-R465 PolarHBondContact O-N 3.17Å; Q462-E466 PolarHBondContact NE2-OE1 2.86Å; Q462-E466 PolarHBondContact O-N 3.42Å
463E86.6Confident79.7Confident125 Ų12599.2 Ų99.258%0.58447%0.47SS*.Hα-helixtrans-56-41.2173.1-72.7171.4-174.500111.6Q459 R465 E466 K467Q459-E463 PolarHBondContact O-N 3.32Å; E463-R465 VanDerWaalsContact C-N 3.34Å; E463-R465 PolarHBondContact O-N 3.05Å; E463-E466 PolarHBondContact O-N 3.44Å; E463-K467 VanDerWaalsContact O-CB 3.28Å; E463-K467 WeakPolarHBondContact O-CB 3.35Å; E463-K467 PolarHBondContact O-N 3.29Å
464M80.1Confident78.3Confident58 Ų58102.1 Ų102.129%0.28648%0.479SS..Hα-helixtrans-64.4-37.9175.6-169.7-152.8-59.100112.4F445 A460 L461 Q462 Q468F445-M464 HydrophobicContact CE1-CE 3.49Å; F445-M464 VanDerWaalsContact CE1-CE 3.49Å; F445-M464 HydrophobicContact CZ-CE 3.47Å; F445-M464 VanDerWaalsContact CZ-CE 3.47Å; A460-M464 WeakPolarHBondContact O-CB 3.32Å; A460-M464 PolarHBondContact O-N 3.31Å; A460-M464 VanDerWaalsContact O-N 3.11Å; L461-M464 HydrophobicContact CD2-CE 4.04Å; Q462-M464 VanDerWaalsContact C-N 3.27Å; Q462-M464 PolarHBondContact O-N 3.17Å; M464-Q468 WeakPolarHBondContact O-CB 3.36Å; M464-Q468 WeakPolarHBondContact O-CG 3.45Å; M464-Q468 PolarHBondContact O-N 3.33Å
465R78.9Confident77Confident175 Ų175100.9 Ų100.966%0.6648%0.476SS*.Hα-helixtrans-69.1-39.9176.3-76.3169.5174.8-165-7.2111.5L461 Q462 E463 Q468 K469L461-R465 VanDerWaalsContact O-CG 3.29Å; L461-R465 WeakPolarHBondContact O-CG 3.12Å; L461-R465 PolarHBondContact O-N 3.18Å; Q462-R465 WeakPolarHBondContact O-CA 3.46Å; Q462-R465 WeakPolarHBondContact O-CB 3.48Å; Q462-R465 PolarHBondContact O-N 3.17Å; E463-R465 VanDerWaalsContact C-N 3.34Å; E463-R465 PolarHBondContact O-N 3.05Å; R465-Q468 PolarHBondContact O-N 3.28Å; R465-K469 WeakPolarHBondContact O-CB 3.49Å; R465-K469 PolarHBondContact O-N 2.94Å
466E81.4Confident75.6Confident97 Ų97101 Ų10145%0.45347%0.473SS..Hα-helixtrans-65.8-43.7175.1-74.7170.9-171.500110.7Q462 E463 K469 I470Q462-E466 PolarHBondContact NE2-OE1 2.86Å; Q462-E466 PolarHBondContact O-N 3.42Å; E463-E466 PolarHBondContact O-N 3.44Å; E466-K469 WeakPolarHBondContact O-CB 3.46Å; E466-K469 PolarHBondContact O-N 3.47Å; E466-K469 VanDerWaalsContact O-N 3.15Å; E466-I470 VanDerWaalsContact O-CG1 3.31Å; E466-I470 WeakPolarHBondContact O-CG1 3.29Å; E466-I470 PolarHBondContact O-N 3.24Å
467K81.4Confident74Confident131 Ų131103.4 Ų103.457%0.5748%0.481SS*.Hα-helixtrans-59.9-46.9172.9-169.2-179.4-178.1-170.70112.2E463 K469 I470 E471E463-K467 VanDerWaalsContact O-CB 3.28Å; E463-K467 WeakPolarHBondContact O-CB 3.35Å; E463-K467 PolarHBondContact O-N 3.29Å; K467-K469 VanDerWaalsContact C-N 3.28Å; K467-K469 PolarHBondContact O-N 3.28Å; K467-I470 PolarHBondContact O-N 2.69Å; K467-E471 WeakPolarHBondContact CE-OE1 3.23Å; K467-E471 IonicContact NZ-OE1 3.11Å; K467-E471 WeakPolarHBondContact O-CB 3.37Å; K467-E471 WeakPolarHBondContact O-CG 3.11Å; K467-E471 PolarHBondContact O-N 2.84Å
468Q74.1Confident72.1Confident93 Ų93106.8 Ų106.844%0.43550%0.504SS..Hα-helixtrans-63.3-33.8175-78.3179.70.800112.6M464 R465 R472M464-Q468 WeakPolarHBondContact O-CB 3.36Å; M464-Q468 WeakPolarHBondContact O-CG 3.45Å; M464-Q468 PolarHBondContact O-N 3.33Å; R465-Q468 PolarHBondContact O-N 3.28Å; Q468-R472 WeakPolarHBondContact O-CB 3.37Å; Q468-R472 VanDerWaalsContact O-CG 3.29Å; Q468-R472 WeakPolarHBondContact O-CG 3.48Å; Q468-R472 PolarHBondContact O-N 2.97Å
469K75.2Confident70.6Confident128 Ų128103.5 Ų103.556%0.55749%0.492SS*.Hα-helixtrans-67-45.4174.2-170.9-176.1178-171.90110.4R465 E466 K467 R472 I473R465-K469 WeakPolarHBondContact O-CB 3.49Å; R465-K469 PolarHBondContact O-N 2.94Å; E466-K469 WeakPolarHBondContact O-CB 3.46Å; E466-K469 PolarHBondContact O-N 3.47Å; E466-K469 VanDerWaalsContact O-N 3.15Å; K467-K469 VanDerWaalsContact C-N 3.28Å; K467-K469 PolarHBondContact O-N 3.28Å; K469-R472 PolarHBondContact O-N 3.42Å; K469-I473 HydrophobicContact CG-CD1 4.04Å; K469-I473 WeakPolarHBondContact O-CB 3.16Å; K469-I473 WeakPolarHBondContact O-CD1 3.24Å; K469-I473 WeakPolarHBondContact O-CG1 3.48Å; K469-I473 PolarHBondContact O-N 2.63Å
470I73Confident69.1Low95 Ų95102.8 Ų102.849%0.48749%0.493SS..Hα-helixtrans-63.3-44.8175.9-67.1165.1000110.6E466 K467 R472 I473 Q474E466-I470 VanDerWaalsContact O-CG1 3.31Å; E466-I470 WeakPolarHBondContact O-CG1 3.29Å; E466-I470 PolarHBondContact O-N 3.24Å; K467-I470 PolarHBondContact O-N 2.69Å; I470-R472 PolarHBondContact O-N 3.33Å; I470-I473 CarbonylContact O-C 3.53Å; I470-I473 PolarHBondContact O-N 3.32Å; I470-Q474 HydrophobicContact CG2-CG 4.44Å; I470-Q474 WeakPolarHBondContact O-CB 3.08Å; I470-Q474 WeakPolarHBondContact O-CG 3.49Å; I470-Q474 PolarHBondContact O-N 2.73Å
471E71.4Confident67.8Low94 Ų94103 Ų10344%0.43949%0.49SS..Hα-helixtrans-63.3-37.7176-78.1173.4-178.100112K467 Q474 A475K467-E471 WeakPolarHBondContact CE-OE1 3.23Å; K467-E471 IonicContact NZ-OE1 3.11Å; K467-E471 WeakPolarHBondContact O-CB 3.37Å; K467-E471 WeakPolarHBondContact O-CG 3.11Å; K467-E471 PolarHBondContact O-N 2.84Å; E471-Q474 PolarHBondContact O-N 3.05Å; E471-A475 WeakPolarHBondContact O-CB 3.47Å; E471-A475 PolarHBondContact O-N 2.64Å
472R63.6Low66.6Low153 Ų153106.2 Ų106.258%0.57750%0.504SS*.Hα-helixtrans-68-41.3173-79.3-179.8-173.8-167.80.4112.3Q468 K469 I470 Q474 A475 N476Q468-R472 WeakPolarHBondContact O-CB 3.37Å; Q468-R472 VanDerWaalsContact O-CG 3.29Å; Q468-R472 WeakPolarHBondContact O-CG 3.48Å; Q468-R472 PolarHBondContact O-N 2.97Å; K469-R472 PolarHBondContact O-N 3.42Å; I470-R472 PolarHBondContact O-N 3.33Å; R472-Q474 VanDerWaalsContact C-N 3.32Å; R472-A475 PolarHBondContact O-N 3.24Å; R472-N476 VanDerWaalsContact O-CB 3.31Å; R472-N476 WeakPolarHBondContact O-CB 3.44Å; R472-N476 VanDerWaalsContact O-CG 3.25Å; R472-N476 PolarHBondContact O-N 3.1Å
473I61.3Low65.5Low78 Ų78107.5 Ų107.540%0.451%0.509SS..Hα-helixtrans-63-43.8174.7-69.1165000109.4K469 I470 N476 K477K469-I473 HydrophobicContact CG-CD1 4.04Å; K469-I473 WeakPolarHBondContact O-CB 3.16Å; K469-I473 WeakPolarHBondContact O-CD1 3.24Å; K469-I473 WeakPolarHBondContact O-CG1 3.48Å; K469-I473 PolarHBondContact O-N 2.63Å; I470-I473 CarbonylContact O-C 3.53Å; I470-I473 PolarHBondContact O-N 3.32Å; I473-N476 PolarHBondContact O-N 2.9Å; I473-K477 HydrophobicContact CG2-CD 4.19Å; I473-K477 WeakPolarHBondContact O-CB 3.3Å; I473-K477 VanDerWaalsContact O-CG 3.25Å; I473-K477 WeakPolarHBondContact O-CG 3.43Å; I473-K477 PolarHBondContact O-N 3.24Å
474Q60.1Low64.2Low106 Ų106102.3 Ų102.350%0.49549%0.486SS..Hα-helixtrans-65.2-42.8175-82.2-178.6-18.100111.8I470 E471 R472 N476 K477 L478I470-Q474 HydrophobicContact CG2-CG 4.44Å; I470-Q474 WeakPolarHBondContact O-CB 3.08Å; I470-Q474 WeakPolarHBondContact O-CG 3.49Å; I470-Q474 PolarHBondContact O-N 2.73Å; E471-Q474 PolarHBondContact O-N 3.05Å; R472-Q474 VanDerWaalsContact C-N 3.32Å; Q474-N476 VanDerWaalsContact C-N 3.33Å; Q474-N476 PolarHBondContact O-N 3.14Å; Q474-K477 CarbonylContact O-C 3.54Å; Q474-K477 WeakPolarHBondContact O-CA 3.49Å; Q474-K477 WeakPolarHBondContact O-CB 3.29Å; Q474-K477 PolarHBondContact O-N 3.32Å; Q474-L478 HydrophobicContact CB-CD1 4.45Å; Q474-L478 WeakPolarHBondContact O-CB 3.4Å; Q474-L478 PolarHBondContact O-N 3.43Å
475A57.1Low63.2Low59 Ų59102.1 Ų102.149%0.48848%0.484SS..Hα-helixtrans-65.3-36.6176.900000112E471 R472 K477 L479E471-A475 WeakPolarHBondContact O-CB 3.47Å; E471-A475 PolarHBondContact O-N 2.64Å; R472-A475 PolarHBondContact O-N 3.24Å; A475-K477 VanDerWaalsContact C-N 3.31Å; A475-L479 PolarHBondContact O-N 3Å
476N52.7Low62.4Low101 Ų10198 Ų9854%0.5448%0.479SS..Hα-helixtrans-70.9-27.2171.7-73.3-12.3000112.3R472 I473 Q474 V974R472-N476 VanDerWaalsContact O-CB 3.31Å; R472-N476 WeakPolarHBondContact O-CB 3.44Å; R472-N476 VanDerWaalsContact O-CG 3.25Å; R472-N476 PolarHBondContact O-N 3.1Å; I473-N476 PolarHBondContact O-N 2.9Å; Q474-N476 VanDerWaalsContact C-N 3.33Å; Q474-N476 PolarHBondContact O-N 3.14Å; N476-V974 HydrophobicContact CB-CG1 4.24Å; N476-V974 WeakPolarHBondContact O-CG1 3.32Å
477K55.2Low61.2Low151 Ų15197.3 Ų97.366%0.65749%0.485SS*.Hα-helixtrans-81.9-30.4173.2-75.5179.9177-166.90113.5I473 Q474 A475I473-K477 HydrophobicContact CG2-CD 4.19Å; I473-K477 WeakPolarHBondContact O-CB 3.3Å; I473-K477 VanDerWaalsContact O-CG 3.25Å; I473-K477 WeakPolarHBondContact O-CG 3.43Å; I473-K477 PolarHBondContact O-N 3.24Å; Q474-K477 CarbonylContact O-C 3.54Å; Q474-K477 WeakPolarHBondContact O-CA 3.49Å; Q474-K477 WeakPolarHBondContact O-CB 3.29Å; Q474-K477 PolarHBondContact O-N 3.32Å; A475-K477 VanDerWaalsContact C-N 3.31Å
478L47.3Very low60.1Low135 Ų13594.4 Ų94.471%0.70748%0.475SS*.Hα-helixtrans-84.3-15.9-171.3-97158.8000113.8Q474 D480Q474-L478 HydrophobicContact CB-CD1 4.45Å; Q474-L478 WeakPolarHBondContact O-CB 3.4Å; Q474-L478 PolarHBondContact O-N 3.43Å; L478-D480 VanDerWaalsContact C-N 3.29Å; L478-D480 PolarHBondContact O-N 2.85Å
479L50.5Low59.2Low79 Ų7995.9 Ų95.941%0.41449%0.493SS..SBendtrans-87.783.2166.8-138.180.9000107A475 D481 L484A475-L479 PolarHBondContact O-N 3Å; L479-D481 PolarHBondContact O-N 3Å; L479-D481 VanDerWaalsContact O-N 3.17Å; L479-L484 HydrophobicContact CD2-CB 4.4Å; L479-L484 HydrophobicContact CD2-CD1 3.42Å; L479-L484 VanDerWaalsContact CD2-CD1 3.42Å; L479-L484 HydrophobicContact CD2-CG 4.45Å
480D52.7Low58.6Low104 Ų10498.4 Ų98.456%0.55651%0.507SS*.  trans-47.4126.1169.1-110.9-34.1000107.7L478 Q482 H483 L484L478-D480 VanDerWaalsContact C-N 3.29Å; L478-D480 PolarHBondContact O-N 2.85Å; D480-Q482 PolarHBondContact O-N 3.18Å; D480-H483 PolarHBondContact O-N 2.84Å; D480-L484 PolarHBondContact O-N 3.4Å
481D57.1Low58.2Low25 Ų2595.6 Ų95.613%0.13450%0.495CS..Hα-helixtrans-52.2-27.4179-70.4-33.8000110.5L479 L484 M485 R975L479-D481 PolarHBondContact O-N 3Å; L479-D481 VanDerWaalsContact O-N 3.17Å; D481-L484 PolarHBondContact O-N 3.02Å; D481-M485 VanDerWaalsContact O-CG 3.22Å; D481-M485 WeakPolarHBondContact O-CG 3.37Å; D481-M485 PolarHBondContact O-N 3.22Å; D481-R975 WeakPolarHBondContact OD2-CB 3.48Å; D481-R975 IonicContact OD2-CZ 3.39Å; D481-R975 IonicContact OD2-NE 3.45Å; D481-R975 PolarHBondContact OD2-NE 2.83Å; D481-R975 IonicContact OD2-NH2 2.75Å; D481-R975 PolarHBondContact OD2-NH2 3.27Å
482Q56.2Low58.4Low143 Ų14394.1 Ų94.167%0.66849%0.494SS*.Hα-helixtrans-59.5-44.1171.5-80-173.3100113.7D480 M485 T486D480-Q482 PolarHBondContact O-N 3.18Å; Q482-M485 PolarHBondContact O-N 2.77Å; Q482-T486 PolarHBondContact O-N 3.44Å; Q482-T486 PolarHBondContact O-OG1 3.4Å
483H58.5Low59.1Low128 Ų12895.8 Ų95.859%0.59350%0.5SS*.Hα-helixtrans-68.6-33.8176.1-84.9174.5000112.5D480 M485 T486 S487D480-H483 PolarHBondContact O-N 2.84Å; H483-M485 VanDerWaalsContact C-N 3.33Å; H483-T486 WeakPolarHBondContact CA-OG1 3.46Å; H483-T486 PolarHBondContact O-OG1 2.83Å; H483-S487 WeakPolarHBondContact O-CB 3.28Å; H483-S487 PolarHBondContact O-N 3.18Å; H483-S487 VanDerWaalsContact O-N 3.07Å; H483-S487 PolarHBondContact O-OG 3.44Å
484L60.5Low60.4Low16 Ų1692.4 Ų92.48%0.08448%0.483CS..Hα-helixtrans-68.4-37174.9-161.382000110.9L479 D480 D481 S487 L488 L970 R972L479-L484 HydrophobicContact CD2-CB 4.4Å; L479-L484 HydrophobicContact CD2-CD1 3.42Å; L479-L484 VanDerWaalsContact CD2-CD1 3.42Å; L479-L484 HydrophobicContact CD2-CG 4.45Å; D480-L484 PolarHBondContact O-N 3.4Å; D481-L484 PolarHBondContact O-N 3.02Å; L484-S487 PolarHBondContact O-OG 2.87Å; L484-L488 HydrophobicContact CG-CD1 4.18Å; L484-L488 WeakPolarHBondContact O-CD1 2.98Å; L484-L488 WeakPolarHBondContact O-CG 3.15Å; L484-L488 PolarHBondContact O-N 3.18Å; L484-L970 HydrophobicContact CD2-CB 4.42Å; L484-L970 HydrophobicContact CD2-CD1 3.81Å; L484-R972 HydrophobicContact CD1-CB 4.42Å; L484-R972 HydrophobicContact CD2-CB 4.15Å; L484-R972 WeakPolarHBondContact CD2-O 3.35Å
485M58.4Low61.7Low53 Ų5387.5 Ų87.526%0.26146%0.46SS..Hα-helixtrans-67.5-39.2176.1-71.8-66.1-67.700112.8D481 Q482 H483 C491 L970D481-M485 VanDerWaalsContact O-CG 3.22Å; D481-M485 WeakPolarHBondContact O-CG 3.37Å; D481-M485 PolarHBondContact O-N 3.22Å; Q482-M485 PolarHBondContact O-N 2.77Å; H483-M485 VanDerWaalsContact C-N 3.33Å; M485-C491 HydrophobicContact CE-CB 4.17Å; M485-C491 HydrophobicContact SD-CB 4.36Å; M485-C491 VanDerWaalsContact SD-SG 3.65Å; M485-L970 HydrophobicContact SD-CD1 4.17Å
486T62.3Low63.1Low90 Ų9091.9 Ų91.955%0.55247%0.47SS*.Hα-helixtrans-76.1-26.5177.636.60000113.7Q482 H483 I928Q482-T486 PolarHBondContact O-N 3.44Å; Q482-T486 PolarHBondContact O-OG1 3.4Å; H483-T486 WeakPolarHBondContact CA-OG1 3.46Å; H483-T486 PolarHBondContact O-OG1 2.83Å; T486-I928 HydrophobicContact CG2-CD1 3.98Å
487S57.3Low64.9Low82 Ų8287.9 Ų87.957%0.57345%0.45SS*.Hα-helixtrans-85.9-14.2-178.356.40000114.9H483 L484 P489H483-S487 WeakPolarHBondContact O-CB 3.28Å; H483-S487 PolarHBondContact O-N 3.18Å; H483-S487 VanDerWaalsContact O-N 3.07Å; H483-S487 PolarHBondContact O-OG 3.44Å; L484-S487 PolarHBondContact O-OG 2.87Å; S487-P489 WeakPolarHBondContact O-CD 3.1Å
488L58.1Low66.5Low70 Ų7081.7 Ų81.737%0.36643%0.425SS..SBendtrans-90.2116.5178.9-76.8166.4000110.3L484 Q490 L970L484-L488 HydrophobicContact CG-CD1 4.18Å; L484-L488 WeakPolarHBondContact O-CD1 2.98Å; L484-L488 WeakPolarHBondContact O-CG 3.15Å; L484-L488 PolarHBondContact O-N 3.18Å; L488-Q490 PolarHBondContact O-N 3.4Å; L488-L970 HydrophobicContact CD1-CD2 3.59Å
489P55.5Low68.3Low124 Ų12482.8 Ų82.881%0.80543%0.425SS*.SBendtrans-63.5-8.6-169.9-22.131.9000116.3S487S487-P489 WeakPolarHBondContact O-CD 3.1Å
490Q61.2Low69.8Low181 Ų18180.6 Ų80.685%0.84641%0.413SS*.SBendtrans-168.192.5175.3-101.315736.100106.5L488 P492L488-Q490 PolarHBondContact O-N 3.4Å; Q490-P492 WeakPolarHBondContact O-CD 3.3Å
491C64.5Low71.2Confident35 Ų3584.5 Ų84.524%0.23643%0.428CS..PPolyproline II helixtrans-70.2118.3174.4-165.80000108.9M485 R493 R889M485-C491 HydrophobicContact CE-CB 4.17Å; M485-C491 HydrophobicContact SD-CB 4.36Å; M485-C491 VanDerWaalsContact SD-SG 3.65Å; C491-R493 PolarHBondContact O-N 2.81Å; C491-R889 PolarHBondContact SG-NH1 3.46Å
492P75.5Confident72.5Confident64 Ų6485.2 Ų85.242%0.41643%0.432SS..PPolyproline II helixtrans-63.9130.7-174.424.1-32.8000110.5Q490 R889Q490-P492 WeakPolarHBondContact O-CD 3.3Å; P492-R889 PolarHBondContact O-NH1 3.23Å; P492-R889 PolarHBondContact O-NH2 2.94Å
493R80.2Confident73.6Confident187 Ų18780.4 Ų80.471%0.70641%0.413SS*.PPolyproline II helixtrans-60.1144.2-179.5-168.6177.5172.7178.3-4.1110.4C491 S968C491-R493 PolarHBondContact O-N 2.81Å; R493-S968 WeakPolarHBondContact O-CB 3.35Å; R493-S968 PolarHBondContact O-OG 3.1Å
494L86.7Confident74.5Confident7 Ų781.1 Ų81.14%0.03743%0.429CS..PPolyproline II helixtrans-73.6147.4171.7-68.4-179.3000110D888 R889 Y890 L965 L969L494-D888 HydrophobicContact CD1-CB 3.78Å; L494-R889 HydrophobicContact CD1-CG 3.63Å; L494-R889 HydrophobicContact CG-CG 4.24Å; L494-Y890 HydrophobicContact CB-CE2 4.24Å; L494-Y890 HydrophobicContact CD1-CD2 3.87Å; L494-Y890 HydrophobicContact CD1-CE2 3.78Å; L494-Y890 HydrophobicContact CG-CE2 4.31Å; L494-L965 HydrophobicContact CD2-CD1 4.26Å; L494-L969 HydrophobicContact CD2-CD2 4.35Å
495P88.8Confident75.1Confident3 Ų382.6 Ų82.62%0.01944%0.44CS..PPolyproline II helixtrans-57.5145.8175.223.3-33000110.8P497 Y956 E964 L965P495-P497 WeakPolarHBondContact O-CD 3.41Å; P495-Y956 HydrophobicContact CB-CE1 4.12Å; P495-Y956 HydrophobicContact CG-CE1 3.73Å; P495-Y956 PolarHBondContact O-OH 3.46Å; P495-E964 HydrophobicContact CB-CB 4.13Å; P495-E964 HydrophobicContact CB-CG 4.05Å; P495-E964 HydrophobicContact CG-CB 4.26Å; P495-E964 HydrophobicContact CG-CG 4.33Å; P495-L965 HydrophobicContact CG-CB 3.82Å; P495-L965 HydrophobicContact CG-CD1 4.45Å
496E86.2Confident76.3Confident151 Ų15180.3 Ų80.371%0.70643%0.429SS*.PPolyproline II helixtrans-72121.1174-168.6165.7-17400109.2Q961E496-Q961 PolarHBondContact O-NE2 2.72Å
497P90.7Very high77.4Confident18 Ų1879.7 Ų79.712%0.11742%0.422CS..PPolyproline II helixtrans-76.7149.8-178.634.5-37.5000111.1P495 L906 Y954 Y956P495-P497 WeakPolarHBondContact O-CD 3.41Å; P497-L906 HydrophobicContact CB-CD1 3.3Å; P497-L906 HydrophobicContact CG-CD1 4.05Å; P497-Y954 HydrophobicContact CB-CG 4.47Å; P497-Y954 HydrophobicContact CG-CD1 4.03Å; P497-Y954 HydrophobicContact CG-CG 4.14Å; P497-Y956 HydrophobicContact CB-CD1 4.21Å; P497-Y956 HydrophobicContact CB-CE1 3.71Å
498S89.4Confident78.7Confident20 Ų2078.6 Ų78.614%0.1441%0.408CS..EExtended strand (participates in β ladder)trans-71.5131.2176.3-57.50000109.4Y954 F955 Q961S498-Y954 WeakPolarHBondContact O-CA 3.37Å; S498-Y954 WeakPolarHBondContact O-CB 3.42Å; S498-F955 WeakPolarHBondContact CB-O 3.43Å; S498-F955 PolarHBondContact N-O 2.98Å; S498-F955 PolarHBondContact O-N 3.48Å; S498-Q961 PolarHBondContact OG-NE2 2.63Å
499K84.2Confident79.9Confident159 Ų15977.6 Ų77.669%0.69141%0.407SS*.EExtended strand (participates in β ladder)trans-70.8146.1173.8-73.8-172.2178.7-176.90110.4Y954 F955K499-Y954 HydrophobicContact CG-CD1 4.04Å; K499-Y954 HydrophobicContact CG-CE1 3.93Å; K499-F955 WeakPolarHBondContact O-CE1 3.31Å
500L82.8Confident81.4Confident32 Ų3271.9 Ų71.917%0.16837%0.37CS..PPolyproline II helixtrans-80.6116.3172.9-172.169.5000109.9L502 F511 W953 F955L500-L502 HydrophobicContact CD2-CD1 3.98Å; L500-L502 HydrophobicContact CD2-CD2 3.63Å; L500-L502 HydrophobicContact CD2-CG 3.81Å; L500-L502 HydrophobicContact CG-CD2 3.8Å; L500-L502 HydrophobicContact CG-CG 3.9Å; L500-L502 PolarHBondContact O-N 3.26Å; L500-F511 HydrophobicContact CD1-CE2 4.25Å; L500-F511 HydrophobicContact CD1-CZ 4.14Å; L500-F511 HydrophobicContact CD2-CB 4.35Å; L500-F511 HydrophobicContact CD2-CD1 3.34Å; L500-F511 HydrophobicContact CD2-CD2 3.62Å; L500-F511 HydrophobicContact CD2-CE1 3.37Å; L500-F511 HydrophobicContact CD2-CE2 3.64Å; L500-F511 HydrophobicContact CD2-CG 3.46Å; L500-F511 VanDerWaalsContact CD2-CG 3.46Å; L500-F511 HydrophobicContact CD2-CZ 3.52Å; L500-F511 HydrophobicContact CG-CZ 4.5Å; L500-W953 HydrophobicContact CD2-CB 4.19Å; L500-F955 HydrophobicContact CD1-CD1 4.2Å; L500-F955 HydrophobicContact CD1-CE1 4.06Å
501E81.8Confident82.9Confident187 Ų18763.4 Ų63.487%0.87433%0.33SS*.  trans-82105.2173.1-66.1-176.2176.900108.9
502L84.1Confident84.1Confident39 Ų3962.7 Ų62.720%0.20433%0.329CS..  trans-105.6146.1176.6-65.2178.9000110.7L500 F506 E508 F511L500-L502 HydrophobicContact CD2-CD1 3.98Å; L500-L502 HydrophobicContact CD2-CD2 3.63Å; L500-L502 HydrophobicContact CD2-CG 3.81Å; L500-L502 HydrophobicContact CG-CD2 3.8Å; L500-L502 HydrophobicContact CG-CG 3.9Å; L500-L502 PolarHBondContact O-N 3.26Å; L502-F506 WeakPolarHBondContact CB-O 3.37Å; L502-F506 HydrophobicContact CD1-CD1 4.41Å; L502-F506 HydrophobicContact CD2-CD1 4.18Å; L502-E508 HydrophobicContact CD1-CB 4.47Å; L502-E508 HydrophobicContact CD1-CG 3.91Å; L502-F511 HydrophobicContact CD1-CB 3.84Å; L502-F511 HydrophobicContact CD1-CG 4.38Å; L502-F511 HydrophobicContact CD2-CB 4.31Å; L502-F511 HydrophobicContact CD2-CD2 3.84Å; L502-F511 HydrophobicContact CD2-CG 4.23Å
503P79.7Confident84.9Confident43 Ų4363.7 Ų63.728%0.27932%0.324SS..  trans-57.3147.8170.1-25.636.6000111.8S505 F506 T613P503-S505 PolarHBondContact O-N 3.5Å; P503-S505 VanDerWaalsContact O-N 3.11Å; P503-F506 PolarHBondContact O-N 3.31Å; P503-F506 VanDerWaalsContact O-O 3.14Å; P503-T613 HydrophobicContact CG-CG2 4.01Å
504P75.8Confident85.5Confident142 Ų14254.8 Ų54.892%0.92229%0.29SS*.THydrogen-bonded Turntrans-62.8-23-174.824.2-34.1000114.1F506P504-F506 VanDerWaalsContact C-N 3.27Å
505S73.8Confident85.7Confident47 Ų4754.5 Ų54.533%0.32929%0.289SS..THydrogen-bonded Turntrans-81.61.5174.153.50000113.9P503P503-S505 PolarHBondContact O-N 3.5Å; P503-S505 VanDerWaalsContact O-N 3.11Å
506F84.6Confident85.8Confident6 Ų656.1 Ų56.13%0.02631%0.307CS..SBendtrans-134.4109.7-172.5-162.1-104.4000111.3L502 P503 P504 L510 F511 L514 L609 I612 T613 P719 V723L502-F506 WeakPolarHBondContact CB-O 3.37Å; L502-F506 HydrophobicContact CD1-CD1 4.41Å; L502-F506 HydrophobicContact CD2-CD1 4.18Å; P503-F506 PolarHBondContact O-N 3.31Å; P503-F506 VanDerWaalsContact O-O 3.14Å; P504-F506 VanDerWaalsContact C-N 3.27Å; F506-L510 HydrophobicContact CD2-CB 4.04Å; F506-L510 HydrophobicContact CD2-CD1 3.99Å; F506-L510 HydrophobicContact CE1-CB 4.1Å; F506-L510 HydrophobicContact CE2-CB 3.55Å; F506-L510 HydrophobicContact CE2-CD1 4.13Å; F506-L510 HydrophobicContact CE2-CG 4.41Å; F506-L510 HydrophobicContact CZ-CB 3.58Å; F506-F511 HydrophobicContact CD1-CB 4.47Å; F506-F511 HydrophobicContact CE1-CB 3.86Å; F506-F511 HydrophobicContact CE1-CD2 4.49Å; F506-L514 HydrophobicContact CE1-CD2 4.19Å; F506-L514 HydrophobicContact CZ-CB 4.13Å; F506-L514 HydrophobicContact CZ-CD2 3.81Å; F506-L609 HydrophobicContact CD1-CD1 4Å; F506-L609 HydrophobicContact CE1-CD1 3.7Å; F506-L609 HydrophobicContact CZ-CD1 4.3Å; F506-I612 HydrophobicContact CD2-CG2 4.29Å; F506-I612 HydrophobicContact CE2-CG2 3.71Å; F506-I612 HydrophobicContact CZ-CG2 4.42Å; F506-T613 HydrophobicContact CB-CG2 3.8Å; F506-T613 HydrophobicContact CD1-CG2 4.11Å; F506-T613 HydrophobicContact CD2-CG2 3.85Å; F506-T613 HydrophobicContact CE2-CG2 4.42Å; F506-T613 HydrophobicContact CG-CG2 3.66Å; F506-P719 HydrophobicContact CD2-CB 3.73Å; F506-P719 HydrophobicContact CE2-CB 4.23Å; F506-V723 HydrophobicContact CE2-CG2 4.15Å; F506-V723 HydrophobicContact CZ-CG2 4.49Å
507N84.5Confident86.2Confident76 Ų7649.4 Ų49.441%0.40628%0.276SS..  trans-84167.2-176.668.837.7000113.3S509 L510 F511N507-S509 VanDerWaalsContact C-N 3.27Å; N507-S509 PolarHBondContact O-N 3.46Å; N507-S509 WeakPolarHBondContact OD1-CB 3.25Å; N507-S509 PolarHBondContact OD1-N 3.35Å; N507-S509 VanDerWaalsContact OD1-N 3.15Å; N507-L510 PolarHBondContact O-N 3.32Å; N507-L510 VanDerWaalsContact OD1-CG 3.27Å; N507-L510 WeakPolarHBondContact OD1-CG 3.4Å; N507-L510 PolarHBondContact OD1-N 2.85Å; N507-F511 PolarHBondContact O-N 2.88Å; N507-F511 VanDerWaalsContact O-N 3.15Å
508E84.8Confident86.2Confident59 Ų5948.6 Ų48.628%0.27627%0.27SS..Hα-helixtrans-66.2-25.4-178.5-65.3-169.3-149.900113.8L502 F511 G512 N952 W953L502-E508 HydrophobicContact CD1-CB 4.47Å; L502-E508 HydrophobicContact CD1-CG 3.91Å; E508-F511 PolarHBondContact O-N 2.63Å; E508-G512 PolarHBondContact O-N 2.86Å; E508-N952 WeakPolarHBondContact OE2-CA 3.46Å; E508-N952 WeakPolarHBondContact OE2-CB 3.4Å; E508-W953 PolarHBondContact OE2-N 3.43Å
509S83.1Confident86.3Confident50 Ų5047.9 Ų47.935%0.3527%0.265SS..Hα-helixtrans-68.2-45.4176-179.50000111.5N507 F511 G512 R513N507-S509 VanDerWaalsContact C-N 3.27Å; N507-S509 PolarHBondContact O-N 3.46Å; N507-S509 WeakPolarHBondContact OD1-CB 3.25Å; N507-S509 PolarHBondContact OD1-N 3.35Å; N507-S509 VanDerWaalsContact OD1-N 3.15Å; S509-F511 VanDerWaalsContact C-N 3.28Å; S509-F511 PolarHBondContact O-N 2.96Å; S509-G512 PolarHBondContact O-N 2.75Å; S509-R513 PolarHBondContact O-N 3.25Å
510L87.2Confident86.7Confident4 Ų441.1 Ų41.12%0.02124%0.235CC..Hα-helixtrans-64.7-34.5174.5-66.4166.1000111.7F506 N507 R513 L514 E720F506-L510 HydrophobicContact CD2-CB 4.04Å; F506-L510 HydrophobicContact CD2-CD1 3.99Å; F506-L510 HydrophobicContact CE1-CB 4.1Å; F506-L510 HydrophobicContact CE2-CB 3.55Å; F506-L510 HydrophobicContact CE2-CD1 4.13Å; F506-L510 HydrophobicContact CE2-CG 4.41Å; F506-L510 HydrophobicContact CZ-CB 3.58Å; N507-L510 PolarHBondContact O-N 3.32Å; N507-L510 VanDerWaalsContact OD1-CG 3.27Å; N507-L510 WeakPolarHBondContact OD1-CG 3.4Å; N507-L510 PolarHBondContact OD1-N 2.85Å; L510-R513 PolarHBondContact O-N 3.2Å; L510-L514 VanDerWaalsContact O-CB 3.31Å; L510-L514 WeakPolarHBondContact O-CB 3.15Å; L510-L514 PolarHBondContact O-N 2.9Å; L510-E720 HydrophobicContact CD1-CG 3.57Å; L510-E720 WeakPolarHBondContact CD1-OE1 3.19Å; L510-E720 HydrophobicContact CD2-CB 4.41Å; L510-E720 HydrophobicContact CD2-CG 4.11Å; L510-E720 HydrophobicContact CG-CG 4.43Å
511F91.9Very high87.1Confident2 Ų239.8 Ų39.81%0.00923%0.228CC..Hα-helixtrans-60.7-45.6174176.5-97.7000112.4L500 L502 F506 N507 E508 S509 R513 L514 L515 L605 F905 W953L500-F511 HydrophobicContact CD1-CE2 4.25Å; L500-F511 HydrophobicContact CD1-CZ 4.14Å; L500-F511 HydrophobicContact CD2-CB 4.35Å; L500-F511 HydrophobicContact CD2-CD1 3.34Å; L500-F511 HydrophobicContact CD2-CD2 3.62Å; L500-F511 HydrophobicContact CD2-CE1 3.37Å; L500-F511 HydrophobicContact CD2-CE2 3.64Å; L500-F511 HydrophobicContact CD2-CG 3.46Å; L500-F511 VanDerWaalsContact CD2-CG 3.46Å; L500-F511 HydrophobicContact CD2-CZ 3.52Å; L500-F511 HydrophobicContact CG-CZ 4.5Å; L502-F511 HydrophobicContact CD1-CB 3.84Å; L502-F511 HydrophobicContact CD1-CG 4.38Å; L502-F511 HydrophobicContact CD2-CB 4.31Å; L502-F511 HydrophobicContact CD2-CD2 3.84Å; L502-F511 HydrophobicContact CD2-CG 4.23Å; F506-F511 HydrophobicContact CD1-CB 4.47Å; F506-F511 HydrophobicContact CE1-CB 3.86Å; F506-F511 HydrophobicContact CE1-CD2 4.49Å; N507-F511 PolarHBondContact O-N 2.88Å; N507-F511 VanDerWaalsContact O-N 3.15Å; E508-F511 PolarHBondContact O-N 2.63Å; S509-F511 VanDerWaalsContact C-N 3.28Å; S509-F511 PolarHBondContact O-N 2.96Å; F511-R513 VanDerWaalsContact C-N 3.31Å; F511-R513 PolarHBondContact O-N 2.99Å; F511-L514 PolarHBondContact O-N 3.43Å; F511-L515 HydrophobicContact CE1-CD2 4.01Å; F511-L515 HydrophobicContact CZ-CD2 4.36Å; F511-L515 WeakPolarHBondContact O-CB 3.1Å; F511-L515 PolarHBondContact O-N 3.1Å; F511-L605 HydrophobicContact CE2-CD1 4.29Å; F511-L605 HydrophobicContact CE2-CD2 4.1Å; F511-L605 HydrophobicContact CZ-CD2 4.05Å; F511-F905 HydrophobicContact CE1-CD1 4.39Å; F511-F905 HydrophobicContact CE1-CE1 4.27Å; F511-F905 HydrophobicContact CZ-CD1 4.42Å; F511-F905 AromaticContact CZ-CE1 3.85Å; F511-F905 HydrophobicContact CZ-CE1 3.85Å; F511-W953 HydrophobicContact CD1-CB 3.97Å; F511-W953 AromaticContact CD1-CD1 3.83Å; F511-W953 HydrophobicContact CD1-CD2 4.2Å; F511-W953 AromaticContact CD1-CG 3.72Å; F511-W953 HydrophobicContact CD1-CG 3.72Å; F511-W953 HydrophobicContact CE1-CB 4.08Å; F511-W953 HydrophobicContact CE1-CD2 4.2Å; F511-W953 HydrophobicContact CE1-CG 4.01Å
512G90.2Very high87.4Confident20 Ų2033.1 Ų33.121%0.20620%0.197CC..Hα-helixtrans-59.5-41.6176.400000112.7E508 S509 L515 G516E508-G512 PolarHBondContact O-N 2.86Å; S509-G512 PolarHBondContact O-N 2.75Å; G512-L515 PolarHBondContact O-N 2.92Å; G512-G516 PolarHBondContact O-N 2.77Å; G512-G516 VanDerWaalsContact O-N 3.07Å
513R91.8Very high87.5Confident85 Ų8532.2 Ų32.232%0.32119%0.192SC..Hα-helixtrans-63-47.7175.2-72.3167.965.2-173.12112.1S509 L510 F511 L515 G516 L517 V723 I724 E727S509-R513 PolarHBondContact O-N 3.25Å; L510-R513 PolarHBondContact O-N 3.2Å; F511-R513 VanDerWaalsContact C-N 3.31Å; F511-R513 PolarHBondContact O-N 2.99Å; R513-L515 VanDerWaalsContact C-N 3.33Å; R513-L515 PolarHBondContact O-N 2.86Å; R513-G516 WeakPolarHBondContact O-CA 3.3Å; R513-G516 PolarHBondContact O-N 2.7Å; R513-G516 VanDerWaalsContact O-N 3.16Å; R513-L517 PolarHBondContact O-N 3.49Å; R513-V723 HydrophobicContact CB-CG1 4.26Å; R513-I724 VanDerWaalsContact NH2-CG1 3.29Å; R513-E727 WeakPolarHBondContact CB-OE1 3.1Å; R513-E727 IonicContact CZ-OE1 3.07Å; R513-E727 IonicContact CZ-OE2 3.75Å; R513-E727 IonicContact NE-OE1 3.08Å; R513-E727 PolarHBondContact NE-OE1 3.29Å; R513-E727 IonicContact NE-OE2 3.37Å; R513-E727 VanDerWaalsContact NH2-CD 3.31Å; R513-E727 IonicContact NH2-OE1 3.3Å; R513-E727 PolarHBondContact NH2-OE1 2.91Å; R513-E727 IonicContact NH2-OE2 3.91Å; R513-E727 PolarHBondContact NH2-OE2 3.41Å
514L92.6Very high88Confident0 Ų030.9 Ų30.90%018%0.182CC..Hα-helixtrans-61.2-40.2176.2175.958.3000112.6F506 L510 F511 G516 L517 T518 L605 L608 L609 I612F506-L514 HydrophobicContact CE1-CD2 4.19Å; F506-L514 HydrophobicContact CZ-CB 4.13Å; F506-L514 HydrophobicContact CZ-CD2 3.81Å; L510-L514 VanDerWaalsContact O-CB 3.31Å; L510-L514 WeakPolarHBondContact O-CB 3.15Å; L510-L514 PolarHBondContact O-N 2.9Å; F511-L514 PolarHBondContact O-N 3.43Å; L514-G516 VanDerWaalsContact C-N 3.3Å; L514-G516 PolarHBondContact O-N 3.08Å; L514-L517 PolarHBondContact O-N 2.71Å; L514-T518 WeakPolarHBondContact O-CB 3.36Å; L514-T518 PolarHBondContact O-N 3.16Å; L514-T518 PolarHBondContact O-OG1 3.15Å; L514-L605 HydrophobicContact CG-CD1 4.43Å; L514-L608 HydrophobicContact CD1-CB 4.43Å; L514-L608 HydrophobicContact CD1-CD2 3.52Å; L514-L608 HydrophobicContact CD1-CG 3.72Å; L514-L609 HydrophobicContact CD2-CB 3.98Å; L514-L609 HydrophobicContact CD2-CD1 3.58Å; L514-L609 HydrophobicContact CD2-CG 4.41Å; L514-I612 HydrophobicContact CD1-CD1 3.29Å; L514-I612 HydrophobicContact CD2-CD1 4.1Å; L514-I612 HydrophobicContact CG-CD1 4.29Å
515L91.9Very high88.6Confident1 Ų126.2 Ų26.21%0.00515%0.148CC..Hα-helixtrans-61.3-42175.6-175.259.7000110.8F511 G512 R513 T518 E519 L605 F897 F905 W953F511-L515 HydrophobicContact CE1-CD2 4.01Å; F511-L515 HydrophobicContact CZ-CD2 4.36Å; F511-L515 WeakPolarHBondContact O-CB 3.1Å; F511-L515 PolarHBondContact O-N 3.1Å; G512-L515 PolarHBondContact O-N 2.92Å; R513-L515 VanDerWaalsContact C-N 3.33Å; R513-L515 PolarHBondContact O-N 2.86Å; L515-T518 PolarHBondContact O-N 3.49Å; L515-E519 WeakPolarHBondContact O-CB 3.26Å; L515-E519 PolarHBondContact O-N 3Å; L515-L605 HydrophobicContact CD1-CD1 3.94Å; L515-L605 HydrophobicContact CD1-CD2 3.73Å; L515-L605 HydrophobicContact CD1-CG 4.42Å; L515-F897 HydrophobicContact CD1-CB 4.25Å; L515-F897 HydrophobicContact CD1-CD1 4.46Å; L515-F897 HydrophobicContact CD1-CD2 4.01Å; L515-F897 HydrophobicContact CD1-CE2 4.47Å; L515-F897 HydrophobicContact CD1-CG 4Å; L515-F897 HydrophobicContact CD2-CD2 3.62Å; L515-F897 HydrophobicContact CD2-CE1 4.41Å; L515-F897 HydrophobicContact CD2-CE2 3.3Å; L515-F897 HydrophobicContact CD2-CG 4.29Å; L515-F897 HydrophobicContact CD2-CZ 3.75Å; L515-F897 HydrophobicContact CG-CD1 4.2Å; L515-F897 HydrophobicContact CG-CD2 3.91Å; L515-F897 HydrophobicContact CG-CE1 4.17Å; L515-F897 HydrophobicContact CG-CE2 3.87Å; L515-F897 HydrophobicContact CG-CG 4.07Å; L515-F897 HydrophobicContact CG-CZ 4.01Å; L515-F905 HydrophobicContact CD1-CZ 4.3Å; L515-F905 HydrophobicContact CD2-CD1 4.19Å; L515-F905 HydrophobicContact CD2-CE1 4.43Å; L515-F905 HydrophobicContact CD2-CG 4.34Å; L515-W953 HydrophobicContact CD2-CE3 4.28Å; L515-W953 HydrophobicContact CD2-CH2 4.1Å; L515-W953 HydrophobicContact CD2-CZ3 3.92Å
516G91.5Very high89Confident38 Ų3825.6 Ų25.639%0.39214%0.144SC..Hα-helixtrans-59.7-48.6172.100000113.2G512 R513 L514 T518 E519 F520G512-G516 PolarHBondContact O-N 2.77Å; G512-G516 VanDerWaalsContact O-N 3.07Å; R513-G516 WeakPolarHBondContact O-CA 3.3Å; R513-G516 PolarHBondContact O-N 2.7Å; R513-G516 VanDerWaalsContact O-N 3.16Å; L514-G516 VanDerWaalsContact C-N 3.3Å; L514-G516 PolarHBondContact O-N 3.08Å; G516-T518 PolarHBondContact O-N 2.93Å; G516-E519 PolarHBondContact O-N 3.47Å; G516-F520 PolarHBondContact O-N 3.34Å
517L92.9Very high89Confident10 Ų1026 Ų265%0.05215%0.146CC..Hα-helixtrans-59.5-44.9175.8-75.3174.6000112.4R513 L514 E519 F520 F521 V723 L726 E727 V730R513-L517 PolarHBondContact O-N 3.49Å; L514-L517 PolarHBondContact O-N 2.71Å; L517-E519 VanDerWaalsContact C-N 3.31Å; L517-E519 PolarHBondContact O-N 2.82Å; L517-F520 WeakPolarHBondContact O-CB 3.25Å; L517-F520 PolarHBondContact O-N 3.48Å; L517-F521 WeakPolarHBondContact O-CD2 3.3Å; L517-F521 PolarHBondContact O-N 3.16Å; L517-F521 VanDerWaalsContact O-N 3.16Å; L517-V723 HydrophobicContact CD1-CG1 3.97Å; L517-L726 HydrophobicContact CD1-CB 3.86Å; L517-L726 HydrophobicContact CD1-CD1 4.3Å; L517-L726 HydrophobicContact CD2-CB 4.27Å; L517-E727 HydrophobicContact CD1-CG 3.92Å; L517-E727 HydrophobicContact CD2-CG 3.87Å; L517-E727 HydrophobicContact CG-CG 4.08Å; L517-V730 HydrophobicContact CD2-CB 4.39Å; L517-V730 HydrophobicContact CD2-CG2 3.9Å
518T91.9Very high89.1Confident0 Ų022.8 Ų22.80%013%0.129CC..Hα-helixtrans-66-38.3-179.3-45.40000110.9L514 L515 G516 F521 H522 L605 C899L514-T518 WeakPolarHBondContact O-CB 3.36Å; L514-T518 PolarHBondContact O-N 3.16Å; L514-T518 PolarHBondContact O-OG1 3.15Å; L515-T518 PolarHBondContact O-N 3.49Å; G516-T518 PolarHBondContact O-N 2.93Å; T518-F521 PolarHBondContact O-N 3.36Å; T518-H522 PolarHBondContact O-N 3.4Å; T518-H522 PolarHBondContact O-ND1 2.93Å; T518-L605 HydrophobicContact CG2-CB 4.27Å; T518-C899 HydrophobicContact CG2-CB 3.49Å; T518-C899 VanDerWaalsContact CG2-CB 3.49Å
519E91.7Very high88.8Confident6 Ų620.5 Ų20.53%0.02812%0.118CC..Hα-helixtrans-66.6-37.3174-172.767.7-174.700111.6L515 G516 L517 F521 H522 I523 F897 R898 C899L515-E519 WeakPolarHBondContact O-CB 3.26Å; L515-E519 PolarHBondContact O-N 3Å; G516-E519 PolarHBondContact O-N 3.47Å; L517-E519 VanDerWaalsContact C-N 3.31Å; L517-E519 PolarHBondContact O-N 2.82Å; E519-F521 PolarHBondContact O-N 2.69Å; E519-H522 PolarHBondContact O-N 3.08Å; E519-H522 VanDerWaalsContact O-N 3.17Å; E519-I523 HydrophobicContact CG-CD1 3.6Å; E519-I523 HydrophobicContact CG-CG1 4.11Å; E519-I523 WeakPolarHBondContact O-CG1 3.41Å; E519-I523 PolarHBondContact O-N 2.99Å; E519-F897 HydrophobicContact CB-CD1 4.03Å; E519-F897 HydrophobicContact CG-CD1 3.94Å; E519-R898 PolarHBondContact OE1-N 2.72Å; E519-R898 IonicContact OE1-NH1 3.93Å; E519-R898 PolarHBondContact OE1-NH1 2.98Å; E519-R898 PolarHBondContact OE2-N 3.17Å; E519-C899 PolarHBondContact OE2-N 3.42Å; E519-C899 VanDerWaalsContact OE2-N 3.1Å
520F92.6Very high88Confident16 Ų1623.6 Ų23.67%0.0713%0.128CC..Hα-helixtrans-55.8-50.5173.9173-87.6000111.5G516 L517 H522 I523 F524 L528 L632 V730 I733 F734 I739G516-F520 PolarHBondContact O-N 3.34Å; L517-F520 WeakPolarHBondContact O-CB 3.25Å; L517-F520 PolarHBondContact O-N 3.48Å; F520-H522 PolarHBondContact O-N 2.66Å; F520-I523 PolarHBondContact O-N 3.06Å; F520-F524 AromaticContact CD2-CD2 3.43Å; F520-F524 HydrophobicContact CD2-CD2 3.43Å; F520-F524 VanDerWaalsContact CD2-CD2 3.43Å; F520-F524 AromaticContact CD2-CE2 3.77Å; F520-F524 HydrophobicContact CD2-CE2 3.77Å; F520-F524 HydrophobicContact CD2-CG 4.42Å; F520-F524 AromaticContact CE2-CD2 3.48Å; F520-F524 HydrophobicContact CE2-CD2 3.48Å; F520-F524 VanDerWaalsContact CE2-CD2 3.48Å; F520-F524 AromaticContact CE2-CE2 3.87Å; F520-F524 HydrophobicContact CE2-CE2 3.87Å; F520-F524 HydrophobicContact CE2-CG 4.11Å; F520-F524 HydrophobicContact CG-CD2 4.09Å; F520-F524 HydrophobicContact CZ-CB 4.41Å; F520-F524 HydrophobicContact CZ-CD2 4.17Å; F520-F524 HydrophobicContact CZ-CG 4.43Å; F520-F524 PolarHBondContact O-N 3.11Å; F520-L528 HydrophobicContact CE1-CD1 4.43Å; F520-L632 HydrophobicContact CE1-CD2 3.75Å; F520-L632 HydrophobicContact CZ-CD2 4.48Å; F520-V730 HydrophobicContact CD1-CG1 4.24Å; F520-V730 HydrophobicContact CD1-CG2 3.81Å; F520-V730 HydrophobicContact CD2-CG1 3.87Å; F520-V730 HydrophobicContact CE1-CG1 4.19Å; F520-V730 HydrophobicContact CE1-CG2 3.79Å; F520-V730 HydrophobicContact CE2-CG1 3.79Å; F520-V730 HydrophobicContact CG-CG1 4.1Å; F520-V730 HydrophobicContact CG-CG2 4.39Å; F520-V730 HydrophobicContact CZ-CG1 3.96Å; F520-V730 HydrophobicContact CZ-CG2 4.32Å; F520-I733 HydrophobicContact CZ-CG2 4.46Å; F520-F734 HydrophobicContact CD2-CE2 4.03Å; F520-F734 HydrophobicContact CD2-CZ 4.12Å; F520-F734 AromaticContact CE2-CE2 3.72Å; F520-F734 HydrophobicContact CE2-CE2 3.72Å; F520-F734 AromaticContact CE2-CZ 3.89Å; F520-F734 HydrophobicContact CE2-CZ 3.89Å; F520-I739 HydrophobicContact CE2-CD1 4.1Å; F520-I739 HydrophobicContact CZ-CD1 4.28Å
521F91.7Very high86.5Confident5 Ų527.2 Ų27.22%0.02217%0.166CC..Hα-helixtrans-60-33178.3-72.6-67.4000113.1L517 T518 E519 H525 L528 L600 L603 P628 L632 L726L517-F521 WeakPolarHBondContact O-CD2 3.3Å; L517-F521 PolarHBondContact O-N 3.16Å; L517-F521 VanDerWaalsContact O-N 3.16Å; T518-F521 PolarHBondContact O-N 3.36Å; E519-F521 PolarHBondContact O-N 2.69Å; F521-H525 WeakPolarHBondContact O-CA 3.29Å; F521-H525 WeakPolarHBondContact O-CB 3.31Å; F521-H525 PolarHBondContact O-N 2.73Å; F521-L528 HydrophobicContact CD1-CD1 3.6Å; F521-L528 HydrophobicContact CE1-CD1 4.19Å; F521-L600 HydrophobicContact CD1-CD2 4.01Å; F521-L600 HydrophobicContact CE1-CD2 4.5Å; F521-L603 HydrophobicContact CB-CD2 4.04Å; F521-L603 HydrophobicContact CD1-CD2 4.42Å; F521-L603 HydrophobicContact CD2-CD2 3.74Å; F521-L603 HydrophobicContact CE2-CD2 4.32Å; F521-L603 HydrophobicContact CG-CD2 3.82Å; F521-P628 HydrophobicContact CD1-CB 4.25Å; F521-P628 HydrophobicContact CE1-CB 3.54Å; F521-P628 HydrophobicContact CE2-CB 3.98Å; F521-P628 HydrophobicContact CZ-CB 3.38Å; F521-L632 HydrophobicContact CE1-CD1 3.92Å; F521-L632 HydrophobicContact CE1-CD2 3.83Å; F521-L632 HydrophobicContact CE1-CG 3.88Å; F521-L632 HydrophobicContact CZ-CD1 3.69Å; F521-L632 HydrophobicContact CZ-CD2 4.38Å; F521-L632 HydrophobicContact CZ-CG 4.18Å; F521-L726 HydrophobicContact CZ-CD2 4.29Å
522H87Confident84.5Confident47 Ų4728.9 Ų28.922%0.21818%0.178CC..Hα-helixtrans-75.8-42.7176.9-78.180000112.9T518 E519 F520 L603 C899T518-H522 PolarHBondContact O-N 3.4Å; T518-H522 PolarHBondContact O-ND1 2.93Å; E519-H522 PolarHBondContact O-N 3.08Å; E519-H522 VanDerWaalsContact O-N 3.17Å; F520-H522 PolarHBondContact O-N 2.66Å; H522-L603 PolarHBondContact CE1-O 2.96Å; H522-C899 VanDerWaalsContact CE1-CA 3.43Å; H522-C899 WeakPolarHBondContact CE1-CA 3.44Å; H522-C899 WeakPolarHBondContact CE1-CB 3.44Å; H522-C899 VanDerWaalsContact ND1-CB 3.32Å; H522-C899 WeakPolarHBondContact ND1-CB 3.44Å
523I87Confident82.3Confident20 Ų2030.9 Ų30.910%0.10319%0.186CC..Hα-helixtrans-69-45-178.3-70.7175000110.7E519 F520 C878 V879E519-I523 HydrophobicContact CG-CD1 3.6Å; E519-I523 HydrophobicContact CG-CG1 4.11Å; E519-I523 WeakPolarHBondContact O-CG1 3.41Å; E519-I523 PolarHBondContact O-N 2.99Å; F520-I523 PolarHBondContact O-N 3.06Å; I523-C878 VanDerWaalsContact CG2-O 3.31Å; I523-C878 WeakPolarHBondContact CG2-O 3.32Å; I523-V879 HydrophobicContact CG2-CB 4.49Å; I523-V879 HydrophobicContact CG2-CG1 4.25Å
524F89.6Confident79.7Confident14 Ų1433.2 Ų33.26%0.06121%0.205CC..SBendtrans-95.613.7-175.9-66.6-78.8000113.3F520 S526 L527 L528 I739 V879F520-F524 AromaticContact CD2-CD2 3.43Å; F520-F524 HydrophobicContact CD2-CD2 3.43Å; F520-F524 VanDerWaalsContact CD2-CD2 3.43Å; F520-F524 AromaticContact CD2-CE2 3.77Å; F520-F524 HydrophobicContact CD2-CE2 3.77Å; F520-F524 HydrophobicContact CD2-CG 4.42Å; F520-F524 AromaticContact CE2-CD2 3.48Å; F520-F524 HydrophobicContact CE2-CD2 3.48Å; F520-F524 VanDerWaalsContact CE2-CD2 3.48Å; F520-F524 AromaticContact CE2-CE2 3.87Å; F520-F524 HydrophobicContact CE2-CE2 3.87Å; F520-F524 HydrophobicContact CE2-CG 4.11Å; F520-F524 HydrophobicContact CG-CD2 4.09Å; F520-F524 HydrophobicContact CZ-CB 4.41Å; F520-F524 HydrophobicContact CZ-CD2 4.17Å; F520-F524 HydrophobicContact CZ-CG 4.43Å; F520-F524 PolarHBondContact O-N 3.11Å; F524-S526 PolarHBondContact O-N 3.13Å; F524-S526 VanDerWaalsContact O-N 3.12Å; F524-L527 HydrophobicContact CB-CB 4.48Å; F524-L527 HydrophobicContact CD1-CD2 4.27Å; F524-L527 WeakPolarHBondContact O-CB 3.43Å; F524-L527 PolarHBondContact O-N 3.32Å; F524-L528 WeakPolarHBondContact O-CG 3.36Å; F524-L528 PolarHBondContact O-N 3.16Å; F524-I739 HydrophobicContact CD1-CD1 3.67Å; F524-I739 HydrophobicContact CD2-CD1 4.5Å; F524-I739 HydrophobicContact CE1-CD1 3.69Å; F524-I739 HydrophobicContact CE1-CG2 3.89Å; F524-I739 HydrophobicContact CG-CD1 4.1Å; F524-I739 HydrophobicContact CZ-CD1 4.12Å; F524-I739 HydrophobicContact CZ-CG2 3.97Å; F524-V879 HydrophobicContact CE1-CB 4.49Å
525H87.5Confident77Confident44 Ų4440 Ų4020%0.20424%0.241CC..Hα-helixtrans-50.4-40.6177.7174.9-79.5000112.6F521 L527 L528 V529 R601F521-H525 WeakPolarHBondContact O-CA 3.29Å; F521-H525 WeakPolarHBondContact O-CB 3.31Å; F521-H525 PolarHBondContact O-N 2.73Å; H525-L527 PolarHBondContact O-N 3.41Å; H525-L528 PolarHBondContact O-N 3.22Å; H525-V529 WeakPolarHBondContact O-CB 3.34Å; H525-V529 WeakPolarHBondContact O-CG2 3.32Å; H525-V529 PolarHBondContact O-N 3.43Å; H525-V529 VanDerWaalsContact O-N 3.1Å; H525-R601 WeakPolarHBondContact NE2-CG 3.48Å
526S82.7Confident74.3Confident35 Ų3545.5 Ų45.525%0.24528%0.275CS..Hα-helixtrans-59.4-44.4176.837.80000112.8F524 E530 H742F524-S526 PolarHBondContact O-N 3.13Å; F524-S526 VanDerWaalsContact O-N 3.12Å; S526-E530 VanDerWaalsContact O-CB 3.31Å; S526-E530 WeakPolarHBondContact O-CB 3.33Å; S526-E530 PolarHBondContact O-N 3.48Å; S526-H742 PolarHBondContact OG-CE1 2.99Å; S526-H742 VanDerWaalsContact OG-CE1 3.32Å; S526-H742 PolarHBondContact OG-NE2 2.95Å
527L85.8Confident71.6Confident15 Ų1550.7 Ų50.78%0.07929%0.289CS..Hα-helixtrans-66.4-45.2176.8176.162.4000111.3F524 H525 V529 E530 I739 H742F524-L527 HydrophobicContact CB-CB 4.48Å; F524-L527 HydrophobicContact CD1-CD2 4.27Å; F524-L527 WeakPolarHBondContact O-CB 3.43Å; F524-L527 PolarHBondContact O-N 3.32Å; H525-L527 PolarHBondContact O-N 3.41Å; L527-V529 PolarHBondContact O-N 3.09Å; L527-E530 PolarHBondContact O-N 2.98Å; L527-I739 HydrophobicContact CD2-CD1 3.56Å; L527-I739 HydrophobicContact CD2-CG1 4.42Å; L527-H742 HydrophobicContact CD1-CB 4.15Å; L527-H742 HydrophobicContact CD2-CB 4.17Å
528L86.4Confident68.9Low8 Ų852.6 Ų52.64%0.04230%0.301CS..Hα-helixtrans-66.9-21.6-176.8-63179.8000113.3F520 F521 F524 H525 L600 V631 L632 L635 I733F520-L528 HydrophobicContact CE1-CD1 4.43Å; F521-L528 HydrophobicContact CD1-CD1 3.6Å; F521-L528 HydrophobicContact CE1-CD1 4.19Å; F524-L528 WeakPolarHBondContact O-CG 3.36Å; F524-L528 PolarHBondContact O-N 3.16Å; H525-L528 PolarHBondContact O-N 3.22Å; L528-L600 HydrophobicContact CB-CD1 4.4Å; L528-V631 HydrophobicContact CB-CG1 3.92Å; L528-V631 HydrophobicContact CD2-CG1 4.41Å; L528-V631 VanDerWaalsContact O-CG1 3.31Å; L528-V631 WeakPolarHBondContact O-CG1 3.09Å; L528-L632 HydrophobicContact CD2-CD2 3.88Å; L528-L635 HydrophobicContact CD2-CD1 3.56Å; L528-I733 HydrophobicContact CD2-CD1 4.42Å
529V78.5Confident66Low10 Ų1060.8 Ų60.86%0.06134%0.339CS..Hα-helixtrans-107.9-7.3-179.3178.50000112.1H525 L527 G531 S532 V533 I597 L600H525-V529 WeakPolarHBondContact O-CB 3.34Å; H525-V529 WeakPolarHBondContact O-CG2 3.32Å; H525-V529 PolarHBondContact O-N 3.43Å; H525-V529 VanDerWaalsContact O-N 3.1Å; L527-V529 PolarHBondContact O-N 3.09Å; V529-G531 PolarHBondContact O-N 3.2Å; V529-S532 VanDerWaalsContact CG1-OG 3.26Å; V529-S532 WeakPolarHBondContact CG1-OG 3.43Å; V529-S532 PolarHBondContact O-N 3.31Å; V529-S532 PolarHBondContact O-OG 3.39Å; V529-V533 HydrophobicContact CG1-CG2 4.2Å; V529-I597 HydrophobicContact CG1-CD1 4.18Å; V529-I597 HydrophobicContact CG1-CG1 4.06Å; V529-I597 HydrophobicContact CG1-CG2 3.76Å; V529-I597 HydrophobicContact CG2-CG2 4.28Å; V529-L600 HydrophobicContact CG2-CD1 4.23Å
530E65Low63.1Low116 Ų11665.4 Ų65.454%0.54236%0.364SS..THydrogen-bonded Turntrans-58.8129-174.7-142.5164.8167.300111.7S526 L527 H742S526-E530 VanDerWaalsContact O-CB 3.31Å; S526-E530 WeakPolarHBondContact O-CB 3.33Å; S526-E530 PolarHBondContact O-N 3.48Å; L527-E530 PolarHBondContact O-N 2.98Å; E530-H742 IonicContact OE2-CE1 2.74Å; E530-H742 IonicContact OE2-ND1 3.02Å
531G56.4Low60.3Low80 Ų8069.5 Ų69.583%0.82539%0.392SS*.THydrogen-bonded Turntrans100-2.5-17600000116.1V529V529-G531 PolarHBondContact O-N 3.2Å
532S50.1Low57.6Low37 Ų3774.3 Ų74.326%0.25943%0.426SS..SBendtrans-108-15179.564.20000115.5V529 I597V529-S532 VanDerWaalsContact CG1-OG 3.26Å; V529-S532 WeakPolarHBondContact CG1-OG 3.43Å; V529-S532 PolarHBondContact O-N 3.31Å; V529-S532 PolarHBondContact O-OG 3.39Å; S532-I597 VanDerWaalsContact OG-CD1 3.25Å; S532-I597 WeakPolarHBondContact OG-CD1 3.08Å
533V43.9Very low54.9Low62 Ų6279 Ų7938%0.37645%0.448SS..SBendtrans-110118-177.8-173.90000108.2V529 D535V529-V533 HydrophobicContact CG1-CG2 4.2Å; V533-D535 PolarHBondContact O-N 3.06Å
534D36.1Very low52.3Low134 Ų13480.1 Ų80.172%0.71745%0.454SS*.  trans-58120.3172-87.5-37.2000109T536 E537D534-T536 PolarHBondContact O-N 3.38Å; D534-E537 PolarHBondContact O-N 3.33Å
535D36Very low49.6Very low143 Ų14384.2 Ų84.277%0.76548%0.477SS*.G310 helixtrans-53.6-10.6-179.5-78.3-44.3000114.2V533 E537 V538V533-D535 PolarHBondContact O-N 3.06Å; D535-E537 VanDerWaalsContact C-N 3.29Å; D535-E537 PolarHBondContact O-N 3.35Å; D535-V538 PolarHBondContact O-N 3.33Å
536T36.5Very low47.2Very low116 Ų11687.9 Ų87.971%0.71250%0.502SS*.G310 helixtrans-67.3-19.8179.346.30000114.6D534 V538D534-T536 PolarHBondContact O-N 3.38Å; T536-V538 VanDerWaalsContact C-N 3.34Å
537E33.7Very low44.8Very low146 Ų14689.2 Ų89.268%0.68251%0.506SS*.G310 helixtrans-78-16.7178.2-70.7-172.5170.100113.7D534 D535 E539D534-E537 PolarHBondContact O-N 3.33Å; D535-E537 VanDerWaalsContact C-N 3.29Å; D535-E537 PolarHBondContact O-N 3.35Å; E537-E539 PolarHBondContact O-N 2.86Å
538V36.4Very low42.3Very low50 Ų5090.3 Ų90.330%0.30352%0.515SS..THydrogen-bonded Turntrans-78.5-18.3-170.5-179.40000113.5D535 T536 N544 L547D535-V538 PolarHBondContact O-N 3.33Å; T536-V538 VanDerWaalsContact C-N 3.34Å; V538-N544 PolarHBondContact O-ND2 3.18Å; V538-L547 HydrophobicContact CB-CD1 4.3Å; V538-L547 HydrophobicContact CG1-CD1 3.72Å; V538-L547 HydrophobicContact CG2-CD1 3.97Å
539E32.3Very low39.8Very low173 Ų17390.8 Ų90.881%0.80852%0.522SS*.THydrogen-bonded Turntrans-93.6-4.4-172.8-69.2-161.1156.300115.6E537 P541E537-E539 PolarHBondContact O-N 2.86Å; E539-P541 WeakPolarHBondContact O-CD 3.4Å
540N30.2Very low37.8Very low103 Ų10392.7 Ų92.755%0.55153%0.529SS*.  trans-84.9109176.6-87.3-25.5000112.1S542 E543 N544N540-S542 PolarHBondContact O-N 3.22Å; N540-E543 PolarHBondContact O-N 3.22Å; N540-N544 PolarHBondContact O-N 2.78Å; N540-N544 PolarHBondContact O-ND2 2.74Å
541P32.9Very low36.2Very low101 Ų10189 Ų8966%0.65652%0.516SS*.THydrogen-bonded Turntrans-69.9-14-174.627.6-33.8000114.9E539E539-P541 WeakPolarHBondContact O-CD 3.4Å
542S34.8Very low35.4Very low106 Ų10692.4 Ų92.474%0.74150%0.504SS*.THydrogen-bonded Turntrans-74.4-27.5177.545.80000113.3N540N540-S542 PolarHBondContact O-N 3.22Å
543E32Very low34.7Very low146 Ų14694.1 Ų94.168%0.68251%0.507SS*.THydrogen-bonded Turntrans-104.3-1.1177.5-65.6-171.3164.400113N540 N545 V546N540-E543 PolarHBondContact O-N 3.22Å; E543-N545 PolarHBondContact O-N 2.86Å; E543-V546 WeakPolarHBondContact O-CG2 3.46Å; E543-V546 PolarHBondContact O-N 3.44Å; E543-V546 VanDerWaalsContact O-N 3.12Å
544N30.9Very low34.2Very low43 Ų4391.8 Ų91.823%0.2349%0.493CS..THydrogen-bonded Turntrans-65.614.6178.4-96.7-33.4000115.7V538 N540 S548V538-N544 PolarHBondContact O-ND2 3.18Å; N540-N544 PolarHBondContact O-N 2.78Å; N540-N544 PolarHBondContact O-ND2 2.74Å; N544-S548 PolarHBondContact O-N 3.47Å
545N33.7Very low34.1Very low100 Ų10086.9 Ų86.954%0.53547%0.468SS..THydrogen-bonded Turntrans-65.3-27.8158.5-78-9.5000111.2E543 L547 S548E543-N545 PolarHBondContact O-N 2.86Å; N545-L547 PolarHBondContact O-N 3.47Å; N545-S548 PolarHBondContact O-OG 3.3Å
546V36Very low34Very low121 Ų12186.3 Ų86.373%0.73346%0.461SS*.THydrogen-bonded Turntrans-71.1-31.8-175.9-1770000113.7E543E543-V546 WeakPolarHBondContact O-CG2 3.46Å; E543-V546 PolarHBondContact O-N 3.44Å; E543-V546 VanDerWaalsContact O-N 3.12Å
547L33.7Very low34Very low64 Ų6482 Ų8234%0.33544%0.435SS..THydrogen-bonded Turntrans-105.80.1178.9-71.4172.2000114.2V538 N545 G549 I871V538-L547 HydrophobicContact CB-CD1 4.3Å; V538-L547 HydrophobicContact CG1-CD1 3.72Å; V538-L547 HydrophobicContact CG2-CD1 3.97Å; N545-L547 PolarHBondContact O-N 3.47Å; L547-G549 PolarHBondContact O-N 3.19Å; L547-G549 VanDerWaalsContact O-N 3.12Å; L547-I871 WeakPolarHBondContact O-CG2 3.36Å
548S31.9Very low34Very low37 Ų3779 Ų7926%0.25943%0.428SS..  trans-73.84.3172.876.80000114.5N544 N545 F550 R867N544-S548 PolarHBondContact O-N 3.47Å; N545-S548 PolarHBondContact O-OG 3.3Å; S548-F550 PolarHBondContact O-N 3.45Å; S548-R867 VanDerWaalsContact CB-NH2 3.3Å; S548-R867 PolarHBondContact OG-NH2 3.16Å; S548-R867 VanDerWaalsContact OG-NH2 3.16Å
549G35.4Very low33.9Very low18 Ų1879.6 Ų79.619%0.18643%0.432CS..THydrogen-bonded Turntrans-93.146.6-170.100000116.4L547 V555L547-G549 PolarHBondContact O-N 3.19Å; L547-G549 VanDerWaalsContact O-N 3.12Å; G549-V555 VanDerWaalsContact C-CG2 3.48Å; G549-V555 VanDerWaalsContact CA-CG1 3.47Å; G549-V555 WeakPolarHBondContact O-CG1 3.43Å; G549-V555 WeakPolarHBondContact O-CG2 3.39Å
550F36.7Very low33.7Very low50 Ų5073.3 Ų73.322%0.21941%0.409CS..THydrogen-bonded Turntrans-115.6-6.3172.5-80.3-72.5000115.2S548 I871 T874 E875S548-F550 PolarHBondContact O-N 3.45Å; F550-I871 WeakPolarHBondContact CB-O 3.31Å; F550-I871 HydrophobicContact CD2-CG2 4.06Å; F550-T874 WeakPolarHBondContact CB-OG1 3.29Å; F550-T874 WeakPolarHBondContact O-CB 3.4Å; F550-T874 PolarHBondContact O-OG1 3.46Å; F550-T874 VanDerWaalsContact O-OG1 3.04Å; F550-E875 HydrophobicContact CB-CB 4.12Å; F550-E875 HydrophobicContact CD1-CB 3.95Å; F550-E875 HydrophobicContact CD1-CG 4.23Å; F550-E875 HydrophobicContact CD2-CB 4.1Å; F550-E875 HydrophobicContact CD2-CG 4.46Å; F550-E875 HydrophobicContact CE1-CB 4.4Å; F550-E875 HydrophobicContact CE1-CG 4.18Å; F550-E875 HydrophobicContact CE2-CG 4.41Å; F550-E875 HydrophobicContact CG-CB 3.77Å; F550-E875 HydrophobicContact CG-CG 4.36Å; F550-E875 HydrophobicContact CZ-CG 4.27Å
551C31Very low33.5Very low39 Ų3971.5 Ų71.526%0.26442%0.415SS..SBendtrans-67154.6-175.2-149.20000111F553 T874C551-F553 HydrophobicContact CB-CD2 3.37Å; C551-F553 HydrophobicContact CB-CE2 3.96Å; C551-F553 HydrophobicContact CB-CG 4.37Å; C551-F553 PolarHBondContact O-N 3.45Å; C551-F553 WeakPolarHBondContact SG-CD2 3.35Å; C551-F553 WeakPolarHBondContact SG-CE2 3.41Å; C551-T874 HydrophobicContact CB-CG2 4.16Å; C551-T874 PolarHBondContact N-OG1 2.9Å
552R38.8Very low33.4Very low151 Ų15172.1 Ų72.157%0.5742%0.417SS*.SBendtrans-55.61.1176.5-84.4-172.7178-172.3-3114.7Q982 F988R552-Q982 VanDerWaalsContact NH1-OE1 3.1Å; R552-F988 WeakPolarHBondContact O-CD2 3.23Å
553F36.3Very low33.3Very low74 Ų7470.6 Ų70.633%0.32542%0.418SS..SBendtrans-62.1149.9164.9-64.3-97.7000109.6C551 V555 D986C551-F553 HydrophobicContact CB-CD2 3.37Å; C551-F553 HydrophobicContact CB-CE2 3.96Å; C551-F553 HydrophobicContact CB-CG 4.37Å; C551-F553 PolarHBondContact O-N 3.45Å; C551-F553 WeakPolarHBondContact SG-CD2 3.35Å; C551-F553 WeakPolarHBondContact SG-CE2 3.41Å; F553-V555 PolarHBondContact O-N 3.02Å; F553-D986 HydrophobicContact CE1-CB 4.41Å; F553-D986 WeakPolarHBondContact CE1-O 3.33Å; F553-D986 HydrophobicContact CE2-CB 4.24Å; F553-D986 HydrophobicContact CZ-CB 3.79Å; F553-D986 WeakPolarHBondContact CZ-O 3.01Å
554P32.8Very low33Very low13 Ų1368.8 Ų68.88%0.08441%0.41CS..  trans-54.594.2150.9-16.629.9000108.3Y896 P901 F988P554-Y896 WeakPolarHBondContact CA-OH 3.47Å; P554-Y896 WeakPolarHBondContact CB-OH 3.32Å; P554-Y896 HydrophobicContact CG-CE2 4.18Å; P554-P901 HydrophobicContact CB-CB 4.12Å; P554-F988 HydrophobicContact CG-CE2 4.35Å
555V34.5Very low32.8Very low31 Ų3171 Ų7119%0.18843%0.426CS..  trans-46.4145.7174.31710000107.6G549 F553 S557G549-V555 VanDerWaalsContact C-CG2 3.48Å; G549-V555 VanDerWaalsContact CA-CG1 3.47Å; G549-V555 WeakPolarHBondContact O-CG1 3.43Å; G549-V555 WeakPolarHBondContact O-CG2 3.39Å; F553-V555 PolarHBondContact O-N 3.02Å; V555-S557 PolarHBondContact O-N 3.38Å
556E32.7Very low32.6Very low131 Ų13171.8 Ų71.861%0.61244%0.438SS*.  trans-60.374152.7-69179173.300107.1
557S36.4Very low32.7Very low24 Ų2469.4 Ų69.417%0.16842%0.416CS..  trans-49.3136.5153.3171.30000103.6V555 V559V555-S557 PolarHBondContact O-N 3.38Å; S557-V559 PolarHBondContact O-N 3.21Å
558P35.1Very low32.9Very low83 Ų8368.7 Ų68.754%0.53942%0.417SS..  trans-68.650.6174.332.2-34.9000109.8A560 Y567P558-A560 VanDerWaalsContact C-N 3.32Å; P558-A560 PolarHBondContact O-N 2.8Å; P558-A560 VanDerWaalsContact O-N 3.15Å; P558-Y567 PolarHBondContact O-OH 3Å
559V33Very low33.5Very low63 Ų6368.7 Ų68.738%0.38241%0.414SS..  trans-60.4102.4146.1-176.80000104.7S557 G561 Y567S557-V559 PolarHBondContact O-N 3.21Å; V559-G561 PolarHBondContact O-N 3.49Å; V559-Y567 VanDerWaalsContact CA-OH 3.31Å; V559-Y567 WeakPolarHBondContact CA-OH 3.36Å; V559-Y567 HydrophobicContact CG1-CE2 4.26Å
560A28.1Very low34.1Very low41 Ų4170 Ų7034%0.33942%0.417SS..  trans-49.6134.1-179.900000109.6P558 E564 Y567P558-A560 VanDerWaalsContact C-N 3.32Å; P558-A560 PolarHBondContact O-N 2.8Å; P558-A560 VanDerWaalsContact O-N 3.15Å; A560-E564 HydrophobicContact CB-CB 4.13Å; A560-E564 HydrophobicContact CB-CG 4.33Å; A560-E564 VanDerWaalsContact CB-OE2 3.29Å; A560-E564 WeakPolarHBondContact CB-OE2 3.43Å; A560-Y567 PolarHBondContact N-OH 2.79Å
561G27.9Very low34.3Very low65 Ų6569.6 Ų69.667%0.6742%0.417SS*.  trans-59.3148.6170.100000110.8V559 G563V559-G561 PolarHBondContact O-N 3.49Å; G561-G563 PolarHBondContact O-N 3.13Å
562V30.3Very low35.2Very low115 Ų11568.8 Ų68.870%0.69741%0.41SS*.THydrogen-bonded Turntrans-24.1110.4172.9-177.60000113.7
563G32.1Very low35.5Very low74 Ų7465.6 Ų65.676%0.76341%0.411SS*.THydrogen-bonded Turntrans145.1-28.1175.900000113.6G561G561-G563 PolarHBondContact O-N 3.13Å
564E26.5Very low35.7Very low108 Ų10865 Ų6551%0.50543%0.426SS..SBendtrans-85.8133.1166.5-70.7-169.2163.300109.5A560 R602A560-E564 HydrophobicContact CB-CB 4.13Å; A560-E564 HydrophobicContact CB-CG 4.33Å; A560-E564 VanDerWaalsContact CB-OE2 3.29Å; A560-E564 WeakPolarHBondContact CB-OE2 3.43Å; E564-R602 IonicContact OE2-NH2 3.37Å; E564-R602 PolarHBondContact OE2-NH2 3.35Å
565P26.7Very low36.4Very low90 Ų9067.9 Ų67.958%0.58444%0.44SS*.  trans-56.7145.5-177.7-16.127.6000110.8Y567P565-Y567 PolarHBondContact O-N 2.93Å
566C28.9Very low37.4Very low116 Ų11670 Ų7078%0.78445%0.454SS*.SBendtrans-50.6107.9174.7-171.60000108.6S568C566-S568 VanDerWaalsContact C-N 3.29Å; C566-S568 PolarHBondContact O-N 2.97Å
567Y37.6Very low38.3Very low70 Ų7068.8 Ų68.828%0.27545%0.451SS..  trans-29.888.1-169.8-58.5-77.7000112.4P558 V559 A560 P565 R602P558-Y567 PolarHBondContact O-OH 3Å; V559-Y567 VanDerWaalsContact CA-OH 3.31Å; V559-Y567 WeakPolarHBondContact CA-OH 3.36Å; V559-Y567 HydrophobicContact CG1-CE2 4.26Å; A560-Y567 PolarHBondContact N-OH 2.79Å; P565-Y567 PolarHBondContact O-N 2.93Å; Y567-R602 HydrophobicContact CE1-CG 4.08Å
568S37.7Very low39.6Very low49 Ų4970 Ų7034%0.34345%0.454SS..  trans-63.8143.2165.2171.70000105.9C566 D570 D571C566-S568 VanDerWaalsContact C-N 3.29Å; C566-S568 PolarHBondContact O-N 2.97Å; S568-D570 PolarHBondContact O-N 3.4Å; S568-D570 PolarHBondContact OG-N 2.83Å; S568-D571 VanDerWaalsContact CB-CG 3.45Å; S568-D571 WeakPolarHBondContact CB-OD2 3.36Å; S568-D571 PolarHBondContact N-OD2 3.43Å; S568-D571 PolarHBondContact O-N 3.07Å
569D45.9Very low40.8Very low38 Ų3868.2 Ų68.220%0.20344%0.439CS..THydrogen-bonded Turntrans-55.5-14.2171.5-71-38.4000111.5N610D569-N610 PolarHBondContact OD2-ND2 3.27Å; D569-N610 VanDerWaalsContact OD2-ND2 3.13Å
570D47Very low42.3Very low44 Ų4469.5 Ų69.524%0.23544%0.441CS..THydrogen-bonded Turntrans-112.19.4179.7-45.2-45.9000114.3S568 D572 R1027S568-D570 PolarHBondContact O-N 3.4Å; S568-D570 PolarHBondContact OG-N 2.83Å; D570-D572 PolarHBondContact O-N 3.16Å; D570-R1027 HydrophobicContact CB-CB 4.44Å
571D42.1Very low44.1Very low42 Ų4272.7 Ų72.723%0.22545%0.449CS..  trans-83.713174.5-78.8-32000113.5S568 S573S568-D571 VanDerWaalsContact CB-CG 3.45Å; S568-D571 WeakPolarHBondContact CB-OD2 3.36Å; S568-D571 PolarHBondContact N-OD2 3.43Å; S568-D571 PolarHBondContact O-N 3.07Å; D571-S573 PolarHBondContact O-N 3.42Å
572D49Very low46.1Very low23 Ų2369.6 Ų69.612%0.12342%0.417CS..SBendtrans-66.176.6148.7-81.1-9.4000105.9D570 G574 R627D570-D572 PolarHBondContact O-N 3.16Å; D572-G574 PolarHBondContact O-N 2.95Å; D572-R627 IonicContact OD2-CZ 3.76Å; D572-R627 IonicContact OD2-NH1 3.82Å; D572-R627 PolarHBondContact OD2-NH1 3.24Å
573S44.2Very low47.7Very low84 Ų8464.6 Ų64.659%0.58739%0.387SS*.  trans-40.4111.3171.654.50000106.8D571 N575D571-S573 PolarHBondContact O-N 3.42Å; S573-N575 PolarHBondContact O-N 3.13Å
574G41Very low49.1Very low62 Ų6263 Ų6364%0.63937%0.37SS*.  trans-59.472.1-172.700000112.8D572 T576D572-G574 PolarHBondContact O-N 2.95Å; G574-T576 PolarHBondContact O-N 3.38Å
575N48.2Very low50.7Low72 Ų7258.9 Ų58.939%0.38535%0.352SS..  trans-74.483.4153.6-158.519000104S573 D577 E578S573-N575 PolarHBondContact O-N 3.13Å; N575-D577 PolarHBondContact O-N 2.94Å; N575-D577 VanDerWaalsContact O-N 3.1Å; N575-E578 HydrophobicContact CB-CG 4.46Å; N575-E578 PolarHBondContact ND2-OE1 2.94Å; N575-E578 PolarHBondContact O-N 3.01Å
576T55Low52.1Low76 Ų7657.9 Ų57.947%0.46634%0.344SS..Hα-helixtrans-44.3-43.3178430000109G574 E578 E579 E580G574-T576 PolarHBondContact O-N 3.38Å; T576-E578 VanDerWaalsContact C-N 3.3Å; T576-E578 PolarHBondContact O-N 2.75Å; T576-E578 VanDerWaalsContact O-N 3.12Å; T576-E579 CarbonylContact O-C 3.6Å; T576-E579 PolarHBondContact O-N 3.43Å; T576-E580 WeakPolarHBondContact O-CB 3.41Å; T576-E580 WeakPolarHBondContact O-CG 3.45Å; T576-E580 PolarHBondContact O-N 2.94Å
577D51.9Low53.9Low105 Ų10558.6 Ų58.656%0.56134%0.336SS*.Hα-helixtrans-48.9-40.4177.5-56.24.3000114.7N575 E581N575-D577 PolarHBondContact O-N 2.94Å; N575-D577 VanDerWaalsContact O-N 3.1Å; D577-E581 PolarHBondContact O-N 3.2Å
578E63Low55.1Low51 Ų5157 Ų5724%0.23834%0.335CS..Hα-helixtrans-77.5-35.1179.1-75.6178.7-149.800112.6N575 T576 E580 E581 E582 I595N575-E578 HydrophobicContact CB-CG 4.46Å; N575-E578 PolarHBondContact ND2-OE1 2.94Å; N575-E578 PolarHBondContact O-N 3.01Å; T576-E578 VanDerWaalsContact C-N 3.3Å; T576-E578 PolarHBondContact O-N 2.75Å; T576-E578 VanDerWaalsContact O-N 3.12Å; E578-E580 VanDerWaalsContact C-N 3.29Å; E578-E581 PolarHBondContact O-N 3.32Å; E578-E582 PolarHBondContact O-N 3.15Å; E578-I595 HydrophobicContact CB-CB 4.31Å; E578-I595 HydrophobicContact CB-CD1 4.17Å
579E61.7Low56.5Low45 Ų4561.7 Ų61.721%0.2136%0.357CS..Hα-helixtrans-69.2-34.2171.9-63.5-166.1168.700111T576 E582 A583 I595 R623T576-E579 CarbonylContact O-C 3.6Å; T576-E579 PolarHBondContact O-N 3.43Å; E579-E582 PolarHBondContact O-N 2.97Å; E579-A583 PolarHBondContact O-N 2.92Å; E579-A583 VanDerWaalsContact O-N 3.13Å; E579-I595 HydrophobicContact CG-CD1 3.89Å; E579-R623 IonicContact OE1-CZ 3.82Å; E579-R623 IonicContact OE1-NH1 3.47Å; E579-R623 PolarHBondContact OE1-NH1 3.24Å; E579-R623 IonicContact OE1-NH2 2.8Å; E579-R623 IonicContact OE2-CZ 3.82Å; E579-R623 IonicContact OE2-NH1 3.6Å; E579-R623 PolarHBondContact OE2-NH1 3.17Å; E579-R623 IonicContact OE2-NH2 2.98Å; E579-R623 PolarHBondContact OE2-NH2 3.47Å
580E63.2Low57.5Low90 Ų9061.1 Ų61.142%0.42136%0.357SS..Hα-helixtrans-66.3-39.4175.1-69.4-171.7-156.600111.6T576 E578 E582 A583 G584 K1041T576-E580 WeakPolarHBondContact O-CB 3.41Å; T576-E580 WeakPolarHBondContact O-CG 3.45Å; T576-E580 PolarHBondContact O-N 2.94Å; E578-E580 VanDerWaalsContact C-N 3.29Å; E580-E582 VanDerWaalsContact C-N 3.33Å; E580-E582 PolarHBondContact O-N 2.9Å; E580-A583 PolarHBondContact O-N 2.87Å; E580-G584 PolarHBondContact O-N 3.44Å; E580-K1041 VanDerWaalsContact CB-NZ 3.29Å; E580-K1041 IonicContact OE2-NZ 2.79Å; E580-K1041 PolarHBondContact OE2-NZ 2.87Å
581E65.7Low58.7Low108 Ų10863.7 Ų63.751%0.50538%0.376SS..Hα-helixtrans-62.6-38.2172.9-168.6-179.2-171.900111.7D577 E578 L585D577-E581 PolarHBondContact O-N 3.2Å; E578-E581 PolarHBondContact O-N 3.32Å; E581-L585 PolarHBondContact O-N 3.28Å
582E71Confident60.2Low0 Ų063 Ų630%037%0.372CS..Hα-helixtrans-68.2-39.5178.6-176.9173.4-147.900112.7E578 E579 E580 I595 C596 R627 T658 P659E578-E582 PolarHBondContact O-N 3.15Å; E579-E582 PolarHBondContact O-N 2.97Å; E580-E582 VanDerWaalsContact C-N 3.33Å; E580-E582 PolarHBondContact O-N 2.9Å; E582-I595 HydrophobicContact CB-CG2 4.14Å; E582-C596 PolarHBondContact OE1-SG 3.3Å; E582-R627 WeakPolarHBondContact OE1-CG 3.37Å; E582-R627 IonicContact OE1-NE 2.83Å; E582-R627 PolarHBondContact OE1-NE 2.9Å; E582-R627 VanDerWaalsContact OE1-NE 3.16Å; E582-R627 IonicContact OE2-CZ 2.71Å; E582-R627 IonicContact OE2-NE 2.7Å; E582-R627 PolarHBondContact OE2-NE 2.9Å; E582-R627 IonicContact OE2-NH2 3.42Å; E582-R627 PolarHBondContact OE2-NH2 3.33Å; E582-T658 WeakPolarHBondContact O-CG2 3.4Å; E582-P659 HydrophobicContact CG-CG 4.32Å; E582-P659 WeakPolarHBondContact OE1-CD 3.3Å; E582-P659 WeakPolarHBondContact OE1-CG 3.42Å
583A63.1Low61.5Low10 Ų1062.2 Ų62.28%0.08337%0.368CS..Hα-helixtrans-74.3-34.5176.500000112.7E579 E580 L585 Y660 N1042E579-A583 PolarHBondContact O-N 2.92Å; E579-A583 VanDerWaalsContact O-N 3.13Å; E580-A583 PolarHBondContact O-N 2.87Å; A583-L585 VanDerWaalsContact C-N 3.3Å; A583-L585 PolarHBondContact O-N 3.13Å; A583-Y660 HydrophobicContact CB-CE2 4.31Å; A583-N1042 PolarHBondContact O-ND2 3.48Å; A583-N1042 PolarHBondContact O-OD1 3.3Å
584G60.8Low63.1Low39 Ų3965.5 Ų65.540%0.40237%0.372SS..THydrogen-bonded Turntrans-825.6-178.100000115.6E580 T586E580-G584 PolarHBondContact O-N 3.44Å; G584-T586 PolarHBondContact O-N 2.73Å
585L61.2Low64.9Low23 Ų2362.9 Ų62.912%0.1234%0.343CS..  trans-61.8106.2174.3-78.3172.3000110.6E581 A583 A590 P593 P656 T658E581-L585 PolarHBondContact O-N 3.28Å; A583-L585 VanDerWaalsContact C-N 3.3Å; A583-L585 PolarHBondContact O-N 3.13Å; L585-A590 HydrophobicContact CD2-CB 3.51Å; L585-P593 HydrophobicContact CD1-CG 3.5Å; L585-P593 VanDerWaalsContact CD1-CG 3.5Å; L585-P593 HydrophobicContact CD2-CG 4.39Å; L585-P593 HydrophobicContact CG-CG 4.2Å; L585-P656 HydrophobicContact CB-CB 4.42Å; L585-P656 WeakPolarHBondContact O-CB 3.49Å; L585-P656 WeakPolarHBondContact O-CG 3.45Å; L585-T658 HydrophobicContact CB-CG2 4.29Å; L585-T658 HydrophobicContact CD1-CG2 4.39Å
586T56.8Low66.4Low69 Ų6959.5 Ų59.542%0.42333%0.325SS..  trans-90.3-23.8178.4540000113.4G584G584-T586 PolarHBondContact O-N 2.73Å
587E64.8Low67.6Low130 Ų13056.7 Ų56.761%0.60731%0.307SS*.  trans-113138.7-172.9-65.1-175.9-173.800112.2N589 A590E587-N589 VanDerWaalsContact C-N 3.3Å; E587-N589 PolarHBondContact O-N 2.73Å; E587-A590 HydrophobicContact CB-CB 4.48Å; E587-A590 WeakPolarHBondContact O-CB 3.25Å; E587-A590 PolarHBondContact O-N 3.27Å
588S64.2Low68.9Low38 Ų3854.9 Ų54.927%0.26629%0.294SS..THydrogen-bonded Turntrans-67.8-27.1177.757.40000114S653 F655S588-S653 WeakPolarHBondContact CB-O 3.21Å; S588-S653 PolarHBondContact OG-O 3.44Å; S588-F655 WeakPolarHBondContact CB-O 3.33Å
589N65.9Low69.8Low147 Ų14752.9 Ų52.979%0.78629%0.286SS*.THydrogen-bonded Turntrans-90.52.5-179.8-68.6-27.3000113.8E587E587-N589 VanDerWaalsContact C-N 3.3Å; E587-N589 PolarHBondContact O-N 2.73Å
590A67.9Low70.8Confident25 Ų2551.1 Ų51.121%0.20728%0.278CS..SBendtrans-60.6143.6178.200000111.1L585 E587L585-A590 HydrophobicContact CD2-CB 3.51Å; E587-A590 HydrophobicContact CB-CB 4.48Å; E587-A590 WeakPolarHBondContact O-CB 3.25Å; E587-A590 PolarHBondContact O-N 3.27Å
591P72Confident71.5Confident99 Ų9952.3 Ų52.364%0.64328%0.279SS*.PPolyproline II helixtrans-57153.7176.224.3-32.8000110.9P593P591-P593 WeakPolarHBondContact O-CD 3.22Å
592L74.5Confident72.2Confident28 Ų2849.3 Ų49.315%0.14726%0.262CS..PPolyproline II helixtrans-61.1127178.9-151.183.4000109.4K594 C596 I597 V631L592-K594 PolarHBondContact O-N 3.11Å; L592-C596 HydrophobicContact CD2-CB 3.84Å; L592-C596 HydrophobicContact CG-CB 3.99Å; L592-I597 HydrophobicContact CB-CG1 4.3Å; L592-I597 HydrophobicContact CD2-CG1 3.71Å; L592-I597 HydrophobicContact CG-CG1 4.46Å; L592-V631 HydrophobicContact CD1-CG1 4.48Å; L592-V631 HydrophobicContact CD1-CG2 4.07Å; L592-V631 HydrophobicContact CD2-CG2 4.04Å
593P75.7Confident72.8Confident5 Ų549.4 Ų49.43%0.03226%0.263CS..PPolyproline II helixtrans-55140.4176.6-27.234.5000111.4L585 P591 I595 C596 I597L585-P593 HydrophobicContact CD1-CG 3.5Å; L585-P593 VanDerWaalsContact CD1-CG 3.5Å; L585-P593 HydrophobicContact CD2-CG 4.39Å; L585-P593 HydrophobicContact CG-CG 4.2Å; P591-P593 WeakPolarHBondContact O-CD 3.22Å; P593-I595 HydrophobicContact CB-CG2 4Å; P593-I595 PolarHBondContact O-N 3.08Å; P593-I595 VanDerWaalsContact O-N 3.13Å; P593-C596 WeakPolarHBondContact O-CB 3.45Å; P593-C596 PolarHBondContact O-N 3.24Å; P593-I597 PolarHBondContact O-N 3.43Å
594K77.3Confident73.9Confident153 Ų15349.9 Ų49.967%0.66527%0.269SS*.Hα-helixtrans-55.1-35.6-179.3-68.7179.1-179.2174.20111.8L592 C596 I597 K598L592-K594 PolarHBondContact O-N 3.11Å; K594-C596 PolarHBondContact O-N 2.65Å; K594-I597 PolarHBondContact O-N 3.49Å; K594-K598 WeakPolarHBondContact O-CB 3.36Å; K594-K598 PolarHBondContact O-N 3.49Å
595I79Confident75.3Confident8 Ų848.5 Ų48.54%0.04125%0.252CS..Hα-helixtrans-64.6-36.3177-164.5162.8000112.8E578 E579 E582 P593 K598 S599 R627E578-I595 HydrophobicContact CB-CB 4.31Å; E578-I595 HydrophobicContact CB-CD1 4.17Å; E579-I595 HydrophobicContact CG-CD1 3.89Å; E582-I595 HydrophobicContact CB-CG2 4.14Å; P593-I595 HydrophobicContact CB-CG2 4Å; P593-I595 PolarHBondContact O-N 3.08Å; P593-I595 VanDerWaalsContact O-N 3.13Å; I595-K598 PolarHBondContact O-N 3.07Å; I595-S599 WeakPolarHBondContact O-CB 3.25Å; I595-S599 PolarHBondContact O-N 2.87Å; I595-S599 PolarHBondContact O-OG 3.43Å; I595-R627 VanDerWaalsContact CD1-NH2 3.32Å
596C80Confident76.4Confident0 Ų054.3 Ų54.30%028%0.276CS..Hα-helixtrans-65.8-43.1174.7-55.60000110.8E582 L592 P593 K594 S599 L600 V631E582-C596 PolarHBondContact OE1-SG 3.3Å; L592-C596 HydrophobicContact CD2-CB 3.84Å; L592-C596 HydrophobicContact CG-CB 3.99Å; P593-C596 WeakPolarHBondContact O-CB 3.45Å; P593-C596 PolarHBondContact O-N 3.24Å; K594-C596 PolarHBondContact O-N 2.65Å; C596-S599 PolarHBondContact O-N 2.75Å; C596-L600 PolarHBondContact O-N 3.27Å; C596-V631 HydrophobicContact CB-CG2 4.49Å
597I80Confident77.9Confident17 Ų1752 Ų529%0.08726%0.26CS..Hα-helixtrans-61.1-49176.8-56.6172.4000110.2V529 S532 L592 P593 K594 S599 L600 R601V529-I597 HydrophobicContact CG1-CD1 4.18Å; V529-I597 HydrophobicContact CG1-CG1 4.06Å; V529-I597 HydrophobicContact CG1-CG2 3.76Å; V529-I597 HydrophobicContact CG2-CG2 4.28Å; S532-I597 VanDerWaalsContact OG-CD1 3.25Å; S532-I597 WeakPolarHBondContact OG-CD1 3.08Å; L592-I597 HydrophobicContact CB-CG1 4.3Å; L592-I597 HydrophobicContact CD2-CG1 3.71Å; L592-I597 HydrophobicContact CG-CG1 4.46Å; P593-I597 PolarHBondContact O-N 3.43Å; K594-I597 PolarHBondContact O-N 3.49Å; I597-S599 VanDerWaalsContact C-N 3.31Å; I597-S599 PolarHBondContact O-N 3.08Å; I597-L600 PolarHBondContact O-N 3.09Å; I597-R601 WeakPolarHBondContact O-CG 3.42Å; I597-R601 PolarHBondContact O-N 3.29Å
598K79.8Confident79.2Confident68 Ų6845.8 Ų45.830%0.29623%0.231SC..Hα-helixtrans-61.7-40.2177.7-173.4178.2176-173.80111.5K594 I595 R601 R602K594-K598 WeakPolarHBondContact O-CB 3.36Å; K594-K598 PolarHBondContact O-N 3.49Å; I595-K598 PolarHBondContact O-N 3.07Å; K598-R601 PolarHBondContact O-N 3.24Å; K598-R602 WeakPolarHBondContact O-CB 3.26Å; K598-R602 VanDerWaalsContact O-CG 3.3Å; K598-R602 WeakPolarHBondContact O-CG 3.14Å; K598-R602 PolarHBondContact O-N 3.09Å; K598-R602 VanDerWaalsContact O-N 3.13Å
599S80.5Confident80.5Confident9 Ų945.3 Ų45.36%0.06323%0.225CC..Hα-helixtrans-63.7-46.6177.7-64.60000111.9I595 C596 I597 R602 L603 R627I595-S599 WeakPolarHBondContact O-CB 3.25Å; I595-S599 PolarHBondContact O-N 2.87Å; I595-S599 PolarHBondContact O-OG 3.43Å; C596-S599 PolarHBondContact O-N 2.75Å; I597-S599 VanDerWaalsContact C-N 3.31Å; I597-S599 PolarHBondContact O-N 3.08Å; S599-R602 CarbonylContact O-C 3.5Å; S599-R602 PolarHBondContact O-N 2.83Å; S599-L603 PolarHBondContact O-N 3.43Å; S599-R627 WeakPolarHBondContact OG-CD 3.4Å; S599-R627 PolarHBondContact OG-NH1 3.32Å
600L83.1Confident81.6Confident8 Ų840.6 Ų40.64%0.04220%0.2CC..Hα-helixtrans-62.2-44.6176.4-80.8176.7000112.1F521 L528 V529 C596 I597 R602 L603 P628 V631F521-L600 HydrophobicContact CD1-CD2 4.01Å; F521-L600 HydrophobicContact CE1-CD2 4.5Å; L528-L600 HydrophobicContact CB-CD1 4.4Å; V529-L600 HydrophobicContact CG2-CD1 4.23Å; C596-L600 PolarHBondContact O-N 3.27Å; I597-L600 PolarHBondContact O-N 3.09Å; L600-R602 PolarHBondContact O-N 3.44Å; L600-L603 HydrophobicContact CD2-CD2 4.42Å; L600-L603 WeakPolarHBondContact O-CB 3.35Å; L600-L603 PolarHBondContact O-N 2.82Å; L600-P628 HydrophobicContact CD2-CB 4.32Å; L600-P628 HydrophobicContact CD2-CG 4.4Å; L600-V631 HydrophobicContact CD1-CB 4.11Å; L600-V631 HydrophobicContact CD1-CG1 3.87Å; L600-V631 HydrophobicContact CD1-CG2 3.76Å; L600-V631 HydrophobicContact CG-CG2 4.43Å
601R78.2Confident82.7Confident115 Ų11539.4 Ų39.443%0.43419%0.19SC..Hα-helixtrans-58.1-31.5175-72.4179.6-170.2178.53.5112.6H525 I597 K598H525-R601 WeakPolarHBondContact NE2-CG 3.48Å; I597-R601 WeakPolarHBondContact O-CG 3.42Å; I597-R601 PolarHBondContact O-N 3.29Å; K598-R601 PolarHBondContact O-N 3.24Å
602R79.4Confident83.6Confident44 Ų4434.7 Ų34.717%0.16616%0.159CC..THydrogen-bonded Turntrans-95.55.1-179.8-66.8175.3173.4-163.6-9.4113E564 Y567 K598 S599 L600 G604 R607E564-R602 IonicContact OE2-NH2 3.37Å; E564-R602 PolarHBondContact OE2-NH2 3.35Å; Y567-R602 HydrophobicContact CE1-CG 4.08Å; K598-R602 WeakPolarHBondContact O-CB 3.26Å; K598-R602 VanDerWaalsContact O-CG 3.3Å; K598-R602 WeakPolarHBondContact O-CG 3.14Å; K598-R602 PolarHBondContact O-N 3.09Å; K598-R602 VanDerWaalsContact O-N 3.13Å; S599-R602 CarbonylContact O-C 3.5Å; S599-R602 PolarHBondContact O-N 2.83Å; L600-R602 PolarHBondContact O-N 3.44Å; R602-G604 VanDerWaalsContact C-N 3.34Å; R602-G604 PolarHBondContact O-N 3.44Å; R602-R607 VanDerWaalsContact CB-NH1 3.29Å; R602-R607 WeakPolarHBondContact O-CD 3.31Å; R602-R607 PolarHBondContact O-NH1 2.98Å
603L84.8Confident84.4Confident3 Ų334.1 Ų34.12%0.01616%0.157CC..  trans-80.376.9-175.4-171.975.9000111.1F521 H522 S599 L600 L608 S624 P628F521-L603 HydrophobicContact CB-CD2 4.04Å; F521-L603 HydrophobicContact CD1-CD2 4.42Å; F521-L603 HydrophobicContact CD2-CD2 3.74Å; F521-L603 HydrophobicContact CE2-CD2 4.32Å; F521-L603 HydrophobicContact CG-CD2 3.82Å; H522-L603 PolarHBondContact CE1-O 2.96Å; S599-L603 PolarHBondContact O-N 3.43Å; L600-L603 HydrophobicContact CD2-CD2 4.42Å; L600-L603 WeakPolarHBondContact O-CB 3.35Å; L600-L603 PolarHBondContact O-N 2.82Å; L603-L608 HydrophobicContact CD1-CB 4.38Å; L603-L608 HydrophobicContact CD1-CD1 4.33Å; L603-S624 WeakPolarHBondContact CD1-O 3.49Å; L603-P628 HydrophobicContact CD1-CG 3.94Å; L603-P628 HydrophobicContact CD2-CB 4.12Å; L603-P628 HydrophobicContact CD2-CG 3.57Å; L603-P628 HydrophobicContact CG-CG 4.39Å
604G85.5Confident84.9Confident19 Ų1936.4 Ų36.420%0.19617%0.171CC..  trans-81.1166.9174.600000113.8R602 K606 R607 L608R602-G604 VanDerWaalsContact C-N 3.34Å; R602-G604 PolarHBondContact O-N 3.44Å; G604-K606 PolarHBondContact O-N 3.32Å; G604-R607 PolarHBondContact O-N 2.88Å; G604-R607 VanDerWaalsContact O-N 3.16Å; G604-L608 PolarHBondContact O-N 3.33Å
605L90.2Very high85.2Confident11 Ų1134.3 Ų34.36%0.05817%0.167CC..Hα-helixtrans-53.7-41.5178.4179.265000112.4F511 L514 L515 T518 L609 C899 F905F511-L605 HydrophobicContact CE2-CD1 4.29Å; F511-L605 HydrophobicContact CE2-CD2 4.1Å; F511-L605 HydrophobicContact CZ-CD2 4.05Å; L514-L605 HydrophobicContact CG-CD1 4.43Å; L515-L605 HydrophobicContact CD1-CD1 3.94Å; L515-L605 HydrophobicContact CD1-CD2 3.73Å; L515-L605 HydrophobicContact CD1-CG 4.42Å; T518-L605 HydrophobicContact CG2-CB 4.27Å; L605-L609 WeakPolarHBondContact O-CB 3.47Å; L605-L609 PolarHBondContact O-N 3.44Å; L605-C899 PolarHBondContact N-O 2.91Å; L605-F905 HydrophobicContact CD2-CE1 4.29Å; L605-F905 HydrophobicContact CD2-CZ 3.83Å
606K85.7Confident85.4Confident144 Ų14441.1 Ų41.163%0.62620%0.204SC*.Hα-helixtrans-61.7-46.4179.7-173-178.4177.7-1730112.6G604 L609 N610G604-K606 PolarHBondContact O-N 3.32Å; K606-L609 PolarHBondContact O-N 3.26Å; K606-N610 WeakPolarHBondContact O-CB 3.37Å; K606-N610 VanDerWaalsContact O-CG 3.28Å; K606-N610 PolarHBondContact O-N 3.13Å; K606-N610 PolarHBondContact O-OD1 3.13Å
607R87.6Confident85.7Confident21 Ų2141.3 Ų41.38%0.07921%0.205CC..Hα-helixtrans-66.4-43.5-178.8-74.3179.878.2-153.37.8111.3R602 G604 N610 A611R602-R607 VanDerWaalsContact CB-NH1 3.29Å; R602-R607 WeakPolarHBondContact O-CD 3.31Å; R602-R607 PolarHBondContact O-NH1 2.98Å; G604-R607 PolarHBondContact O-N 2.88Å; G604-R607 VanDerWaalsContact O-N 3.16Å; R607-N610 PolarHBondContact O-N 2.93Å; R607-A611 WeakPolarHBondContact O-CB 3.5Å; R607-A611 PolarHBondContact O-N 3.46Å
608L91.7Very high86.1Confident0 Ų041.9 Ų41.90%021%0.211CC..Hα-helixtrans-70.7-36.9179.1-167.262.5000111.8L514 L603 G604 A611 I612 S624 L726L514-L608 HydrophobicContact CD1-CB 4.43Å; L514-L608 HydrophobicContact CD1-CD2 3.52Å; L514-L608 HydrophobicContact CD1-CG 3.72Å; L603-L608 HydrophobicContact CD1-CB 4.38Å; L603-L608 HydrophobicContact CD1-CD1 4.33Å; G604-L608 PolarHBondContact O-N 3.33Å; L608-A611 PolarHBondContact O-N 3.27Å; L608-I612 HydrophobicContact CD1-CD1 4.25Å; L608-I612 HydrophobicContact CG-CD1 3.94Å; L608-I612 WeakPolarHBondContact O-CB 3.43Å; L608-I612 WeakPolarHBondContact O-CG1 3.46Å; L608-I612 PolarHBondContact O-N 3.38Å; L608-S624 WeakPolarHBondContact CD1-O 3.31Å; L608-L726 HydrophobicContact CD1-CD1 4.11Å; L608-L726 HydrophobicContact CD2-CD1 4.35Å
609L91.7Very high86.4Confident28 Ų2839 Ų3915%0.14720%0.2CC..Hα-helixtrans-61.3-45.7172.5-178.566.6000111.8F506 L514 L605 K606 I612 T613F506-L609 HydrophobicContact CD1-CD1 4Å; F506-L609 HydrophobicContact CE1-CD1 3.7Å; F506-L609 HydrophobicContact CZ-CD1 4.3Å; L514-L609 HydrophobicContact CD2-CB 3.98Å; L514-L609 HydrophobicContact CD2-CD1 3.58Å; L514-L609 HydrophobicContact CD2-CG 4.41Å; L605-L609 WeakPolarHBondContact O-CB 3.47Å; L605-L609 PolarHBondContact O-N 3.44Å; K606-L609 PolarHBondContact O-N 3.26Å; L609-I612 PolarHBondContact O-N 3.3Å; L609-T613 HydrophobicContact CD1-CG2 3.77Å; L609-T613 HydrophobicContact CG-CG2 4.39Å; L609-T613 WeakPolarHBondContact O-CB 3.45Å; L609-T613 WeakPolarHBondContact O-CG2 3.31Å; L609-T613 PolarHBondContact O-N 3.48Å; L609-T613 PolarHBondContact O-OG1 3.21Å
610N89Confident86.6Confident47 Ų4739 Ų3925%0.25120%0.2SC..Hα-helixtrans-59.3-47174.4-76.35000111.2D569 K606 R607 I612 T613 T614D569-N610 PolarHBondContact OD2-ND2 3.27Å; D569-N610 VanDerWaalsContact OD2-ND2 3.13Å; K606-N610 WeakPolarHBondContact O-CB 3.37Å; K606-N610 VanDerWaalsContact O-CG 3.28Å; K606-N610 PolarHBondContact O-N 3.13Å; K606-N610 PolarHBondContact O-OD1 3.13Å; R607-N610 PolarHBondContact O-N 2.93Å; N610-I612 VanDerWaalsContact C-N 3.26Å; N610-I612 PolarHBondContact O-N 3.06Å; N610-T613 PolarHBondContact O-N 3.29Å; N610-T614 VanDerWaalsContact O-CB 3.31Å; N610-T614 WeakPolarHBondContact O-CB 3.28Å; N610-T614 PolarHBondContact O-N 3.17Å; N610-T614 VanDerWaalsContact O-N 3.08Å; N610-T614 PolarHBondContact O-OG1 3.39Å
611A90.6Very high86.8Confident0 Ų038.7 Ų38.70%020%0.199CC..Hα-helixtrans-59.4-35.4179.500000113.5R607 L608 A621 L625 R722R607-A611 WeakPolarHBondContact O-CB 3.5Å; R607-A611 PolarHBondContact O-N 3.46Å; L608-A611 PolarHBondContact O-N 3.27Å; A611-A621 WeakPolarHBondContact CB-O 3.37Å; A611-L625 HydrophobicContact CB-CB 4.16Å; A611-R722 PolarHBondContact O-NH1 2.8Å; A611-R722 VanDerWaalsContact O-NH1 3.14Å
612I91.9Very high87.5Confident0 Ų033.3 Ų33.30%018%0.179CC..Hα-helixtrans-83.1-40.3-177.9-74.1167.2000112.2F506 L514 L608 L609 N610 L625 P719 R722 V723F506-I612 HydrophobicContact CD2-CG2 4.29Å; F506-I612 HydrophobicContact CE2-CG2 3.71Å; F506-I612 HydrophobicContact CZ-CG2 4.42Å; L514-I612 HydrophobicContact CD1-CD1 3.29Å; L514-I612 HydrophobicContact CD2-CD1 4.1Å; L514-I612 HydrophobicContact CG-CD1 4.29Å; L608-I612 HydrophobicContact CD1-CD1 4.25Å; L608-I612 HydrophobicContact CG-CD1 3.94Å; L608-I612 WeakPolarHBondContact O-CB 3.43Å; L608-I612 WeakPolarHBondContact O-CG1 3.46Å; L608-I612 PolarHBondContact O-N 3.38Å; L609-I612 PolarHBondContact O-N 3.3Å; N610-I612 VanDerWaalsContact C-N 3.26Å; N610-I612 PolarHBondContact O-N 3.06Å; I612-L625 HydrophobicContact CG1-CD1 4.29Å; I612-P719 HydrophobicContact CG2-CB 3.83Å; I612-R722 HydrophobicContact CG1-CB 4.34Å; I612-R722 PolarHBondContact O-NH1 3.46Å; I612-V723 HydrophobicContact CD1-CG2 3.93Å; I612-V723 HydrophobicContact CG2-CG2 3.91Å
613T90.1Very high88Confident17 Ų1732.6 Ų32.610%0.10418%0.176CC..Hα-helixtrans-89.7-17.7-17157.70000114.4P503 F506 L609 N610 N615P503-T613 HydrophobicContact CG-CG2 4.01Å; F506-T613 HydrophobicContact CB-CG2 3.8Å; F506-T613 HydrophobicContact CD1-CG2 4.11Å; F506-T613 HydrophobicContact CD2-CG2 3.85Å; F506-T613 HydrophobicContact CE2-CG2 4.42Å; F506-T613 HydrophobicContact CG-CG2 3.66Å; L609-T613 HydrophobicContact CD1-CG2 3.77Å; L609-T613 HydrophobicContact CG-CG2 4.39Å; L609-T613 WeakPolarHBondContact O-CB 3.45Å; L609-T613 WeakPolarHBondContact O-CG2 3.31Å; L609-T613 PolarHBondContact O-N 3.48Å; L609-T613 PolarHBondContact O-OG1 3.21Å; N610-T613 PolarHBondContact O-N 3.29Å; T613-N615 PolarHBondContact O-N 3.03Å
614T87.6Confident88.3Confident53 Ų5332.7 Ų32.733%0.32518%0.177SC..  trans-71.6121.3178.5-55.10000110.4N610 R722N610-T614 VanDerWaalsContact O-CB 3.31Å; N610-T614 WeakPolarHBondContact O-CB 3.28Å; N610-T614 PolarHBondContact O-N 3.17Å; N610-T614 VanDerWaalsContact O-N 3.08Å; N610-T614 PolarHBondContact O-OG1 3.39Å; T614-R722 PolarHBondContact O-NH1 2.83Å; T614-R722 PolarHBondContact O-NH2 3.01Å
615N83Confident88.6Confident109 Ų10931.9 Ų31.958%0.58317%0.168SC*.SBendtrans-64.9-44.4179.6-71.2-21.6000112.2T613 P617T613-N615 PolarHBondContact O-N 3.03Å; N615-P617 VanDerWaalsContact C-CD 3.47Å; N615-P617 WeakPolarHBondContact O-CD 3.36Å
616N83.4Confident88.8Confident151 Ų15131.4 Ų31.481%0.80717%0.166SC*.SBendtrans-113.276.3176.5-67-19.7000109.4S618N616-S618 PolarHBondContact O-N 2.91Å
617P86.2Confident89.1Confident4 Ų424.7 Ų24.73%0.02614%0.136CC..  trans-63.6139.4-174.926.8-34.1000110.9N615 A621 H715 A1031N615-P617 VanDerWaalsContact C-CD 3.47Å; N615-P617 WeakPolarHBondContact O-CD 3.36Å; P617-A621 HydrophobicContact CB-CB 3.73Å; P617-H715 HydrophobicContact CG-CB 3.69Å; P617-A1031 HydrophobicContact CG-CB 4.14Å; P617-A1031 VanDerWaalsContact O-CB 3.29Å; P617-A1031 WeakPolarHBondContact O-CB 3.29Å; P617-A1031 PolarHBondContact O-N 3.47Å; P617-A1031 VanDerWaalsContact O-N 3.07Å
618S87.8Confident89.3Confident29 Ų2923.8 Ų23.820%0.20313%0.134CC..BIsolated β-bridgetrans-63167164.972.60000110.5N616 G620 A621 Y622 L1029N616-S618 PolarHBondContact O-N 2.91Å; S618-G620 PolarHBondContact O-N 3.23Å; S618-G620 PolarHBondContact OG-N 3.21Å; S618-A621 PolarHBondContact O-N 3.04Å; S618-A621 PolarHBondContact OG-N 2.85Å; S618-A621 VanDerWaalsContact OG-N 3.17Å; S618-Y622 PolarHBondContact O-N 2.9Å; S618-L1029 CarbonylContact C-O 3.53Å
619A86.1Confident89.5Confident8 Ų823.9 Ų23.97%0.06613%0.134CC..Hα-helixtrans-53.9-41.6171.700000111.9Y622 R623 L1029 A1034A619-Y622 PolarHBondContact O-N 2.91Å; A619-R623 WeakPolarHBondContact O-CB 3.41Å; A619-R623 WeakPolarHBondContact O-CD 3.1Å; A619-R623 WeakPolarHBondContact O-CG 3.41Å; A619-R623 PolarHBondContact O-N 2.86Å; A619-L1029 HydrophobicContact CB-CB 4.39Å; A619-L1029 WeakPolarHBondContact CB-O 3.42Å; A619-L1029 PolarHBondContact N-O 3.36Å; A619-A1034 HydrophobicContact CB-CB 3.66Å
620G84.5Confident89.5Confident7 Ų722.5 Ų22.57%0.07213%0.127CC..Hα-helixtrans-64.9-42.6176.700000113.2S618 R623 S624S618-G620 PolarHBondContact O-N 3.23Å; S618-G620 PolarHBondContact OG-N 3.21Å; G620-R623 PolarHBondContact O-N 2.98Å; G620-S624 WeakPolarHBondContact O-CB 3.29Å; G620-S624 PolarHBondContact O-N 2.93Å; G620-S624 PolarHBondContact O-OG 3.25Å
621A88Confident89.6Confident3 Ų320.4 Ų20.43%0.02512%0.116CC..Hα-helixtrans-63.1-45.3174.600000111.4A611 P617 S618 R623 S624 L625A611-A621 WeakPolarHBondContact CB-O 3.37Å; P617-A621 HydrophobicContact CB-CB 3.73Å; S618-A621 PolarHBondContact O-N 3.04Å; S618-A621 PolarHBondContact OG-N 2.85Å; S618-A621 VanDerWaalsContact OG-N 3.17Å; A621-R623 PolarHBondContact O-N 3.16Å; A621-S624 WeakPolarHBondContact O-CB 3.32Å; A621-S624 PolarHBondContact O-N 3.33Å; A621-L625 PolarHBondContact O-N 3.32Å
622Y92.1Very high89.7Confident2 Ų220.4 Ų20.41%0.00812%0.116CC..Hα-helixtrans-60.7-45.6175.3169.4-111.9000112.5S618 A619 S624 L625 A626 P659 Y660 L714 H715 A1031 L1035S618-Y622 PolarHBondContact O-N 2.9Å; A619-Y622 PolarHBondContact O-N 2.91Å; Y622-S624 VanDerWaalsContact C-N 3.26Å; Y622-S624 PolarHBondContact O-N 2.84Å; Y622-L625 WeakPolarHBondContact O-CA 3.22Å; Y622-L625 WeakPolarHBondContact O-CB 3Å; Y622-L625 PolarHBondContact O-N 3.24Å; Y622-A626 HydrophobicContact CD1-CB 4.49Å; Y622-A626 HydrophobicContact CD2-CB 4.26Å; Y622-A626 HydrophobicContact CE1-CB 4.03Å; Y622-A626 HydrophobicContact CE2-CB 3.79Å; Y622-A626 WeakPolarHBondContact O-CB 3.36Å; Y622-A626 PolarHBondContact O-N 3.43Å; Y622-P659 PolarHBondContact OH-O 3.1Å; Y622-Y660 HydrophobicContact CE1-CD1 4.27Å; Y622-Y660 HydrophobicContact CE1-CE1 4.46Å; Y622-L714 HydrophobicContact CE2-CB 4.44Å; Y622-H715 HydrophobicContact CD2-CB 3.66Å; Y622-H715 HydrophobicContact CE2-CB 4.24Å; Y622-H715 HydrophobicContact CG-CB 4.35Å; Y622-A1031 HydrophobicContact CG-CB 4.07Å; Y622-L1035 HydrophobicContact CE1-CD1 4.31Å; Y622-L1035 HydrophobicContact CE1-CD2 4.2Å; Y622-L1035 HydrophobicContact CE1-CG 4.01Å
623R90.6Very high89.7Confident28 Ų2820.4 Ų20.411%0.10612%0.116CC..Hα-helixtrans-63.4-33.2177.7-70.9163.7-174.9168.7-10.1112.2E579 A619 G620 A621 L625 A626 R627E579-R623 IonicContact OE1-CZ 3.82Å; E579-R623 IonicContact OE1-NH1 3.47Å; E579-R623 PolarHBondContact OE1-NH1 3.24Å; E579-R623 IonicContact OE1-NH2 2.8Å; E579-R623 IonicContact OE2-CZ 3.82Å; E579-R623 IonicContact OE2-NH1 3.6Å; E579-R623 PolarHBondContact OE2-NH1 3.17Å; E579-R623 IonicContact OE2-NH2 2.98Å; E579-R623 PolarHBondContact OE2-NH2 3.47Å; A619-R623 WeakPolarHBondContact O-CB 3.41Å; A619-R623 WeakPolarHBondContact O-CD 3.1Å; A619-R623 WeakPolarHBondContact O-CG 3.41Å; A619-R623 PolarHBondContact O-N 2.86Å; G620-R623 PolarHBondContact O-N 2.98Å; A621-R623 PolarHBondContact O-N 3.16Å; R623-L625 PolarHBondContact O-N 3.32Å; R623-A626 PolarHBondContact O-N 3.33Å; R623-R627 HydrophobicContact CB-CG 4.46Å; R623-R627 VanDerWaalsContact O-CB 3.23Å; R623-R627 WeakPolarHBondContact O-CB 3.5Å; R623-R627 WeakPolarHBondContact O-CG 3.18Å; R623-R627 PolarHBondContact O-N 3.49Å
624S90.7Very high89.7Confident6 Ų620.6 Ų20.64%0.04211%0.114CC..Hα-helixtrans-64.7-18.9174.1-60.90000113.1L603 L608 G620 A621 Y622 P628L603-S624 WeakPolarHBondContact CD1-O 3.49Å; L608-S624 WeakPolarHBondContact CD1-O 3.31Å; G620-S624 WeakPolarHBondContact O-CB 3.29Å; G620-S624 PolarHBondContact O-N 2.93Å; G620-S624 PolarHBondContact O-OG 3.25Å; A621-S624 WeakPolarHBondContact O-CB 3.32Å; A621-S624 PolarHBondContact O-N 3.33Å; Y622-S624 VanDerWaalsContact C-N 3.26Å; Y622-S624 PolarHBondContact O-N 2.84Å; S624-P628 WeakPolarHBondContact O-CD 3.49Å; S624-P628 WeakPolarHBondContact O-CG 3.46Å
625L92.5Very high89.7Confident2 Ų218.6 Ų18.61%0.0110%0.102CC..Hα-helixtrans-96.4-45.6171.6174.462000112.5A611 I612 A621 Y622 R623 P628 L629 L714 R722 L726A611-L625 HydrophobicContact CB-CB 4.16Å; I612-L625 HydrophobicContact CG1-CD1 4.29Å; A621-L625 PolarHBondContact O-N 3.32Å; Y622-L625 WeakPolarHBondContact O-CA 3.22Å; Y622-L625 WeakPolarHBondContact O-CB 3Å; Y622-L625 PolarHBondContact O-N 3.24Å; R623-L625 PolarHBondContact O-N 3.32Å; L625-P628 WeakPolarHBondContact O-CD 3.46Å; L625-L629 PolarHBondContact O-N 2.92Å; L625-L714 HydrophobicContact CD2-CD1 4.38Å; L625-L714 HydrophobicContact CD2-CD2 3.83Å; L625-L714 HydrophobicContact CD2-CG 3.77Å; L625-L714 HydrophobicContact CG-CD2 3.88Å; L625-L714 HydrophobicContact CG-CG 4.39Å; L625-R722 HydrophobicContact CD2-CB 3.98Å; L625-R722 HydrophobicContact CD2-CG 3.94Å; L625-L726 HydrophobicContact CD1-CD1 3.65Å; L625-L726 HydrophobicContact CD1-CD2 4.34Å; L625-L726 HydrophobicContact CD1-CG 3.9Å
626A93.4Very high90.1Very high0 Ų013.4 Ų13.40%07%0.074CC..Hα-helixtrans-80.6-31.2-171.600000114.2Y622 R623 L629 S630 P659Y622-A626 HydrophobicContact CD1-CB 4.49Å; Y622-A626 HydrophobicContact CD2-CB 4.26Å; Y622-A626 HydrophobicContact CE1-CB 4.03Å; Y622-A626 HydrophobicContact CE2-CB 3.79Å; Y622-A626 WeakPolarHBondContact O-CB 3.36Å; Y622-A626 PolarHBondContact O-N 3.43Å; R623-A626 PolarHBondContact O-N 3.33Å; A626-L629 PolarHBondContact O-N 2.89Å; A626-S630 WeakPolarHBondContact O-CB 3.4Å; A626-S630 PolarHBondContact O-N 3.48Å; A626-P659 HydrophobicContact CB-CB 3.79Å
627R92.2Very high90.4Very high3 Ų36.7 Ų6.71%0.0114%0.038CC..Hα-helixtrans-63-50.3174.1-75.5178.2175.8146.86.2111.7D572 E582 I595 S599 R623 L629 S630 V631 P659D572-R627 IonicContact OD2-CZ 3.76Å; D572-R627 IonicContact OD2-NH1 3.82Å; D572-R627 PolarHBondContact OD2-NH1 3.24Å; E582-R627 WeakPolarHBondContact OE1-CG 3.37Å; E582-R627 IonicContact OE1-NE 2.83Å; E582-R627 PolarHBondContact OE1-NE 2.9Å; E582-R627 VanDerWaalsContact OE1-NE 3.16Å; E582-R627 IonicContact OE2-CZ 2.71Å; E582-R627 IonicContact OE2-NE 2.7Å; E582-R627 PolarHBondContact OE2-NE 2.9Å; E582-R627 IonicContact OE2-NH2 3.42Å; E582-R627 PolarHBondContact OE2-NH2 3.33Å; I595-R627 VanDerWaalsContact CD1-NH2 3.32Å; S599-R627 WeakPolarHBondContact OG-CD 3.4Å; S599-R627 PolarHBondContact OG-NH1 3.32Å; R623-R627 HydrophobicContact CB-CG 4.46Å; R623-R627 VanDerWaalsContact O-CB 3.23Å; R623-R627 WeakPolarHBondContact O-CB 3.5Å; R623-R627 WeakPolarHBondContact O-CG 3.18Å; R623-R627 PolarHBondContact O-N 3.49Å; R627-L629 VanDerWaalsContact C-N 3.28Å; R627-L629 PolarHBondContact O-N 2.62Å; R627-S630 PolarHBondContact O-N 2.64Å; R627-S630 VanDerWaalsContact O-N 3.11Å; R627-S630 PolarHBondContact O-OG 3.43Å; R627-V631 WeakPolarHBondContact O-CG2 2.96Å; R627-V631 PolarHBondContact O-N 2.84Å; R627-P659 HydrophobicContact CG-CB 4.41Å; R627-P659 HydrophobicContact CG-CG 3.59Å
628P93.1Very high90.2Very high3 Ų314.8 Ų14.82%0.0197%0.068CC..Hα-helixtrans-54.1-45.7173.8-2533.4000112.2F521 L600 L603 S624 L625 S630 V631 L632 L726F521-P628 HydrophobicContact CD1-CB 4.25Å; F521-P628 HydrophobicContact CE1-CB 3.54Å; F521-P628 HydrophobicContact CE2-CB 3.98Å; F521-P628 HydrophobicContact CZ-CB 3.38Å; L600-P628 HydrophobicContact CD2-CB 4.32Å; L600-P628 HydrophobicContact CD2-CG 4.4Å; L603-P628 HydrophobicContact CD1-CG 3.94Å; L603-P628 HydrophobicContact CD2-CB 4.12Å; L603-P628 HydrophobicContact CD2-CG 3.57Å; L603-P628 HydrophobicContact CG-CG 4.39Å; S624-P628 WeakPolarHBondContact O-CD 3.49Å; S624-P628 WeakPolarHBondContact O-CG 3.46Å; L625-P628 WeakPolarHBondContact O-CD 3.46Å; P628-S630 PolarHBondContact O-N 2.76Å; P628-V631 PolarHBondContact O-N 2.91Å; P628-L632 WeakPolarHBondContact O-CG 3.32Å; P628-L632 PolarHBondContact O-N 2.76Å; P628-L632 VanDerWaalsContact O-N 3.09Å; P628-L726 HydrophobicContact CB-CD2 4.48Å
629L94.5Very high90.2Very high1 Ų115.7 Ų15.71%0.0057%0.071CC..Hα-helixtrans-58.4-44176-179.359.8000112.7L625 A626 R627 V631 L632 L633 A662 P663 L666 L714 L726 A729L625-L629 PolarHBondContact O-N 2.92Å; A626-L629 PolarHBondContact O-N 2.89Å; R627-L629 VanDerWaalsContact C-N 3.28Å; R627-L629 PolarHBondContact O-N 2.62Å; L629-V631 VanDerWaalsContact C-N 3.3Å; L629-V631 PolarHBondContact O-N 2.7Å; L629-L632 PolarHBondContact O-N 2.93Å; L629-L633 HydrophobicContact CD1-CD1 4.16Å; L629-L633 HydrophobicContact CD1-CG 4.29Å; L629-L633 HydrophobicContact CG-CD1 4.09Å; L629-L633 WeakPolarHBondContact O-CG 3.35Å; L629-L633 PolarHBondContact O-N 3.16Å; L629-A662 HydrophobicContact CD2-CB 4.43Å; L629-A662 HydrophobicContact CG-CB 4.22Å; L629-P663 HydrophobicContact CD2-CB 4.5Å; L629-P663 HydrophobicContact CD2-CG 4.19Å; L629-L666 HydrophobicContact CD1-CD2 4.08Å; L629-L666 HydrophobicContact CD2-CD2 4.46Å; L629-L714 HydrophobicContact CD2-CD2 3.95Å; L629-L726 HydrophobicContact CB-CD2 3.93Å; L629-L726 HydrophobicContact CD1-CD2 4.49Å; L629-A729 HydrophobicContact CD1-CB 3.52Å
630S92.4Very high90Very high0 Ų021 Ų210%09%0.094CC..Hα-helixtrans-62-37.2178.4770000112.5A626 R627 P628 L633 R634 V657A626-S630 WeakPolarHBondContact O-CB 3.4Å; A626-S630 PolarHBondContact O-N 3.48Å; R627-S630 PolarHBondContact O-N 2.64Å; R627-S630 VanDerWaalsContact O-N 3.11Å; R627-S630 PolarHBondContact O-OG 3.43Å; P628-S630 PolarHBondContact O-N 2.76Å; S630-L633 PolarHBondContact O-N 2.91Å; S630-R634 WeakPolarHBondContact O-CG 3.34Å; S630-R634 PolarHBondContact O-N 2.72Å; S630-V657 VanDerWaalsContact O-CG1 3.23Å; S630-V657 WeakPolarHBondContact O-CG1 3.33Å
631V91Very high89.9Confident2 Ų226.8 Ų26.81%0.01212%0.119CC..Hα-helixtrans-70.2-41.3178.9178.70000110.8L528 L592 C596 L600 R627 P628 L629 R634L528-V631 HydrophobicContact CB-CG1 3.92Å; L528-V631 HydrophobicContact CD2-CG1 4.41Å; L528-V631 VanDerWaalsContact O-CG1 3.31Å; L528-V631 WeakPolarHBondContact O-CG1 3.09Å; L592-V631 HydrophobicContact CD1-CG1 4.48Å; L592-V631 HydrophobicContact CD1-CG2 4.07Å; L592-V631 HydrophobicContact CD2-CG2 4.04Å; C596-V631 HydrophobicContact CB-CG2 4.49Å; L600-V631 HydrophobicContact CD1-CB 4.11Å; L600-V631 HydrophobicContact CD1-CG1 3.87Å; L600-V631 HydrophobicContact CD1-CG2 3.76Å; L600-V631 HydrophobicContact CG-CG2 4.43Å; R627-V631 WeakPolarHBondContact O-CG2 2.96Å; R627-V631 PolarHBondContact O-N 2.84Å; P628-V631 PolarHBondContact O-N 2.91Å; L629-V631 VanDerWaalsContact C-N 3.3Å; L629-V631 PolarHBondContact O-N 2.7Å; V631-R634 PolarHBondContact O-N 2.7Å
632L92.8Very high89.8Confident0 Ų028 Ų280%013%0.125CC..Hα-helixtrans-59.6-48.7174.6-62.1173.5000110.8F520 F521 L528 P628 L629 R634 L635 V636 L726 A729 V730 I733F520-L632 HydrophobicContact CE1-CD2 3.75Å; F520-L632 HydrophobicContact CZ-CD2 4.48Å; F521-L632 HydrophobicContact CE1-CD1 3.92Å; F521-L632 HydrophobicContact CE1-CD2 3.83Å; F521-L632 HydrophobicContact CE1-CG 3.88Å; F521-L632 HydrophobicContact CZ-CD1 3.69Å; F521-L632 HydrophobicContact CZ-CD2 4.38Å; F521-L632 HydrophobicContact CZ-CG 4.18Å; L528-L632 HydrophobicContact CD2-CD2 3.88Å; P628-L632 WeakPolarHBondContact O-CG 3.32Å; P628-L632 PolarHBondContact O-N 2.76Å; P628-L632 VanDerWaalsContact O-N 3.09Å; L629-L632 PolarHBondContact O-N 2.93Å; L632-R634 VanDerWaalsContact C-N 3.31Å; L632-R634 PolarHBondContact O-N 2.93Å; L632-L635 WeakPolarHBondContact O-CB 3.06Å; L632-L635 PolarHBondContact O-N 3.02Å; L632-V636 WeakPolarHBondContact O-CG2 3.29Å; L632-V636 PolarHBondContact O-N 3.25Å; L632-L726 HydrophobicContact CD1-CD2 4.48Å; L632-A729 HydrophobicContact CB-CB 3.92Å; L632-A729 HydrophobicContact CD1-CB 3.65Å; L632-A729 HydrophobicContact CG-CB 4.45Å; L632-V730 HydrophobicContact CD1-CG2 3.71Å; L632-V730 HydrophobicContact CD2-CG2 4.18Å; L632-I733 HydrophobicContact CB-CD1 3.89Å; L632-I733 HydrophobicContact CD2-CD1 3.32Å; L632-I733 HydrophobicContact CG-CD1 4.18Å
633L92.2Very high89.5Confident1 Ų128 Ų281%0.00513%0.126CC..Hα-helixtrans-65.8-29.8-178.5-74.8172.1000113.8L629 S630 L635 V636 L637 V657 A662 L665 L666L629-L633 HydrophobicContact CD1-CD1 4.16Å; L629-L633 HydrophobicContact CD1-CG 4.29Å; L629-L633 HydrophobicContact CG-CD1 4.09Å; L629-L633 WeakPolarHBondContact O-CG 3.35Å; L629-L633 PolarHBondContact O-N 3.16Å; S630-L633 PolarHBondContact O-N 2.91Å; L633-L635 PolarHBondContact O-N 2.93Å; L633-V636 PolarHBondContact O-N 3.29Å; L633-L637 VanDerWaalsContact O-CB 3.32Å; L633-L637 WeakPolarHBondContact O-CB 3.47Å; L633-L637 VanDerWaalsContact O-CG 3.29Å; L633-L637 WeakPolarHBondContact O-CG 3.38Å; L633-L637 PolarHBondContact O-N 2.77Å; L633-V657 HydrophobicContact CB-CG1 3.76Å; L633-A662 HydrophobicContact CD1-CB 3.83Å; L633-A662 WeakPolarHBondContact CD1-O 3.42Å; L633-L665 HydrophobicContact CD1-CB 4.16Å; L633-L666 HydrophobicContact CD1-CB 4.03Å; L633-L666 HydrophobicContact CD2-CB 4.28Å; L633-L666 HydrophobicContact CD2-CD1 4.22Å
634R89Confident89.3Confident20 Ų2029.1 Ų29.18%0.07513%0.132CC..Hα-helixtrans-60.9-33.6172-76.7-179.9-159.4-132.38.2112.3S630 V631 L632 R638 V657S630-R634 WeakPolarHBondContact O-CG 3.34Å; S630-R634 PolarHBondContact O-N 2.72Å; V631-R634 PolarHBondContact O-N 2.7Å; L632-R634 VanDerWaalsContact C-N 3.31Å; L632-R634 PolarHBondContact O-N 2.93Å; R634-R638 WeakPolarHBondContact O-CG 3.47Å; R634-V657 HydrophobicContact CG-CB 3.54Å; R634-V657 HydrophobicContact CG-CG1 3.92Å; R634-V657 HydrophobicContact CG-CG2 3.87Å; R634-V657 PolarHBondContact NE-O 3.35Å; R634-V657 VanDerWaalsContact NE-O 3.08Å; R634-V657 PolarHBondContact NH2-O 3.23Å
635L88.7Confident89.1Confident11 Ų1131.6 Ų31.66%0.05814%0.142CC..Hα-helixtrans-78.5-43.7175.5-66.4170.8000110.9L528 L632 L633 L637 R638 I733 L738L528-L635 HydrophobicContact CD2-CD1 3.56Å; L632-L635 WeakPolarHBondContact O-CB 3.06Å; L632-L635 PolarHBondContact O-N 3.02Å; L633-L635 PolarHBondContact O-N 2.93Å; L635-L637 VanDerWaalsContact C-N 3.33Å; L635-L637 PolarHBondContact O-N 3.16Å; L635-R638 WeakPolarHBondContact O-CB 3.46Å; L635-R638 PolarHBondContact O-N 2.94Å; L635-R638 VanDerWaalsContact O-N 3.16Å; L635-I733 HydrophobicContact CB-CD1 4.41Å; L635-I733 HydrophobicContact CD1-CD1 4.28Å; L635-L738 HydrophobicContact CB-CD1 4.09Å
636V90.4Very high88.9Confident0 Ų037.3 Ų37.30%016%0.163CC..Hα-helixtrans-59.5-41.9178.1176.40000111.9L632 L633 R638 D639 I642 T669 K732 I733L632-V636 WeakPolarHBondContact O-CG2 3.29Å; L632-V636 PolarHBondContact O-N 3.25Å; L633-V636 PolarHBondContact O-N 3.29Å; V636-R638 VanDerWaalsContact C-N 3.26Å; V636-R638 PolarHBondContact O-N 3.44Å; V636-D639 VanDerWaalsContact O-CB 3.29Å; V636-D639 WeakPolarHBondContact O-CB 3.29Å; V636-D639 PolarHBondContact O-N 3.14Å; V636-I642 HydrophobicContact CG1-CD1 3.67Å; V636-I642 HydrophobicContact CG1-CG2 4.37Å; V636-T669 HydrophobicContact CG1-CG2 4.22Å; V636-K732 HydrophobicContact CG1-CB 4.05Å; V636-K732 HydrophobicContact CG2-CB 3.78Å; V636-I733 HydrophobicContact CG2-CG1 3.68Å
637L89.5Confident88.7Confident10 Ų1038.8 Ų38.85%0.05217%0.17CC..THydrogen-bonded Turntrans-77.4-5.3-179-66.9176.3000114.5L633 L635 D639 I642 L652 V657 L665L633-L637 VanDerWaalsContact O-CB 3.32Å; L633-L637 WeakPolarHBondContact O-CB 3.47Å; L633-L637 VanDerWaalsContact O-CG 3.29Å; L633-L637 WeakPolarHBondContact O-CG 3.38Å; L633-L637 PolarHBondContact O-N 2.77Å; L635-L637 VanDerWaalsContact C-N 3.33Å; L635-L637 PolarHBondContact O-N 3.16Å; L637-D639 VanDerWaalsContact C-N 3.26Å; L637-I642 HydrophobicContact CD2-CG2 3.89Å; L637-L652 HydrophobicContact CD2-CB 3.96Å; L637-L652 HydrophobicContact CD2-CD1 4.33Å; L637-V657 HydrophobicContact CD1-CG2 3.74Å; L637-L665 HydrophobicContact CD1-CD1 4.13Å; L637-L665 HydrophobicContact CD1-CD2 4.37Å
638R83.6Confident88.7Confident174 Ų17439.8 Ų39.866%0.65718%0.175SC*.THydrogen-bonded Turntrans-75.2-20.4168.2-74.3171.3-175.3-174.81.5112R634 L635 V636 E640R634-R638 WeakPolarHBondContact O-CG 3.47Å; L635-R638 WeakPolarHBondContact O-CB 3.46Å; L635-R638 PolarHBondContact O-N 2.94Å; L635-R638 VanDerWaalsContact O-N 3.16Å; V636-R638 VanDerWaalsContact C-N 3.26Å; V636-R638 PolarHBondContact O-N 3.44Å; R638-E640 PolarHBondContact O-N 2.85Å
639D85.9Confident88.3Confident48 Ų4840.4 Ų40.426%0.25718%0.182SC..SBendtrans-59.6135.7172.7179.267.5000110.4V636 L637 Q641 I642 G643 L736V636-D639 VanDerWaalsContact O-CB 3.29Å; V636-D639 WeakPolarHBondContact O-CB 3.29Å; V636-D639 PolarHBondContact O-N 3.14Å; L637-D639 VanDerWaalsContact C-N 3.26Å; D639-Q641 PolarHBondContact O-N 3.46Å; D639-Q641 WeakPolarHBondContact OD2-CA 3.48Å; D639-Q641 VanDerWaalsContact OD2-CB 3.3Å; D639-Q641 WeakPolarHBondContact OD2-CB 3.26Å; D639-Q641 PolarHBondContact OD2-N 3.28Å; D639-I642 HydrophobicContact CB-CB 4.28Å; D639-I642 HydrophobicContact CB-CD1 4.26Å; D639-I642 HydrophobicContact CB-CG1 4.33Å; D639-I642 PolarHBondContact OD2-N 2.92Å; D639-G643 WeakPolarHBondContact O-CA 3.24Å; D639-G643 PolarHBondContact O-N 3.34Å; D639-L736 HydrophobicContact CB-CD2 3.71Å
640E82.5Confident88.1Confident119 Ų11940.6 Ų40.656%0.55618%0.183SC*.Hα-helixtrans-69.3-35.9-173.7-172.1174.4-174.900111.8R638 K644R638-E640 PolarHBondContact O-N 2.85Å; E640-K644 VanDerWaalsContact CD-NZ 3.31Å; E640-K644 HydrophobicContact CG-CD 4.02Å; E640-K644 VanDerWaalsContact O-CB 3.23Å; E640-K644 WeakPolarHBondContact O-CB 3.37Å; E640-K644 WeakPolarHBondContact O-CD 3.36Å; E640-K644 WeakPolarHBondContact O-CG 3.37Å; E640-K644 PolarHBondContact O-N 2.83Å; E640-K644 VanDerWaalsContact O-N 3.13Å; E640-K644 WeakPolarHBondContact OE1-CE 3.45Å; E640-K644 IonicContact OE1-NZ 2.67Å; E640-K644 PolarHBondContact OE1-NZ 3.42Å
641Q83.8Confident88Confident130 Ų13043 Ų4361%0.60719%0.194SC*.Hα-helixtrans-73.3-45-178.7-62.2-64.1-16.300111.4D639D639-Q641 PolarHBondContact O-N 3.46Å; D639-Q641 WeakPolarHBondContact OD2-CA 3.48Å; D639-Q641 VanDerWaalsContact OD2-CB 3.3Å; D639-Q641 WeakPolarHBondContact OD2-CB 3.26Å; D639-Q641 PolarHBondContact OD2-N 3.28Å
642I85.5Confident88Confident27 Ų2742.9 Ų42.914%0.13819%0.193CC..Hα-helixtrans-71.8-44.7178.3-57.5174.2000110.1V636 L637 D639 K644 K645 T669V636-I642 HydrophobicContact CG1-CD1 3.67Å; V636-I642 HydrophobicContact CG1-CG2 4.37Å; L637-I642 HydrophobicContact CD2-CG2 3.89Å; D639-I642 HydrophobicContact CB-CB 4.28Å; D639-I642 HydrophobicContact CB-CD1 4.26Å; D639-I642 HydrophobicContact CB-CG1 4.33Å; D639-I642 PolarHBondContact OD2-N 2.92Å; I642-K644 VanDerWaalsContact C-N 3.29Å; I642-K644 PolarHBondContact O-N 3.44Å; I642-K645 WeakPolarHBondContact O-CB 3.19Å; I642-K645 VanDerWaalsContact O-CG 3.31Å; I642-K645 WeakPolarHBondContact O-CG 3.4Å; I642-K645 PolarHBondContact O-N 2.75Å; I642-T669 HydrophobicContact CG2-CG2 3.71Å
643G86Confident87.8Confident3 Ų345 Ų453%0.03121%0.207CC..Hα-helixtrans-64.6-28.3-179.100000114.1D639 K645 K651 L652 S653D639-G643 WeakPolarHBondContact O-CA 3.24Å; D639-G643 PolarHBondContact O-N 3.34Å; G643-K645 VanDerWaalsContact C-N 3.34Å; G643-K651 WeakPolarHBondContact O-CB 3.46Å; G643-L652 PolarHBondContact O-N 3.15Å; G643-S653 PolarHBondContact O-N 2.92Å; G643-S653 PolarHBondContact O-OG 3.47Å
644K85.9Confident87.5Confident52 Ų5250.5 Ų50.523%0.22623%0.232CC..THydrogen-bonded Turntrans-74.8-17175.9-81.9174-175.9170.10114.3E640 I642 D1167E640-K644 VanDerWaalsContact CD-NZ 3.31Å; E640-K644 HydrophobicContact CG-CD 4.02Å; E640-K644 VanDerWaalsContact O-CB 3.23Å; E640-K644 WeakPolarHBondContact O-CB 3.37Å; E640-K644 WeakPolarHBondContact O-CD 3.36Å; E640-K644 WeakPolarHBondContact O-CG 3.37Å; E640-K644 PolarHBondContact O-N 2.83Å; E640-K644 VanDerWaalsContact O-N 3.13Å; E640-K644 WeakPolarHBondContact OE1-CE 3.45Å; E640-K644 IonicContact OE1-NZ 2.67Å; E640-K644 PolarHBondContact OE1-NZ 3.42Å; I642-K644 VanDerWaalsContact C-N 3.29Å; I642-K644 PolarHBondContact O-N 3.44Å; K644-D1167 WeakPolarHBondContact CE-OD2 3.33Å; K644-D1167 IonicContact NZ-OD2 3.56Å; K644-D1167 PolarHBondContact NZ-OD2 3.13Å
645K86.8Confident87.5Confident58 Ų5849.6 Ų49.625%0.25223%0.228SC..  trans-58.4153.7175-59.1-61.8-179.9179.60110.1I642 G643 K651 L652 N672I642-K645 WeakPolarHBondContact O-CB 3.19Å; I642-K645 VanDerWaalsContact O-CG 3.31Å; I642-K645 WeakPolarHBondContact O-CG 3.4Å; I642-K645 PolarHBondContact O-N 2.75Å; G643-K645 VanDerWaalsContact C-N 3.34Å; K645-K651 CarbonylContact O-C 3.48Å; K645-K651 VanDerWaalsContact O-CA 3.27Å; K645-K651 WeakPolarHBondContact O-CA 3.49Å; K645-L652 HydrophobicContact CB-CD1 3.85Å; K645-L652 HydrophobicContact CB-CG 4.05Å; K645-L652 PolarHBondContact O-N 3.38Å; K645-N672 HydrophobicContact CB-CB 4.41Å; K645-N672 HydrophobicContact CD-CB 3.87Å; K645-N672 HydrophobicContact CG-CB 3.82Å
646R87.3Confident87.5Confident122 Ų12249.9 Ų49.946%0.4623%0.231SC..EExtended strand (participates in β ladder)trans-126.1143.4-169.6-62.9-179.9-177.7-108.27.7113.1G649 L650 K651R646-G649 PolarHBondContact NH1-O 3.48Å; R646-L650 CarbonylContact C-O 3.53Å; R646-L650 WeakPolarHBondContact CA-O 3.48Å; R646-K651 HydrophobicContact CG-CG 4.48Å
647E90.2Very high87.5Confident30 Ų3050.2 Ų50.214%0.1423%0.233CC..EExtended strand (participates in β ladder)trans-125.2124.1169.3-178.562.5-168.900107.9G649 L650 L652 F655 L668 R1211E647-G649 PolarHBondContact O-N 2.92Å; E647-L650 PolarHBondContact N-O 2.93Å; E647-L650 WeakPolarHBondContact O-CB 3.32Å; E647-L650 PolarHBondContact O-N 3.34Å; E647-L652 HydrophobicContact CB-CD2 4.07Å; E647-F655 HydrophobicContact CB-CE2 4.03Å; E647-F655 HydrophobicContact CB-CZ 4.18Å; E647-L668 HydrophobicContact CB-CD1 4.14Å; E647-L668 HydrophobicContact CG-CD1 3.98Å; E647-L668 WeakPolarHBondContact OE2-CD2 3.47Å; E647-R1211 IonicContact OE1-CZ 3.68Å; E647-R1211 IonicContact OE1-NH1 3.87Å; E647-R1211 PolarHBondContact OE1-NH1 2.66Å; E647-R1211 IonicContact OE1-NH2 2.76Å; E647-R1211 PolarHBondContact OE1-NH2 3.28Å
648L90.6Very high87.5Confident24 Ų2450 Ų5013%0.12623%0.232CC..THydrogen-bonded Turntrans47.936.1-172.8-65.6172.2000113.3L650 W1195 W1199 E1202 L1215 C1218L648-L650 VanDerWaalsContact C-N 3.28Å; L648-L650 PolarHBondContact O-N 3.23Å; L648-W1195 PolarHBondContact O-NE1 3.47Å; L648-W1199 HydrophobicContact CD1-CB 4.15Å; L648-W1199 HydrophobicContact CD1-CG 4.27Å; L648-E1202 HydrophobicContact CD2-CG 4.08Å; L648-L1215 HydrophobicContact CD1-CD2 3.73Å; L648-C1218 HydrophobicContact CD1-CB 4.49Å
649G86.7Confident87.8Confident16 Ų1641.8 Ų41.817%0.16520%0.201CC..THydrogen-bonded Turntrans79.7-7.8-178.300000115.8R646 E647R646-G649 PolarHBondContact NH1-O 3.48Å; E647-G649 PolarHBondContact O-N 2.92Å
650L89.7Confident88.1Confident6 Ų639.8 Ų39.83%0.03119%0.19CC..EExtended strand (participates in β ladder)trans-88.8136.4177.3-65.4172.1000111.1R646 E647 L648 K654 F655 P1126 C1218 A1221R646-L650 CarbonylContact C-O 3.53Å; R646-L650 WeakPolarHBondContact CA-O 3.48Å; E647-L650 PolarHBondContact N-O 2.93Å; E647-L650 WeakPolarHBondContact O-CB 3.32Å; E647-L650 PolarHBondContact O-N 3.34Å; L648-L650 VanDerWaalsContact C-N 3.28Å; L648-L650 PolarHBondContact O-N 3.23Å; L650-K654 HydrophobicContact CD2-CD 4.49Å; L650-F655 HydrophobicContact CB-CE1 4.24Å; L650-F655 HydrophobicContact CB-CE2 4.34Å; L650-F655 HydrophobicContact CB-CZ 3.65Å; L650-F655 HydrophobicContact CD1-CE1 3.9Å; L650-F655 HydrophobicContact CD1-CZ 4.05Å; L650-P1126 HydrophobicContact CD2-CG 3.58Å; L650-P1126 HydrophobicContact CG-CG 3.91Å; L650-C1218 HydrophobicContact CD1-CB 4.18Å; L650-A1221 HydrophobicContact CD1-CB 4.12Å
651K90.7Very high88.7Confident50 Ų5034.3 Ų34.322%0.21716%0.164CC..EExtended strand (participates in β ladder)trans-63.7138176.2-70.6-176.1179.4-177.90110.4G643 K645 R646 S653 K654G643-K651 WeakPolarHBondContact O-CB 3.46Å; K645-K651 CarbonylContact O-C 3.48Å; K645-K651 VanDerWaalsContact O-CA 3.27Å; K645-K651 WeakPolarHBondContact O-CA 3.49Å; R646-K651 HydrophobicContact CG-CG 4.48Å; K651-S653 PolarHBondContact O-N 3.37Å; K651-K654 HydrophobicContact CB-CG 4.28Å; K651-K654 WeakPolarHBondContact O-CB 3.49Å; K651-K654 PolarHBondContact O-N 2.95Å
652L90.3Very high89.2Confident0 Ų028.1 Ų28.10%014%0.135CC..G310 helixtrans-58-33.2179.7-67.1-171.9000112.2L637 G643 K645 E647 K654 F655 L668L637-L652 HydrophobicContact CD2-CB 3.96Å; L637-L652 HydrophobicContact CD2-CD1 4.33Å; G643-L652 PolarHBondContact O-N 3.15Å; K645-L652 HydrophobicContact CB-CD1 3.85Å; K645-L652 HydrophobicContact CB-CG 4.05Å; K645-L652 PolarHBondContact O-N 3.38Å; E647-L652 HydrophobicContact CB-CD2 4.07Å; L652-K654 PolarHBondContact O-N 3.13Å; L652-K654 VanDerWaalsContact O-N 3.13Å; L652-F655 HydrophobicContact CD2-CD2 4.17Å; L652-F655 HydrophobicContact CD2-CE2 3.95Å; L652-F655 WeakPolarHBondContact O-CD2 3.36Å; L652-F655 PolarHBondContact O-N 2.67Å; L652-L668 HydrophobicContact CD1-CB 4.3Å; L652-L668 HydrophobicContact CD2-CB 4.27Å; L652-L668 HydrophobicContact CD2-CD1 3.99Å
653S88Confident89.7Confident43 Ų4327 Ų2730%0.30113%0.13SC..G310 helixtrans-66.5-7.917660.90000114.9S588 G643 K651S588-S653 WeakPolarHBondContact CB-O 3.21Å; S588-S653 PolarHBondContact OG-O 3.44Å; G643-S653 PolarHBondContact O-N 2.92Å; G643-S653 PolarHBondContact O-OG 3.47Å; K651-S653 PolarHBondContact O-N 3.37Å
654K85.8Confident90.1Very high118 Ų11826.9 Ų26.951%0.51313%0.129SC..G310 helixtrans-86.5-18.8174.4-69.5-172.5172.3-167.30113.3L650 K651 L652L650-K654 HydrophobicContact CD2-CD 4.49Å; K651-K654 HydrophobicContact CB-CG 4.28Å; K651-K654 WeakPolarHBondContact O-CB 3.49Å; K651-K654 PolarHBondContact O-N 2.95Å; L652-K654 PolarHBondContact O-N 3.13Å; L652-K654 VanDerWaalsContact O-N 3.13Å
655F89.7Confident90.6Very high0 Ų024.4 Ų24.40%012%0.118CC..SBendtrans-80.2140.6-175.5-60.7-63.7000111.7S588 E647 L650 L652 V657 L665 L1214 A1217 C1218S588-F655 WeakPolarHBondContact CB-O 3.33Å; E647-F655 HydrophobicContact CB-CE2 4.03Å; E647-F655 HydrophobicContact CB-CZ 4.18Å; L650-F655 HydrophobicContact CB-CE1 4.24Å; L650-F655 HydrophobicContact CB-CE2 4.34Å; L650-F655 HydrophobicContact CB-CZ 3.65Å; L650-F655 HydrophobicContact CD1-CE1 3.9Å; L650-F655 HydrophobicContact CD1-CZ 4.05Å; L652-F655 HydrophobicContact CD2-CD2 4.17Å; L652-F655 HydrophobicContact CD2-CE2 3.95Å; L652-F655 WeakPolarHBondContact O-CD2 3.36Å; L652-F655 PolarHBondContact O-N 2.67Å; F655-V657 PolarHBondContact O-N 3.31Å; F655-L665 HydrophobicContact CB-CD2 4.18Å; F655-L665 HydrophobicContact CD2-CD2 4.12Å; F655-L665 HydrophobicContact CG-CD2 4.49Å; F655-L1214 HydrophobicContact CB-CD1 4.05Å; F655-L1214 HydrophobicContact CD1-CD1 4.14Å; F655-L1214 HydrophobicContact CD2-CD1 4.28Å; F655-L1214 HydrophobicContact CG-CD1 3.89Å; F655-A1217 HydrophobicContact CD1-CB 4.28Å; F655-C1218 HydrophobicContact CE1-CB 4.2Å; F655-C1218 WeakPolarHBondContact CE1-SG 3.4Å; F655-C1218 VanDerWaalsContact CZ-SG 3.55Å
656P87.8Confident91Very high17 Ų1721.7 Ų21.711%0.1111%0.106CC..  trans-67.9130.217029.2-33.6000110.1L585 T658 T661 A1217L585-P656 HydrophobicContact CB-CB 4.42Å; L585-P656 WeakPolarHBondContact O-CB 3.49Å; L585-P656 WeakPolarHBondContact O-CG 3.45Å; P656-T658 HydrophobicContact CB-CG2 4.36Å; P656-T658 PolarHBondContact O-N 2.97Å; P656-T661 PolarHBondContact O-OG1 3.39Å; P656-A1217 HydrophobicContact CG-CB 4.16Å
657V90.3Very high91.3Very high7 Ų716.8 Ų16.84%0.0429%0.088CC..  trans-94.989.1179.9-169.60000109.3S630 L633 R634 L637 F655 A662 L665S630-V657 VanDerWaalsContact O-CG1 3.23Å; S630-V657 WeakPolarHBondContact O-CG1 3.33Å; L633-V657 HydrophobicContact CB-CG1 3.76Å; R634-V657 HydrophobicContact CG-CB 3.54Å; R634-V657 HydrophobicContact CG-CG1 3.92Å; R634-V657 HydrophobicContact CG-CG2 3.87Å; R634-V657 PolarHBondContact NE-O 3.35Å; R634-V657 VanDerWaalsContact NE-O 3.08Å; R634-V657 PolarHBondContact NH2-O 3.23Å; L637-V657 HydrophobicContact CD1-CG2 3.74Å; F655-V657 PolarHBondContact O-N 3.31Å; V657-A662 HydrophobicContact CG1-CB 4.42Å; V657-L665 HydrophobicContact CB-CD1 4.24Å; V657-L665 HydrophobicContact CG1-CD1 4.12Å; V657-L665 HydrophobicContact CG2-CD1 3.94Å
658T90.1Very high91.5Very high7 Ų715.4 Ų15.44%0.0438%0.081CC..  trans-105.5166.3178.4710000109.6E582 L585 P656 Y660 T661 A662E582-T658 WeakPolarHBondContact O-CG2 3.4Å; L585-T658 HydrophobicContact CB-CG2 4.29Å; L585-T658 HydrophobicContact CD1-CG2 4.39Å; P656-T658 HydrophobicContact CB-CG2 4.36Å; P656-T658 PolarHBondContact O-N 2.97Å; T658-Y660 PolarHBondContact O-N 3.38Å; T658-Y660 PolarHBondContact OG1-N 3.29Å; T658-T661 PolarHBondContact N-OG1 2.65Å; T658-T661 PolarHBondContact O-N 3.45Å; T658-T661 VanDerWaalsContact O-N 3.16Å; T658-T661 PolarHBondContact O-OG1 2.7Å; T658-T661 PolarHBondContact OG1-N 3.29Å; T658-T661 PolarHBondContact OG1-OG1 3.04Å; T658-A662 WeakPolarHBondContact O-CB 3.42Å; T658-A662 PolarHBondContact O-N 3.02Å
659P90.8Very high91.5Very high0 Ų014.4 Ų14.40%08%0.076CC..THydrogen-bonded Turntrans-54.2-26.3172.3-26.135.6000113.2E582 Y622 A626 R627 P663E582-P659 HydrophobicContact CG-CG 4.32Å; E582-P659 WeakPolarHBondContact OE1-CD 3.3Å; E582-P659 WeakPolarHBondContact OE1-CG 3.42Å; Y622-P659 PolarHBondContact OH-O 3.1Å; A626-P659 HydrophobicContact CB-CB 3.79Å; R627-P659 HydrophobicContact CG-CB 4.41Å; R627-P659 HydrophobicContact CG-CG 3.59Å; P659-P663 WeakPolarHBondContact O-CD 3.08Å
660Y92.2Very high91.6Very high6 Ų613.7 Ų13.72%0.0247%0.068CC..THydrogen-bonded Turntrans-87.6-20.1-176.5-42.8-66.1000113.6A583 Y622 T658 L1035 A1038 T1210A583-Y660 HydrophobicContact CB-CE2 4.31Å; Y622-Y660 HydrophobicContact CE1-CD1 4.27Å; Y622-Y660 HydrophobicContact CE1-CE1 4.46Å; T658-Y660 PolarHBondContact O-N 3.38Å; T658-Y660 PolarHBondContact OG1-N 3.29Å; Y660-L1035 HydrophobicContact CD1-CD2 3.84Å; Y660-L1035 HydrophobicContact CD1-CG 4.42Å; Y660-L1035 HydrophobicContact CG-CD2 4.44Å; Y660-A1038 HydrophobicContact CD1-CB 4Å; Y660-A1038 HydrophobicContact CD2-CB 3.76Å; Y660-A1038 HydrophobicContact CE1-CB 3.98Å; Y660-A1038 HydrophobicContact CE2-CB 3.75Å; Y660-A1038 HydrophobicContact CG-CB 3.89Å; Y660-T1210 VanDerWaalsContact O-CA 3.3Å; Y660-T1210 WeakPolarHBondContact O-CA 3.38Å; Y660-T1210 WeakPolarHBondContact O-CB 3.5Å; Y660-T1210 WeakPolarHBondContact O-CG2 3.29Å
661T94Very high91.4Very high4 Ų414 Ų143%0.0257%0.07CC..THydrogen-bonded Turntrans-104.9-23.717558.70000112.9P656 T658 E664 L665 N1213 L1214P656-T661 PolarHBondContact O-OG1 3.39Å; T658-T661 PolarHBondContact N-OG1 2.65Å; T658-T661 PolarHBondContact O-N 3.45Å; T658-T661 VanDerWaalsContact O-N 3.16Å; T658-T661 PolarHBondContact O-OG1 2.7Å; T658-T661 PolarHBondContact OG1-N 3.29Å; T658-T661 PolarHBondContact OG1-OG1 3.04Å; T661-E664 PolarHBondContact O-N 3.05Å; T661-E664 VanDerWaalsContact O-N 3.14Å; T661-L665 PolarHBondContact O-N 3.15Å; T661-N1213 HydrophobicContact CG2-CB 4.14Å; T661-L1214 HydrophobicContact CG2-CD1 4.4Å
662A94.9Very high91Very high0 Ų013.3 Ų13.30%07%0.069CC..Hα-helixtrans-53.8-47-17400000114.6L629 L633 V657 T658 E664 L665 L666L629-A662 HydrophobicContact CD2-CB 4.43Å; L629-A662 HydrophobicContact CG-CB 4.22Å; L633-A662 HydrophobicContact CD1-CB 3.83Å; L633-A662 WeakPolarHBondContact CD1-O 3.42Å; V657-A662 HydrophobicContact CG1-CB 4.42Å; T658-A662 WeakPolarHBondContact O-CB 3.42Å; T658-A662 PolarHBondContact O-N 3.02Å; A662-E664 VanDerWaalsContact C-N 3.29Å; A662-E664 PolarHBondContact O-N 3.23Å; A662-L665 PolarHBondContact O-N 2.97Å; A662-L666 PolarHBondContact O-N 3.2Å
663P95.9Very high90.5Very high3 Ų316.5 Ų16.52%0.0198%0.084CC..Hα-helixtrans-60.5-36.9178.9-25.136.2000113.7L629 P659 R667 L709 L714 T1210L629-P663 HydrophobicContact CD2-CB 4.5Å; L629-P663 HydrophobicContact CD2-CG 4.19Å; P659-P663 WeakPolarHBondContact O-CD 3.08Å; P663-R667 PolarHBondContact O-N 3.42Å; P663-R667 VanDerWaalsContact O-N 3.15Å; P663-L709 HydrophobicContact CB-CD2 4.45Å; P663-L714 HydrophobicContact CB-CB 4.12Å; P663-L714 HydrophobicContact CB-CD2 4.47Å; P663-L714 HydrophobicContact CG-CB 4.02Å; P663-L714 HydrophobicContact CG-CD2 3.97Å; P663-T1210 HydrophobicContact CB-CG2 4.05Å; P663-T1210 HydrophobicContact CG-CG2 3.83Å
664E95.6Very high90Very high2 Ų215 Ų151%0.0097%0.072CC..Hα-helixtrans-74.9-37.7177.9176.463.1-173.800111.5T661 A662 L666 R667 L668 R1211 L1214T661-E664 PolarHBondContact O-N 3.05Å; T661-E664 VanDerWaalsContact O-N 3.14Å; A662-E664 VanDerWaalsContact C-N 3.29Å; A662-E664 PolarHBondContact O-N 3.23Å; E664-L666 VanDerWaalsContact C-N 3.32Å; E664-L666 PolarHBondContact O-N 3.1Å; E664-R667 WeakPolarHBondContact O-CB 3.46Å; E664-R667 PolarHBondContact O-N 3.25Å; E664-R667 IonicContact OE1-CZ 3.7Å; E664-R667 IonicContact OE1-NE 3.06Å; E664-R667 PolarHBondContact OE1-NE 2.97Å; E664-R667 IonicContact OE1-NH2 3.92Å; E664-R667 PolarHBondContact OE1-NH2 3.49Å; E664-R667 IonicContact OE2-CZ 2.82Å; E664-R667 IonicContact OE2-NE 3.15Å; E664-R667 PolarHBondContact OE2-NE 3.12Å; E664-R667 IonicContact OE2-NH2 2.79Å; E664-L668 HydrophobicContact CG-CD1 4.49Å; E664-L668 WeakPolarHBondContact O-CG 3.36Å; E664-L668 PolarHBondContact O-N 3.38Å; E664-R1211 WeakPolarHBondContact OE1-CD 3.44Å; E664-R1211 IonicContact OE1-CZ 2.74Å; E664-R1211 IonicContact OE1-NE 3.98Å; E664-R1211 IonicContact OE1-NH1 3.4Å; E664-R1211 PolarHBondContact OE1-NH1 2.97Å; E664-L1214 HydrophobicContact CB-CD2 4.47Å; E664-L1214 HydrophobicContact CG-CB 3.99Å; E664-L1214 HydrophobicContact CG-CD2 3.51Å; E664-L1214 HydrophobicContact CG-CG 4.36Å
665L95Very high89.2Confident0 Ų014.6 Ų14.60%08%0.082CC..Hα-helixtrans-62.4-39.3172.6-73.3171000111.7L633 L637 F655 V657 T661 A662 R667 L668 T669 L1214L633-L665 HydrophobicContact CD1-CB 4.16Å; L637-L665 HydrophobicContact CD1-CD1 4.13Å; L637-L665 HydrophobicContact CD1-CD2 4.37Å; F655-L665 HydrophobicContact CB-CD2 4.18Å; F655-L665 HydrophobicContact CD2-CD2 4.12Å; F655-L665 HydrophobicContact CG-CD2 4.49Å; V657-L665 HydrophobicContact CB-CD1 4.24Å; V657-L665 HydrophobicContact CG1-CD1 4.12Å; V657-L665 HydrophobicContact CG2-CD1 3.94Å; T661-L665 PolarHBondContact O-N 3.15Å; A662-L665 PolarHBondContact O-N 2.97Å; L665-R667 VanDerWaalsContact C-N 3.34Å; L665-R667 PolarHBondContact O-N 3.02Å; L665-L668 PolarHBondContact O-N 2.78Å; L665-T669 WeakPolarHBondContact O-CB 3.3Å; L665-T669 PolarHBondContact O-N 2.89Å; L665-T669 PolarHBondContact O-OG1 3.33Å; L665-T669 VanDerWaalsContact O-OG1 3.05Å; L665-L1214 HydrophobicContact CD2-CD1 3.74Å; L665-L1214 HydrophobicContact CD2-CD2 4.42Å; L665-L1214 HydrophobicContact CG-CD1 3.99Å
666L95.2Very high88.3Confident1 Ų117.3 Ų17.31%0.00510%0.101CC..Hα-helixtrans-58.6-47.8171.617864.1000110.8L629 L633 A662 E664 L668 T669 L670 L709 A725 W728 A729L629-L666 HydrophobicContact CD1-CD2 4.08Å; L629-L666 HydrophobicContact CD2-CD2 4.46Å; L633-L666 HydrophobicContact CD1-CB 4.03Å; L633-L666 HydrophobicContact CD2-CB 4.28Å; L633-L666 HydrophobicContact CD2-CD1 4.22Å; A662-L666 PolarHBondContact O-N 3.2Å; E664-L666 VanDerWaalsContact C-N 3.32Å; E664-L666 PolarHBondContact O-N 3.1Å; L666-L668 VanDerWaalsContact C-N 3.31Å; L666-L668 PolarHBondContact O-N 3.34Å; L666-T669 PolarHBondContact O-N 3.47Å; L666-L670 HydrophobicContact CD1-CD1 4.01Å; L666-L670 HydrophobicContact CD1-CG 4.09Å; L666-L670 HydrophobicContact CG-CD1 3.92Å; L666-L670 HydrophobicContact CG-CG 4.38Å; L666-L670 VanDerWaalsContact O-CG 3.3Å; L666-L670 WeakPolarHBondContact O-CG 3.5Å; L666-L670 PolarHBondContact O-N 3.39Å; L666-L709 HydrophobicContact CD2-CD1 4.18Å; L666-L709 HydrophobicContact CG-CD1 4.46Å; L666-A725 HydrophobicContact CD2-CB 3.91Å; L666-A725 WeakPolarHBondContact CD2-O 3.39Å; L666-W728 HydrophobicContact CD1-CB 4.45Å; L666-A729 HydrophobicContact CD1-CB 4.39Å
667R94.7Very high87.6Confident18 Ų1819.6 Ų19.67%0.06811%0.112CC..Hα-helixtrans-57.6-44.2178.3-168.6-164.167.473.40.1111.6P663 E664 L665 L671 I706 L709P663-R667 PolarHBondContact O-N 3.42Å; P663-R667 VanDerWaalsContact O-N 3.15Å; E664-R667 WeakPolarHBondContact O-CB 3.46Å; E664-R667 PolarHBondContact O-N 3.25Å; E664-R667 IonicContact OE1-CZ 3.7Å; E664-R667 IonicContact OE1-NE 3.06Å; E664-R667 PolarHBondContact OE1-NE 2.97Å; E664-R667 IonicContact OE1-NH2 3.92Å; E664-R667 PolarHBondContact OE1-NH2 3.49Å; E664-R667 IonicContact OE2-CZ 2.82Å; E664-R667 IonicContact OE2-NE 3.15Å; E664-R667 PolarHBondContact OE2-NE 3.12Å; E664-R667 IonicContact OE2-NH2 2.79Å; L665-R667 VanDerWaalsContact C-N 3.34Å; L665-R667 PolarHBondContact O-N 3.02Å; R667-L671 WeakPolarHBondContact O-CB 3.27Å; R667-L671 PolarHBondContact O-N 3.05Å; R667-I706 HydrophobicContact CG-CG2 4.08Å; R667-L709 HydrophobicContact CB-CB 4.14Å; R667-L709 HydrophobicContact CB-CD1 4.19Å; R667-L709 HydrophobicContact CG-CB 4.07Å
668L92.8Very high86.7Confident2 Ų226 Ų261%0.0114%0.141CC..Hα-helixtrans-67.5-40.2177.9-70.8175.1000112.5E647 L652 E664 L665 L666 N672 L1214E647-L668 HydrophobicContact CB-CD1 4.14Å; E647-L668 HydrophobicContact CG-CD1 3.98Å; E647-L668 WeakPolarHBondContact OE2-CD2 3.47Å; L652-L668 HydrophobicContact CD1-CB 4.3Å; L652-L668 HydrophobicContact CD2-CB 4.27Å; L652-L668 HydrophobicContact CD2-CD1 3.99Å; E664-L668 HydrophobicContact CG-CD1 4.49Å; E664-L668 WeakPolarHBondContact O-CG 3.36Å; E664-L668 PolarHBondContact O-N 3.38Å; L665-L668 PolarHBondContact O-N 2.78Å; L666-L668 VanDerWaalsContact C-N 3.31Å; L666-L668 PolarHBondContact O-N 3.34Å; L668-N672 PolarHBondContact O-N 2.94Å; L668-N672 PolarHBondContact O-ND2 2.89Å; L668-L1214 HydrophobicContact CD1-CD2 3.31Å
669T91.2Very high85.7Confident3 Ų327.4 Ų27.42%0.01815%0.154CC..Hα-helixtrans-58.8-51.4173.8-65.40000110.5V636 I642 L665 L666 L671 N672V636-T669 HydrophobicContact CG1-CG2 4.22Å; I642-T669 HydrophobicContact CG2-CG2 3.71Å; L665-T669 WeakPolarHBondContact O-CB 3.3Å; L665-T669 PolarHBondContact O-N 2.89Å; L665-T669 PolarHBondContact O-OG1 3.33Å; L665-T669 VanDerWaalsContact O-OG1 3.05Å; L666-T669 PolarHBondContact O-N 3.47Å; T669-L671 PolarHBondContact O-N 2.86Å; T669-N672 PolarHBondContact O-N 3.34Å; T669-N672 VanDerWaalsContact O-N 3.17Å
670L89.1Confident84.8Confident0 Ų028.9 Ų28.90%016%0.159CC..Hα-helixtrans-64.5-39.3-179.3-66.5174.2000113L666 N672 E673 V702 L705 I706 W728L666-L670 HydrophobicContact CD1-CD1 4.01Å; L666-L670 HydrophobicContact CD1-CG 4.09Å; L666-L670 HydrophobicContact CG-CD1 3.92Å; L666-L670 HydrophobicContact CG-CG 4.38Å; L666-L670 VanDerWaalsContact O-CG 3.3Å; L666-L670 WeakPolarHBondContact O-CG 3.5Å; L666-L670 PolarHBondContact O-N 3.39Å; L670-N672 PolarHBondContact O-N 3.44Å; L670-E673 WeakPolarHBondContact O-CB 3.45Å; L670-E673 PolarHBondContact O-N 3.1Å; L670-V702 HydrophobicContact CB-CG1 4.24Å; L670-L705 HydrophobicContact CD1-CD2 3.48Å; L670-L705 VanDerWaalsContact CD1-CD2 3.48Å; L670-L705 HydrophobicContact CD1-CG 4.21Å; L670-I706 HydrophobicContact CB-CD1 4.01Å; L670-I706 HydrophobicContact CB-CG1 3.87Å; L670-W728 HydrophobicContact CD1-CG 4.43Å; L670-W728 HydrophobicContact CD2-CB 4.35Å; L670-W728 HydrophobicContact CD2-CD2 3.81Å; L670-W728 HydrophobicContact CD2-CE3 3.42Å; L670-W728 VanDerWaalsContact CD2-CE3 3.42Å; L670-W728 HydrophobicContact CD2-CG 4.2Å; L670-W728 HydrophobicContact CD2-CZ3 4.09Å
671L86.5Confident83.8Confident14 Ų1430.4 Ų30.47%0.07317%0.169CC..Hα-helixtrans-59.5-35.7176.3-178.467000111.6R667 T669 E673 I674 R680 V683 L684 I706R667-L671 WeakPolarHBondContact O-CB 3.27Å; R667-L671 PolarHBondContact O-N 3.05Å; T669-L671 PolarHBondContact O-N 2.86Å; L671-E673 PolarHBondContact O-N 3.38Å; L671-I674 HydrophobicContact CD1-CD1 4.4Å; L671-R680 WeakPolarHBondContact O-CD 3.46Å; L671-R680 WeakPolarHBondContact O-CG 3.3Å; L671-R680 PolarHBondContact O-NE 3.33Å; L671-V683 HydrophobicContact CD1-CG1 4.21Å; L671-L684 HydrophobicContact CD1-CG 4.33Å; L671-L684 HydrophobicContact CD2-CD1 4.33Å; L671-L684 HydrophobicContact CD2-CD2 3.83Å; L671-L684 HydrophobicContact CD2-CG 4.19Å; L671-I706 HydrophobicContact CB-CD1 4.39Å; L671-I706 HydrophobicContact CD1-CG2 4.44Å
672N82.2Confident82.9Confident35 Ų3532.4 Ų32.419%0.18718%0.181CC..THydrogen-bonded Turntrans-76.6-5.5178.8-77.8-62000113.9K645 L668 T669 L670 R680K645-N672 HydrophobicContact CB-CB 4.41Å; K645-N672 HydrophobicContact CD-CB 3.87Å; K645-N672 HydrophobicContact CG-CB 3.82Å; L668-N672 PolarHBondContact O-N 2.94Å; L668-N672 PolarHBondContact O-ND2 2.89Å; T669-N672 PolarHBondContact O-N 3.34Å; T669-N672 VanDerWaalsContact O-N 3.17Å; L670-N672 PolarHBondContact O-N 3.44Å; N672-R680 PolarHBondContact O-NH2 3Å
673E78.3Confident81.9Confident66 Ų6633.1 Ų33.131%0.30819%0.186SC..THydrogen-bonded Turntrans-85.6-25.1176.2-59.7-156.9134.600113.5L670 L671 P675 K732L670-E673 WeakPolarHBondContact O-CB 3.45Å; L670-E673 PolarHBondContact O-N 3.1Å; L671-E673 PolarHBondContact O-N 3.38Å; E673-P675 WeakPolarHBondContact O-CD 3.35Å; E673-K732 VanDerWaalsContact CD-CE 3.41Å; E673-K732 WeakPolarHBondContact OE1-CD 3.39Å; E673-K732 WeakPolarHBondContact OE1-CE 3.41Å; E673-K732 IonicContact OE1-NZ 2.77Å; E673-K732 PolarHBondContact OE1-NZ 2.84Å; E673-K732 WeakPolarHBondContact OE2-CE 3.46Å; E673-K732 IonicContact OE2-NZ 3.83Å; E673-K732 PolarHBondContact OE2-NZ 3.16Å
674I77.9Confident80.8Confident11 Ų1135.5 Ų35.56%0.05620%0.198CC..  trans-61.7107.5179.1-61172000108.5L671 S676 A679 R680 V683 T703 I706L671-I674 HydrophobicContact CD1-CD1 4.4Å; I674-S676 VanDerWaalsContact C-N 3.33Å; I674-S676 PolarHBondContact O-N 2.84Å; I674-A679 HydrophobicContact CG2-CB 3.55Å; I674-R680 HydrophobicContact CB-CG 3.71Å; I674-R680 HydrophobicContact CG2-CG 3.95Å; I674-R680 WeakPolarHBondContact O-CG 3.45Å; I674-R680 PolarHBondContact O-NE 3.31Å; I674-R680 PolarHBondContact O-NH2 2.86Å; I674-V683 HydrophobicContact CD1-CG2 4.05Å; I674-T703 HydrophobicContact CD1-CG2 4.39Å; I674-I706 HydrophobicContact CD1-CD1 4.05Å
675P69Low79.7Confident110 Ų11039.5 Ų39.571%0.71422%0.217SC*.SBendtrans-64.2-37.2-164.2-2333.1000113.3E673 N677E673-P675 WeakPolarHBondContact O-CD 3.35Å; P675-N677 PolarHBondContact O-N 3.45Å
676S71.5Confident78.6Confident58 Ų5841.2 Ų41.241%0.40623%0.225SC..  trans-77.5119.1-178.9171.30000110.8I674 H678 A679 R680I674-S676 VanDerWaalsContact C-N 3.33Å; I674-S676 PolarHBondContact O-N 2.84Å; S676-H678 PolarHBondContact O-N 2.77Å; S676-H678 PolarHBondContact OG-N 2.95Å; S676-A679 PolarHBondContact O-N 3.25Å; S676-A679 VanDerWaalsContact O-N 3.07Å; S676-A679 PolarHBondContact OG-N 3.46Å; S676-A679 VanDerWaalsContact OG-N 3.12Å; S676-R680 PolarHBondContact O-N 2.66Å
677N72Confident77.3Confident64 Ų6441.9 Ų41.934%0.34223%0.228SC..Hα-helixtrans-56.1-35.2170-76-15.7000111.5P675 R680 T681 S1161P675-N677 PolarHBondContact O-N 3.45Å; N677-R680 PolarHBondContact OD1-NH1 2.96Å; N677-T681 WeakPolarHBondContact O-CB 3.49Å; N677-T681 PolarHBondContact O-N 2.84Å; N677-T681 PolarHBondContact O-OG1 2.9Å; N677-S1161 PolarHBondContact ND2-OG 2.82Å
678H71.5Confident76Confident142 Ų14245.6 Ų45.666%0.65725%0.247SC*.Hα-helixtrans-64.7-47.9174.9-170.347.1000110.5S676 R680 T681 T682S676-H678 PolarHBondContact O-N 2.77Å; S676-H678 PolarHBondContact OG-N 2.95Å; H678-R680 PolarHBondContact O-N 3.45Å; H678-T681 CarbonylContact O-C 3.48Å; H678-T681 WeakPolarHBondContact O-CA 3.38Å; H678-T681 WeakPolarHBondContact O-CB 3.24Å; H678-T681 PolarHBondContact O-N 3.18Å; H678-T682 PolarHBondContact O-N 2.98Å; H678-T682 PolarHBondContact O-OG1 3.39Å
679A70Confident74.6Confident37 Ų3751.1 Ų51.131%0.30628%0.276SS..Hα-helixtrans-62.6-40.7177.400000112.8I674 S676 T681 T682 V683I674-A679 HydrophobicContact CG2-CB 3.55Å; S676-A679 PolarHBondContact O-N 3.25Å; S676-A679 VanDerWaalsContact O-N 3.07Å; S676-A679 PolarHBondContact OG-N 3.46Å; S676-A679 VanDerWaalsContact OG-N 3.12Å; A679-T681 VanDerWaalsContact C-N 3.29Å; A679-T681 PolarHBondContact O-N 2.79Å; A679-T682 PolarHBondContact O-N 2.82Å; A679-V683 WeakPolarHBondContact O-CG2 3.47Å; A679-V683 PolarHBondContact O-N 2.92Å
680R71.6Confident72.9Confident31 Ų3156.5 Ų56.512%0.11730%0.301CS..Hα-helixtrans-57.4-44.7170.8-73.5-174-170.4118.76.6111.3L671 N672 I674 S676 N677 H678 V683 L684L671-R680 WeakPolarHBondContact O-CD 3.46Å; L671-R680 WeakPolarHBondContact O-CG 3.3Å; L671-R680 PolarHBondContact O-NE 3.33Å; N672-R680 PolarHBondContact O-NH2 3Å; I674-R680 HydrophobicContact CB-CG 3.71Å; I674-R680 HydrophobicContact CG2-CG 3.95Å; I674-R680 WeakPolarHBondContact O-CG 3.45Å; I674-R680 PolarHBondContact O-NE 3.31Å; I674-R680 PolarHBondContact O-NH2 2.86Å; S676-R680 PolarHBondContact O-N 2.66Å; N677-R680 PolarHBondContact OD1-NH1 2.96Å; H678-R680 PolarHBondContact O-N 3.45Å; R680-V683 PolarHBondContact O-N 3.42Å; R680-L684 WeakPolarHBondContact O-CB 3.49Å; R680-L684 WeakPolarHBondContact O-CG 3.2Å; R680-L684 PolarHBondContact O-N 3.42Å
681T71.8Confident71.1Confident38 Ų3858.8 Ų58.823%0.23332%0.319CS..Hα-helixtrans-64.7-45.4179.1-53.90000110.7N677 H678 A679 V683 L684 E685 R1159N677-T681 WeakPolarHBondContact O-CB 3.49Å; N677-T681 PolarHBondContact O-N 2.84Å; N677-T681 PolarHBondContact O-OG1 2.9Å; H678-T681 CarbonylContact O-C 3.48Å; H678-T681 WeakPolarHBondContact O-CA 3.38Å; H678-T681 WeakPolarHBondContact O-CB 3.24Å; H678-T681 PolarHBondContact O-N 3.18Å; A679-T681 VanDerWaalsContact C-N 3.29Å; A679-T681 PolarHBondContact O-N 2.79Å; T681-V683 PolarHBondContact O-N 2.98Å; T681-L684 CarbonylContact O-C 3.55Å; T681-L684 PolarHBondContact O-N 2.91Å; T681-E685 HydrophobicContact CG2-CG 4.39Å; T681-E685 WeakPolarHBondContact O-CB 3.06Å; T681-E685 VanDerWaalsContact O-CG 3.32Å; T681-E685 WeakPolarHBondContact O-CG 3.38Å; T681-E685 PolarHBondContact O-N 2.72Å; T681-R1159 PolarHBondContact O-NH1 3.2Å
682T74.3Confident69.6Low45 Ų4564.1 Ų64.128%0.27635%0.352SS..Hα-helixtrans-59.1-45.8175.4-51.30000111.2H678 A679 E685 Q686H678-T682 PolarHBondContact O-N 2.98Å; H678-T682 PolarHBondContact O-OG1 3.39Å; A679-T682 PolarHBondContact O-N 2.82Å; T682-E685 PolarHBondContact O-N 3.42Å; T682-Q686 WeakPolarHBondContact O-CB 3.37Å; T682-Q686 VanDerWaalsContact O-CG 3.25Å; T682-Q686 WeakPolarHBondContact O-CG 3.4Å; T682-Q686 PolarHBondContact O-N 3.47Å
683V73.6Confident68.1Low16 Ų1664.5 Ų64.510%0.09736%0.357CS..Hα-helixtrans-60.7-48.6175.4170.90000109.7L671 I674 A679 R680 T681 E685 Q686 L687 T703 I706L671-V683 HydrophobicContact CD1-CG1 4.21Å; I674-V683 HydrophobicContact CD1-CG2 4.05Å; A679-V683 WeakPolarHBondContact O-CG2 3.47Å; A679-V683 PolarHBondContact O-N 2.92Å; R680-V683 PolarHBondContact O-N 3.42Å; T681-V683 PolarHBondContact O-N 2.98Å; V683-E685 PolarHBondContact O-N 3.24Å; V683-Q686 WeakPolarHBondContact O-CB 3.01Å; V683-Q686 PolarHBondContact O-N 2.59Å; V683-L687 HydrophobicContact CG1-CD1 4.02Å; V683-L687 HydrophobicContact CG1-CG 4.35Å; V683-L687 WeakPolarHBondContact O-CG 3.17Å; V683-L687 PolarHBondContact O-N 3.11Å; V683-T703 HydrophobicContact CG2-CG2 4.23Å; V683-I706 HydrophobicContact CG1-CG2 4.27Å
684L72.4Confident66.8Low53 Ų5367.8 Ų67.828%0.27738%0.381SS..Hα-helixtrans-60.1-39.2176.2-76166.4000113.5L671 R680 T681 L687 Q688 R1159L671-L684 HydrophobicContact CD1-CG 4.33Å; L671-L684 HydrophobicContact CD2-CD1 4.33Å; L671-L684 HydrophobicContact CD2-CD2 3.83Å; L671-L684 HydrophobicContact CD2-CG 4.19Å; R680-L684 WeakPolarHBondContact O-CB 3.49Å; R680-L684 WeakPolarHBondContact O-CG 3.2Å; R680-L684 PolarHBondContact O-N 3.42Å; T681-L684 CarbonylContact O-C 3.55Å; T681-L684 PolarHBondContact O-N 2.91Å; L684-L687 HydrophobicContact CD2-CD1 4.36Å; L684-L687 PolarHBondContact O-N 3.49Å; L684-Q688 WeakPolarHBondContact O-CG 3Å; L684-Q688 PolarHBondContact O-N 3.35Å; L684-Q688 VanDerWaalsContact O-N 3.13Å; L684-R1159 VanDerWaalsContact CB-NH1 3.33Å
685E72.4Confident65.1Low85 Ų8570.7 Ų70.740%0.39741%0.407SS..Hα-helixtrans-65.4-42.5173.6-71.9176.1-177.200111.5T681 T682 V683 L687 Q688 N689T681-E685 HydrophobicContact CG2-CG 4.39Å; T681-E685 WeakPolarHBondContact O-CB 3.06Å; T681-E685 VanDerWaalsContact O-CG 3.32Å; T681-E685 WeakPolarHBondContact O-CG 3.38Å; T681-E685 PolarHBondContact O-N 2.72Å; T682-E685 PolarHBondContact O-N 3.42Å; V683-E685 PolarHBondContact O-N 3.24Å; E685-L687 VanDerWaalsContact C-N 3.32Å; E685-L687 PolarHBondContact O-N 2.87Å; E685-Q688 PolarHBondContact O-N 3.24Å; E685-N689 VanDerWaalsContact O-CB 3.27Å; E685-N689 WeakPolarHBondContact O-CB 2.97Å; E685-N689 PolarHBondContact O-N 2.8Å; E685-N689 PolarHBondContact O-ND2 2.76Å
686Q72Confident64.1Low36 Ų3671.1 Ų71.117%0.16840%0.403CS..Hα-helixtrans-62.9-38.7175.2-73.8172.5-5.400111.6T682 V683 Q688 N689 H690 A691T682-Q686 WeakPolarHBondContact O-CB 3.37Å; T682-Q686 VanDerWaalsContact O-CG 3.25Å; T682-Q686 WeakPolarHBondContact O-CG 3.4Å; T682-Q686 PolarHBondContact O-N 3.47Å; V683-Q686 WeakPolarHBondContact O-CB 3.01Å; V683-Q686 PolarHBondContact O-N 2.59Å; Q686-Q688 VanDerWaalsContact C-N 3.31Å; Q686-Q688 PolarHBondContact O-N 3.2Å; Q686-N689 PolarHBondContact O-N 3.11Å; Q686-H690 PolarHBondContact O-N 2.95Å; Q686-A691 HydrophobicContact CG-CB 4.4Å
687L69.1Low62.9Low15 Ų1573.2 Ų73.28%0.07942%0.416CS..Hα-helixtrans-63.5-37.1176.1-65.4169.9000112V683 L684 E685 I706 H707 S710 R1207V683-L687 HydrophobicContact CG1-CD1 4.02Å; V683-L687 HydrophobicContact CG1-CG 4.35Å; V683-L687 WeakPolarHBondContact O-CG 3.17Å; V683-L687 PolarHBondContact O-N 3.11Å; L684-L687 HydrophobicContact CD2-CD1 4.36Å; L684-L687 PolarHBondContact O-N 3.49Å; E685-L687 VanDerWaalsContact C-N 3.32Å; E685-L687 PolarHBondContact O-N 2.87Å; L687-I706 HydrophobicContact CD1-CG2 4.09Å; L687-H707 HydrophobicContact CD2-CB 3.84Å; L687-S710 WeakPolarHBondContact CD2-OG 3.47Å; L687-R1207 PolarHBondContact O-NH1 3.05Å
688Q66.2Low61.8Low97 Ų9777.5 Ų77.545%0.45344%0.438SS..Hα-helixtrans-74.4-46.9174.9-71.9-175.6-11.600112.3L684 E685 Q686 H690 R1159L684-Q688 WeakPolarHBondContact O-CG 3Å; L684-Q688 PolarHBondContact O-N 3.35Å; L684-Q688 VanDerWaalsContact O-N 3.13Å; E685-Q688 PolarHBondContact O-N 3.24Å; Q686-Q688 VanDerWaalsContact C-N 3.31Å; Q686-Q688 PolarHBondContact O-N 3.2Å; Q688-H690 PolarHBondContact O-N 3.3Å; Q688-R1159 VanDerWaalsContact CD-NH2 3.31Å
689N63.9Low61Low118 Ų11874.5 Ų74.563%0.63143%0.427SS*.Hα-helixtrans-87.1-0.5-170.8-67.2-20.9000115.1E685 Q686 A691E685-N689 VanDerWaalsContact O-CB 3.27Å; E685-N689 WeakPolarHBondContact O-CB 2.97Å; E685-N689 PolarHBondContact O-N 2.8Å; E685-N689 PolarHBondContact O-ND2 2.76Å; Q686-N689 PolarHBondContact O-N 3.11Å; N689-A691 PolarHBondContact O-N 2.99Å; N689-A691 VanDerWaalsContact O-N 3.14Å
690H55.7Low60.8Low115 Ų11574.6 Ų74.653%0.53243%0.426SS..THydrogen-bonded Turntrans59.817.6-177.1-62-83.8000115.7Q686 Q688 R1207Q686-H690 PolarHBondContact O-N 2.95Å; Q688-H690 PolarHBondContact O-N 3.3Å; H690-R1207 PolarHBondContact CE1-NH1 3.49Å; H690-R1207 VanDerWaalsContact CE1-NH1 3.25Å; H690-R1207 PolarHBondContact CE1-NH2 3.1Å; H690-R1207 PolarHBondContact NE2-NH2 3.05Å
691A52.1Low60.9Low48 Ų4875.7 Ų75.740%0.39744%0.438SS..PPolyproline II helixtrans-73137.7177.300000111.4Q686 N689Q686-A691 HydrophobicContact CG-CB 4.4Å; N689-A691 PolarHBondContact O-N 2.99Å; N689-A691 VanDerWaalsContact O-N 3.14Å
692V54.5Low61.4Low126 Ų12674.4 Ų74.476%0.76443%0.43SS*.PPolyproline II helixtrans-64.1136.3176.1179.30000109.3V694V692-V694 PolarHBondContact O-N 2.92Å
693P51Low61.8Low44 Ų4473.6 Ų73.629%0.28643%0.425SS..PPolyproline II helixtrans-60.7126.6-177.5-18.629.1000111.7A695P693-A695 PolarHBondContact O-N 3.46Å
694V50.2Low62.3Low134 Ų13477.8 Ų77.881%0.81244%0.444SS*.  trans-76105.7163.3-179.20000106.6V692V692-V694 PolarHBondContact O-N 2.92Å
695A43.3Very low63.1Low73 Ų7375.4 Ų75.460%0.60343%0.431SS*.  trans-76.2123.5-16800000112.7P693P693-A695 PolarHBondContact O-N 3.46Å
696D46.9Very low63.9Low119 Ų11971.3 Ų71.364%0.63641%0.412SS*.  trans-87.4122.2156.3-158.1-8.7000107.3N698 N699D696-N698 VanDerWaalsContact C-N 3.27Å; D696-N698 PolarHBondContact O-N 3.23Å; D696-N698 VanDerWaalsContact O-N 3.1Å; D696-N699 PolarHBondContact O-N 2.91Å
697P46.4Very low64.7Low102 Ų10270.8 Ų70.866%0.66241%0.41SS*.G310 helixtrans-56.9-31.6-165.213.8-29.5000115.3S700P697-S700 PolarHBondContact O-OG 3.29Å
698N48.5Very low65.7Low154 Ų15473.2 Ų73.282%0.82442%0.42SS*.G310 helixtrans-83.4-19.6-174.3-76.7-8.4000115.1D696D696-N698 VanDerWaalsContact C-N 3.27Å; D696-N698 PolarHBondContact O-N 3.23Å; D696-N698 VanDerWaalsContact O-N 3.1Å
699N54.8Low67Low79 Ų7968.8 Ų68.842%0.42240%0.4SS..G310 helixtrans-11213.4-179.5-90.8-20.3000113.5D696 S701 T703D696-N699 PolarHBondContact O-N 2.91Å; N699-S701 PolarHBondContact O-N 3.36Å; N699-T703 WeakPolarHBondContact O-CG2 3.28Å; N699-T703 PolarHBondContact O-N 2.95Å; N699-T703 PolarHBondContact O-OG1 3.2Å
700S66.1Low68.3Low39 Ų3964.1 Ų64.127%0.27338%0.377SS..Hα-helixtrans-62.7-37.5-171.562.10000113.8P697 T703 Q704P697-S700 PolarHBondContact O-OG 3.29Å; S700-T703 PolarHBondContact O-OG1 2.67Å; S700-T703 VanDerWaalsContact O-OG1 3.1Å; S700-Q704 VanDerWaalsContact O-CB 3.28Å; S700-Q704 WeakPolarHBondContact O-CB 3.45Å; S700-Q704 VanDerWaalsContact O-CD 3.29Å; S700-Q704 WeakPolarHBondContact O-CG 3.49Å; S700-Q704 PolarHBondContact O-N 3.07Å; S700-Q704 VanDerWaalsContact O-N 3.11Å
701S74.5Confident69.9Low54 Ų5462.1 Ų62.138%0.37837%0.366SS..Hα-helixtrans-73.5-42.1-176.664.10000113.3N699 Q704 L705N699-S701 PolarHBondContact O-N 3.36Å; S701-Q704 PolarHBondContact O-N 3.36Å; S701-L705 PolarHBondContact O-N 3.01Å
702V80.9Confident71.8Confident10 Ų1061.6 Ų61.66%0.06136%0.36CS..Hα-helixtrans-63.2-50.3178179.10000110.6L670 Q704 L705 I706 W728L670-V702 HydrophobicContact CB-CG1 4.24Å; V702-Q704 VanDerWaalsContact C-N 3.29Å; V702-Q704 PolarHBondContact O-N 2.94Å; V702-L705 PolarHBondContact O-N 3.04Å; V702-L705 VanDerWaalsContact O-N 3.11Å; V702-I706 HydrophobicContact CG1-CD1 3.73Å; V702-I706 HydrophobicContact CG1-CG1 4.31Å; V702-I706 WeakPolarHBondContact O-CG1 3.46Å; V702-I706 PolarHBondContact O-N 3.47Å; V702-W728 HydrophobicContact CB-CZ2 4.32Å; V702-W728 HydrophobicContact CG2-CH2 3.14Å; V702-W728 HydrophobicContact CG2-CZ2 3.03Å; V702-W728 HydrophobicContact CG2-CZ3 3.96Å
703T82.6Confident73.7Confident29 Ų2955.8 Ų55.818%0.17832%0.324CS..Hα-helixtrans-62.9-38.6-178.450.80000111.1I674 V683 N699 S700 H707I674-T703 HydrophobicContact CD1-CG2 4.39Å; V683-T703 HydrophobicContact CG2-CG2 4.23Å; N699-T703 WeakPolarHBondContact O-CG2 3.28Å; N699-T703 PolarHBondContact O-N 2.95Å; N699-T703 PolarHBondContact O-OG1 3.2Å; S700-T703 PolarHBondContact O-OG1 2.67Å; S700-T703 VanDerWaalsContact O-OG1 3.1Å; T703-H707 VanDerWaalsContact O-CB 3.3Å; T703-H707 WeakPolarHBondContact O-CB 3.34Å; T703-H707 PolarHBondContact O-N 3.18Å
704Q84.8Confident75.7Confident104 Ų10453.7 Ų53.749%0.48631%0.311SS..Hα-helixtrans-61.1-47.6170.6-76.61718.600112.1S700 S701 V702 H707 Q708S700-Q704 VanDerWaalsContact O-CB 3.28Å; S700-Q704 WeakPolarHBondContact O-CB 3.45Å; S700-Q704 VanDerWaalsContact O-CD 3.29Å; S700-Q704 WeakPolarHBondContact O-CG 3.49Å; S700-Q704 PolarHBondContact O-N 3.07Å; S700-Q704 VanDerWaalsContact O-N 3.11Å; S701-Q704 PolarHBondContact O-N 3.36Å; V702-Q704 VanDerWaalsContact C-N 3.29Å; V702-Q704 PolarHBondContact O-N 2.94Å; Q704-H707 PolarHBondContact O-N 2.75Å; Q704-Q708 VanDerWaalsContact O-CG 3.27Å; Q704-Q708 WeakPolarHBondContact O-CG 3.23Å; Q704-Q708 PolarHBondContact O-N 3.32Å
705L88.6Confident77.7Confident2 Ų248.2 Ų48.21%0.0128%0.276CS..Hα-helixtrans-62-45.9179.3179.264.1000111.8L670 S701 V702 H707 Q708 L709 I721 I724 A725 W728L670-L705 HydrophobicContact CD1-CD2 3.48Å; L670-L705 VanDerWaalsContact CD1-CD2 3.48Å; L670-L705 HydrophobicContact CD1-CG 4.21Å; S701-L705 PolarHBondContact O-N 3.01Å; V702-L705 PolarHBondContact O-N 3.04Å; V702-L705 VanDerWaalsContact O-N 3.11Å; L705-H707 VanDerWaalsContact C-N 3.25Å; L705-H707 PolarHBondContact O-N 3.06Å; L705-Q708 PolarHBondContact O-N 2.82Å; L705-L709 HydrophobicContact CD1-CD1 3.91Å; L705-L709 HydrophobicContact CD1-CG 4Å; L705-L709 HydrophobicContact CD2-CD1 4.45Å; L705-L709 HydrophobicContact CG-CD1 3.9Å; L705-L709 HydrophobicContact CG-CG 4.37Å; L705-L709 WeakPolarHBondContact O-CB 3.34Å; L705-L709 WeakPolarHBondContact O-CG 3.43Å; L705-L709 PolarHBondContact O-N 2.87Å; L705-I721 HydrophobicContact CD1-CG2 3.63Å; L705-I724 HydrophobicContact CD1-CG2 4.5Å; L705-I724 HydrophobicContact CD2-CG2 4.15Å; L705-A725 HydrophobicContact CD1-CB 4.3Å; L705-W728 HydrophobicContact CD2-CB 4.35Å; L705-W728 HydrophobicContact CD2-CG 4.03Å
706I89.8Confident80Confident0 Ų050 Ų500%027%0.272CS..Hα-helixtrans-56.2-45.1176.1-68.7167000110.1R667 L670 L671 I674 V683 L687 V702 S710R667-I706 HydrophobicContact CG-CG2 4.08Å; L670-I706 HydrophobicContact CB-CD1 4.01Å; L670-I706 HydrophobicContact CB-CG1 3.87Å; L671-I706 HydrophobicContact CB-CD1 4.39Å; L671-I706 HydrophobicContact CD1-CG2 4.44Å; I674-I706 HydrophobicContact CD1-CD1 4.05Å; V683-I706 HydrophobicContact CG1-CG2 4.27Å; L687-I706 HydrophobicContact CD1-CG2 4.09Å; V702-I706 HydrophobicContact CG1-CD1 3.73Å; V702-I706 HydrophobicContact CG1-CG1 4.31Å; V702-I706 WeakPolarHBondContact O-CG1 3.46Å; V702-I706 PolarHBondContact O-N 3.47Å; I706-S710 WeakPolarHBondContact O-CB 3.46Å; I706-S710 PolarHBondContact O-N 3.34Å
707H88.6Confident82.2Confident25 Ų2544.6 Ų44.612%0.11624%0.243CC..Hα-helixtrans-66.9-41.4179.9174.2-92.4000112.8L687 T703 Q704 L705 S710 K711L687-H707 HydrophobicContact CD2-CB 3.84Å; T703-H707 VanDerWaalsContact O-CB 3.3Å; T703-H707 WeakPolarHBondContact O-CB 3.34Å; T703-H707 PolarHBondContact O-N 3.18Å; Q704-H707 PolarHBondContact O-N 2.75Å; L705-H707 VanDerWaalsContact C-N 3.25Å; L705-H707 PolarHBondContact O-N 3.06Å; H707-S710 PolarHBondContact O-N 3.05Å; H707-S710 PolarHBondContact O-OG 3.39Å; H707-K711 WeakPolarHBondContact CE1-CE 3.5Å; H707-K711 PolarHBondContact CE1-NZ 3.42Å; H707-K711 WeakPolarHBondContact NE2-CE 3.35Å; H707-K711 PolarHBondContact NE2-NZ 3.06Å; H707-K711 WeakPolarHBondContact O-CG 3.28Å; H707-K711 PolarHBondContact O-N 3.26Å
708Q91.6Very high84.2Confident65 Ų6546.8 Ų46.830%0.30424%0.243SC..Hα-helixtrans-63.6-49.1175.5-68.4-65.6-18.900111.7Q704 L705 S710 K711 S712 L717 I721Q704-Q708 VanDerWaalsContact O-CG 3.27Å; Q704-Q708 WeakPolarHBondContact O-CG 3.23Å; Q704-Q708 PolarHBondContact O-N 3.32Å; L705-Q708 PolarHBondContact O-N 2.82Å; Q708-S710 PolarHBondContact O-N 2.57Å; Q708-K711 PolarHBondContact O-N 3.43Å; Q708-S712 PolarHBondContact O-N 3.06Å; Q708-S712 VanDerWaalsContact O-N 3.11Å; Q708-L717 HydrophobicContact CB-CD1 4.31Å; Q708-L717 HydrophobicContact CB-CD2 3.99Å; Q708-I721 HydrophobicContact CB-CG2 4.16Å; Q708-I721 HydrophobicContact CG-CG2 4.47Å
709L93.2Very high86.2Confident4 Ų439.5 Ų39.52%0.02120%0.204CC..Hα-helixtrans-64.5-23.7178.1-69.9174000113.3P663 L666 R667 L705 L714 L717P663-L709 HydrophobicContact CB-CD2 4.45Å; L666-L709 HydrophobicContact CD2-CD1 4.18Å; L666-L709 HydrophobicContact CG-CD1 4.46Å; R667-L709 HydrophobicContact CB-CB 4.14Å; R667-L709 HydrophobicContact CB-CD1 4.19Å; R667-L709 HydrophobicContact CG-CB 4.07Å; L705-L709 HydrophobicContact CD1-CD1 3.91Å; L705-L709 HydrophobicContact CD1-CG 4Å; L705-L709 HydrophobicContact CD2-CD1 4.45Å; L705-L709 HydrophobicContact CG-CD1 3.9Å; L705-L709 HydrophobicContact CG-CG 4.37Å; L705-L709 WeakPolarHBondContact O-CB 3.34Å; L705-L709 WeakPolarHBondContact O-CG 3.43Å; L705-L709 PolarHBondContact O-N 2.87Å; L709-L714 HydrophobicContact CD2-CD1 4.3Å; L709-L717 HydrophobicContact CD2-CD1 3.85Å
710S90.8Very high87.8Confident21 Ų2138.5 Ų38.515%0.14720%0.197CC..Hα-helixtrans-76.7-23.3173.879.60000113.8L687 I706 H707 Q708 R1207L687-S710 WeakPolarHBondContact CD2-OG 3.47Å; I706-S710 WeakPolarHBondContact O-CB 3.46Å; I706-S710 PolarHBondContact O-N 3.34Å; H707-S710 PolarHBondContact O-N 3.05Å; H707-S710 PolarHBondContact O-OG 3.39Å; Q708-S710 PolarHBondContact O-N 2.57Å; S710-R1207 WeakPolarHBondContact O-CB 3.23Å
711K89.1Confident89Confident72 Ų7238 Ų3831%0.31319%0.191SC..Hα-helixtrans-97-36.2-173-76.7-173.4174-176.10112.7H707 Q708H707-K711 WeakPolarHBondContact CE1-CE 3.5Å; H707-K711 PolarHBondContact CE1-NZ 3.42Å; H707-K711 WeakPolarHBondContact NE2-CE 3.35Å; H707-K711 PolarHBondContact NE2-NZ 3.06Å; H707-K711 WeakPolarHBondContact O-CG 3.28Å; H707-K711 PolarHBondContact O-N 3.26Å; Q708-K711 PolarHBondContact O-N 3.43Å
712S91.8Very high89.9Confident37 Ų3735.6 Ų35.626%0.25917%0.173SC..SBendtrans-142.6149.8-171.4-66.10000110.9Q708 E716Q708-S712 PolarHBondContact O-N 3.06Å; Q708-S712 VanDerWaalsContact O-N 3.11Å; S712-E716 WeakPolarHBondContact CA-OE2 3.32Å; S712-E716 VanDerWaalsContact CB-OE2 3.31Å; S712-E716 WeakPolarHBondContact CB-OE2 3.42Å
713D94Very high90.5Very high4 Ų435.1 Ų35.12%0.02117%0.17CC..  trans-69.3152.6175-79.3-66.4000110.2H715 E716 L1035 T1208 L1209 T1210D713-H715 WeakPolarHBondContact CB-ND1 3.39Å; D713-H715 PolarHBondContact O-N 3.49Å; D713-E716 HydrophobicContact CB-CG 4.5Å; D713-E716 PolarHBondContact N-OE2 2.88Å; D713-E716 WeakPolarHBondContact O-CB 3.31Å; D713-E716 PolarHBondContact O-N 3.15Å; D713-L1035 HydrophobicContact CB-CD1 4.21Å; D713-T1208 WeakPolarHBondContact OD1-CB 3.33Å; D713-L1209 PolarHBondContact OD1-N 2.84Å; D713-L1209 WeakPolarHBondContact OD2-CB 3.47Å; D713-L1209 PolarHBondContact OD2-N 3.03Å; D713-T1210 WeakPolarHBondContact OD1-CB 3.28Å; D713-T1210 WeakPolarHBondContact OD1-CG2 3.44Å; D713-T1210 PolarHBondContact OD1-N 2.83Å; D713-T1210 PolarHBondContact OD1-OG1 3.27Å
714L93.8Very high90.9Very high1 Ų135.4 Ų35.41%0.00517%0.17CC..THydrogen-bonded Turntrans-52.3-31.5-173.8-179.862.3000114Y622 L625 L629 P663 L709 E716 L717 R722 A725Y622-L714 HydrophobicContact CE2-CB 4.44Å; L625-L714 HydrophobicContact CD2-CD1 4.38Å; L625-L714 HydrophobicContact CD2-CD2 3.83Å; L625-L714 HydrophobicContact CD2-CG 3.77Å; L625-L714 HydrophobicContact CG-CD2 3.88Å; L625-L714 HydrophobicContact CG-CG 4.39Å; L629-L714 HydrophobicContact CD2-CD2 3.95Å; P663-L714 HydrophobicContact CB-CB 4.12Å; P663-L714 HydrophobicContact CB-CD2 4.47Å; P663-L714 HydrophobicContact CG-CB 4.02Å; P663-L714 HydrophobicContact CG-CD2 3.97Å; L709-L714 HydrophobicContact CD2-CD1 4.3Å; L714-E716 VanDerWaalsContact C-N 3.33Å; L714-L717 HydrophobicContact CD1-CD1 4.4Å; L714-R722 HydrophobicContact CD1-CG 4.24Å; L714-R722 PolarHBondContact O-NE 3.38Å; L714-A725 HydrophobicContact CD1-CB 3.99Å
715H91.9Very high91.4Very high18 Ų1830.5 Ų30.58%0.08315%0.148CC..THydrogen-bonded Turntrans-77.7-13.9-17978-88.5000114.4P617 Y622 D713 R722 A1031P617-H715 HydrophobicContact CG-CB 3.69Å; Y622-H715 HydrophobicContact CD2-CB 3.66Å; Y622-H715 HydrophobicContact CE2-CB 4.24Å; Y622-H715 HydrophobicContact CG-CB 4.35Å; D713-H715 WeakPolarHBondContact CB-ND1 3.39Å; D713-H715 PolarHBondContact O-N 3.49Å; H715-R722 PolarHBondContact O-NH2 3.31Å; H715-A1031 HydrophobicContact CB-CB 3.93Å
716E92Very high91.7Very high110 Ų11030.4 Ų30.451%0.51415%0.147SC..THydrogen-bonded Turntrans-94.1-16.6177.9-57.6175.3149.600111.6S712 D713 L714S712-E716 WeakPolarHBondContact CA-OE2 3.32Å; S712-E716 VanDerWaalsContact CB-OE2 3.31Å; S712-E716 WeakPolarHBondContact CB-OE2 3.42Å; D713-E716 HydrophobicContact CB-CG 4.5Å; D713-E716 PolarHBondContact N-OE2 2.88Å; D713-E716 WeakPolarHBondContact O-CB 3.31Å; D713-E716 PolarHBondContact O-N 3.15Å; L714-E716 VanDerWaalsContact C-N 3.33Å
717L91.9Very high91.9Very high6 Ų632.9 Ų32.93%0.03116%0.159CC..SBendtrans-75.1159-176.3-62.4177.7000112.2Q708 L709 L714 I721 R722Q708-L717 HydrophobicContact CB-CD1 4.31Å; Q708-L717 HydrophobicContact CB-CD2 3.99Å; L709-L717 HydrophobicContact CD2-CD1 3.85Å; L714-L717 HydrophobicContact CD1-CD1 4.4Å; L717-I721 HydrophobicContact CB-CB 4.23Å; L717-I721 HydrophobicContact CB-CG2 4.32Å; L717-I721 HydrophobicContact CD1-CG2 3.76Å; L717-R722 PolarHBondContact O-NE 3.23Å; L717-R722 PolarHBondContact O-NH2 3.33Å
718F89.8Confident92Very high148 Ų14833.7 Ų33.765%0.64916%0.161SC*.  trans-64151.6175.8-69.6-74.4000112.6E720 I721 R722F718-E720 WeakPolarHBondContact CB-OE2 3.46Å; F718-E720 PolarHBondContact O-N 3Å; F718-E720 VanDerWaalsContact O-N 3.13Å; F718-I721 PolarHBondContact O-N 2.97Å; F718-R722 PolarHBondContact O-N 3.34Å
719P90.4Very high92Very high1 Ų130.6 Ų30.61%0.00615%0.146CC..Hα-helixtrans-50-38.9-179.6-29.336.5000114.3F506 I612 I721 R722 V723F506-P719 HydrophobicContact CD2-CB 3.73Å; F506-P719 HydrophobicContact CE2-CB 4.23Å; I612-P719 HydrophobicContact CG2-CB 3.83Å; P719-I721 VanDerWaalsContact C-N 3.35Å; P719-I721 PolarHBondContact O-N 3.33Å; P719-R722 PolarHBondContact O-N 3.26Å; P719-V723 WeakPolarHBondContact O-CG2 3.09Å; P719-V723 PolarHBondContact O-N 2.8Å; P719-V723 VanDerWaalsContact O-N 3.08Å
720E88.5Confident92Very high59 Ų5931 Ų3128%0.27615%0.149SC..Hα-helixtrans-56.3-48.1176.8-67.867.9-156.900111.7L510 F718 V723 I724L510-E720 HydrophobicContact CD1-CG 3.57Å; L510-E720 WeakPolarHBondContact CD1-OE1 3.19Å; L510-E720 HydrophobicContact CD2-CB 4.41Å; L510-E720 HydrophobicContact CD2-CG 4.11Å; L510-E720 HydrophobicContact CG-CG 4.43Å; F718-E720 WeakPolarHBondContact CB-OE2 3.46Å; F718-E720 PolarHBondContact O-N 3Å; F718-E720 VanDerWaalsContact O-N 3.13Å; E720-V723 PolarHBondContact O-N 3.15Å; E720-I724 WeakPolarHBondContact O-CD1 3.49Å; E720-I724 VanDerWaalsContact O-CG1 3.22Å; E720-I724 WeakPolarHBondContact O-CG1 3.25Å; E720-I724 PolarHBondContact O-N 3.44Å
721I91Very high92Very high28 Ų2833.7 Ų33.714%0.14416%0.162CC..Hα-helixtrans-71.8-34.2-176.1-53.7-59.5000110.5L705 Q708 L717 F718 P719 I724 A725L705-I721 HydrophobicContact CD1-CG2 3.63Å; Q708-I721 HydrophobicContact CB-CG2 4.16Å; Q708-I721 HydrophobicContact CG-CG2 4.47Å; L717-I721 HydrophobicContact CB-CB 4.23Å; L717-I721 HydrophobicContact CB-CG2 4.32Å; L717-I721 HydrophobicContact CD1-CG2 3.76Å; F718-I721 PolarHBondContact O-N 2.97Å; P719-I721 VanDerWaalsContact C-N 3.35Å; P719-I721 PolarHBondContact O-N 3.33Å; I721-I724 HydrophobicContact CD1-CD1 4.28Å; I721-I724 PolarHBondContact O-N 2.96Å; I721-A725 PolarHBondContact O-N 3.23Å
722R93.4Very high92Very high4 Ų431 Ų312%0.01515%0.15CC..Hα-helixtrans-63.2-41.2174.2-62.7178.3-164.7176.610.1112A611 I612 T614 L625 L714 H715 L717 F718 P719 L726A611-R722 PolarHBondContact O-NH1 2.8Å; A611-R722 VanDerWaalsContact O-NH1 3.14Å; I612-R722 HydrophobicContact CG1-CB 4.34Å; I612-R722 PolarHBondContact O-NH1 3.46Å; T614-R722 PolarHBondContact O-NH1 2.83Å; T614-R722 PolarHBondContact O-NH2 3.01Å; L625-R722 HydrophobicContact CD2-CB 3.98Å; L625-R722 HydrophobicContact CD2-CG 3.94Å; L714-R722 HydrophobicContact CD1-CG 4.24Å; L714-R722 PolarHBondContact O-NE 3.38Å; H715-R722 PolarHBondContact O-NH2 3.31Å; L717-R722 PolarHBondContact O-NE 3.23Å; L717-R722 PolarHBondContact O-NH2 3.33Å; F718-R722 PolarHBondContact O-N 3.34Å; P719-R722 PolarHBondContact O-N 3.26Å; R722-L726 PolarHBondContact O-N 2.86Å
723V93.1Very high91.9Very high0 Ų029.2 Ų29.20%014%0.138CC..Hα-helixtrans-63.3-49.5173.3172.30000110.3F506 R513 L517 I612 P719 E720 A725 L726 E727F506-V723 HydrophobicContact CE2-CG2 4.15Å; F506-V723 HydrophobicContact CZ-CG2 4.49Å; R513-V723 HydrophobicContact CB-CG1 4.26Å; L517-V723 HydrophobicContact CD1-CG1 3.97Å; I612-V723 HydrophobicContact CD1-CG2 3.93Å; I612-V723 HydrophobicContact CG2-CG2 3.91Å; P719-V723 WeakPolarHBondContact O-CG2 3.09Å; P719-V723 PolarHBondContact O-N 2.8Å; P719-V723 VanDerWaalsContact O-N 3.08Å; E720-V723 PolarHBondContact O-N 3.15Å; V723-A725 VanDerWaalsContact C-N 3.28Å; V723-A725 PolarHBondContact O-N 3.38Å; V723-L726 PolarHBondContact O-N 3.07Å; V723-L726 VanDerWaalsContact O-N 3.12Å; V723-E727 HydrophobicContact CG1-CG 4.28Å; V723-E727 WeakPolarHBondContact O-CG 3.41Å; V723-E727 PolarHBondContact O-N 2.96Å
724I91.7Very high91.5Very high34 Ų3434.1 Ų34.117%0.17416%0.159CC..Hα-helixtrans-58.4-39.3-179.5-69.9164.1000111.3R513 L705 E720 I721 L726 E727 W728R513-I724 VanDerWaalsContact NH2-CG1 3.29Å; L705-I724 HydrophobicContact CD1-CG2 4.5Å; L705-I724 HydrophobicContact CD2-CG2 4.15Å; E720-I724 WeakPolarHBondContact O-CD1 3.49Å; E720-I724 VanDerWaalsContact O-CG1 3.22Å; E720-I724 WeakPolarHBondContact O-CG1 3.25Å; E720-I724 PolarHBondContact O-N 3.44Å; I721-I724 HydrophobicContact CD1-CD1 4.28Å; I721-I724 PolarHBondContact O-N 2.96Å; I724-L726 VanDerWaalsContact C-N 3.35Å; I724-L726 PolarHBondContact O-N 2.78Å; I724-E727 PolarHBondContact O-N 3.15Å; I724-W728 VanDerWaalsContact O-CD1 3.28Å; I724-W728 PolarHBondContact O-N 3.07Å
725A93.7Very high91.1Very high1 Ų138.9 Ų38.91%0.00818%0.184CC..Hα-helixtrans-60.3-41.7177.200000112.9L666 L705 L714 I721 V723 A729L666-A725 HydrophobicContact CD2-CB 3.91Å; L666-A725 WeakPolarHBondContact CD2-O 3.39Å; L705-A725 HydrophobicContact CD1-CB 4.3Å; L714-A725 HydrophobicContact CD1-CB 3.99Å; I721-A725 PolarHBondContact O-N 3.23Å; V723-A725 VanDerWaalsContact C-N 3.28Å; V723-A725 PolarHBondContact O-N 3.38Å; A725-A729 PolarHBondContact O-N 3.25Å
726L95.1Very high90.7Very high1 Ų139.1 Ų39.11%0.00519%0.186CC..Hα-helixtrans-69.8-41.6174.9-72.7178.9000112L517 F521 L608 L625 P628 L629 L632 R722 V723 I724 W728 A729 V730L517-L726 HydrophobicContact CD1-CB 3.86Å; L517-L726 HydrophobicContact CD1-CD1 4.3Å; L517-L726 HydrophobicContact CD2-CB 4.27Å; F521-L726 HydrophobicContact CZ-CD2 4.29Å; L608-L726 HydrophobicContact CD1-CD1 4.11Å; L608-L726 HydrophobicContact CD2-CD1 4.35Å; L625-L726 HydrophobicContact CD1-CD1 3.65Å; L625-L726 HydrophobicContact CD1-CD2 4.34Å; L625-L726 HydrophobicContact CD1-CG 3.9Å; P628-L726 HydrophobicContact CB-CD2 4.48Å; L629-L726 HydrophobicContact CB-CD2 3.93Å; L629-L726 HydrophobicContact CD1-CD2 4.49Å; L632-L726 HydrophobicContact CD1-CD2 4.48Å; R722-L726 PolarHBondContact O-N 2.86Å; V723-L726 PolarHBondContact O-N 3.07Å; V723-L726 VanDerWaalsContact O-N 3.12Å; I724-L726 VanDerWaalsContact C-N 3.35Å; I724-L726 PolarHBondContact O-N 2.78Å; L726-W728 VanDerWaalsContact C-N 3.35Å; L726-W728 PolarHBondContact O-N 3.29Å; L726-A729 PolarHBondContact O-N 2.76Å; L726-V730 WeakPolarHBondContact O-CG2 3.36Å; L726-V730 PolarHBondContact O-N 2.97Å
727E93.8Very high90.3Very high52 Ų5239.7 Ų39.724%0.24319%0.193CC..Hα-helixtrans-59.3-45.1177.3-72.5178.7170.200111.9R513 L517 V723 I724 A729 V730 D731R513-E727 WeakPolarHBondContact CB-OE1 3.1Å; R513-E727 IonicContact CZ-OE1 3.07Å; R513-E727 IonicContact CZ-OE2 3.75Å; R513-E727 IonicContact NE-OE1 3.08Å; R513-E727 PolarHBondContact NE-OE1 3.29Å; R513-E727 IonicContact NE-OE2 3.37Å; R513-E727 VanDerWaalsContact NH2-CD 3.31Å; R513-E727 IonicContact NH2-OE1 3.3Å; R513-E727 PolarHBondContact NH2-OE1 2.91Å; R513-E727 IonicContact NH2-OE2 3.91Å; R513-E727 PolarHBondContact NH2-OE2 3.41Å; L517-E727 HydrophobicContact CD1-CG 3.92Å; L517-E727 HydrophobicContact CD2-CG 3.87Å; L517-E727 HydrophobicContact CG-CG 4.08Å; V723-E727 HydrophobicContact CG1-CG 4.28Å; V723-E727 WeakPolarHBondContact O-CG 3.41Å; V723-E727 PolarHBondContact O-N 2.96Å; I724-E727 PolarHBondContact O-N 3.15Å; E727-A729 VanDerWaalsContact C-N 3.33Å; E727-A729 PolarHBondContact O-N 3.05Å; E727-V730 CarbonylContact O-C 3.59Å; E727-V730 PolarHBondContact O-N 3.28Å; E727-V730 VanDerWaalsContact O-N 3.13Å; E727-D731 VanDerWaalsContact O-CB 3.3Å; E727-D731 WeakPolarHBondContact O-CB 3.5Å; E727-D731 PolarHBondContact O-N 3.24Å
728W91.5Very high90Very high42 Ų4242.1 Ų42.116%0.15921%0.206CC..Hα-helixtrans-59.1-44.8175.9-89.699.8000112.1L666 L670 V702 L705 I724 L726 V730 D731 K732L666-W728 HydrophobicContact CD1-CB 4.45Å; L670-W728 HydrophobicContact CD1-CG 4.43Å; L670-W728 HydrophobicContact CD2-CB 4.35Å; L670-W728 HydrophobicContact CD2-CD2 3.81Å; L670-W728 HydrophobicContact CD2-CE3 3.42Å; L670-W728 VanDerWaalsContact CD2-CE3 3.42Å; L670-W728 HydrophobicContact CD2-CG 4.2Å; L670-W728 HydrophobicContact CD2-CZ3 4.09Å; V702-W728 HydrophobicContact CB-CZ2 4.32Å; V702-W728 HydrophobicContact CG2-CH2 3.14Å; V702-W728 HydrophobicContact CG2-CZ2 3.03Å; V702-W728 HydrophobicContact CG2-CZ3 3.96Å; L705-W728 HydrophobicContact CD2-CB 4.35Å; L705-W728 HydrophobicContact CD2-CG 4.03Å; I724-W728 VanDerWaalsContact O-CD1 3.28Å; I724-W728 PolarHBondContact O-N 3.07Å; L726-W728 VanDerWaalsContact C-N 3.35Å; L726-W728 PolarHBondContact O-N 3.29Å; W728-V730 VanDerWaalsContact C-N 3.27Å; W728-V730 PolarHBondContact O-N 3.34Å; W728-D731 PolarHBondContact O-N 2.81Å; W728-K732 VanDerWaalsContact O-CG 3.29Å; W728-K732 WeakPolarHBondContact O-CG 3.35Å; W728-K732 PolarHBondContact O-N 3.23Å
729A92.5Very high89.9Confident0 Ų035.3 Ų35.30%018%0.176CC..Hα-helixtrans-64.2-34177.500000112.4L629 L632 L666 A725 L726 E727 I733L629-A729 HydrophobicContact CD1-CB 3.52Å; L632-A729 HydrophobicContact CB-CB 3.92Å; L632-A729 HydrophobicContact CD1-CB 3.65Å; L632-A729 HydrophobicContact CG-CB 4.45Å; L666-A729 HydrophobicContact CD1-CB 4.39Å; A725-A729 PolarHBondContact O-N 3.25Å; L726-A729 PolarHBondContact O-N 2.76Å; E727-A729 VanDerWaalsContact C-N 3.33Å; E727-A729 PolarHBondContact O-N 3.05Å; A729-I733 WeakPolarHBondContact O-CG1 3.46Å; A729-I733 PolarHBondContact O-N 3.34Å
730V93.3Very high89.7Confident12 Ų1239.9 Ų39.97%0.07320%0.2CC..Hα-helixtrans-71.8-43.8174.1169.70000111.4L517 F520 L632 L726 E727 W728 K732 I733 F734L517-V730 HydrophobicContact CD2-CB 4.39Å; L517-V730 HydrophobicContact CD2-CG2 3.9Å; F520-V730 HydrophobicContact CD1-CG1 4.24Å; F520-V730 HydrophobicContact CD1-CG2 3.81Å; F520-V730 HydrophobicContact CD2-CG1 3.87Å; F520-V730 HydrophobicContact CE1-CG1 4.19Å; F520-V730 HydrophobicContact CE1-CG2 3.79Å; F520-V730 HydrophobicContact CE2-CG1 3.79Å; F520-V730 HydrophobicContact CG-CG1 4.1Å; F520-V730 HydrophobicContact CG-CG2 4.39Å; F520-V730 HydrophobicContact CZ-CG1 3.96Å; F520-V730 HydrophobicContact CZ-CG2 4.32Å; L632-V730 HydrophobicContact CD1-CG2 3.71Å; L632-V730 HydrophobicContact CD2-CG2 4.18Å; L726-V730 WeakPolarHBondContact O-CG2 3.36Å; L726-V730 PolarHBondContact O-N 2.97Å; E727-V730 CarbonylContact O-C 3.59Å; E727-V730 PolarHBondContact O-N 3.28Å; E727-V730 VanDerWaalsContact O-N 3.13Å; W728-V730 VanDerWaalsContact C-N 3.27Å; W728-V730 PolarHBondContact O-N 3.34Å; V730-K732 VanDerWaalsContact C-N 3.31Å; V730-K732 PolarHBondContact O-N 3.17Å; V730-I733 WeakPolarHBondContact O-CA 3.28Å; V730-I733 WeakPolarHBondContact O-CB 3.43Å; V730-I733 PolarHBondContact O-N 3.17Å; V730-F734 HydrophobicContact CG1-CD2 3.88Å; V730-F734 HydrophobicContact CG1-CE2 3.56Å; V730-F734 VanDerWaalsContact O-CD2 3.28Å; V730-F734 WeakPolarHBondContact O-CD2 3.46Å; V730-F734 PolarHBondContact O-N 3.27Å; V730-F734 VanDerWaalsContact O-N 3.15Å
731D90.1Very high89.7Confident77 Ų7741.6 Ų41.641%0.41221%0.211SC..Hα-helixtrans-58.8-43.9178-165.256.4000110.7E727 W728 I733 F734 D735E727-D731 VanDerWaalsContact O-CB 3.3Å; E727-D731 WeakPolarHBondContact O-CB 3.5Å; E727-D731 PolarHBondContact O-N 3.24Å; W728-D731 PolarHBondContact O-N 2.81Å; D731-I733 PolarHBondContact O-N 2.95Å; D731-F734 WeakPolarHBondContact O-CA 3.47Å; D731-F734 WeakPolarHBondContact O-CB 3.46Å; D731-F734 PolarHBondContact O-N 3.21Å; D731-D735 PolarHBondContact O-N 3.01Å
732K88.1Confident89.6Confident16 Ų1640.6 Ų40.67%0.0721%0.206CC..Hα-helixtrans-60.8-28172.8-69-61.7127.7-159.90114V636 E673 W728 V730 D735 L736V636-K732 HydrophobicContact CG1-CB 4.05Å; V636-K732 HydrophobicContact CG2-CB 3.78Å; E673-K732 VanDerWaalsContact CD-CE 3.41Å; E673-K732 WeakPolarHBondContact OE1-CD 3.39Å; E673-K732 WeakPolarHBondContact OE1-CE 3.41Å; E673-K732 IonicContact OE1-NZ 2.77Å; E673-K732 PolarHBondContact OE1-NZ 2.84Å; E673-K732 WeakPolarHBondContact OE2-CE 3.46Å; E673-K732 IonicContact OE2-NZ 3.83Å; E673-K732 PolarHBondContact OE2-NZ 3.16Å; W728-K732 VanDerWaalsContact O-CG 3.29Å; W728-K732 WeakPolarHBondContact O-CG 3.35Å; W728-K732 PolarHBondContact O-N 3.23Å; V730-K732 VanDerWaalsContact C-N 3.31Å; V730-K732 PolarHBondContact O-N 3.17Å; K732-D735 IonicContact NZ-OD2 3.69Å; K732-D735 PolarHBondContact NZ-OD2 3.07Å; K732-L736 WeakPolarHBondContact O-CG 3.42Å
733I89.5Confident89.4Confident0 Ų041.6 Ų41.60%021%0.211CC..Hα-helixtrans-75.5-31.2173.9-70.8179.1000111.1F520 L528 L632 L635 V636 A729 V730 D731 D735 L736 I739F520-I733 HydrophobicContact CZ-CG2 4.46Å; L528-I733 HydrophobicContact CD2-CD1 4.42Å; L632-I733 HydrophobicContact CB-CD1 3.89Å; L632-I733 HydrophobicContact CD2-CD1 3.32Å; L632-I733 HydrophobicContact CG-CD1 4.18Å; L635-I733 HydrophobicContact CB-CD1 4.41Å; L635-I733 HydrophobicContact CD1-CD1 4.28Å; V636-I733 HydrophobicContact CG2-CG1 3.68Å; A729-I733 WeakPolarHBondContact O-CG1 3.46Å; A729-I733 PolarHBondContact O-N 3.34Å; V730-I733 WeakPolarHBondContact O-CA 3.28Å; V730-I733 WeakPolarHBondContact O-CB 3.43Å; V730-I733 PolarHBondContact O-N 3.17Å; D731-I733 PolarHBondContact O-N 2.95Å; I733-D735 VanDerWaalsContact C-N 3.34Å; I733-L736 PolarHBondContact O-N 2.84Å; I733-I739 HydrophobicContact CG2-CD1 3.69Å; I733-I739 HydrophobicContact CG2-CG1 3.53Å
734F86.9Confident89.3Confident106 Ų10646.1 Ų46.147%0.46523%0.233SC..Hα-helixtrans-72.2-27173.1-78.2-76.9000113F520 V730 D731 L736 I739F520-F734 HydrophobicContact CD2-CE2 4.03Å; F520-F734 HydrophobicContact CD2-CZ 4.12Å; F520-F734 AromaticContact CE2-CE2 3.72Å; F520-F734 HydrophobicContact CE2-CE2 3.72Å; F520-F734 AromaticContact CE2-CZ 3.89Å; F520-F734 HydrophobicContact CE2-CZ 3.89Å; V730-F734 HydrophobicContact CG1-CD2 3.88Å; V730-F734 HydrophobicContact CG1-CE2 3.56Å; V730-F734 VanDerWaalsContact O-CD2 3.28Å; V730-F734 WeakPolarHBondContact O-CD2 3.46Å; V730-F734 PolarHBondContact O-N 3.27Å; V730-F734 VanDerWaalsContact O-N 3.15Å; D731-F734 WeakPolarHBondContact O-CA 3.47Å; D731-F734 WeakPolarHBondContact O-CB 3.46Å; D731-F734 PolarHBondContact O-N 3.21Å; F734-L736 PolarHBondContact O-N 2.95Å; F734-I739 HydrophobicContact CD1-CB 4.44Å; F734-I739 HydrophobicContact CD1-CG1 4.31Å; F734-I739 HydrophobicContact CD1-CG2 4.14Å; F734-I739 HydrophobicContact CE1-CG1 4.44Å; F734-I739 HydrophobicContact CE1-CG2 3.87Å
735D84.5Confident89.3Confident102 Ų10245.7 Ų45.755%0.54524%0.235SC..THydrogen-bonded Turntrans-67.8-15170.1-70.5-23.5000112.8D731 K732 I733D731-D735 PolarHBondContact O-N 3.01Å; K732-D735 IonicContact NZ-OD2 3.69Å; K732-D735 PolarHBondContact NZ-OD2 3.07Å; I733-D735 VanDerWaalsContact C-N 3.34Å
736L84.4Confident89.1Confident22 Ų2245.7 Ų45.712%0.11524%0.235CC..SBendtrans-97.6145.2176.7-57.4172.3000110.5D639 K732 I733 F734 L738D639-L736 HydrophobicContact CB-CD2 3.71Å; K732-L736 WeakPolarHBondContact O-CG 3.42Å; I733-L736 PolarHBondContact O-N 2.84Å; F734-L736 PolarHBondContact O-N 2.95Å; L736-L738 HydrophobicContact CB-CB 4.29Å; L736-L738 HydrophobicContact CB-CD1 4.13Å; L736-L738 HydrophobicContact CB-CG 3.94Å; L736-L738 HydrophobicContact CD1-CD1 3.72Å; L736-L738 HydrophobicContact CD1-CG 4.41Å; L736-L738 PolarHBondContact O-N 3.26Å
737D84.1Confident89Confident123 Ų12349.5 Ų49.566%0.65825%0.253SS*.THydrogen-bonded Turntrans-63.5-4.1174.9-64.6-34.4000113.3I739 D740 D741D737-I739 VanDerWaalsContact C-N 3.35Å; D737-I739 PolarHBondContact O-N 3.31Å; D737-D740 PolarHBondContact O-N 3.01Å; D737-D741 VanDerWaalsContact O-CB 3.29Å; D737-D741 WeakPolarHBondContact O-CB 3.4Å; D737-D741 PolarHBondContact O-N 3.08Å
738L85.3Confident88.9Confident57 Ų5753.8 Ų53.830%0.29827%0.267SS..Hα-helixtrans-57.5-41.8-178-65.6178.1000113.2L635 L736 H742L635-L738 HydrophobicContact CB-CD1 4.09Å; L736-L738 HydrophobicContact CB-CB 4.29Å; L736-L738 HydrophobicContact CB-CD1 4.13Å; L736-L738 HydrophobicContact CB-CG 3.94Å; L736-L738 HydrophobicContact CD1-CD1 3.72Å; L736-L738 HydrophobicContact CD1-CG 4.41Å; L736-L738 PolarHBondContact O-N 3.26Å; L738-H742 VanDerWaalsContact O-CB 3.29Å; L738-H742 WeakPolarHBondContact O-CB 3.39Å; L738-H742 PolarHBondContact O-N 3.02Å
739I86.3Confident89Confident4 Ų455.4 Ų55.42%0.02127%0.273CS..Hα-helixtrans-71.5-44.8-178.4-67-73.2000110.3F520 F524 L527 I733 F734 D737 H742 I743F520-I739 HydrophobicContact CE2-CD1 4.1Å; F520-I739 HydrophobicContact CZ-CD1 4.28Å; F524-I739 HydrophobicContact CD1-CD1 3.67Å; F524-I739 HydrophobicContact CD2-CD1 4.5Å; F524-I739 HydrophobicContact CE1-CD1 3.69Å; F524-I739 HydrophobicContact CE1-CG2 3.89Å; F524-I739 HydrophobicContact CG-CD1 4.1Å; F524-I739 HydrophobicContact CZ-CD1 4.12Å; F524-I739 HydrophobicContact CZ-CG2 3.97Å; L527-I739 HydrophobicContact CD2-CD1 3.56Å; L527-I739 HydrophobicContact CD2-CG1 4.42Å; I733-I739 HydrophobicContact CG2-CD1 3.69Å; I733-I739 HydrophobicContact CG2-CG1 3.53Å; F734-I739 HydrophobicContact CD1-CB 4.44Å; F734-I739 HydrophobicContact CD1-CG1 4.31Å; F734-I739 HydrophobicContact CD1-CG2 4.14Å; F734-I739 HydrophobicContact CE1-CG1 4.44Å; F734-I739 HydrophobicContact CE1-CG2 3.87Å; D737-I739 VanDerWaalsContact C-N 3.35Å; D737-I739 PolarHBondContact O-N 3.31Å; I739-H742 PolarHBondContact O-N 3.26Å; I739-I743 HydrophobicContact CG2-CD1 3.76Å; I739-I743 HydrophobicContact CG2-CG1 4.42Å; I739-I743 VanDerWaalsContact O-CG1 3.26Å; I739-I743 WeakPolarHBondContact O-CG1 3.26Å; I739-I743 PolarHBondContact O-N 3.28Å
740D86.9Confident89Confident97 Ų9756 Ų5652%0.51928%0.278SS..Hα-helixtrans-64.9-43.1178.3-78.3-23.7000111.2D737 H742 I743 M744D737-D740 PolarHBondContact O-N 3.01Å; D740-H742 VanDerWaalsContact C-N 3.3Å; D740-H742 PolarHBondContact O-N 3.34Å; D740-I743 PolarHBondContact O-N 3.27Å; D740-M744 WeakPolarHBondContact O-CB 3.43Å; D740-M744 WeakPolarHBondContact O-CG 3.44Å; D740-M744 PolarHBondContact O-N 3.47Å
741D88.8Confident88.9Confident96 Ų9657.6 Ų57.651%0.51329%0.292SS..Hα-helixtrans-59.2-41.3173.3-84.7-20.5000112.1D737 M744 A745D737-D741 VanDerWaalsContact O-CB 3.29Å; D737-D741 WeakPolarHBondContact O-CB 3.4Å; D737-D741 PolarHBondContact O-N 3.08Å; D741-M744 PolarHBondContact O-N 3.07Å; D741-A745 VanDerWaalsContact O-CB 3.23Å; D741-A745 WeakPolarHBondContact O-CB 3.12Å; D741-A745 PolarHBondContact O-N 3.47Å
742H87.9Confident89.1Confident6 Ų657.3 Ų57.33%0.02829%0.291CS..Hα-helixtrans-66.8-44.2176.8-169.774.1000112S526 L527 E530 L738 I739 D740 M744 A745 C746S526-H742 PolarHBondContact OG-CE1 2.99Å; S526-H742 VanDerWaalsContact OG-CE1 3.32Å; S526-H742 PolarHBondContact OG-NE2 2.95Å; L527-H742 HydrophobicContact CD1-CB 4.15Å; L527-H742 HydrophobicContact CD2-CB 4.17Å; E530-H742 IonicContact OE2-CE1 2.74Å; E530-H742 IonicContact OE2-ND1 3.02Å; L738-H742 VanDerWaalsContact O-CB 3.29Å; L738-H742 WeakPolarHBondContact O-CB 3.39Å; L738-H742 PolarHBondContact O-N 3.02Å; I739-H742 PolarHBondContact O-N 3.26Å; D740-H742 VanDerWaalsContact C-N 3.3Å; D740-H742 PolarHBondContact O-N 3.34Å; H742-M744 VanDerWaalsContact C-N 3.34Å; H742-M744 PolarHBondContact O-N 3.48Å; H742-A745 PolarHBondContact O-N 2.83Å; H742-C746 PolarHBondContact O-N 3.13Å; H742-C746 PolarHBondContact O-SG 3.42Å
743I89.7Confident89.4Confident26 Ų2656.6 Ų56.613%0.13329%0.288CS..Hα-helixtrans-59.7-47.5175.6-69.7166.4000109.7I739 D740 A745 C746 Q747 V879 L880I739-I743 HydrophobicContact CG2-CD1 3.76Å; I739-I743 HydrophobicContact CG2-CG1 4.42Å; I739-I743 VanDerWaalsContact O-CG1 3.26Å; I739-I743 WeakPolarHBondContact O-CG1 3.26Å; I739-I743 PolarHBondContact O-N 3.28Å; D740-I743 PolarHBondContact O-N 3.27Å; I743-A745 PolarHBondContact O-N 3.48Å; I743-C746 WeakPolarHBondContact O-CB 3.3Å; I743-C746 PolarHBondContact O-N 3.44Å; I743-Q747 WeakPolarHBondContact O-CG 3.23Å; I743-Q747 PolarHBondContact O-N 3.44Å; I743-V879 HydrophobicContact CB-CG2 4.38Å; I743-V879 HydrophobicContact CG1-CB 4.05Å; I743-V879 HydrophobicContact CG1-CG2 4.04Å; I743-V879 HydrophobicContact CG2-CG2 4.28Å; I743-L880 HydrophobicContact CG2-CD2 4.19Å
744M91.6Very high89.5Confident94 Ų9462.1 Ų62.146%0.46331%0.309SS..Hα-helixtrans-62.9-40.6177.3-69-64.8176.200111.6D740 D741 H742 Q747 R748D740-M744 WeakPolarHBondContact O-CB 3.43Å; D740-M744 WeakPolarHBondContact O-CG 3.44Å; D740-M744 PolarHBondContact O-N 3.47Å; D741-M744 PolarHBondContact O-N 3.07Å; H742-M744 VanDerWaalsContact C-N 3.34Å; H742-M744 PolarHBondContact O-N 3.48Å; M744-Q747 PolarHBondContact O-N 3.16Å; M744-R748 WeakPolarHBondContact O-CB 3.43Å; M744-R748 WeakPolarHBondContact O-CG 3.41Å; M744-R748 PolarHBondContact O-N 3.44Å
745A90.6Very high89.9Confident26 Ų2663.1 Ų63.122%0.21532%0.315CS..Hα-helixtrans-63.7-41175.400000112.3D741 H742 I743 R748 R749D741-A745 VanDerWaalsContact O-CB 3.23Å; D741-A745 WeakPolarHBondContact O-CB 3.12Å; D741-A745 PolarHBondContact O-N 3.47Å; H742-A745 PolarHBondContact O-N 2.83Å; I743-A745 PolarHBondContact O-N 3.48Å; A745-R748 PolarHBondContact O-N 3.41Å; A745-R749 WeakPolarHBondContact O-CG 3.47Å; A745-R749 PolarHBondContact O-N 3.04Å; A745-R749 PolarHBondContact O-NE 3.04Å
746C90.3Very high90.2Very high0 Ų065 Ų650%031%0.314CS..Hα-helixtrans-61.1-45.8173-66.10000111.4H742 I743 R749 A750 E875 A876 V879H742-C746 PolarHBondContact O-N 3.13Å; H742-C746 PolarHBondContact O-SG 3.42Å; I743-C746 WeakPolarHBondContact O-CB 3.3Å; I743-C746 PolarHBondContact O-N 3.44Å; C746-R749 PolarHBondContact O-N 2.83Å; C746-R749 PolarHBondContact SG-NH2 2.99Å; C746-A750 PolarHBondContact O-N 3.14Å; C746-E875 HydrophobicContact CB-CG 4.5Å; C746-A876 HydrophobicContact CB-CB 4.38Å; C746-V879 HydrophobicContact CB-CG2 4Å
747Q92.3Very high90.5Very high82 Ų8265.9 Ų65.938%0.38332%0.317SS..Hα-helixtrans-63.3-42.9177.6-69.9179.51100112.3I743 M744 A750 A751 A876I743-Q747 WeakPolarHBondContact O-CG 3.23Å; I743-Q747 PolarHBondContact O-N 3.44Å; M744-Q747 PolarHBondContact O-N 3.16Å; Q747-A750 WeakPolarHBondContact O-CB 3.35Å; Q747-A750 PolarHBondContact O-N 3.46Å; Q747-A751 PolarHBondContact O-N 3.15Å; Q747-A876 HydrophobicContact CG-CB 4.44Å
748R93.2Very high90.9Very high142 Ų14262.3 Ų62.354%0.53630%0.298SS..Hα-helixtrans-59.1-47.7174.3-75.1-173.7-68.1-110.82.6111.5M744 A745 A750 A751 D752M744-R748 WeakPolarHBondContact O-CB 3.43Å; M744-R748 WeakPolarHBondContact O-CG 3.41Å; M744-R748 PolarHBondContact O-N 3.44Å; A745-R748 PolarHBondContact O-N 3.41Å; R748-A750 VanDerWaalsContact C-N 3.29Å; R748-A750 PolarHBondContact O-N 3.36Å; R748-A751 WeakPolarHBondContact O-CB 3.31Å; R748-A751 PolarHBondContact O-N 2.69Å; R748-A751 VanDerWaalsContact O-N 3.11Å; R748-D752 PolarHBondContact O-N 3.22Å
749R92.4Very high91.1Very high75 Ų7563.8 Ų63.828%0.28330%0.303SS..Hα-helixtrans-60.6-36.6177-72.8-178.4-71.8143.30.7112.5A745 C746 A753 E875A745-R749 WeakPolarHBondContact O-CG 3.47Å; A745-R749 PolarHBondContact O-N 3.04Å; A745-R749 PolarHBondContact O-NE 3.04Å; C746-R749 PolarHBondContact O-N 2.83Å; C746-R749 PolarHBondContact SG-NH2 2.99Å; R749-A753 WeakPolarHBondContact O-CB 3.34Å; R749-A753 PolarHBondContact O-N 3.45Å; R749-A753 VanDerWaalsContact O-N 3.09Å; R749-E875 IonicContact CZ-OE1 2.66Å; R749-E875 IonicContact CZ-OE2 2.76Å; R749-E875 VanDerWaalsContact NH1-CD 3.26Å; R749-E875 IonicContact NH1-OE1 2.77Å; R749-E875 PolarHBondContact NH1-OE1 2.85Å; R749-E875 IonicContact NH1-OE2 3.09Å; R749-E875 PolarHBondContact NH1-OE2 3.47Å; R749-E875 VanDerWaalsContact NH1-OE2 3.15Å; R749-E875 IonicContact NH2-OE1 3.8Å; R749-E875 PolarHBondContact NH2-OE1 3.35Å; R749-E875 IonicContact NH2-OE2 3.43Å
750A92.1Very high91.3Very high12 Ų1265.6 Ų65.610%0.09931%0.314CS..Hα-helixtrans-67.7-41.9173.600000112.7C746 Q747 R748 A753 W754 R872 A876C746-A750 PolarHBondContact O-N 3.14Å; Q747-A750 WeakPolarHBondContact O-CB 3.35Å; Q747-A750 PolarHBondContact O-N 3.46Å; R748-A750 VanDerWaalsContact C-N 3.29Å; R748-A750 PolarHBondContact O-N 3.36Å; A750-A753 PolarHBondContact O-N 3.19Å; A750-W754 WeakPolarHBondContact O-CB 3.4Å; A750-W754 PolarHBondContact O-N 3.36Å; A750-R872 HydrophobicContact CB-CB 4.22Å; A750-R872 WeakPolarHBondContact CB-O 3.16Å; A750-A876 HydrophobicContact CB-CB 3.84Å
751A92.7Very high91.4Very high46 Ų4664.4 Ų64.438%0.3831%0.307SS..Hα-helixtrans-64.1-42.7176.100000111.8Q747 R748 W754 Q755Q747-A751 PolarHBondContact O-N 3.15Å; R748-A751 WeakPolarHBondContact O-CB 3.31Å; R748-A751 PolarHBondContact O-N 2.69Å; R748-A751 VanDerWaalsContact O-N 3.11Å; A751-W754 WeakPolarHBondContact O-CB 3.25Å; A751-W754 PolarHBondContact O-N 3.45Å; A751-Q755 WeakPolarHBondContact O-CG 3.31Å; A751-Q755 PolarHBondContact O-N 3.04Å
752D94.3Very high91.4Very high71 Ų7167 Ų6738%0.3831%0.31SS..Hα-helixtrans-64.4-44.3177.1-71.5-12.3000111.8R748 W754 Q755 R756R748-D752 PolarHBondContact O-N 3.22Å; D752-W754 VanDerWaalsContact C-N 3.27Å; D752-W754 PolarHBondContact O-N 3.29Å; D752-Q755 PolarHBondContact O-N 3.01Å; D752-R756 WeakPolarHBondContact O-CG 3.37Å; D752-R756 PolarHBondContact O-N 3.41Å
753A93.1Very high91.4Very high1 Ų169.8 Ų69.81%0.00833%0.325CS..Hα-helixtrans-61.9-37.8175.700000111.6R749 A750 K757 L868 Y869 R872R749-A753 WeakPolarHBondContact O-CB 3.34Å; R749-A753 PolarHBondContact O-N 3.45Å; R749-A753 VanDerWaalsContact O-N 3.09Å; A750-A753 PolarHBondContact O-N 3.19Å; A753-K757 WeakPolarHBondContact O-CB 3.46Å; A753-K757 PolarHBondContact O-N 3.28Å; A753-L868 HydrophobicContact CB-CG 4.38Å; A753-Y869 HydrophobicContact CB-CD2 4.45Å; A753-R872 HydrophobicContact CB-CB 4.12Å; A753-R872 HydrophobicContact CB-CG 4.09Å
754W93.1Very high91.2Very high116 Ų11671.4 Ų71.444%0.43933%0.331SS..Hα-helixtrans-64.5-45.7173.4177.3-114.6000112.4A750 A751 D752 R756 K757 I758 Y869A750-W754 WeakPolarHBondContact O-CB 3.4Å; A750-W754 PolarHBondContact O-N 3.36Å; A751-W754 WeakPolarHBondContact O-CB 3.25Å; A751-W754 PolarHBondContact O-N 3.45Å; D752-W754 VanDerWaalsContact C-N 3.27Å; D752-W754 PolarHBondContact O-N 3.29Å; W754-R756 VanDerWaalsContact C-N 3.35Å; W754-R756 PolarHBondContact O-N 3.13Å; W754-K757 HydrophobicContact CE3-CD 4.28Å; W754-K757 HydrophobicContact CZ3-CD 4.29Å; W754-K757 WeakPolarHBondContact O-CB 3.46Å; W754-K757 PolarHBondContact O-N 3.42Å; W754-K757 VanDerWaalsContact O-N 3.15Å; W754-I758 HydrophobicContact CD2-CD1 4.22Å; W754-I758 HydrophobicContact CD2-CG1 4.4Å; W754-I758 VanDerWaalsContact CE2-CD1 3.47Å; W754-I758 HydrophobicContact CG-CD1 4.42Å; W754-I758 HydrophobicContact CZ2-CD1 3.81Å; W754-I758 HydrophobicContact CZ2-CG1 4.18Å; W754-I758 PolarHBondContact O-N 3.29Å; W754-Y869 HydrophobicContact CB-CD2 3.72Å; W754-Y869 HydrophobicContact CB-CE2 3.64Å; W754-Y869 HydrophobicContact CD2-CE2 4.13Å; W754-Y869 HydrophobicContact CE3-CD1 4.3Å; W754-Y869 HydrophobicContact CE3-CD2 4.01Å; W754-Y869 AromaticContact CE3-CE1 3.93Å; W754-Y869 HydrophobicContact CE3-CE1 3.93Å; W754-Y869 AromaticContact CE3-CE2 3.64Å; W754-Y869 HydrophobicContact CE3-CE2 3.64Å; W754-Y869 HydrophobicContact CE3-CG 4.3Å; W754-Y869 AromaticContact CE3-CZ 3.57Å; W754-Y869 HydrophobicContact CG-CE2 4.17Å; W754-Y869 HydrophobicContact CZ3-CE1 4.17Å
755Q94.1Very high90.9Very high127 Ų12771.8 Ų71.859%0.59334%0.335SS*.Hα-helixtrans-61.2-42.8176.6-74-177.91.900111.6A751 D752 K757 I758 Q759A751-Q755 WeakPolarHBondContact O-CG 3.31Å; A751-Q755 PolarHBondContact O-N 3.04Å; D752-Q755 PolarHBondContact O-N 3.01Å; Q755-K757 VanDerWaalsContact C-N 3.33Å; Q755-K757 PolarHBondContact O-N 3.42Å; Q755-I758 PolarHBondContact O-N 2.79Å; Q755-Q759 WeakPolarHBondContact O-CB 3.2Å; Q755-Q759 PolarHBondContact O-N 3.4Å
756R91.4Very high90.7Very high141 Ų14174.9 Ų74.953%0.53235%0.348SS..Hα-helixtrans-60.2-41.8173.3-69.8176.9-165.7152.66.7111.6D752 W754 Q759 V760 V865D752-R756 WeakPolarHBondContact O-CG 3.37Å; D752-R756 PolarHBondContact O-N 3.41Å; W754-R756 VanDerWaalsContact C-N 3.35Å; W754-R756 PolarHBondContact O-N 3.13Å; R756-Q759 PolarHBondContact O-N 3.12Å; R756-V760 WeakPolarHBondContact O-CG2 3.48Å; R756-V760 PolarHBondContact O-N 2.8Å; R756-V865 HydrophobicContact CB-CG1 3.98Å
757K91.2Very high90.1Very high42 Ų4281.2 Ų81.218%0.18337%0.371CS..Hα-helixtrans-61.2-46.3176.1-171.4172.8178.2167.20111.3A753 W754 Q755 Q759 L761 V865 S866 Y869A753-K757 WeakPolarHBondContact O-CB 3.46Å; A753-K757 PolarHBondContact O-N 3.28Å; W754-K757 HydrophobicContact CE3-CD 4.28Å; W754-K757 HydrophobicContact CZ3-CD 4.29Å; W754-K757 WeakPolarHBondContact O-CB 3.46Å; W754-K757 PolarHBondContact O-N 3.42Å; W754-K757 VanDerWaalsContact O-N 3.15Å; Q755-K757 VanDerWaalsContact C-N 3.33Å; Q755-K757 PolarHBondContact O-N 3.42Å; K757-Q759 VanDerWaalsContact C-N 3.34Å; K757-Q759 PolarHBondContact O-N 3.36Å; K757-L761 HydrophobicContact CG-CD1 4.34Å; K757-L761 VanDerWaalsContact O-CG 3.25Å; K757-L761 WeakPolarHBondContact O-CG 3.49Å; K757-L761 PolarHBondContact O-N 3.38Å; K757-L761 VanDerWaalsContact O-N 3.14Å; K757-V865 HydrophobicContact CB-CG1 3.74Å; K757-V865 HydrophobicContact CG-CG1 4.43Å; K757-V865 VanDerWaalsContact N-CG1 3.28Å; K757-S866 PolarHBondContact NZ-OG 3.5Å; K757-Y869 HydrophobicContact CD-CD1 4.14Å; K757-Y869 HydrophobicContact CD-CG 4.2Å
758I91.5Very high89.7Confident47 Ų4783.3 Ų83.324%0.24138%0.379CS..Hα-helixtrans-61.1-43.8175.1-72.2178.8000110.8W754 Q755 L761 R762W754-I758 HydrophobicContact CD2-CD1 4.22Å; W754-I758 HydrophobicContact CD2-CG1 4.4Å; W754-I758 VanDerWaalsContact CE2-CD1 3.47Å; W754-I758 HydrophobicContact CG-CD1 4.42Å; W754-I758 HydrophobicContact CZ2-CD1 3.81Å; W754-I758 HydrophobicContact CZ2-CG1 4.18Å; W754-I758 PolarHBondContact O-N 3.29Å; Q755-I758 PolarHBondContact O-N 2.79Å; I758-L761 PolarHBondContact O-N 3.12Å; I758-R762 HydrophobicContact CG2-CG 4.17Å; I758-R762 WeakPolarHBondContact O-CG 3.45Å; I758-R762 PolarHBondContact O-N 3.16Å
759Q90.3Very high89.3Confident89 Ų8982.2 Ų82.242%0.41638%0.378SS..Hα-helixtrans-61.4-49-178.5-174.458.730.100111.6Q755 R756 K757 L761 R762 D763Q755-Q759 WeakPolarHBondContact O-CB 3.2Å; Q755-Q759 PolarHBondContact O-N 3.4Å; R756-Q759 PolarHBondContact O-N 3.12Å; K757-Q759 VanDerWaalsContact C-N 3.34Å; K757-Q759 PolarHBondContact O-N 3.36Å; Q759-L761 VanDerWaalsContact C-N 3.27Å; Q759-L761 PolarHBondContact O-N 2.67Å; Q759-R762 WeakPolarHBondContact O-CB 3.12Å; Q759-R762 PolarHBondContact O-N 3.36Å; Q759-D763 PolarHBondContact NE2-OD1 3.49Å; Q759-D763 PolarHBondContact NE2-OD2 2.9Å; Q759-D763 PolarHBondContact O-N 3.46Å
760V90.4Very high88.8Confident41 Ų4182.5 Ų82.525%0.24839%0.386CS..Hα-helixtrans-60-38.7176.4174.60000111.5R756 K764 I862 V865R756-V760 WeakPolarHBondContact O-CG2 3.48Å; R756-V760 PolarHBondContact O-N 2.8Å; V760-K764 WeakPolarHBondContact O-CB 3.41Å; V760-K764 PolarHBondContact O-N 2.99Å; V760-I862 HydrophobicContact CG1-CG1 3.59Å; V760-V865 HydrophobicContact CG2-CG2 4.16Å
761L88.5Confident88.2Confident72 Ų7287.9 Ų87.938%0.37741%0.407SS..Hα-helixtrans-68.3-36175.6-69.5172.2000112.5K757 I758 Q759 N765K757-L761 HydrophobicContact CG-CD1 4.34Å; K757-L761 VanDerWaalsContact O-CG 3.25Å; K757-L761 WeakPolarHBondContact O-CG 3.49Å; K757-L761 PolarHBondContact O-N 3.38Å; K757-L761 VanDerWaalsContact O-N 3.14Å; I758-L761 PolarHBondContact O-N 3.12Å; Q759-L761 VanDerWaalsContact C-N 3.27Å; Q759-L761 PolarHBondContact O-N 2.67Å; L761-N765 VanDerWaalsContact O-CG 3.23Å; L761-N765 PolarHBondContact O-N 3.23Å; L761-N765 VanDerWaalsContact O-N 3.15Å; L761-N765 PolarHBondContact O-ND2 2.82Å
762R89.4Confident87.6Confident151 Ų15192.3 Ų92.357%0.5742%0.417SS*.Hα-helixtrans-66.9-46174.4-75.9176.7179.6176.30.6111.2I758 Q759 K764 N765 L766I758-R762 HydrophobicContact CG2-CG 4.17Å; I758-R762 WeakPolarHBondContact O-CG 3.45Å; I758-R762 PolarHBondContact O-N 3.16Å; Q759-R762 WeakPolarHBondContact O-CB 3.12Å; Q759-R762 PolarHBondContact O-N 3.36Å; R762-K764 VanDerWaalsContact C-N 3.32Å; R762-K764 PolarHBondContact O-N 2.72Å; R762-N765 CarbonylContact O-C 3.56Å; R762-N765 WeakPolarHBondContact O-CA 3.31Å; R762-N765 WeakPolarHBondContact O-CB 3.47Å; R762-N765 PolarHBondContact O-N 3.04Å; R762-L766 PolarHBondContact O-N 2.79Å
763D87.1Confident87Confident64 Ų6492.3 Ų92.334%0.34242%0.417SS..Hα-helixtrans-61.9-41.1178.6-67.1-19000111.4Q759 N765 L766 R767Q759-D763 PolarHBondContact NE2-OD1 3.49Å; Q759-D763 PolarHBondContact NE2-OD2 2.9Å; Q759-D763 PolarHBondContact O-N 3.46Å; D763-N765 VanDerWaalsContact C-N 3.3Å; D763-N765 PolarHBondContact O-N 3.15Å; D763-L766 PolarHBondContact O-N 2.99Å; D763-R767 WeakPolarHBondContact O-CG 3.2Å; D763-R767 PolarHBondContact O-N 3.5Å
764K85.2Confident86.3Confident60 Ų6097.1 Ų97.126%0.26144%0.443SS..Hα-helixtrans-59.2-41.6171.9-172.1-179.9-160.2161.20112.2V760 R762 K768 I862V760-K764 WeakPolarHBondContact O-CB 3.41Å; V760-K764 PolarHBondContact O-N 2.99Å; R762-K764 VanDerWaalsContact C-N 3.32Å; R762-K764 PolarHBondContact O-N 2.72Å; K764-K768 WeakPolarHBondContact O-CG 3.48Å; K764-K768 PolarHBondContact O-N 3.17Å; K764-K768 VanDerWaalsContact O-N 3.13Å; K764-I862 HydrophobicContact CD-CD1 3.7Å; K764-I862 VanDerWaalsContact NZ-CD1 3.26Å
765N85.5Confident85.4Confident103 Ų10394 Ų9455%0.55144%0.442SS*.Hα-helixtrans-71.3-37.1179.6-72.5-33.5000112.3L761 R762 D763 K768 K769L761-N765 VanDerWaalsContact O-CG 3.23Å; L761-N765 PolarHBondContact O-N 3.23Å; L761-N765 VanDerWaalsContact O-N 3.15Å; L761-N765 PolarHBondContact O-ND2 2.82Å; R762-N765 CarbonylContact O-C 3.56Å; R762-N765 WeakPolarHBondContact O-CA 3.31Å; R762-N765 WeakPolarHBondContact O-CB 3.47Å; R762-N765 PolarHBondContact O-N 3.04Å; D763-N765 VanDerWaalsContact C-N 3.3Å; D763-N765 PolarHBondContact O-N 3.15Å; N765-K768 PolarHBondContact O-N 3.36Å; N765-K769 PolarHBondContact O-N 2.68Å
766L86.1Confident84.6Confident91 Ų9191 Ų9148%0.47643%0.43SS..Hα-helixtrans-63.2-49.4173.6-75.3167.7000110.9R762 D763 K768 K769 D770R762-L766 PolarHBondContact O-N 2.79Å; D763-L766 PolarHBondContact O-N 2.99Å; L766-K768 VanDerWaalsContact C-N 3.28Å; L766-K768 PolarHBondContact O-N 3.24Å; L766-K769 CarbonylContact O-C 3.57Å; L766-K769 WeakPolarHBondContact O-CA 3.48Å; L766-K769 VanDerWaalsContact O-CB 3.25Å; L766-K769 WeakPolarHBondContact O-CB 3.18Å; L766-K769 PolarHBondContact O-N 2.88Å; L766-D770 VanDerWaalsContact O-CG 3.32Å; L766-D770 PolarHBondContact O-N 3.09Å
767R79.2Confident83.8Confident133 Ų13390.2 Ų90.250%0.50243%0.432SS..Hα-helixtrans-58.3-38.8175.7-71.6178.6179.9-1771113.1D763 K769 D770 K771 E858D763-R767 WeakPolarHBondContact O-CG 3.2Å; D763-R767 PolarHBondContact O-N 3.5Å; R767-K769 VanDerWaalsContact C-N 3.28Å; R767-K769 PolarHBondContact O-N 2.95Å; R767-D770 PolarHBondContact O-N 3.46Å; R767-K771 WeakPolarHBondContact O-CB 3.35Å; R767-K771 VanDerWaalsContact O-CG 3.31Å; R767-K771 WeakPolarHBondContact O-CG 3.25Å; R767-K771 PolarHBondContact O-N 3.02Å; R767-E858 WeakPolarHBondContact CD-OE1 3.36Å; R767-E858 IonicContact CZ-OE1 2.95Å; R767-E858 IonicContact NH1-OE1 3.54Å; R767-E858 PolarHBondContact NH1-OE1 2.99Å
768K83Confident82.8Confident125 Ų12590.5 Ų90.554%0.54344%0.443SS..Hα-helixtrans-65.7-32.5174.3-76.9179178.7-173.60112.5K764 N765 L766 K772K764-K768 WeakPolarHBondContact O-CG 3.48Å; K764-K768 PolarHBondContact O-N 3.17Å; K764-K768 VanDerWaalsContact O-N 3.13Å; N765-K768 PolarHBondContact O-N 3.36Å; L766-K768 VanDerWaalsContact C-N 3.28Å; L766-K768 PolarHBondContact O-N 3.24Å; K768-K772 WeakPolarHBondContact O-CB 3.37Å; K768-K772 PolarHBondContact O-N 3.47Å
769K84.6Confident81.7Confident120 Ų12093.6 Ų93.652%0.52246%0.46SS..Hα-helixtrans-71.2-47.5173.7-172.5-173.1171.7-167.60110.6N765 L766 R767 K771 K772 D773N765-K769 PolarHBondContact O-N 2.68Å; L766-K769 CarbonylContact O-C 3.57Å; L766-K769 WeakPolarHBondContact O-CA 3.48Å; L766-K769 VanDerWaalsContact O-CB 3.25Å; L766-K769 WeakPolarHBondContact O-CB 3.18Å; L766-K769 PolarHBondContact O-N 2.88Å; R767-K769 VanDerWaalsContact C-N 3.28Å; R767-K769 PolarHBondContact O-N 2.95Å; K769-K771 PolarHBondContact O-N 2.96Å; K769-K772 CarbonylContact O-C 3.34Å; K769-K772 WeakPolarHBondContact O-CA 3.35Å; K769-K772 VanDerWaalsContact O-CB 3.3Å; K769-K772 WeakPolarHBondContact O-CB 3.31Å; K769-K772 PolarHBondContact O-N 3.09Å; K769-D773 PolarHBondContact O-N 3.01Å
770D81.7Confident80.5Confident81 Ų8196.6 Ų96.643%0.43347%0.472SS..Hα-helixtrans-62.8-41.5179.4-59-21.2000111.7L766 R767 K772 D773 N774L766-D770 VanDerWaalsContact O-CG 3.32Å; L766-D770 PolarHBondContact O-N 3.09Å; R767-D770 PolarHBondContact O-N 3.46Å; D770-K772 PolarHBondContact O-N 3.2Å; D770-D773 PolarHBondContact O-N 3.32Å; D770-N774 VanDerWaalsContact O-CB 3.32Å; D770-N774 WeakPolarHBondContact O-CB 3.5Å; D770-N774 VanDerWaalsContact O-CG 3.23Å; D770-N774 PolarHBondContact O-N 3.26Å
771K80.3Confident79.1Confident125 Ų12598.4 Ų98.454%0.54348%0.483SS..Hα-helixtrans-58.1-37.7171.9-76-179.1179.9-173.60112R767 K769 A775R767-K771 WeakPolarHBondContact O-CB 3.35Å; R767-K771 VanDerWaalsContact O-CG 3.31Å; R767-K771 WeakPolarHBondContact O-CG 3.25Å; R767-K771 PolarHBondContact O-N 3.02Å; K769-K771 PolarHBondContact O-N 2.96Å; K771-A775 VanDerWaalsContact O-CB 3.3Å; K771-A775 WeakPolarHBondContact O-CB 3.45Å; K771-A775 PolarHBondContact O-N 3.48Å; K771-A775 VanDerWaalsContact O-N 3.11Å
772K79.9Confident77.5Confident138 Ų13899.4 Ų99.460%0.649%0.492SS*.Hα-helixtrans-73-39.3178.1-172.2-176.5176.4-171.30111.8K768 K769 D770 N776K768-K772 WeakPolarHBondContact O-CB 3.37Å; K768-K772 PolarHBondContact O-N 3.47Å; K769-K772 CarbonylContact O-C 3.34Å; K769-K772 WeakPolarHBondContact O-CA 3.35Å; K769-K772 VanDerWaalsContact O-CB 3.3Å; K769-K772 WeakPolarHBondContact O-CB 3.31Å; K769-K772 PolarHBondContact O-N 3.09Å; D770-K772 PolarHBondContact O-N 3.2Å; K772-N776 PolarHBondContact O-N 3.36Å; K772-N776 VanDerWaalsContact O-N 3.08Å; K772-N776 PolarHBondContact O-ND2 3.15Å
773D81.3Confident75.7Confident71 Ų7194.9 Ų94.938%0.3848%0.479SS..Hα-helixtrans-71.6-42.2180-67.4-16.8000110.6K769 D770 A775 N776 E777K769-D773 PolarHBondContact O-N 3.01Å; D770-D773 PolarHBondContact O-N 3.32Å; D773-A775 PolarHBondContact O-N 3Å; D773-N776 WeakPolarHBondContact O-CB 3.38Å; D773-N776 PolarHBondContact O-N 3.03Å; D773-N776 VanDerWaalsContact O-N 3.12Å; D773-E777 PolarHBondContact O-N 3.37Å
774N78.5Confident73.8Confident102 Ų10296.5 Ų96.555%0.54549%0.487SS..Hα-helixtrans-62.4-40.4172.7-70.6-7.4000112.4D770 N776 E777 A778D770-N774 VanDerWaalsContact O-CB 3.32Å; D770-N774 WeakPolarHBondContact O-CB 3.5Å; D770-N774 VanDerWaalsContact O-CG 3.23Å; D770-N774 PolarHBondContact O-N 3.26Å; N774-N776 VanDerWaalsContact C-N 3.28Å; N774-N776 PolarHBondContact O-N 3Å; N774-E777 PolarHBondContact O-N 3.46Å; N774-A778 WeakPolarHBondContact O-CB 3.46Å; N774-A778 PolarHBondContact O-N 3.28Å
775A75Confident72Confident51 Ų5199.4 Ų99.442%0.42151%0.506SS..Hα-helixtrans-63.6-35.9174.400000111.9K771 D773 N779K771-A775 VanDerWaalsContact O-CB 3.3Å; K771-A775 WeakPolarHBondContact O-CB 3.45Å; K771-A775 PolarHBondContact O-N 3.48Å; K771-A775 VanDerWaalsContact O-N 3.11Å; D773-A775 PolarHBondContact O-N 3Å; A775-N779 VanDerWaalsContact O-CG 3.27Å; A775-N779 PolarHBondContact O-N 3.19Å; A775-N779 PolarHBondContact O-ND2 3.4Å
776N75.8Confident70.1Confident63 Ų6397 Ų9734%0.33749%0.493SS..Hα-helixtrans-70.5-37.6174.2-70-23000112.2K772 D773 N774 N779 K780K772-N776 PolarHBondContact O-N 3.36Å; K772-N776 VanDerWaalsContact O-N 3.08Å; K772-N776 PolarHBondContact O-ND2 3.15Å; D773-N776 WeakPolarHBondContact O-CB 3.38Å; D773-N776 PolarHBondContact O-N 3.03Å; D773-N776 VanDerWaalsContact O-N 3.12Å; N774-N776 VanDerWaalsContact C-N 3.28Å; N774-N776 PolarHBondContact O-N 3Å; N776-N779 PolarHBondContact O-N 3.3Å; N776-K780 PolarHBondContact O-N 3.48Å; N776-K780 VanDerWaalsContact O-N 3.11Å
777E75.7Confident68.1Low125 Ų12596.7 Ų96.758%0.58449%0.491SS*.Hα-helixtrans-71.7-41.5179.7-163.4169.7-161.300112.1D773 N774 N779 K780 T781D773-E777 PolarHBondContact O-N 3.37Å; N774-E777 PolarHBondContact O-N 3.46Å; E777-N779 VanDerWaalsContact C-N 3.28Å; E777-N779 PolarHBondContact O-N 3.47Å; E777-K780 WeakPolarHBondContact O-CA 3.23Å; E777-K780 WeakPolarHBondContact O-CB 3.49Å; E777-K780 PolarHBondContact O-N 3.37Å; E777-T781 PolarHBondContact O-N 2.73Å; E777-T781 PolarHBondContact O-OG1 3.45Å; E777-T781 VanDerWaalsContact O-OG1 3.13Å
778A69.7Low65.9Low49 Ų4994.5 Ų94.541%0.40550%0.496SS..Hα-helixtrans-59.5-38.4171.900000112.1N774 K780 T781 T782N774-A778 WeakPolarHBondContact O-CB 3.46Å; N774-A778 PolarHBondContact O-N 3.28Å; A778-K780 VanDerWaalsContact C-N 3.31Å; A778-K780 PolarHBondContact O-N 2.96Å; A778-T781 WeakPolarHBondContact CA-OG1 3.2Å; A778-T781 PolarHBondContact O-OG1 2.93Å; A778-T782 WeakPolarHBondContact O-CB 3.48Å; A778-T782 PolarHBondContact O-N 2.97Å; A778-T782 VanDerWaalsContact O-N 3.1Å; A778-T782 PolarHBondContact O-OG1 3.15Å
779N68.2Low63.4Low112 Ų11293.4 Ų93.460%0.59950%0.497SS*.Hα-helixtrans-66.6-31.3173.2-76-21.6000112.5A775 N776 E777 N783A775-N779 VanDerWaalsContact O-CG 3.27Å; A775-N779 PolarHBondContact O-N 3.19Å; A775-N779 PolarHBondContact O-ND2 3.4Å; N776-N779 PolarHBondContact O-N 3.3Å; E777-N779 VanDerWaalsContact C-N 3.28Å; E777-N779 PolarHBondContact O-N 3.47Å; N779-N783 PolarHBondContact O-N 2.85Å
780K65.6Low60.9Low152 Ų15294.5 Ų94.566%0.66151%0.508SS*.Hα-helixtrans-72-46.9174.5-78.9-176.6175.8-175.50112.7N776 E777 A778 T782 N783 N784N776-K780 PolarHBondContact O-N 3.48Å; N776-K780 VanDerWaalsContact O-N 3.11Å; E777-K780 WeakPolarHBondContact O-CA 3.23Å; E777-K780 WeakPolarHBondContact O-CB 3.49Å; E777-K780 PolarHBondContact O-N 3.37Å; A778-K780 VanDerWaalsContact C-N 3.31Å; A778-K780 PolarHBondContact O-N 2.96Å; K780-T782 VanDerWaalsContact C-N 3.33Å; K780-T782 PolarHBondContact O-N 3.21Å; K780-N783 WeakPolarHBondContact O-CB 3.38Å; K780-N783 PolarHBondContact O-N 3.25Å; K780-N783 VanDerWaalsContact O-N 3.09Å; K780-N784 PolarHBondContact O-N 2.56Å
781T60.8Low58.5Low79 Ų7998 Ų9849%0.48553%0.525SS..Hα-helixtrans-65-36.2179.136.70000112.5E777 A778 N783 N784 N785E777-T781 PolarHBondContact O-N 2.73Å; E777-T781 PolarHBondContact O-OG1 3.45Å; E777-T781 VanDerWaalsContact O-OG1 3.13Å; A778-T781 WeakPolarHBondContact CA-OG1 3.2Å; A778-T781 PolarHBondContact O-OG1 2.93Å; T781-N783 PolarHBondContact O-N 2.71Å; T781-N784 PolarHBondContact O-N 3.49Å; T781-N785 PolarHBondContact O-N 2.7Å
782T55.6Low56Low92 Ų9297.3 Ų97.356%0.56454%0.536SS*.Hα-helixtrans-64.3-30.9173.3-45.80000111.9A778 K780A778-T782 WeakPolarHBondContact O-CB 3.48Å; A778-T782 PolarHBondContact O-N 2.97Å; A778-T782 VanDerWaalsContact O-N 3.1Å; A778-T782 PolarHBondContact O-OG1 3.15Å; K780-T782 VanDerWaalsContact C-N 3.33Å; K780-T782 PolarHBondContact O-N 3.21Å
783N50.2Low53.6Low56 Ų5695 Ų9530%0.29954%0.543SS..Hα-helixtrans-75.3-35.1173.4-107.8-3.9000112.8N779 K780 T781N779-N783 PolarHBondContact O-N 2.85Å; K780-N783 WeakPolarHBondContact O-CB 3.38Å; K780-N783 PolarHBondContact O-N 3.25Å; K780-N783 VanDerWaalsContact O-N 3.09Å; T781-N783 PolarHBondContact O-N 2.71Å
784N47.9Very low51.1Low98 Ų9899 Ų9952%0.52457%0.565SS.*Hα-helixtrans-77.3-34.5-178.8-81.96.8000113.9K780 T781 N786 L787K780-N784 PolarHBondContact O-N 2.56Å; T781-N784 PolarHBondContact O-N 3.49Å; N784-N786 PolarHBondContact O-N 3.06Å; N784-N786 VanDerWaalsContact O-N 3.15Å; N784-L787 PolarHBondContact O-N 2.9Å
785N47.6Very low48.9Very low121 Ų121102.9 Ų102.965%0.64758%0.579SS**THydrogen-bonded Turntrans-68.4-11.1175.5-79.8-0.5000113.4T781T781-N785 PolarHBondContact O-N 2.7Å
786N45.4Very low46.7Very low53 Ų53109 Ų10928%0.28360%0.604SS.*THydrogen-bonded Turntrans-85.3-5.1170.3-81.3-28.6000113.8K349 K350 N784K349-N786 HydrophobicContact CG-CB 4.49Å; K350-N786 HydrophobicContact CB-CB 4.32Å; K350-N786 PolarHBondContact O-ND2 2.96Å; N784-N786 PolarHBondContact O-N 3.06Å; N784-N786 VanDerWaalsContact O-N 3.15Å
787L43Very low44.5Very low84 Ų84112.8 Ų112.844%0.4462%0.624SS.*THydrogen-bonded Turntrans-107.8-13-177.9-135.878.9000114.7K349 N784 N789K349-L787 HydrophobicContact CG-CD1 3.82Å; N784-L787 PolarHBondContact O-N 2.9Å; L787-N789 PolarHBondContact O-N 2.99Å
788S33.5Very low42.2Very low87 Ų87115 Ų11561%0.60863%0.634SS**SBendtrans-95.721.6-173.766.70000115.7
789N31.5Very low40.2Very low103 Ų103117.5 Ų117.555%0.55165%0.649SS**  trans-122.585.1168.5-80.422.3000108.9K350 L787K350-N789 PolarHBondContact NZ-ND2 2.89Å; K350-N789 VanDerWaalsContact NZ-ND2 3.17Å; L787-N789 PolarHBondContact O-N 2.99Å
790N32.1Very low38.3Very low142 Ų142121.7 Ų121.776%0.75966%0.662SS**SBendtrans-164.6104.1142.4-92.4-15.5000109.4
791I30.3Very low36.5Very low154 Ų154119.5 Ų119.579%0.7967%0.666SS**  trans60.1114.9138.9-45.2172.8000115.7
792S29.1Very low34.8Very low111 Ų111124.7 Ų124.778%0.77668%0.682SS**  -149.2131.957.8-74.40000112.5
793A28.7Very low33.7Very low91 Ų91127.3 Ų127.375%0.75270%0.698SS**  trans-68.313315700000109.2
794N29.8Very low32.6Very low154 Ų154131.2 Ų131.282%0.82472%0.719SS**  trans-163.1134.2142.9-97.2-17.1000109.2
795Q31Very low31.8Very low183 Ų183133.1 Ų133.186%0.85573%0.734SS**  trans75.182.7165.4-60.7173.49.200116.5
796L28.7Very low31.3Very low180 Ų180132.8 Ų132.894%0.94274%0.739SS**  trans-131.2103.4145.6-100.5161.5000107.6
797D29.1Very low30.5Very low142 Ų142136.6 Ų136.676%0.75976%0.764SS**  trans-74.2135.1169.9-94-34.6000110.9
798E28.1Very low29.9Very low171 Ų171138.7 Ų138.780%0.79978%0.78SS**  trans45.2110.1138.3-60.8-168.6145.200119.9
799S28.6Very low29.7Very low103 Ų103140.8 Ų140.872%0.7279%0.79SS**  156.1145.988.155.80000113.6
800K27.6Very low29.7Very low200 Ų200140.3 Ų140.387%0.8780%0.8SS**  trans76.2131.4164.7-64.1172.9179.4171.20117.6
801S27.2Very low29.7Very low105 Ų105142.4 Ų142.473%0.73481%0.805SS**  cis-172.5122.7-3.645.60000108.3
802K26.4Very low29.9Very low188 Ų188142.3 Ų142.382%0.81781%0.807SS**  trans25.6115.5145.1-69.6174.2173.1176.90119.1
803T32.2Very low30.2Very low148 Ų148144.9 Ų144.991%0.90881%0.81SS**  trans-132.1125.4131.931.30000108.4
804D27.5Very low30.5Very low138 Ų138145.9 Ų145.974%0.73881%0.807SS**  trans-74.8136-168.1-63.7-56.6000113.1
805T30.8Very low30.8Very low137 Ų137146.6 Ų146.684%0.8481%0.805SS**  trans-168.6140.9137.79.40000109.9
806P35.9Very low31.2Very low115 Ų115145.8 Ų145.875%0.74781%0.807SS**  trans-88.6137.3-147.633.4-34.1000114T808P806-T808 PolarHBondContact O-N 3.4Å
807T28.9Very low31.8Very low132 Ų132145.5 Ų145.581%0.8180%0.801SS**  trans-69.8114.5166.2-21.10000109.2
808T30.1Very low32.9Very low128 Ų128145.6 Ų145.679%0.78580%0.801SS**  trans-126.9105.2153.610.50000106.9P806 A810P806-T808 PolarHBondContact O-N 3.4Å; T808-A810 PolarHBondContact O-N 2.88Å
809T31.2Very low34.3Very low131 Ų131142.6 Ų142.680%0.80479%0.791SS**  trans-54.3111168.339.50000109.2
810A31.1Very low36.1Very low94 Ų94144 Ų14478%0.77779%0.789SS**  trans-102.584.1167.500000107.7T808T808-A810 PolarHBondContact O-N 2.88Å
811E32.5Very low37.9Very low185 Ų185137.5 Ų137.586%0.86477%0.773SS**  trans-83.6139.3146.8-70.9-175.6162.400106.9
812D34.1Very low40Very low153 Ų153135.8 Ų135.882%0.81876%0.761SS**  trans59.779.3174.8-89.1-5.9000118.8
813I34.7Very low42.3Very low164 Ų164130 Ų13084%0.84174%0.738SS**  trans-135.2103.7139.4-56.3-179.4000108.5
814T35Very low44.7Very low112 Ų112126.3 Ų126.369%0.68772%0.715SS**  trans-59.5135.6164.538.70000110.6
815E36.8Very low47.2Very low170 Ų170127 Ų12779%0.79471%0.712SS**  trans5389.4148.3-60.8-177.8172.800117.9
816N39.4Very low49.4Very low165 Ų165128.7 Ų128.788%0.88270%0.703SS**  trans-148.891.7136.8-112.3-23.1000110.1N818N816-N818 VanDerWaalsContact C-N 3.27Å; N816-N818 PolarHBondContact O-N 3.01Å; N816-N818 VanDerWaalsContact O-N 3.07Å
817E39.7Very low51.6Low175 Ų175131.8 Ų131.882%0.81870%0.7SS**THydrogen-bonded Turntrans-72.911.6-164.5-77.3-160.7126.700117
818N53.6Low54.3Low143 Ų143134.8 Ų134.877%0.76570%0.696SS**THydrogen-bonded Turntrans-121.116.3-166.3-70-33.9000116.9N816 L820N816-N818 VanDerWaalsContact C-N 3.27Å; N816-N818 PolarHBondContact O-N 3.01Å; N816-N818 VanDerWaalsContact O-N 3.07Å; N818-L820 PolarHBondContact O-N 3.19Å
819D57.3Low56.8Low109 Ų109132.6 Ų132.658%0.58368%0.679SS**  trans-78.8110.2175.6-167.112.5000112.3A821 S822 I823D819-A821 PolarHBondContact O-N 3Å; D819-A821 VanDerWaalsContact O-N 3.09Å; D819-S822 WeakPolarHBondContact O-CB 3.38Å; D819-S822 PolarHBondContact O-N 2.9Å; D819-I823 PolarHBondContact O-N 3.18Å
820L65.5Low59.2Low132 Ų132131.4 Ų131.469%0.69167%0.667SS**Hα-helixtrans-54-31.9-175.7-134.988.3000112.6N818 S822 I823 V824N818-L820 PolarHBondContact O-N 3.19Å; L820-S822 VanDerWaalsContact C-N 3.33Å; L820-S822 PolarHBondContact O-N 3.47Å; L820-I823 PolarHBondContact O-N 3.42Å; L820-V824 WeakPolarHBondContact O-CG2 3.4Å; L820-V824 PolarHBondContact O-N 3.01Å; L820-V824 VanDerWaalsContact O-N 3.1Å
821A66.2Low61.8Low64 Ų64129.7 Ų129.753%0.52965%0.652SS.*Hα-helixtrans-63.8-38.5178.800000112.4D819 V824 K825D819-A821 PolarHBondContact O-N 3Å; D819-A821 VanDerWaalsContact O-N 3.09Å; A821-V824 PolarHBondContact O-N 3.34Å; A821-K825 PolarHBondContact O-N 3.07Å; A821-K825 VanDerWaalsContact O-N 3.1Å
822S71Confident64.3Low69 Ų69123.3 Ų123.348%0.48363%0.632SS.*Hα-helixtrans-69.5-37.2179.2-1470000111.4D819 L820 K825 R826D819-S822 WeakPolarHBondContact O-CB 3.38Å; D819-S822 PolarHBondContact O-N 2.9Å; L820-S822 VanDerWaalsContact C-N 3.33Å; L820-S822 PolarHBondContact O-N 3.47Å; S822-K825 PolarHBondContact O-N 3.43Å; S822-R826 WeakPolarHBondContact O-CB 3.36Å; S822-R826 PolarHBondContact O-N 2.85Å
823I75.5Confident66.9Low66 Ų66124 Ų12434%0.33862%0.623SS.*Hα-helixtrans-63.9-44.3174.5-61.2174.1000111D819 L820 R826 R827D819-I823 PolarHBondContact O-N 3.18Å; L820-I823 PolarHBondContact O-N 3.42Å; I823-R826 PolarHBondContact O-N 2.96Å; I823-R827 WeakPolarHBondContact O-CG 3.39Å; I823-R827 PolarHBondContact O-N 2.9Å
824V81.9Confident69.4Low71 Ų71118.9 Ų118.943%0.4361%0.605SS.*Hα-helixtrans-65-41.1179.1174.40000111.5L820 A821 R827 R828L820-V824 WeakPolarHBondContact O-CG2 3.4Å; L820-V824 PolarHBondContact O-N 3.01Å; L820-V824 VanDerWaalsContact O-N 3.1Å; A821-V824 PolarHBondContact O-N 3.34Å; V824-R827 PolarHBondContact O-N 3.47Å; V824-R828 PolarHBondContact O-N 3.06Å
825K80Confident72Confident153 Ų153118 Ų11867%0.66560%0.599SS**Hα-helixtrans-62-44176-167.1174-176.8178.60111.5A821 S822 R827 R828 I829A821-K825 PolarHBondContact O-N 3.07Å; A821-K825 VanDerWaalsContact O-N 3.1Å; S822-K825 PolarHBondContact O-N 3.43Å; K825-R827 PolarHBondContact O-N 2.93Å; K825-R828 PolarHBondContact O-N 3.18Å; K825-I829 HydrophobicContact CG-CD1 4.4Å; K825-I829 WeakPolarHBondContact O-CG1 3.22Å; K825-I829 PolarHBondContact O-N 3.19Å
826R77.5Confident74.4Confident172 Ų172114.3 Ų114.365%0.64958%0.584SS**Hα-helixtrans-63.3-40.9177.2-154.4-179.9-74.3172.6-3.7111.8S822 I823 I829 L830S822-R826 WeakPolarHBondContact O-CB 3.36Å; S822-R826 PolarHBondContact O-N 2.85Å; I823-R826 PolarHBondContact O-N 2.96Å; R826-I829 PolarHBondContact O-N 3.48Å; R826-L830 WeakPolarHBondContact O-CG 3.05Å; R826-L830 PolarHBondContact O-N 3.03Å; R826-L830 VanDerWaalsContact O-N 3.07Å
827R80.8Confident76.7Confident179 Ų179113 Ų11368%0.67557%0.573SS**Hα-helixtrans-63.5-40.5175.4-74.5179.7-178.1179.82.4113I823 V824 K825 L830 A831I823-R827 WeakPolarHBondContact O-CG 3.39Å; I823-R827 PolarHBondContact O-N 2.9Å; V824-R827 PolarHBondContact O-N 3.47Å; K825-R827 PolarHBondContact O-N 2.93Å; R827-L830 PolarHBondContact O-N 3.29Å; R827-A831 WeakPolarHBondContact O-CB 3.36Å; R827-A831 PolarHBondContact O-N 2.89Å
828R85.6Confident79Confident196 Ų196114.1 Ų114.174%0.7457%0.569SS**Hα-helixtrans-63.5-42.8176-83.1-175.5179169.40.7112.6V824 K825 A831 A832V824-R828 PolarHBondContact O-N 3.06Å; K825-R828 PolarHBondContact O-N 3.18Å; R828-A831 PolarHBondContact O-N 2.86Å; R828-A832 PolarHBondContact O-N 3.15Å
829I83.8Confident80.7Confident82 Ų82112.5 Ų112.542%0.42156%0.557SS.*Hα-helixtrans-65.7-42.1178.9-65.2167.8000110.9K825 R826 A832 R833K825-I829 HydrophobicContact CG-CD1 4.4Å; K825-I829 WeakPolarHBondContact O-CG1 3.22Å; K825-I829 PolarHBondContact O-N 3.19Å; R826-I829 PolarHBondContact O-N 3.48Å; I829-A832 PolarHBondContact O-N 3.45Å; I829-R833 WeakPolarHBondContact O-CG 3.32Å; I829-R833 PolarHBondContact O-N 3.13Å
830L81.7Confident82.2Confident106 Ų106113 Ų11356%0.55556%0.556SS**Hα-helixtrans-64.7-40.9176.3-72.7171.1000112.1R826 R827 R833 A834R826-L830 WeakPolarHBondContact O-CG 3.05Å; R826-L830 PolarHBondContact O-N 3.03Å; R826-L830 VanDerWaalsContact O-N 3.07Å; R827-L830 PolarHBondContact O-N 3.29Å; L830-R833 PolarHBondContact O-N 2.92Å; L830-A834 WeakPolarHBondContact O-CB 3.2Å; L830-A834 PolarHBondContact O-N 3.37Å
831A85.8Confident83.2Confident57 Ų57114.3 Ų114.347%0.47156%0.556SS.*Hα-helixtrans-63.1-43.4175.200000111.9R827 R828 A834 V835R827-A831 WeakPolarHBondContact O-CB 3.36Å; R827-A831 PolarHBondContact O-N 2.89Å; R828-A831 PolarHBondContact O-N 2.86Å; A831-A834 PolarHBondContact O-N 3.13Å; A831-V835 WeakPolarHBondContact O-CG2 3.38Å; A831-V835 PolarHBondContact O-N 2.86Å
832A85Confident84.2Confident52 Ų52116.1 Ų116.143%0.4355%0.553SS.*Hα-helixtrans-62.6-43176.700000112.3R828 I829 A834 V835 I836R828-A832 PolarHBondContact O-N 3.15Å; I829-A832 PolarHBondContact O-N 3.45Å; A832-A834 PolarHBondContact O-N 3.26Å; A832-V835 PolarHBondContact O-N 2.66Å; A832-I836 WeakPolarHBondContact O-CG1 3.38Å; A832-I836 PolarHBondContact O-N 3.43Å; A832-I836 VanDerWaalsContact O-N 3.09Å
833R88.8Confident85Confident168 Ų168116 Ų11663%0.63455%0.548SS*.Hα-helixtrans-62.8-41.4175-73.6-179.8-179-178.40.2112.4I829 L830 V835 I836 E837I829-R833 WeakPolarHBondContact O-CG 3.32Å; I829-R833 PolarHBondContact O-N 3.13Å; L830-R833 PolarHBondContact O-N 2.92Å; R833-V835 VanDerWaalsContact C-N 3.28Å; R833-V835 PolarHBondContact O-N 2.74Å; R833-I836 PolarHBondContact O-N 3.22Å; R833-E837 WeakPolarHBondContact O-CB 3.31Å; R833-E837 PolarHBondContact O-N 3.11Å
834A87.3Confident85.6Confident56 Ų56117.4 Ų117.446%0.46356%0.555SS.*Hα-helixtrans-65-31.717700000112.7L830 A831 A832 R838L830-A834 WeakPolarHBondContact O-CB 3.2Å; L830-A834 PolarHBondContact O-N 3.37Å; A831-A834 PolarHBondContact O-N 3.13Å; A832-A834 PolarHBondContact O-N 3.26Å; A834-R838 WeakPolarHBondContact O-CB 3.46Å; A834-R838 PolarHBondContact O-N 3.01Å; A834-R838 VanDerWaalsContact O-N 3.16Å
835V89.3Confident85.8Confident93 Ų93117.3 Ų117.356%0.56455%0.55SS*.Hα-helixtrans-69.1-46.7173.7172.60000110.9A831 A832 R833 R838 E839A831-V835 WeakPolarHBondContact O-CG2 3.38Å; A831-V835 PolarHBondContact O-N 2.86Å; A832-V835 PolarHBondContact O-N 2.66Å; R833-V835 VanDerWaalsContact C-N 3.28Å; R833-V835 PolarHBondContact O-N 2.74Å; V835-R838 PolarHBondContact O-N 2.83Å; V835-E839 PolarHBondContact O-N 3.03Å
836I87Confident86.1Confident93 Ų93115.6 Ų115.648%0.47754%0.539SS..Hα-helixtrans-61.6-46178-64.9167000111.1A832 R833 R838 E839 E840A832-I836 WeakPolarHBondContact O-CG1 3.38Å; A832-I836 PolarHBondContact O-N 3.43Å; A832-I836 VanDerWaalsContact O-N 3.09Å; R833-I836 PolarHBondContact O-N 3.22Å; I836-R838 VanDerWaalsContact C-N 3.29Å; I836-R838 PolarHBondContact O-N 2.83Å; I836-E839 PolarHBondContact O-N 3.23Å; I836-E840 HydrophobicContact CG2-CG 4.49Å; I836-E840 WeakPolarHBondContact O-CG 3.34Å; I836-E840 PolarHBondContact O-N 2.7Å
837E88.3Confident86.5Confident138 Ų138112.7 Ų112.765%0.64553%0.533SS*.Hα-helixtrans-62.6-36.6178.4-172-175.5172.400112R833 K841R833-E837 WeakPolarHBondContact O-CB 3.31Å; R833-E837 PolarHBondContact O-N 3.11Å; E837-K841 WeakPolarHBondContact O-CB 3.43Å; E837-K841 PolarHBondContact O-N 2.71Å
838R87Confident86.7Confident197 Ų197110.2 Ų110.274%0.74352%0.524SS*.Hα-helixtrans-66.6-42.1175.6-166.2-178-149.4166.16.2111.5A834 V835 I836 K841 E842A834-R838 WeakPolarHBondContact O-CB 3.46Å; A834-R838 PolarHBondContact O-N 3.01Å; A834-R838 VanDerWaalsContact O-N 3.16Å; V835-R838 PolarHBondContact O-N 2.83Å; I836-R838 VanDerWaalsContact C-N 3.29Å; I836-R838 PolarHBondContact O-N 2.83Å; R838-K841 PolarHBondContact O-N 2.85Å; R838-E842 WeakPolarHBondContact O-CB 3.42Å; R838-E842 PolarHBondContact O-N 3.25Å
839E89Confident86.7Confident109 Ų109108.5 Ų108.551%0.50952%0.517SS..Hα-helixtrans-65.9-43177.6-172.1174.1-17300111.9V835 I836 K841 E842 N843V835-E839 PolarHBondContact O-N 3.03Å; I836-E839 PolarHBondContact O-N 3.23Å; E839-K841 PolarHBondContact O-N 3.38Å; E839-E842 PolarHBondContact O-N 2.95Å; E839-N843 WeakPolarHBondContact O-CB 3.49Å; E839-N843 VanDerWaalsContact O-CG 3.25Å; E839-N843 PolarHBondContact O-N 3.37Å; E839-N843 PolarHBondContact O-ND2 3.41Å
840E89.2Confident86.9Confident121 Ų121109.7 Ų109.757%0.56552%0.524SS*.Hα-helixtrans-60.4-43.8173.9-74.5-179.1170.100112.1I836 E842 N843 L844I836-E840 HydrophobicContact CG2-CG 4.49Å; I836-E840 WeakPolarHBondContact O-CG 3.34Å; I836-E840 PolarHBondContact O-N 2.7Å; E840-E842 VanDerWaalsContact C-N 3.34Å; E840-E842 PolarHBondContact O-N 2.89Å; E840-N843 PolarHBondContact O-N 3.2Å; E840-L844 PolarHBondContact O-N 3.23Å
841K87.4Confident87Confident159 Ų159109.3 Ų109.369%0.69152%0.519SS*.Hα-helixtrans-64.9-38.3177.2-172.8177.3-179.71780112E837 R838 E839 E845E837-K841 WeakPolarHBondContact O-CB 3.43Å; E837-K841 PolarHBondContact O-N 2.71Å; R838-K841 PolarHBondContact O-N 2.85Å; E839-K841 PolarHBondContact O-N 3.38Å; K841-E845 PolarHBondContact O-N 3.47Å; K841-E845 VanDerWaalsContact O-N 3.12Å
842E87.5Confident86.9Confident101 Ų101112.2 Ų112.247%0.47252%0.524SS..Hα-helixtrans-69.9-39.5176.3-160.3-174.213700111.7R838 E839 E840 E845 R846R838-E842 WeakPolarHBondContact O-CB 3.42Å; R838-E842 PolarHBondContact O-N 3.25Å; E839-E842 PolarHBondContact O-N 2.95Å; E840-E842 VanDerWaalsContact C-N 3.34Å; E840-E842 PolarHBondContact O-N 2.89Å; E842-E845 PolarHBondContact O-N 2.95Å; E842-R846 VanDerWaalsContact CD-NH2 3.31Å; E842-R846 PolarHBondContact O-N 2.95Å; E842-R846 IonicContact OE1-CZ 2.83Å; E842-R846 IonicContact OE1-NE 3.42Å; E842-R846 PolarHBondContact OE1-NE 2.98Å; E842-R846 IonicContact OE1-NH2 2.72Å; E842-R846 PolarHBondContact OE1-NH2 3.38Å
843N87.5Confident87Confident68 Ų68112.5 Ų112.536%0.36453%0.527SS..Hα-helixtrans-62-44.5174.3-75-19.9000111.7E839 E840 E845 R846 Q847E839-N843 WeakPolarHBondContact O-CB 3.49Å; E839-N843 VanDerWaalsContact O-CG 3.25Å; E839-N843 PolarHBondContact O-N 3.37Å; E839-N843 PolarHBondContact O-ND2 3.41Å; E840-N843 PolarHBondContact O-N 3.2Å; N843-E845 VanDerWaalsContact C-N 3.29Å; N843-E845 PolarHBondContact O-N 3.43Å; N843-R846 PolarHBondContact O-N 2.97Å; N843-R846 PolarHBondContact OD1-NH1 3.41Å; N843-Q847 WeakPolarHBondContact O-CB 3.49Å; N843-Q847 PolarHBondContact O-N 2.76Å
844L88Confident86.8Confident94 Ų94109.1 Ų109.149%0.49252%0.519SS..Hα-helixtrans-60.5-38.1173.8-82.5163.1000112.5E840 R848E840-L844 PolarHBondContact O-N 3.23Å; L844-R848 PolarHBondContact O-N 3.19Å; L844-R848 VanDerWaalsContact O-N 3.1Å
845E86Confident86.7Confident69 Ų69113 Ų11332%0.32253%0.527SS..Hα-helixtrans-72.6-39.5177.8-171.258.8-161.100112.4K841 E842 N843 Q847 R848 R849K841-E845 PolarHBondContact O-N 3.47Å; K841-E845 VanDerWaalsContact O-N 3.12Å; E842-E845 PolarHBondContact O-N 2.95Å; N843-E845 VanDerWaalsContact C-N 3.29Å; N843-E845 PolarHBondContact O-N 3.43Å; E845-Q847 VanDerWaalsContact C-N 3.31Å; E845-Q847 PolarHBondContact O-N 3.44Å; E845-R848 PolarHBondContact O-N 3.25Å; E845-R848 IonicContact OE2-CZ 2.78Å; E845-R848 IonicContact OE2-NE 3.09Å; E845-R848 PolarHBondContact OE2-NE 3Å; E845-R848 IonicContact OE2-NH2 2.77Å; E845-R848 PolarHBondContact OE2-NH2 3.48Å; E845-R848 VanDerWaalsContact OE2-NH2 3.11Å; E845-R849 WeakPolarHBondContact O-CG 3.34Å; E845-R849 PolarHBondContact O-N 3.31Å; E845-R849 VanDerWaalsContact O-N 3.07Å; E845-R849 IonicContact OE1-NE 2.72Å
846R86.1Confident86.3Confident118 Ų118112.7 Ų112.745%0.44552%0.519SS..Hα-helixtrans-59.9-42.4171.4-76.8-170-128.81225.2111.4E842 N843 R848 R849 L850E842-R846 VanDerWaalsContact CD-NH2 3.31Å; E842-R846 PolarHBondContact O-N 2.95Å; E842-R846 IonicContact OE1-CZ 2.83Å; E842-R846 IonicContact OE1-NE 3.42Å; E842-R846 PolarHBondContact OE1-NE 2.98Å; E842-R846 IonicContact OE1-NH2 2.72Å; E842-R846 PolarHBondContact OE1-NH2 3.38Å; N843-R846 PolarHBondContact O-N 2.97Å; N843-R846 PolarHBondContact OD1-NH1 3.41Å; R846-R848 PolarHBondContact O-N 3.41Å; R846-R849 PolarHBondContact O-N 3.32Å; R846-L850 PolarHBondContact O-N 3.11Å
847Q85Confident86.1Confident110 Ų110110.4 Ų110.451%0.51451%0.514SS..Hα-helixtrans-61.7-44176.9-170.3170.95.800112N843 E845 R849 L850 E851N843-Q847 WeakPolarHBondContact O-CB 3.49Å; N843-Q847 PolarHBondContact O-N 2.76Å; E845-Q847 VanDerWaalsContact C-N 3.31Å; E845-Q847 PolarHBondContact O-N 3.44Å; Q847-R849 VanDerWaalsContact C-N 3.35Å; Q847-R849 PolarHBondContact O-N 3.25Å; Q847-L850 PolarHBondContact O-N 2.92Å; Q847-E851 WeakPolarHBondContact O-CG 2.98Å; Q847-E851 PolarHBondContact O-N 3.27Å
848R85.4Confident85.9Confident127 Ų127105.7 Ų105.748%0.47949%0.492SS..Hα-helixtrans-60.3-40.2174.8-81.1-166.3-80.7-105.7-2.5113.3L844 E845 R846 E851 M852L844-R848 PolarHBondContact O-N 3.19Å; L844-R848 VanDerWaalsContact O-N 3.1Å; E845-R848 PolarHBondContact O-N 3.25Å; E845-R848 IonicContact OE2-CZ 2.78Å; E845-R848 IonicContact OE2-NE 3.09Å; E845-R848 PolarHBondContact OE2-NE 3Å; E845-R848 IonicContact OE2-NH2 2.77Å; E845-R848 PolarHBondContact OE2-NH2 3.48Å; E845-R848 VanDerWaalsContact OE2-NH2 3.11Å; R846-R848 PolarHBondContact O-N 3.41Å; R848-E851 PolarHBondContact O-N 2.87Å; R848-M852 PolarHBondContact O-N 3.43Å; R848-M852 VanDerWaalsContact O-N 3.1Å
849R85.8Confident85.9Confident161 Ų161101.4 Ų101.461%0.60848%0.48SS*.Hα-helixtrans-66.5-41.5177.2-70178.6-173.4177.30.3112E845 R846 Q847 M852 A853E845-R849 WeakPolarHBondContact O-CG 3.34Å; E845-R849 PolarHBondContact O-N 3.31Å; E845-R849 VanDerWaalsContact O-N 3.07Å; E845-R849 IonicContact OE1-NE 2.72Å; R846-R849 PolarHBondContact O-N 3.32Å; Q847-R849 VanDerWaalsContact C-N 3.35Å; Q847-R849 PolarHBondContact O-N 3.25Å; R849-M852 PolarHBondContact O-N 3.09Å; R849-A853 WeakPolarHBondContact O-CB 3.43Å; R849-A853 PolarHBondContact O-N 2.86Å
850L86.9Confident85.5Confident106 Ų106102.1 Ų102.156%0.55548%0.478SS*.Hα-helixtrans-60.8-43174.5-106.5141.9000112R846 Q847 A853 Q854R846-L850 PolarHBondContact O-N 3.11Å; Q847-L850 PolarHBondContact O-N 2.92Å; L850-A853 PolarHBondContact O-N 2.73Å; L850-Q854 WeakPolarHBondContact O-CB 3.32Å; L850-Q854 VanDerWaalsContact O-CG 3.31Å; L850-Q854 WeakPolarHBondContact O-CG 3.25Å; L850-Q854 PolarHBondContact O-N 2.73Å
851E85.5Confident85.4Confident98 Ų9898.4 Ų98.446%0.45847%0.469SS..Hα-helixtrans-64.5-42.5177.1-73.5179.5176.100112.7Q847 R848 Q854 E855Q847-E851 WeakPolarHBondContact O-CG 2.98Å; Q847-E851 PolarHBondContact O-N 3.27Å; R848-E851 PolarHBondContact O-N 2.87Å; E851-Q854 PolarHBondContact O-N 3.46Å; E851-E855 PolarHBondContact O-N 3.46Å
852M82.8Confident85.4Confident118 Ų11892.5 Ų92.558%0.58144%0.444SS*.Hα-helixtrans-64.5-41.2175-77.2-171.8-74.800112.2R848 R849 Q854 E855 H856R848-M852 PolarHBondContact O-N 3.43Å; R848-M852 VanDerWaalsContact O-N 3.1Å; R849-M852 PolarHBondContact O-N 3.09Å; M852-Q854 VanDerWaalsContact C-N 3.34Å; M852-Q854 PolarHBondContact O-N 3.41Å; M852-E855 PolarHBondContact O-N 2.91Å; M852-H856 PolarHBondContact O-N 3.24Å
853A86.8Confident85.3Confident59 Ų5992.2 Ų92.249%0.48845%0.446SS..Hα-helixtrans-63.9-39.1176.300000111.9R849 L850 A857R849-A853 WeakPolarHBondContact O-CB 3.43Å; R849-A853 PolarHBondContact O-N 2.86Å; L850-A853 PolarHBondContact O-N 2.73Å; A853-A857 WeakPolarHBondContact O-CB 3.48Å; A853-A857 PolarHBondContact O-N 3.35Å
854Q84.8Confident85.3Confident97 Ų9793.5 Ų93.545%0.45346%0.456SS..Hα-helixtrans-64.8-44.2174-75.3177.60.500112.1L850 E851 M852 H856 A857 E858L850-Q854 WeakPolarHBondContact O-CB 3.32Å; L850-Q854 VanDerWaalsContact O-CG 3.31Å; L850-Q854 WeakPolarHBondContact O-CG 3.25Å; L850-Q854 PolarHBondContact O-N 2.73Å; E851-Q854 PolarHBondContact O-N 3.46Å; M852-Q854 VanDerWaalsContact C-N 3.34Å; M852-Q854 PolarHBondContact O-N 3.41Å; Q854-H856 VanDerWaalsContact C-N 3.35Å; Q854-H856 PolarHBondContact O-N 3.46Å; Q854-A857 PolarHBondContact O-N 3.14Å; Q854-E858 WeakPolarHBondContact O-CG 3.45Å; Q854-E858 PolarHBondContact O-N 3.24Å
855E84.8Confident85.5Confident137 Ų13790.1 Ų90.164%0.6444%0.44SS*.Hα-helixtrans-61.7-42.9177.6-176.1169.1-159.100111.7E851 M852 E858 E859E851-E855 PolarHBondContact O-N 3.46Å; M852-E855 PolarHBondContact O-N 2.91Å; E855-E858 PolarHBondContact O-N 3.35Å; E855-E859 PolarHBondContact O-N 3.2Å
856H81.5Confident85.6Confident87 Ų8788.2 Ų88.240%0.40343%0.434SS..Hα-helixtrans-66.9-38.1176.4-170.1-117.5000112.4M852 Q854 E859 R860M852-H856 PolarHBondContact O-N 3.24Å; Q854-H856 VanDerWaalsContact C-N 3.35Å; Q854-H856 PolarHBondContact O-N 3.46Å; H856-E859 PolarHBondContact O-N 3.01Å; H856-R860 PolarHBondContact CE1-NH1 3.02Å; H856-R860 VanDerWaalsContact ND1-CZ 3.3Å; H856-R860 PolarHBondContact ND1-NH1 3.04Å; H856-R860 WeakPolarHBondContact O-CG 3.43Å; H856-R860 PolarHBondContact O-N 3.35Å
857A83.3Confident85.6Confident44 Ų4488 Ų8836%0.36443%0.433SS..Hα-helixtrans-64-40.317300000112.5A853 Q854 R860 A861A853-A857 WeakPolarHBondContact O-CB 3.48Å; A853-A857 PolarHBondContact O-N 3.35Å; Q854-A857 PolarHBondContact O-N 3.14Å; A857-R860 PolarHBondContact O-N 3.36Å; A857-A861 PolarHBondContact O-N 3.22Å
858E84.5Confident85.7Confident40 Ų4085.4 Ų85.419%0.18742%0.423CS..Hα-helixtrans-64.5-41.7174.6-74.7-177.9-179.900112.2R767 Q854 E855 A861 I862R767-E858 WeakPolarHBondContact CD-OE1 3.36Å; R767-E858 IonicContact CZ-OE1 2.95Å; R767-E858 IonicContact NH1-OE1 3.54Å; R767-E858 PolarHBondContact NH1-OE1 2.99Å; Q854-E858 WeakPolarHBondContact O-CG 3.45Å; Q854-E858 PolarHBondContact O-N 3.24Å; E855-E858 PolarHBondContact O-N 3.35Å; E858-A861 PolarHBondContact O-N 2.7Å; E858-I862 WeakPolarHBondContact O-CD1 3.46Å; E858-I862 VanDerWaalsContact O-CG1 3.29Å; E858-I862 WeakPolarHBondContact O-CG1 3.14Å; E858-I862 PolarHBondContact O-N 3.14Å
859E85.1Confident86Confident106 Ų10681.7 Ų81.750%0.49541%0.409SS..Hα-helixtrans-62.6-44.3175.9-175.7168.2-160.100111.6E855 H856 A861 I862 N863E855-E859 PolarHBondContact O-N 3.2Å; H856-E859 PolarHBondContact O-N 3.01Å; E859-A861 PolarHBondContact O-N 3.46Å; E859-I862 PolarHBondContact O-N 3.47Å; E859-N863 WeakPolarHBondContact O-CB 3.46Å; E859-N863 VanDerWaalsContact O-CG 3.28Å; E859-N863 PolarHBondContact O-N 2.87Å; E859-N863 PolarHBondContact O-ND2 3.39Å
860R82.3Confident85.8Confident124 Ų12477.5 Ų77.547%0.46840%0.399SS..Hα-helixtrans-59.8-46173.7-72.2-176.2-61.4-140.4-0.5112H856 A857 I862 N863 T864H856-R860 PolarHBondContact CE1-NH1 3.02Å; H856-R860 VanDerWaalsContact ND1-CZ 3.3Å; H856-R860 PolarHBondContact ND1-NH1 3.04Å; H856-R860 WeakPolarHBondContact O-CG 3.43Å; H856-R860 PolarHBondContact O-N 3.35Å; A857-R860 PolarHBondContact O-N 3.36Å; R860-I862 VanDerWaalsContact C-N 3.33Å; R860-I862 PolarHBondContact O-N 2.88Å; R860-N863 PolarHBondContact O-N 3.34Å; R860-T864 PolarHBondContact O-N 3.12Å; R860-T864 PolarHBondContact O-OG1 3.26Å
861A86.1Confident85.6Confident44 Ų4473.6 Ų73.636%0.36438%0.378SS..Hα-helixtrans-59.7-41.5178.100000112.5A857 E858 E859 T864 V865A857-A861 PolarHBondContact O-N 3.22Å; E858-A861 PolarHBondContact O-N 2.7Å; E859-A861 PolarHBondContact O-N 3.46Å; A861-T864 PolarHBondContact O-N 2.84Å; A861-V865 WeakPolarHBondContact O-CG2 3.49Å; A861-V865 PolarHBondContact O-N 3.07Å; A861-V865 VanDerWaalsContact O-N 3.07Å
862I88.1Confident85.7Confident34 Ų3471.2 Ų71.217%0.17437%0.365CS..Hα-helixtrans-65.4-42.9176.3-67.7161.1000111.2V760 K764 E858 E859 R860 V865 S866V760-I862 HydrophobicContact CG1-CG1 3.59Å; K764-I862 HydrophobicContact CD-CD1 3.7Å; K764-I862 VanDerWaalsContact NZ-CD1 3.26Å; E858-I862 WeakPolarHBondContact O-CD1 3.46Å; E858-I862 VanDerWaalsContact O-CG1 3.29Å; E858-I862 WeakPolarHBondContact O-CG1 3.14Å; E858-I862 PolarHBondContact O-N 3.14Å; E859-I862 PolarHBondContact O-N 3.47Å; R860-I862 VanDerWaalsContact C-N 3.33Å; R860-I862 PolarHBondContact O-N 2.88Å; I862-V865 PolarHBondContact O-N 2.89Å; I862-S866 WeakPolarHBondContact O-CB 3.43Å; I862-S866 PolarHBondContact O-N 3.3Å
863N85Confident85.9Confident95 Ų9566.3 Ų66.351%0.50834%0.342SS..Hα-helixtrans-64.8-42.5178.9-71.3-17.1000111.3E859 R860 S866 R867E859-N863 WeakPolarHBondContact O-CB 3.46Å; E859-N863 VanDerWaalsContact O-CG 3.28Å; E859-N863 PolarHBondContact O-N 2.87Å; E859-N863 PolarHBondContact O-ND2 3.39Å; R860-N863 PolarHBondContact O-N 3.34Å; N863-S866 PolarHBondContact O-N 3.18Å; N863-R867 WeakPolarHBondContact O-CB 3.35Å; N863-R867 PolarHBondContact O-N 3.18Å
864T88.3Confident85.4Confident95 Ų9564.2 Ų64.258%0.58332%0.323SS*.Hα-helixtrans-60.2-49.1176-57.80000111.6R860 A861 R867 L868R860-T864 PolarHBondContact O-N 3.12Å; R860-T864 PolarHBondContact O-OG1 3.26Å; A861-T864 PolarHBondContact O-N 2.84Å; T864-R867 PolarHBondContact O-N 3.25Å; T864-L868 WeakPolarHBondContact O-CB 3.19Å; T864-L868 PolarHBondContact O-N 2.71Å
865V91.5Very high85.3Confident24 Ų2459.8 Ų59.815%0.14530%0.302CS..Hα-helixtrans-70.7-33-179.31800000111.9R756 K757 V760 A861 I862 Y869R756-V865 HydrophobicContact CB-CG1 3.98Å; K757-V865 HydrophobicContact CB-CG1 3.74Å; K757-V865 HydrophobicContact CG-CG1 4.43Å; K757-V865 VanDerWaalsContact N-CG1 3.28Å; V760-V865 HydrophobicContact CG2-CG2 4.16Å; A861-V865 WeakPolarHBondContact O-CG2 3.49Å; A861-V865 PolarHBondContact O-N 3.07Å; A861-V865 VanDerWaalsContact O-N 3.07Å; I862-V865 PolarHBondContact O-N 2.89Å; V865-Y869 PolarHBondContact O-N 3.06Å
866S88.5Confident85.5Confident29 Ų2953.8 Ų53.820%0.20328%0.276CS..Hα-helixtrans-64.4-48.1172.5-165.80000111.4K757 I862 N863 L868 Y869 D870K757-S866 PolarHBondContact NZ-OG 3.5Å; I862-S866 WeakPolarHBondContact O-CB 3.43Å; I862-S866 PolarHBondContact O-N 3.3Å; N863-S866 PolarHBondContact O-N 3.18Å; S866-L868 VanDerWaalsContact C-N 3.3Å; S866-L868 PolarHBondContact O-N 3.49Å; S866-Y869 PolarHBondContact O-N 3.17Å; S866-D870 PolarHBondContact O-N 3.21Å
867R85.3Confident85.6Confident114 Ų11455.3 Ų55.343%0.4328%0.282SS..Hα-helixtrans-58.7-43.9177.4-173.7178.3-177.71800.1110.9S548 N863 T864 Y869 D870 I871S548-R867 VanDerWaalsContact CB-NH2 3.3Å; S548-R867 PolarHBondContact OG-NH2 3.16Å; S548-R867 VanDerWaalsContact OG-NH2 3.16Å; N863-R867 WeakPolarHBondContact O-CB 3.35Å; N863-R867 PolarHBondContact O-N 3.18Å; T864-R867 PolarHBondContact O-N 3.25Å; R867-Y869 PolarHBondContact O-N 3.38Å; R867-D870 PolarHBondContact O-N 3.21Å; R867-I871 HydrophobicContact CG-CD1 4.11Å; R867-I871 VanDerWaalsContact O-CG1 3.25Å; R867-I871 WeakPolarHBondContact O-CG1 3.29Å; R867-I871 PolarHBondContact O-N 3.26Å
868L86.6Confident85.4Confident55 Ų5553.6 Ų53.629%0.28827%0.267SS..Hα-helixtrans-61.3-43.6176.9-176.863.3000112.2A753 T864 S866 I871 R872A753-L868 HydrophobicContact CB-CG 4.38Å; T864-L868 WeakPolarHBondContact O-CB 3.19Å; T864-L868 PolarHBondContact O-N 2.71Å; S866-L868 VanDerWaalsContact C-N 3.3Å; S866-L868 PolarHBondContact O-N 3.49Å; L868-I871 PolarHBondContact O-N 2.7Å; L868-R872 HydrophobicContact CD1-CG 4.31Å; L868-R872 WeakPolarHBondContact O-CG 3.45Å; L868-R872 PolarHBondContact O-N 3.36Å
869Y92.4Very high85.5Confident49 Ų4952.1 Ų52.119%0.19226%0.261CS..Hα-helixtrans-62.9-42.1174.8169.2-102.9000112.1A753 W754 K757 V865 S866 R867 I871 R872 S873A753-Y869 HydrophobicContact CB-CD2 4.45Å; W754-Y869 HydrophobicContact CB-CD2 3.72Å; W754-Y869 HydrophobicContact CB-CE2 3.64Å; W754-Y869 HydrophobicContact CD2-CE2 4.13Å; W754-Y869 HydrophobicContact CE3-CD1 4.3Å; W754-Y869 HydrophobicContact CE3-CD2 4.01Å; W754-Y869 AromaticContact CE3-CE1 3.93Å; W754-Y869 HydrophobicContact CE3-CE1 3.93Å; W754-Y869 AromaticContact CE3-CE2 3.64Å; W754-Y869 HydrophobicContact CE3-CE2 3.64Å; W754-Y869 HydrophobicContact CE3-CG 4.3Å; W754-Y869 AromaticContact CE3-CZ 3.57Å; W754-Y869 HydrophobicContact CG-CE2 4.17Å; W754-Y869 HydrophobicContact CZ3-CE1 4.17Å; K757-Y869 HydrophobicContact CD-CD1 4.14Å; K757-Y869 HydrophobicContact CD-CG 4.2Å; V865-Y869 PolarHBondContact O-N 3.06Å; S866-Y869 PolarHBondContact O-N 3.17Å; R867-Y869 PolarHBondContact O-N 3.38Å; Y869-I871 VanDerWaalsContact C-N 3.29Å; Y869-I871 PolarHBondContact O-N 2.81Å; Y869-R872 PolarHBondContact O-N 3.08Å; Y869-S873 WeakPolarHBondContact O-CB 3.07Å; Y869-S873 PolarHBondContact O-N 3.41Å
870D82Confident85.4Confident73 Ų7351 Ų5139%0.3926%0.258SS..Hα-helixtrans-62.7-40.7179.9-60.5-26.5000110.2S866 R867 T874S866-D870 PolarHBondContact O-N 3.21Å; R867-D870 PolarHBondContact O-N 3.21Å; D870-T874 VanDerWaalsContact O-CB 3.28Å; D870-T874 WeakPolarHBondContact O-CB 3.36Å; D870-T874 WeakPolarHBondContact O-CG2 3.39Å; D870-T874 PolarHBondContact O-N 2.79Å; D870-T874 PolarHBondContact O-OG1 2.91Å
871I82.6Confident85.2Confident23 Ų2355.6 Ų55.612%0.11828%0.275CS..Hα-helixtrans-60.7-55172.8-65.5165.3000111.2L547 F550 R867 L868 Y869 S873 T874 E875L547-I871 WeakPolarHBondContact O-CG2 3.36Å; F550-I871 WeakPolarHBondContact CB-O 3.31Å; F550-I871 HydrophobicContact CD2-CG2 4.06Å; R867-I871 HydrophobicContact CG-CD1 4.11Å; R867-I871 VanDerWaalsContact O-CG1 3.25Å; R867-I871 WeakPolarHBondContact O-CG1 3.29Å; R867-I871 PolarHBondContact O-N 3.26Å; L868-I871 PolarHBondContact O-N 2.7Å; Y869-I871 VanDerWaalsContact C-N 3.29Å; Y869-I871 PolarHBondContact O-N 2.81Å; I871-S873 PolarHBondContact O-N 3.23Å; I871-T874 PolarHBondContact O-N 3.45Å; I871-T874 PolarHBondContact O-OG1 3.43Å; I871-E875 WeakPolarHBondContact O-CB 3.38Å; I871-E875 PolarHBondContact O-N 3.34Å
872R87.8Confident85.1Confident49 Ų4955.8 Ų55.819%0.18527%0.27CS..Hα-helixtrans-68.8-36.4-175.8-61.9-56-176-169.3-2.7113.1A750 A753 L868 Y869 T874 E875 A876A750-R872 HydrophobicContact CB-CB 4.22Å; A750-R872 WeakPolarHBondContact CB-O 3.16Å; A753-R872 HydrophobicContact CB-CB 4.12Å; A753-R872 HydrophobicContact CB-CG 4.09Å; L868-R872 HydrophobicContact CD1-CG 4.31Å; L868-R872 WeakPolarHBondContact O-CG 3.45Å; L868-R872 PolarHBondContact O-N 3.36Å; Y869-R872 PolarHBondContact O-N 3.08Å; R872-T874 PolarHBondContact O-N 3.15Å; R872-E875 WeakPolarHBondContact CD-OE2 3.5Å; R872-E875 IonicContact CZ-OE2 2.63Å; R872-E875 IonicContact NE-OE2 3.53Å; R872-E875 IonicContact NH1-OE1 3.5Å; R872-E875 IonicContact NH1-OE2 3.69Å; R872-E875 PolarHBondContact NH1-OE2 3.41Å; R872-E875 PolarHBondContact O-N 3.44Å; R872-A876 WeakPolarHBondContact O-CB 3.39Å; R872-A876 PolarHBondContact O-N 2.98Å
873S86.1Confident84.9Confident15 Ų1559.3 Ų59.311%0.10529%0.289CS..Hα-helixtrans-62.8-34.7175.9179.40000111.5Y869 I871 K877Y869-S873 WeakPolarHBondContact O-CB 3.07Å; Y869-S873 PolarHBondContact O-N 3.41Å; I871-S873 PolarHBondContact O-N 3.23Å; S873-K877 WeakPolarHBondContact O-CD 3.42Å; S873-K877 VanDerWaalsContact O-CG 3.28Å; S873-K877 WeakPolarHBondContact O-CG 3.4Å; S873-K877 PolarHBondContact O-N 3.41Å
874T77.5Confident85.1Confident14 Ų1456.1 Ų56.19%0.08627%0.273CS..Hα-helixtrans-83.8-36.2-176.958.10000111F550 C551 D870 I871 R872 A876 K877 C878F550-T874 WeakPolarHBondContact CB-OG1 3.29Å; F550-T874 WeakPolarHBondContact O-CB 3.4Å; F550-T874 PolarHBondContact O-OG1 3.46Å; F550-T874 VanDerWaalsContact O-OG1 3.04Å; C551-T874 HydrophobicContact CB-CG2 4.16Å; C551-T874 PolarHBondContact N-OG1 2.9Å; D870-T874 VanDerWaalsContact O-CB 3.28Å; D870-T874 WeakPolarHBondContact O-CB 3.36Å; D870-T874 WeakPolarHBondContact O-CG2 3.39Å; D870-T874 PolarHBondContact O-N 2.79Å; D870-T874 PolarHBondContact O-OG1 2.91Å; I871-T874 PolarHBondContact O-N 3.45Å; I871-T874 PolarHBondContact O-OG1 3.43Å; R872-T874 PolarHBondContact O-N 3.15Å; T874-A876 PolarHBondContact O-N 2.88Å; T874-K877 PolarHBondContact O-N 3.21Å; T874-K877 VanDerWaalsContact O-N 3.09Å; T874-C878 PolarHBondContact O-N 3.41Å; T874-C878 PolarHBondContact O-SG 3.03Å
875E82.6Confident85Confident5 Ų552.9 Ų52.92%0.02325%0.252CS..Hα-helixtrans-53.1-52166.7-177.7178.2-162.800110.9F550 C746 R749 I871 R872 K877 C878 V879F550-E875 HydrophobicContact CB-CB 4.12Å; F550-E875 HydrophobicContact CD1-CB 3.95Å; F550-E875 HydrophobicContact CD1-CG 4.23Å; F550-E875 HydrophobicContact CD2-CB 4.1Å; F550-E875 HydrophobicContact CD2-CG 4.46Å; F550-E875 HydrophobicContact CE1-CB 4.4Å; F550-E875 HydrophobicContact CE1-CG 4.18Å; F550-E875 HydrophobicContact CE2-CG 4.41Å; F550-E875 HydrophobicContact CG-CB 3.77Å; F550-E875 HydrophobicContact CG-CG 4.36Å; F550-E875 HydrophobicContact CZ-CG 4.27Å; C746-E875 HydrophobicContact CB-CG 4.5Å; R749-E875 IonicContact CZ-OE1 2.66Å; R749-E875 IonicContact CZ-OE2 2.76Å; R749-E875 VanDerWaalsContact NH1-CD 3.26Å; R749-E875 IonicContact NH1-OE1 2.77Å; R749-E875 PolarHBondContact NH1-OE1 2.85Å; R749-E875 IonicContact NH1-OE2 3.09Å; R749-E875 PolarHBondContact NH1-OE2 3.47Å; R749-E875 VanDerWaalsContact NH1-OE2 3.15Å; R749-E875 IonicContact NH2-OE1 3.8Å; R749-E875 PolarHBondContact NH2-OE1 3.35Å; R749-E875 IonicContact NH2-OE2 3.43Å; I871-E875 WeakPolarHBondContact O-CB 3.38Å; I871-E875 PolarHBondContact O-N 3.34Å; R872-E875 WeakPolarHBondContact CD-OE2 3.5Å; R872-E875 IonicContact CZ-OE2 2.63Å; R872-E875 IonicContact NE-OE2 3.53Å; R872-E875 IonicContact NH1-OE1 3.5Å; R872-E875 IonicContact NH1-OE2 3.69Å; R872-E875 PolarHBondContact NH1-OE2 3.41Å; R872-E875 PolarHBondContact O-N 3.44Å; E875-K877 PolarHBondContact O-N 3.38Å; E875-C878 PolarHBondContact O-N 2.99Å; E875-V879 PolarHBondContact O-N 3.28Å
876A87.5Confident84.9Confident11 Ų1151.9 Ų51.99%0.09125%0.247CC..Hα-helixtrans-62.4-26177.800000114.3C746 Q747 A750 R872 T874 V879 L880C746-A876 HydrophobicContact CB-CB 4.38Å; Q747-A876 HydrophobicContact CG-CB 4.44Å; A750-A876 HydrophobicContact CB-CB 3.84Å; R872-A876 WeakPolarHBondContact O-CB 3.39Å; R872-A876 PolarHBondContact O-N 2.98Å; T874-A876 PolarHBondContact O-N 2.88Å; A876-V879 WeakPolarHBondContact O-CG2 3.4Å; A876-L880 WeakPolarHBondContact O-CG 3.33Å
877K84.4Confident84.9Confident118 Ų11854.5 Ų54.551%0.51325%0.253SS..Hα-helixtrans-81.6-28.8174-73.3167.5-174.2167.10112.4S873 T874 E875S873-K877 WeakPolarHBondContact O-CD 3.42Å; S873-K877 VanDerWaalsContact O-CG 3.28Å; S873-K877 WeakPolarHBondContact O-CG 3.4Å; S873-K877 PolarHBondContact O-N 3.41Å; T874-K877 PolarHBondContact O-N 3.21Å; T874-K877 VanDerWaalsContact O-N 3.09Å; E875-K877 PolarHBondContact O-N 3.38Å
878C80.1Confident84.9Confident9 Ų949 Ų496%0.06123%0.232CC..Hα-helixtrans-73.7-34-176.9-670000112.5I523 T874 E875 L880 R898I523-C878 VanDerWaalsContact CG2-O 3.31Å; I523-C878 WeakPolarHBondContact CG2-O 3.32Å; T874-C878 PolarHBondContact O-N 3.41Å; T874-C878 PolarHBondContact O-SG 3.03Å; E875-C878 PolarHBondContact O-N 2.99Å; C878-L880 PolarHBondContact O-N 2.9Å; C878-R898 PolarHBondContact SG-NH2 3.12Å
879V85.6Confident84.8Confident8 Ų847.4 Ų47.45%0.04822%0.222CC..THydrogen-bonded Turntrans-75.6-4.5178.4-60.40000113.9I523 F524 I743 C746 E875 A876I523-V879 HydrophobicContact CG2-CB 4.49Å; I523-V879 HydrophobicContact CG2-CG1 4.25Å; F524-V879 HydrophobicContact CE1-CB 4.49Å; I743-V879 HydrophobicContact CB-CG2 4.38Å; I743-V879 HydrophobicContact CG1-CB 4.05Å; I743-V879 HydrophobicContact CG1-CG2 4.04Å; I743-V879 HydrophobicContact CG2-CG2 4.28Å; C746-V879 HydrophobicContact CB-CG2 4Å; E875-V879 PolarHBondContact O-N 3.28Å; A876-V879 WeakPolarHBondContact O-CG2 3.4Å
880L83.9Confident84.3Confident84 Ų8448.6 Ų48.644%0.4423%0.227SC..SBendtrans-86.9164173.1-59.9176.7000110.6I743 A876 C878 N882I743-L880 HydrophobicContact CG2-CD2 4.19Å; A876-L880 WeakPolarHBondContact O-CG 3.33Å; C878-L880 PolarHBondContact O-N 2.9Å; L880-N882 PolarHBondContact O-N 2.84Å
881R78.4Confident84.3Confident220 Ų22049.8 Ų49.883%0.8323%0.227SC*.PPolyproline II helixtrans-49.2123.4177.7-172.6175.2-179174.52.7111.7N883R881-N883 PolarHBondContact O-ND2 2.77Å; R881-N883 VanDerWaalsContact O-ND2 3.07Å
882N83Confident84.6Confident48 Ų4850.2 Ų50.226%0.25723%0.227SC..PPolyproline II helixtrans-66.6136.5175.5-160.217.7000109.7L880 Y896L880-N882 PolarHBondContact O-N 2.84Å; N882-Y896 PolarHBondContact ND2-O 3.19Å
883N83.4Confident84.7Confident108 Ų10850.1 Ų50.158%0.57823%0.227SC*.  trans-122.9148.7-178.7-72-68.9000109.3R881 I885R881-N883 PolarHBondContact O-ND2 2.77Å; R881-N883 VanDerWaalsContact O-ND2 3.07Å; N883-I885 PolarHBondContact O-N 3.15Å
884P88.9Confident85Confident27 Ų2749.4 Ų49.418%0.17522%0.222CC..  trans-59.4141173.727.4-34000109.4G886 R893 V894 W895P884-G886 PolarHBondContact O-N 3.01Å; P884-R893 HydrophobicContact CB-CB 4.03Å; P884-V894 CarbonylContact C-O 3.56Å; P884-V894 WeakPolarHBondContact CA-O 3.41Å; P884-W895 HydrophobicContact CB-CD2 4.08Å; P884-W895 HydrophobicContact CB-CE3 4.3Å; P884-W895 HydrophobicContact CB-CH2 4.42Å; P884-W895 HydrophobicContact CB-CZ2 4.2Å; P884-W895 HydrophobicContact CB-CZ3 4.46Å; P884-W895 HydrophobicContact CG-CH2 4.38Å; P884-W895 HydrophobicContact CG-CZ2 4.36Å
885I88.1Confident85.7Confident28 Ų2850.2 Ų50.214%0.14422%0.223CC..SBendtrans-60.6-34.1178-60.6167.8000110.1N883 V894 Y896 L904 H978 L979 Q982 F988N883-I885 PolarHBondContact O-N 3.15Å; I885-V894 PolarHBondContact N-O 2.83Å; I885-Y896 HydrophobicContact CD1-CG 4.48Å; I885-L904 HydrophobicContact CD1-CD2 3.94Å; I885-H978 PolarHBondContact O-CD2 3.3Å; I885-H978 VanDerWaalsContact O-CD2 3.25Å; I885-L979 HydrophobicContact CB-CD1 4.17Å; I885-L979 HydrophobicContact CG2-CD1 3.85Å; I885-Q982 HydrophobicContact CG2-CB 3.32Å; I885-Q982 HydrophobicContact CG2-CG 3.85Å; I885-F988 HydrophobicContact CD1-CE1 4.29Å; I885-F988 HydrophobicContact CD1-CZ 4.22Å
886G88.3Confident86.1Confident3 Ų350.8 Ų50.83%0.03123%0.225CC..EExtended strand (participates in β ladder)trans171.1-167.4174.800000111.3P884 V894P884-G886 PolarHBondContact O-N 3.01Å; G886-V894 PolarHBondContact O-N 2.83Å
887Y87.8Confident86.2Confident83 Ų8351 Ų5133%0.32522%0.224SC..EExtended strand (participates in β ladder)trans-121.4146.3-176.4-55.9-95.6000109.8R892 R893 W910Y887-R892 WeakPolarHBondContact CA-O 3.43Å; Y887-R893 HydrophobicContact CD1-CG 4.01Å; Y887-R893 HydrophobicContact CE1-CG 3.6Å; Y887-W910 HydrophobicContact CE1-CZ2 4.17Å
888D86.4Confident86.2Confident0 Ų047.7 Ų47.70%021%0.208CC..  trans-92.7178.8171.277.10.4000111.9L494 Y890 Y891 R892 R975L494-D888 HydrophobicContact CD1-CB 3.78Å; D888-Y890 PolarHBondContact O-N 3.02Å; D888-Y890 VanDerWaalsContact O-N 3.14Å; D888-Y890 WeakPolarHBondContact OD1-CA 3.31Å; D888-Y890 PolarHBondContact OD1-N 3.16Å; D888-Y891 PolarHBondContact O-N 3.29Å; D888-Y891 PolarHBondContact OD1-N 3.46Å; D888-Y891 VanDerWaalsContact OD1-N 3.16Å; D888-R892 PolarHBondContact N-O 3.05Å; D888-R892 WeakPolarHBondContact OD1-CB 3.22Å; D888-R892 PolarHBondContact OD1-N 2.74Å; D888-R892 IonicContact OD1-NE 3.58Å; D888-R892 IonicContact OD2-CZ 2.75Å; D888-R892 IonicContact OD2-NE 3.63Å; D888-R892 PolarHBondContact OD2-NE 2.86Å; D888-R892 IonicContact OD2-NH2 2.82Å; D888-R892 PolarHBondContact OD2-NH2 3.34Å; D888-R975 WeakPolarHBondContact O-CD 3.15Å
889R83.1Confident86.4Confident21 Ų2147.6 Ų47.68%0.07921%0.208CC..THydrogen-bonded Turntrans-57.5-24.8177.262.3-161.959.7-179.62.2114.9C491 P492 L494 Y891 S968 R975 E976C491-R889 PolarHBondContact SG-NH1 3.46Å; P492-R889 PolarHBondContact O-NH1 3.23Å; P492-R889 PolarHBondContact O-NH2 2.94Å; L494-R889 HydrophobicContact CD1-CG 3.63Å; L494-R889 HydrophobicContact CG-CG 4.24Å; R889-Y891 VanDerWaalsContact C-N 3.28Å; R889-S968 PolarHBondContact NH2-O 2.96Å; R889-R975 PolarHBondContact O-NH1 3.4Å; R889-E976 WeakPolarHBondContact CA-OE1 3.19Å; R889-E976 WeakPolarHBondContact CB-OE1 3.25Å; R889-E976 IonicContact CZ-OE1 3.9Å; R889-E976 PolarHBondContact N-OE1 3.45Å; R889-E976 IonicContact NE-OE1 3.32Å; R889-E976 PolarHBondContact NE-OE1 3.31Å; R889-E976 IonicContact NH2-OE1 2.87Å; R889-E976 IonicContact NH2-OE2 3.84Å
890Y82.3Confident86.5Confident74 Ų7447.5 Ų47.529%0.2921%0.207SC..THydrogen-bonded Turntrans-91.510.1180-54-61.8000112.3L494 D888 R892 P929L494-Y890 HydrophobicContact CB-CE2 4.24Å; L494-Y890 HydrophobicContact CD1-CD2 3.87Å; L494-Y890 HydrophobicContact CD1-CE2 3.78Å; L494-Y890 HydrophobicContact CG-CE2 4.31Å; D888-Y890 PolarHBondContact O-N 3.02Å; D888-Y890 VanDerWaalsContact O-N 3.14Å; D888-Y890 WeakPolarHBondContact OD1-CA 3.31Å; D888-Y890 PolarHBondContact OD1-N 3.16Å; Y890-R892 PolarHBondContact O-N 3.26Å; Y890-P929 HydrophobicContact CE1-CB 4.43Å
891Y81.9Confident86.4Confident98 Ų9844.3 Ų44.338%0.38419%0.192SC..  trans60.622.5-177-63.5-88.6000114.1D888 R889 W910 P931 R975D888-Y891 PolarHBondContact O-N 3.29Å; D888-Y891 PolarHBondContact OD1-N 3.46Å; D888-Y891 VanDerWaalsContact OD1-N 3.16Å; R889-Y891 VanDerWaalsContact C-N 3.28Å; Y891-W910 PolarHBondContact O-NE1 2.89Å; Y891-W910 VanDerWaalsContact O-NE1 3.16Å; Y891-P931 HydrophobicContact CD2-CB 4.24Å; Y891-P931 HydrophobicContact CE2-CB 4.3Å; Y891-P931 HydrophobicContact CE2-CG 4.36Å; Y891-R975 VanDerWaalsContact OH-CZ 3.24Å; Y891-R975 PolarHBondContact OH-NH2 3.05Å
892R88.7Confident86.6Confident31 Ų3135.9 Ų35.912%0.11716%0.163CC..PPolyproline II helixtrans-74.8136.3171.9-59-178.6-65.5-172.34.9108.8Y887 D888 Y890 L906 E907 A908Y887-R892 WeakPolarHBondContact CA-O 3.43Å; D888-R892 PolarHBondContact N-O 3.05Å; D888-R892 WeakPolarHBondContact OD1-CB 3.22Å; D888-R892 PolarHBondContact OD1-N 2.74Å; D888-R892 IonicContact OD1-NE 3.58Å; D888-R892 IonicContact OD2-CZ 2.75Å; D888-R892 IonicContact OD2-NE 3.63Å; D888-R892 PolarHBondContact OD2-NE 2.86Å; D888-R892 IonicContact OD2-NH2 2.82Å; D888-R892 PolarHBondContact OD2-NH2 3.34Å; Y890-R892 PolarHBondContact O-N 3.26Å; R892-L906 HydrophobicContact CB-CD2 4.24Å; R892-E907 WeakPolarHBondContact CA-O 3.3Å; R892-A908 HydrophobicContact CG-CB 3.97Å
893R90.8Very high86.9Confident48 Ų4836.7 Ų36.718%0.18116%0.163CC..EExtended strand (participates in β ladder)trans-79.5123.2176.1-62.6-167.1-70.8-156.44.1108.7P884 Y887 W895 L906 E907 W910P884-R893 HydrophobicContact CB-CB 4.03Å; Y887-R893 HydrophobicContact CD1-CG 4.01Å; Y887-R893 HydrophobicContact CE1-CG 3.6Å; R893-W895 HydrophobicContact CB-CZ2 4.46Å; R893-W895 VanDerWaalsContact CB-NE1 3.32Å; R893-L906 CarbonylContact O-C 3.54Å; R893-L906 WeakPolarHBondContact O-CA 3.39Å; R893-E907 HydrophobicContact CB-CB 4.27Å; R893-E907 IonicContact CZ-OE1 2.76Å; R893-E907 IonicContact CZ-OE2 3.46Å; R893-E907 PolarHBondContact N-O 2.76Å; R893-E907 IonicContact NE-OE2 3.07Å; R893-E907 PolarHBondContact NE-OE2 3.17Å; R893-E907 IonicContact NH2-OE1 2.77Å; R893-E907 PolarHBondContact NH2-OE1 2.77Å; R893-E907 IonicContact NH2-OE2 3.89Å; R893-E907 PolarHBondContact NH2-OE2 3.4Å; R893-E907 PolarHBondContact O-N 3.32Å; R893-W910 HydrophobicContact CG-CD2 4.46Å; R893-W910 HydrophobicContact CG-CG 4.37Å
894V92.7Very high87.3Confident0 Ų031.6 Ų31.60%014%0.135CC..EExtended strand (participates in β ladder)trans-94.4121.4174.1-175.30000108.9P884 I885 G886 L904 F905 L906 L979P884-V894 CarbonylContact C-O 3.56Å; P884-V894 WeakPolarHBondContact CA-O 3.41Å; I885-V894 PolarHBondContact N-O 2.83Å; G886-V894 PolarHBondContact O-N 2.83Å; V894-L904 HydrophobicContact CG1-CB 4.37Å; V894-L904 HydrophobicContact CG1-CD1 4.38Å; V894-F905 CarbonylContact C-O 3.51Å; V894-F905 WeakPolarHBondContact CA-O 3.38Å; V894-L906 HydrophobicContact CG2-CD2 3.79Å; V894-L979 HydrophobicContact CB-CD1 3.85Å; V894-L979 HydrophobicContact CB-CD2 4.32Å; V894-L979 HydrophobicContact CG1-CD1 4.02Å; V894-L979 HydrophobicContact CG2-CD1 4.12Å; V894-L979 HydrophobicContact CG2-CD2 3.66Å
895W92.7Very high87.5Confident30 Ų3030.4 Ų30.411%0.11413%0.127CC..EExtended strand (participates in β ladder)trans-115.7151.4-176.7-61.493.3000111.6P884 R893 F897 F905 E907 W953P884-W895 HydrophobicContact CB-CD2 4.08Å; P884-W895 HydrophobicContact CB-CE3 4.3Å; P884-W895 HydrophobicContact CB-CH2 4.42Å; P884-W895 HydrophobicContact CB-CZ2 4.2Å; P884-W895 HydrophobicContact CB-CZ3 4.46Å; P884-W895 HydrophobicContact CG-CH2 4.38Å; P884-W895 HydrophobicContact CG-CZ2 4.36Å; R893-W895 HydrophobicContact CB-CZ2 4.46Å; R893-W895 VanDerWaalsContact CB-NE1 3.32Å; W895-F897 HydrophobicContact CB-CD2 4Å; W895-F897 HydrophobicContact CB-CE2 3.35Å; W895-F897 HydrophobicContact CB-CZ 3.93Å; W895-F897 HydrophobicContact CD2-CE2 4.39Å; W895-F897 HydrophobicContact CD2-CZ 4.09Å; W895-F897 AromaticContact CE3-CZ 4Å; W895-F897 HydrophobicContact CE3-CZ 4Å; W895-F897 AromaticContact CG-CE2 3.91Å; W895-F897 HydrophobicContact CG-CE2 3.91Å; W895-F897 HydrophobicContact CG-CZ 4.1Å; W895-F905 HydrophobicContact CB-CB 4.16Å; W895-F905 PolarHBondContact N-O 3.1Å; W895-F905 PolarHBondContact O-N 3.02Å; W895-E907 PolarHBondContact NE1-OE2 3.32Å; W895-W953 AromaticContact CD1-CZ3 3.87Å; W895-W953 HydrophobicContact CG-CZ3 4.43Å
896Y90.5Very high87.7Confident18 Ų1829 Ų297%0.07112%0.12CC..  trans-127.9127.4166.9171.2-101.5000108.3P554 N882 I885 R898 L904 F988 L992P554-Y896 WeakPolarHBondContact CA-OH 3.47Å; P554-Y896 WeakPolarHBondContact CB-OH 3.32Å; P554-Y896 HydrophobicContact CG-CE2 4.18Å; N882-Y896 PolarHBondContact ND2-O 3.19Å; I885-Y896 HydrophobicContact CD1-CG 4.48Å; Y896-R898 HydrophobicContact CE1-CG 4.23Å; Y896-L904 HydrophobicContact CD2-CD2 4.23Å; Y896-F988 HydrophobicContact CD1-CE2 4.04Å; Y896-F988 HydrophobicContact CD1-CZ 4.18Å; Y896-F988 HydrophobicContact CD2-CE2 4.05Å; Y896-F988 AromaticContact CD2-CZ 3.64Å; Y896-F988 HydrophobicContact CD2-CZ 3.64Å; Y896-F988 HydrophobicContact CE1-CE2 4.16Å; Y896-F988 HydrophobicContact CE2-CE2 4.15Å; Y896-F988 HydrophobicContact CE2-CZ 4.14Å; Y896-F988 AromaticContact CG-CE2 4Å; Y896-F988 HydrophobicContact CG-CE2 4Å; Y896-F988 AromaticContact CG-CZ 3.68Å; Y896-F988 HydrophobicContact CG-CZ 3.68Å; Y896-L992 HydrophobicContact CE2-CD1 4.39Å
897F90.2Very high87.9Confident15 Ų1529.5 Ų29.57%0.06612%0.122CC..  trans-119.8133.3-179.5-65.9-81000108.8L515 E519 W895 C899 S900 F905 W953L515-F897 HydrophobicContact CD1-CB 4.25Å; L515-F897 HydrophobicContact CD1-CD1 4.46Å; L515-F897 HydrophobicContact CD1-CD2 4.01Å; L515-F897 HydrophobicContact CD1-CE2 4.47Å; L515-F897 HydrophobicContact CD1-CG 4Å; L515-F897 HydrophobicContact CD2-CD2 3.62Å; L515-F897 HydrophobicContact CD2-CE1 4.41Å; L515-F897 HydrophobicContact CD2-CE2 3.3Å; L515-F897 HydrophobicContact CD2-CG 4.29Å; L515-F897 HydrophobicContact CD2-CZ 3.75Å; L515-F897 HydrophobicContact CG-CD1 4.2Å; L515-F897 HydrophobicContact CG-CD2 3.91Å; L515-F897 HydrophobicContact CG-CE1 4.17Å; L515-F897 HydrophobicContact CG-CE2 3.87Å; L515-F897 HydrophobicContact CG-CG 4.07Å; L515-F897 HydrophobicContact CG-CZ 4.01Å; E519-F897 HydrophobicContact CB-CD1 4.03Å; E519-F897 HydrophobicContact CG-CD1 3.94Å; W895-F897 HydrophobicContact CB-CD2 4Å; W895-F897 HydrophobicContact CB-CE2 3.35Å; W895-F897 HydrophobicContact CB-CZ 3.93Å; W895-F897 HydrophobicContact CD2-CE2 4.39Å; W895-F897 HydrophobicContact CD2-CZ 4.09Å; W895-F897 AromaticContact CE3-CZ 4Å; W895-F897 HydrophobicContact CE3-CZ 4Å; W895-F897 AromaticContact CG-CE2 3.91Å; W895-F897 HydrophobicContact CG-CE2 3.91Å; W895-F897 HydrophobicContact CG-CZ 4.1Å; F897-C899 PolarHBondContact O-N 3.24Å; F897-S900 CarbonylContact O-C 3.58Å; F897-S900 PolarHBondContact O-N 3.46Å; F897-F905 HydrophobicContact CD2-CB 4.24Å; F897-F905 AromaticContact CD2-CD2 3.59Å; F897-F905 HydrophobicContact CD2-CD2 3.59Å; F897-F905 HydrophobicContact CD2-CE2 4.15Å; F897-F905 HydrophobicContact CD2-CG 4.04Å; F897-F905 HydrophobicContact CE2-CB 4.15Å; F897-F905 HydrophobicContact CE2-CD2 4.32Å; F897-F905 HydrophobicContact CE2-CG 4.33Å; F897-W953 HydrophobicContact CE2-CH2 4.34Å; F897-W953 HydrophobicContact CE2-CZ3 4.13Å; F897-W953 HydrophobicContact CZ-CH2 4.34Å
898R83.2Confident87.8Confident48 Ų4826 Ų2618%0.18111%0.11CC..THydrogen-bonded Turntrans-71.6-25.2-178.6-65.5171.5-172.578.6-0.3111.7E519 C878 Y896 S900 P901E519-R898 PolarHBondContact OE1-N 2.72Å; E519-R898 IonicContact OE1-NH1 3.93Å; E519-R898 PolarHBondContact OE1-NH1 2.98Å; E519-R898 PolarHBondContact OE2-N 3.17Å; C878-R898 PolarHBondContact SG-NH2 3.12Å; Y896-R898 HydrophobicContact CE1-CG 4.23Å; R898-S900 PolarHBondContact O-N 3.17Å; R898-P901 WeakPolarHBondContact O-CD 3.37Å
899C85.6Confident87.6Confident7 Ų729.5 Ų29.55%0.04713%0.129CC..THydrogen-bonded Turntrans-66.4-11.5173.764.10000114.8T518 E519 H522 L605 F897T518-C899 HydrophobicContact CG2-CB 3.49Å; T518-C899 VanDerWaalsContact CG2-CB 3.49Å; E519-C899 PolarHBondContact OE2-N 3.42Å; E519-C899 VanDerWaalsContact OE2-N 3.1Å; H522-C899 VanDerWaalsContact CE1-CA 3.43Å; H522-C899 WeakPolarHBondContact CE1-CA 3.44Å; H522-C899 WeakPolarHBondContact CE1-CB 3.44Å; H522-C899 VanDerWaalsContact ND1-CB 3.32Å; H522-C899 WeakPolarHBondContact ND1-CB 3.44Å; L605-C899 PolarHBondContact N-O 2.91Å; F897-C899 PolarHBondContact O-N 3.24Å
900S86.5Confident87.1Confident6 Ų633.4 Ų33.44%0.04214%0.144CC..SBendtrans-144.976.4172.1-165.10000110.3F897 R898 D902 R903F897-S900 CarbonylContact O-C 3.58Å; F897-S900 PolarHBondContact O-N 3.46Å; R898-S900 PolarHBondContact O-N 3.17Å; S900-D902 PolarHBondContact O-N 3.04Å; S900-D902 PolarHBondContact OG-OD1 3.18Å; S900-R903 WeakPolarHBondContact OG-CD 3.46Å; S900-R903 VanDerWaalsContact OG-CZ 3.3Å; S900-R903 PolarHBondContact OG-NE 2.99Å; S900-R903 PolarHBondContact OG-NH2 2.84Å
901P81.8Confident86Confident18 Ų1832.4 Ų32.412%0.11715%0.151CC..THydrogen-bonded Turntrans-76.65.5-166.533.2-37.6000114.4P554 R898 L992P554-P901 HydrophobicContact CB-CB 4.12Å; R898-P901 WeakPolarHBondContact O-CD 3.37Å; P901-L992 WeakPolarHBondContact O-CD1 3.23Å
902D82.4Confident84.2Confident43 Ų4332.3 Ų32.323%0.2316%0.164CC..THydrogen-bonded Turntrans-104.1-3.7-173.760.8-24.5000113.5S900 L992 R995S900-D902 PolarHBondContact O-N 3.04Å; S900-D902 PolarHBondContact OG-OD1 3.18Å; D902-L992 VanDerWaalsContact C-CD1 3.5Å; D902-R995 HydrophobicContact CB-CG 4.29Å
903R89.1Confident82Confident65 Ų6535 Ų3525%0.24519%0.187CC..  trans-147.2159.7-175.868.7-162.184.7177.711.8113.5S900 F905 Y956 D957S900-R903 WeakPolarHBondContact OG-CD 3.46Å; S900-R903 VanDerWaalsContact OG-CZ 3.3Å; S900-R903 PolarHBondContact OG-NE 2.99Å; S900-R903 PolarHBondContact OG-NH2 2.84Å; R903-F905 HydrophobicContact CG-CD2 4.19Å; R903-F905 HydrophobicContact CG-CE1 4.48Å; R903-F905 HydrophobicContact CG-CE2 3.53Å; R903-F905 HydrophobicContact CG-CZ 3.71Å; R903-Y956 CarbonylContact C-O 3.51Å; R903-Y956 VanDerWaalsContact CA-O 3.32Å; R903-Y956 WeakPolarHBondContact CA-O 3.42Å; R903-Y956 WeakPolarHBondContact CB-O 2.77Å; R903-D957 HydrophobicContact CB-CB 4.11Å
904L92.5Very high79.4Confident0 Ų040.9 Ų40.90%022%0.217CC..EExtended strand (participates in β ladder)trans-102.2135.4167.6-65.3176.5000109.5I885 V894 Y896 F955 Y956 L962 L965 L983 F988 L992I885-L904 HydrophobicContact CD1-CD2 3.94Å; V894-L904 HydrophobicContact CG1-CB 4.37Å; V894-L904 HydrophobicContact CG1-CD1 4.38Å; Y896-L904 HydrophobicContact CD2-CD2 4.23Å; L904-F955 CarbonylContact O-C 3.48Å; L904-F955 WeakPolarHBondContact O-CA 3.34Å; L904-F955 VanDerWaalsContact O-CB 3.24Å; L904-F955 WeakPolarHBondContact O-CB 3.49Å; L904-Y956 PolarHBondContact N-O 3.12Å; L904-Y956 PolarHBondContact O-N 2.87Å; L904-L962 HydrophobicContact CD1-CD2 3.71Å; L904-L962 HydrophobicContact CG-CD2 4.14Å; L904-L965 HydrophobicContact CD1-CD2 4.21Å; L904-L983 HydrophobicContact CD1-CD2 3.8Å; L904-F988 HydrophobicContact CD2-CE1 3.99Å; L904-F988 HydrophobicContact CD2-CZ 4.09Å; L904-L992 HydrophobicContact CD1-CD2 4.26Å; L904-L992 HydrophobicContact CD2-CD2 4.12Å; L904-L992 HydrophobicContact CG-CD2 3.73Å
905F93.7Very high76.5Confident2 Ų248.7 Ų48.71%0.00926%0.259CS..EExtended strand (participates in β ladder)trans-97.3147.4176.7-67.7-94.7000110.7F511 L515 L605 V894 W895 F897 R903 W953 Y954 F955F511-F905 HydrophobicContact CE1-CD1 4.39Å; F511-F905 HydrophobicContact CE1-CE1 4.27Å; F511-F905 HydrophobicContact CZ-CD1 4.42Å; F511-F905 AromaticContact CZ-CE1 3.85Å; F511-F905 HydrophobicContact CZ-CE1 3.85Å; L515-F905 HydrophobicContact CD1-CZ 4.3Å; L515-F905 HydrophobicContact CD2-CD1 4.19Å; L515-F905 HydrophobicContact CD2-CE1 4.43Å; L515-F905 HydrophobicContact CD2-CG 4.34Å; L605-F905 HydrophobicContact CD2-CE1 4.29Å; L605-F905 HydrophobicContact CD2-CZ 3.83Å; V894-F905 CarbonylContact C-O 3.51Å; V894-F905 WeakPolarHBondContact CA-O 3.38Å; W895-F905 HydrophobicContact CB-CB 4.16Å; W895-F905 PolarHBondContact N-O 3.1Å; W895-F905 PolarHBondContact O-N 3.02Å; F897-F905 HydrophobicContact CD2-CB 4.24Å; F897-F905 AromaticContact CD2-CD2 3.59Å; F897-F905 HydrophobicContact CD2-CD2 3.59Å; F897-F905 HydrophobicContact CD2-CE2 4.15Å; F897-F905 HydrophobicContact CD2-CG 4.04Å; F897-F905 HydrophobicContact CE2-CB 4.15Å; F897-F905 HydrophobicContact CE2-CD2 4.32Å; F897-F905 HydrophobicContact CE2-CG 4.33Å; R903-F905 HydrophobicContact CG-CD2 4.19Å; R903-F905 HydrophobicContact CG-CE1 4.48Å; R903-F905 HydrophobicContact CG-CE2 3.53Å; R903-F905 HydrophobicContact CG-CZ 3.71Å; F905-W953 HydrophobicContact CB-CE3 4.14Å; F905-W953 HydrophobicContact CB-CZ3 4.02Å; F905-Y954 CarbonylContact C-O 3.45Å; F905-Y954 WeakPolarHBondContact CA-O 3.38Å; F905-F955 HydrophobicContact CD1-CB 4.41Å
906L92.2Very high73.6Confident0 Ų055.6 Ų55.60%029%0.292CS..EExtended strand (participates in β ladder)trans-123.6132178.1-73.6150000108.2P497 R892 R893 V894 W953 Y954 Y956P497-L906 HydrophobicContact CB-CD1 3.3Å; P497-L906 HydrophobicContact CG-CD1 4.05Å; R892-L906 HydrophobicContact CB-CD2 4.24Å; R893-L906 CarbonylContact O-C 3.54Å; R893-L906 WeakPolarHBondContact O-CA 3.39Å; V894-L906 HydrophobicContact CG2-CD2 3.79Å; L906-W953 WeakPolarHBondContact O-CA 3.43Å; L906-Y954 PolarHBondContact N-O 2.98Å; L906-Y954 PolarHBondContact O-N 3.35Å; L906-Y956 HydrophobicContact CD1-CD2 3.84Å; L906-Y956 HydrophobicContact CD1-CE1 4.22Å; L906-Y956 HydrophobicContact CD1-CE2 3.48Å; L906-Y956 VanDerWaalsContact CD1-CE2 3.48Å; L906-Y956 HydrophobicContact CD1-CG 4.38Å; L906-Y956 HydrophobicContact CD2-CE2 3.96Å; L906-Y956 HydrophobicContact CG-CD2 4.32Å; L906-Y956 HydrophobicContact CG-CE2 3.99Å
907E91.2Very high70.6Confident13 Ų1360 Ų606%0.06133%0.326CS..EExtended strand (participates in β ladder)trans-121.2116.2177.5-171.2-170.5-16900109.2R892 R893 W895 S951 N952 W953R892-E907 WeakPolarHBondContact CA-O 3.3Å; R893-E907 HydrophobicContact CB-CB 4.27Å; R893-E907 IonicContact CZ-OE1 2.76Å; R893-E907 IonicContact CZ-OE2 3.46Å; R893-E907 PolarHBondContact N-O 2.76Å; R893-E907 IonicContact NE-OE2 3.07Å; R893-E907 PolarHBondContact NE-OE2 3.17Å; R893-E907 IonicContact NH2-OE1 2.77Å; R893-E907 PolarHBondContact NH2-OE1 2.77Å; R893-E907 IonicContact NH2-OE2 3.89Å; R893-E907 PolarHBondContact NH2-OE2 3.4Å; R893-E907 PolarHBondContact O-N 3.32Å; W895-E907 PolarHBondContact NE1-OE2 3.32Å; E907-S951 PolarHBondContact OE1-OG 3.49Å; E907-S951 VanDerWaalsContact OE1-OG 3.13Å; E907-N952 WeakPolarHBondContact CA-O 3.37Å; E907-W953 HydrophobicContact CB-CD2 4.46Å; E907-W953 HydrophobicContact CB-CE3 4.12Å; E907-W953 HydrophobicContact CB-CH2 4.02Å; E907-W953 HydrophobicContact CB-CZ2 4.35Å; E907-W953 HydrophobicContact CB-CZ3 3.89Å; E907-W953 HydrophobicContact CG-CD2 4.39Å; E907-W953 HydrophobicContact CG-CE3 4.49Å; E907-W953 HydrophobicContact CG-CH2 4.03Å; E907-W953 HydrophobicContact CG-CZ2 3.89Å; E907-W953 HydrophobicContact CG-CZ3 4.33Å
908A86.8Confident67.7Low9 Ų965.3 Ų65.37%0.07436%0.359CS..EExtended strand (participates in β ladder)trans-104.3162.5177.100000110.9R892 W910 S951 N952 Y954R892-A908 HydrophobicContact CG-CB 3.97Å; A908-W910 VanDerWaalsContact C-N 3.3Å; A908-W910 PolarHBondContact O-N 2.95Å; A908-S951 WeakPolarHBondContact O-CA 3.34Å; A908-N952 HydrophobicContact CB-CB 4.38Å; A908-N952 PolarHBondContact N-O 2.92Å; A908-N952 PolarHBondContact O-N 3.01Å; A908-Y954 HydrophobicContact CB-CE2 4.2Å
909N81.1Confident65.2Low74 Ų7468.9 Ų68.940%0.39639%0.389SS..  trans61.127.8172.4-55.9-15.9000116A911 W950 N952N909-A911 VanDerWaalsContact C-N 3.31Å; N909-A911 PolarHBondContact O-N 3.38Å; N909-W950 CarbonylContact C-O 3.56Å; N909-W950 CarbonylContact O-C 3.55Å; N909-N952 PolarHBondContact ND2-ND2 3.3Å
910W72.2Confident62.6Low103 Ų10376.2 Ų76.239%0.3943%0.426SS..  trans-76.50.2-173.963.2-90.8000116.3Y887 Y891 R893 A908 W950Y887-W910 HydrophobicContact CE1-CZ2 4.17Å; Y891-W910 PolarHBondContact O-NE1 2.89Å; Y891-W910 VanDerWaalsContact O-NE1 3.16Å; R893-W910 HydrophobicContact CG-CD2 4.46Å; R893-W910 HydrophobicContact CG-CG 4.37Å; A908-W910 VanDerWaalsContact C-N 3.3Å; A908-W910 PolarHBondContact O-N 2.95Å; W910-W950 WeakPolarHBondContact CA-O 3.17Å
911A59.7Low59.9Low53 Ų5381.6 Ų81.644%0.43846%0.458SS..SBendtrans-127.1139.3-173.800000112.6N909N909-A911 VanDerWaalsContact C-N 3.31Å; N909-A911 PolarHBondContact O-N 3.38Å
912S45.5Very low57.5Low96 Ų9686.8 Ų86.867%0.67149%0.49SS*.  trans-67.2145-177.9-178.70000113.4E914S912-E914 VanDerWaalsContact C-N 3.33Å; S912-E914 PolarHBondContact OG-N 2.92Å
913S41.8Very low55.1Low86 Ų8693 Ų9360%0.60152%0.523SS*.SBendtrans-77.8-7.5175.3-179.30000114.2N915S913-N915 PolarHBondContact O-N 3.18Å
914E35.5Very low52.4Low173 Ų17395.1 Ų95.181%0.80855%0.547SS*.  trans-74.810.3-168.7-72.5-171.7161.500116.2S912 E916S912-E914 VanDerWaalsContact C-N 3.33Å; S912-E914 PolarHBondContact OG-N 2.92Å; E914-E916 PolarHBondContact O-N 3Å
915N32Very low49.5Very low164 Ų164102.6 Ų102.688%0.87759%0.587SS**  trans-9963.9169.4-73.1-20.4000111S913S913-N915 PolarHBondContact O-N 3.18Å
916E31.4Very low46.6Very low174 Ų174111 Ų11181%0.81363%0.626SS**  trans-80.7108.1163.5-74.2-169.3159.700109.9E914E914-E916 PolarHBondContact O-N 3Å
917S28.8Very low43.9Very low112 Ų112118 Ų11878%0.78367%0.669SS**  trans175.669.6146.5420000111.8
918V28.4Very low41.1Very low126 Ų126122.5 Ų122.576%0.76469%0.693SS**  trans-139.8108.2149.4-171.60000108.3I920V918-I920 PolarHBondContact O-N 3.25Å
919P31.9Very low38.6Very low122 Ų122126.3 Ų126.379%0.79272%0.716SS**  trans-74.4112.4179.128.8-29.3000109.2
920I31.1Very low36.1Very low162 Ų162129.9 Ų129.983%0.83173%0.731SS**  trans-92106.6171-61.9177000107.8V918V918-I920 PolarHBondContact O-N 3.25Å
921T29.2Very low34.4Very low118 Ų118127.2 Ų127.272%0.72473%0.727SS**  trans-65.8122.5174.28.30000111.4
922T32Very low33.3Very low127 Ų127126.5 Ų126.578%0.77972%0.721SS**  trans24.598.6145.756.10000117.8
923L31.6Very low33Very low175 Ų175127.3 Ų127.392%0.91671%0.714SS**  trans-143.2130.8149.3-88.3170.3000109.7
924S31.5Very low32.6Very low108 Ų108126.6 Ų126.676%0.75571%0.706SS**  trans-69.7148.1-171.446.80000114.9
925D31.8Very low32.6Very low158 Ų158127.1 Ų127.185%0.84571%0.706SS**  trans25.9103.8153.2-76.5-25.2000118.7
926E33.2Very low32.7Very low177 Ų177124.5 Ų124.583%0.82770%0.696SS**  -176124.5120.8-88.2-9716100106.8I928E926-I928 PolarHBondContact O-N 3.4Å
927T34.3Very low32.8Very low148 Ų148125.4 Ų125.491%0.90870%0.697SS**  trans-52.190.9-162.3-70000115.7
928I32.8Very low33Very low108 Ų108126.4 Ų126.455%0.55469%0.694SS**  trans-97.5125.2163.6-61.1172.3000108T486 E926 Q930T486-I928 HydrophobicContact CG2-CD1 3.98Å; E926-I928 PolarHBondContact O-N 3.4Å; I928-Q930 PolarHBondContact O-N 3Å; I928-Q930 VanDerWaalsContact O-N 3.11Å
929P35.1Very low33.2Very low88 Ų88126.9 Ų126.957%0.57169%0.692SS**  trans-65.7115.3178.9-12.826.1000109.9Y890Y890-P929 HydrophobicContact CE1-CB 4.43Å
930Q28.9Very low33.4Very low149 Ų149127.5 Ų127.570%0.69669%0.694SS**  trans-66.6153.3173.6-73-173.6-3.300111.1I928I928-Q930 PolarHBondContact O-N 3Å; I928-Q930 VanDerWaalsContact O-N 3.11Å
931P34.9Very low33.4Very low47 Ų47128.1 Ų128.131%0.30570%0.698SS.*  trans-56.1143.3-177-23.233.7000112.9Y891 H933 T934Y891-P931 HydrophobicContact CD2-CB 4.24Å; Y891-P931 HydrophobicContact CE2-CB 4.3Å; Y891-P931 HydrophobicContact CE2-CG 4.36Å; P931-H933 WeakPolarHBondContact CB-CE1 3.43Å; P931-H933 PolarHBondContact O-N 3.01Å; P931-T934 PolarHBondContact O-N 3.5Å; P931-T934 VanDerWaalsContact O-N 3.07Å; P931-T934 PolarHBondContact O-OG1 2.91Å; P931-T934 VanDerWaalsContact O-OG1 3.08Å
932A38.4Very low33.5Very low39 Ų39130.2 Ų130.232%0.32270%0.704SS.*G310 helixtrans-57.6-13.9-173.300000115.8
933H39.3Very low33.5Very low113 Ų113127.4 Ų127.452%0.52370%0.701SS.*G310 helixtrans-80.4-12.4177.462.6-94000114.4P931P931-H933 WeakPolarHBondContact CB-CE1 3.43Å; P931-H933 PolarHBondContact O-N 3.01Å
934T33.2Very low33.5Very low71 Ų71126.5 Ų126.544%0.43670%0.697SS.*G310 helixtrans-96.67.7-179.652.50000114.8P931 V936P931-T934 PolarHBondContact O-N 3.5Å; P931-T934 VanDerWaalsContact O-N 3.07Å; P931-T934 PolarHBondContact O-OG1 2.91Å; P931-T934 VanDerWaalsContact O-OG1 3.08Å; T934-V936 PolarHBondContact O-N 3.24Å
935F34.5Very low33.5Very low183 Ų183128.3 Ų128.380%0.80370%0.704SS**  trans-90.774.3179.1-119.8-81.3000112.2
936V33.6Very low33.6Very low110 Ų110128.5 Ų128.567%0.66770%0.703SS**  trans-140.375152.9-170.70000108.3T934 N938T934-V936 PolarHBondContact O-N 3.24Å; V936-N938 VanDerWaalsContact CG1-OD1 3.28Å; V936-N938 WeakPolarHBondContact CG1-OD1 3.41Å; V936-N938 PolarHBondContact O-N 3.05Å
937K34Very low33.8Very low193 Ų193124.2 Ų124.284%0.83969%0.693SS**  trans-88.497.9159.9-80-169.6176.7-174.60107.4D939K937-D939 PolarHBondContact O-N 3.33Å
938N32.3Very low34.2Very low133 Ų133122.2 Ų122.271%0.71169%0.685SS**  trans-68.779.1170.9-73.6-23.8000109.4V936V936-N938 VanDerWaalsContact CG1-OD1 3.28Å; V936-N938 WeakPolarHBondContact CG1-OD1 3.41Å; V936-N938 PolarHBondContact O-N 3.05Å
939D33.9Very low35Very low136 Ų136118 Ų11873%0.72766%0.664SS**  trans-123111.2163.4-80.6-41.5000109K937K937-D939 PolarHBondContact O-N 3.33Å
940T36.6Very low36.3Very low135 Ų135124.4 Ų124.483%0.82868%0.678SS**SBendtrans63.868.7167.255.10000117.1
941L29.7Very low38.6Very low174 Ų174118.2 Ų118.291%0.91165%0.65SS**  trans-145121.5146.3-101140.9000108.5G943L941-G943 PolarHBondContact O-N 3.38Å
942N31.9Very low41Very low162 Ų162117.4 Ų117.487%0.86664%0.644SS**  trans-37.6126.8-179.2-72.9-27000111.9N944N942-N944 PolarHBondContact O-N 3.34Å
943G32.2Very low43.5Very low69 Ų69116.3 Ų116.371%0.71163%0.631SS**SBendtrans-53.611318000000111L941L941-G943 PolarHBondContact O-N 3.38Å
944N30.4Very low46Very low155 Ų155113.6 Ų113.683%0.82962%0.617SS**  trans170.879.7149.4-86.7-12.5000109.3N942N942-N944 PolarHBondContact O-N 3.34Å
945T31.5Very low48.8Very low146 Ų146111.4 Ų111.490%0.89660%0.601SS**  trans161.376.3146.730.80000109.8S947T945-S947 PolarHBondContact O-N 2.89Å; T945-S947 VanDerWaalsContact O-N 3.16Å
946I34.3Very low51.6Low163 Ų163102.7 Ų102.784%0.83656%0.563SS**  trans-72.1104.9156.5-62.3171.6000104.8S948I946-S948 PolarHBondContact O-N 3.15Å
947S38.3Very low54.1Low87 Ų8799.1 Ų99.161%0.60854%0.54SS*.  trans-58.4112.1176.4-173.80000108.7T945 S949T945-S947 PolarHBondContact O-N 2.89Å; T945-S947 VanDerWaalsContact O-N 3.16Å; S947-S949 PolarHBondContact O-N 2.91Å; S947-S949 PolarHBondContact OG-OG 2.77Å
948S42.6Very low56.7Low105 Ų10596.3 Ų96.373%0.73452%0.524SS*.  trans-739.8-179.170.90000113.6I946I946-S948 PolarHBondContact O-N 3.15Å
949S50.2Low59.4Low19 Ų1990 Ų9013%0.13349%0.491CS..  trans-81.9117.2-178.558.30000111.2S947 S951 N952S947-S949 PolarHBondContact O-N 2.91Å; S947-S949 PolarHBondContact OG-OG 2.77Å; S949-S951 PolarHBondContact O-N 2.83Å; S949-S951 VanDerWaalsContact O-N 3.14Å; S949-N952 PolarHBondContact OG-OD1 3.21Å
950W61.5Low62Low224 Ų22489.4 Ų89.485%0.84848%0.484SS*.SBendtrans-69.91.5174-61.2-19.9000114N909 W910N909-W950 CarbonylContact C-O 3.56Å; N909-W950 CarbonylContact O-C 3.55Å; W910-W950 WeakPolarHBondContact CA-O 3.17Å
951S76.2Confident64.5Low18 Ų1884.1 Ų84.113%0.12645%0.449CS..  trans-158.3136.8-178.5-65.80000110.9E907 A908 S949E907-S951 PolarHBondContact OE1-OG 3.49Å; E907-S951 VanDerWaalsContact OE1-OG 3.13Å; A908-S951 WeakPolarHBondContact O-CA 3.34Å; S949-S951 PolarHBondContact O-N 2.83Å; S949-S951 VanDerWaalsContact O-N 3.14Å
952N85.8Confident67.5Low31 Ų3175.8 Ų75.817%0.16641%0.406CS..EExtended strand (participates in β ladder)trans-111.9129.3174.4-66.3-9.5000111.4E508 E907 A908 N909 S949 Y954E508-N952 WeakPolarHBondContact OE2-CA 3.46Å; E508-N952 WeakPolarHBondContact OE2-CB 3.4Å; E907-N952 WeakPolarHBondContact CA-O 3.37Å; A908-N952 HydrophobicContact CB-CB 4.38Å; A908-N952 PolarHBondContact N-O 2.92Å; A908-N952 PolarHBondContact O-N 3.01Å; N909-N952 PolarHBondContact ND2-ND2 3.3Å; S949-N952 PolarHBondContact OG-OD1 3.21Å; N952-Y954 HydrophobicContact CB-CE2 3.87Å
953W90.8Very high70.3Confident16 Ų1671 Ų716%0.06138%0.38CS..EExtended strand (participates in β ladder)trans-106.7131.5-171.3-69.994.7000113.6L500 E508 F511 L515 W895 F897 F905 L906 E907L500-W953 HydrophobicContact CD2-CB 4.19Å; E508-W953 PolarHBondContact OE2-N 3.43Å; F511-W953 HydrophobicContact CD1-CB 3.97Å; F511-W953 AromaticContact CD1-CD1 3.83Å; F511-W953 HydrophobicContact CD1-CD2 4.2Å; F511-W953 AromaticContact CD1-CG 3.72Å; F511-W953 HydrophobicContact CD1-CG 3.72Å; F511-W953 HydrophobicContact CE1-CB 4.08Å; F511-W953 HydrophobicContact CE1-CD2 4.2Å; F511-W953 HydrophobicContact CE1-CG 4.01Å; L515-W953 HydrophobicContact CD2-CE3 4.28Å; L515-W953 HydrophobicContact CD2-CH2 4.1Å; L515-W953 HydrophobicContact CD2-CZ3 3.92Å; W895-W953 AromaticContact CD1-CZ3 3.87Å; W895-W953 HydrophobicContact CG-CZ3 4.43Å; F897-W953 HydrophobicContact CE2-CH2 4.34Å; F897-W953 HydrophobicContact CE2-CZ3 4.13Å; F897-W953 HydrophobicContact CZ-CH2 4.34Å; F905-W953 HydrophobicContact CB-CE3 4.14Å; F905-W953 HydrophobicContact CB-CZ3 4.02Å; L906-W953 WeakPolarHBondContact O-CA 3.43Å; E907-W953 HydrophobicContact CB-CD2 4.46Å; E907-W953 HydrophobicContact CB-CE3 4.12Å; E907-W953 HydrophobicContact CB-CH2 4.02Å; E907-W953 HydrophobicContact CB-CZ2 4.35Å; E907-W953 HydrophobicContact CB-CZ3 3.89Å; E907-W953 HydrophobicContact CG-CD2 4.39Å; E907-W953 HydrophobicContact CG-CE3 4.49Å; E907-W953 HydrophobicContact CG-CH2 4.03Å; E907-W953 HydrophobicContact CG-CZ2 3.89Å; E907-W953 HydrophobicContact CG-CZ3 4.33Å
954Y92.3Very high73.1Confident55 Ų5572.2 Ų72.222%0.21637%0.367CS..EExtended strand (participates in β ladder)trans-135.2172.3174.9-49.4-104.5000109.9P497 S498 K499 F905 L906 A908 N952P497-Y954 HydrophobicContact CB-CG 4.47Å; P497-Y954 HydrophobicContact CG-CD1 4.03Å; P497-Y954 HydrophobicContact CG-CG 4.14Å; S498-Y954 WeakPolarHBondContact O-CA 3.37Å; S498-Y954 WeakPolarHBondContact O-CB 3.42Å; K499-Y954 HydrophobicContact CG-CD1 4.04Å; K499-Y954 HydrophobicContact CG-CE1 3.93Å; F905-Y954 CarbonylContact C-O 3.45Å; F905-Y954 WeakPolarHBondContact CA-O 3.38Å; L906-Y954 PolarHBondContact N-O 2.98Å; L906-Y954 PolarHBondContact O-N 3.35Å; A908-Y954 HydrophobicContact CB-CE2 4.2Å; N952-Y954 HydrophobicContact CB-CE2 3.87Å
955F92.9Very high76Confident26 Ų2664.9 Ų64.911%0.11433%0.328CS..EExtended strand (participates in β ladder)trans-146158.2174.260.9-90.3000114.3S498 K499 L500 L904 F905 D957S498-F955 WeakPolarHBondContact CB-O 3.43Å; S498-F955 PolarHBondContact N-O 2.98Å; S498-F955 PolarHBondContact O-N 3.48Å; K499-F955 WeakPolarHBondContact O-CE1 3.31Å; L500-F955 HydrophobicContact CD1-CD1 4.2Å; L500-F955 HydrophobicContact CD1-CE1 4.06Å; L904-F955 CarbonylContact O-C 3.48Å; L904-F955 WeakPolarHBondContact O-CA 3.34Å; L904-F955 VanDerWaalsContact O-CB 3.24Å; L904-F955 WeakPolarHBondContact O-CB 3.49Å; F905-F955 HydrophobicContact CD1-CB 4.41Å; F955-D957 HydrophobicContact CD2-CB 3.88Å; F955-D957 HydrophobicContact CE2-CB 4Å
956Y92.5Very high78.8Confident0 Ų058.8 Ų58.80%029%0.29CS..EExtended strand (participates in β ladder)trans-110.9118.3163.2-60.2-62000109P495 P497 R903 L904 L906 Q961 L965P495-Y956 HydrophobicContact CB-CE1 4.12Å; P495-Y956 HydrophobicContact CG-CE1 3.73Å; P495-Y956 PolarHBondContact O-OH 3.46Å; P497-Y956 HydrophobicContact CB-CD1 4.21Å; P497-Y956 HydrophobicContact CB-CE1 3.71Å; R903-Y956 CarbonylContact C-O 3.51Å; R903-Y956 VanDerWaalsContact CA-O 3.32Å; R903-Y956 WeakPolarHBondContact CA-O 3.42Å; R903-Y956 WeakPolarHBondContact CB-O 2.77Å; L904-Y956 PolarHBondContact N-O 3.12Å; L904-Y956 PolarHBondContact O-N 2.87Å; L906-Y956 HydrophobicContact CD1-CD2 3.84Å; L906-Y956 HydrophobicContact CD1-CE1 4.22Å; L906-Y956 HydrophobicContact CD1-CE2 3.48Å; L906-Y956 VanDerWaalsContact CD1-CE2 3.48Å; L906-Y956 HydrophobicContact CD1-CG 4.38Å; L906-Y956 HydrophobicContact CD2-CE2 3.96Å; L906-Y956 HydrophobicContact CG-CD2 4.32Å; L906-Y956 HydrophobicContact CG-CE2 3.99Å; Y956-Q961 HydrophobicContact CD1-CB 4.06Å; Y956-L965 HydrophobicContact CD2-CD2 3.68Å; Y956-L965 HydrophobicContact CE2-CD1 3.85Å; Y956-L965 HydrophobicContact CE2-CD2 3.61Å; Y956-L965 HydrophobicContact CE2-CG 4.22Å
957D85.7Confident81.4Confident34 Ų3456.6 Ų56.618%0.18228%0.28CS..  trans-118.1-35.5177.963.1-33.3000112R903 F955 Q961 W996R903-D957 HydrophobicContact CB-CB 4.11Å; F955-D957 HydrophobicContact CD2-CB 3.88Å; F955-D957 HydrophobicContact CE2-CB 4Å; D957-Q961 PolarHBondContact OD1-OE1 3.21Å; D957-W996 PolarHBondContact O-NE1 2.94Å
958R88.7Confident83.8Confident134 Ų13452.9 Ų52.951%0.50625%0.254SS..SBendtrans-72.6134.5-175.3-59.7175-171.7174.11.9112.1E960 Q961 L962 W996R958-E960 PolarHBondContact O-N 3.48Å; R958-E960 VanDerWaalsContact O-N 3.15Å; R958-Q961 HydrophobicContact CB-CB 4.27Å; R958-Q961 HydrophobicContact CB-CG 4.11Å; R958-Q961 WeakPolarHBondContact O-CB 3.36Å; R958-Q961 PolarHBondContact O-N 3.38Å; R958-L962 WeakPolarHBondContact O-CG 3.05Å; R958-L962 PolarHBondContact O-N 3.12Å; R958-W996 HydrophobicContact CG-CZ2 4.2Å
959P88.5Confident86Confident2 Ų248.1 Ų48.11%0.01322%0.22CC..Hα-helixtrans-54.8-35177.9-26.434.2000113.3L962 D963 K993 W996 K997P959-L962 PolarHBondContact O-N 3.3Å; P959-D963 PolarHBondContact O-N 2.83Å; P959-K993 HydrophobicContact CB-CB 4.48Å; P959-K993 HydrophobicContact CB-CD 4.29Å; P959-K993 HydrophobicContact CB-CG 4.02Å; P959-W996 VanDerWaalsContact CD-CD2 3.48Å; P959-W996 HydrophobicContact CG-CD2 3.85Å; P959-W996 HydrophobicContact CG-CE3 3.2Å; P959-W996 HydrophobicContact CG-CH2 4.2Å; P959-W996 HydrophobicContact CG-CZ3 3.42Å; P959-W996 VanDerWaalsContact CG-CZ3 3.42Å; P959-K997 HydrophobicContact CG-CG 4.43Å
960E88.7Confident87.5Confident123 Ų12348.5 Ų48.558%0.57522%0.221SC*.Hα-helixtrans-67-44.5178.2-58.771-150.500111R958 L962 D963 E964R958-E960 PolarHBondContact O-N 3.48Å; R958-E960 VanDerWaalsContact O-N 3.15Å; E960-L962 VanDerWaalsContact C-N 3.31Å; E960-L962 PolarHBondContact O-N 3.07Å; E960-D963 PolarHBondContact O-N 3.18Å; E960-E964 WeakPolarHBondContact O-CB 3.42Å; E960-E964 PolarHBondContact O-N 2.65Å
961Q90.8Very high88.2Confident23 Ų2342.9 Ų42.911%0.10721%0.211CC..Hα-helixtrans-62.4-39.2174.5-74.7174.7-43.500111.4E496 S498 Y956 D957 R958 E964 L965E496-Q961 PolarHBondContact O-NE2 2.72Å; S498-Q961 PolarHBondContact OG-NE2 2.63Å; Y956-Q961 HydrophobicContact CD1-CB 4.06Å; D957-Q961 PolarHBondContact OD1-OE1 3.21Å; R958-Q961 HydrophobicContact CB-CB 4.27Å; R958-Q961 HydrophobicContact CB-CG 4.11Å; R958-Q961 WeakPolarHBondContact O-CB 3.36Å; R958-Q961 PolarHBondContact O-N 3.38Å; Q961-E964 PolarHBondContact O-N 3.36Å; Q961-L965 VanDerWaalsContact O-CB 3.28Å; Q961-L965 WeakPolarHBondContact O-CB 3.42Å; Q961-L965 PolarHBondContact O-N 3.3Å
962L91.3Very high87.8Confident0 Ų050.7 Ų50.70%024%0.238CC..Hα-helixtrans-65.9-40.6177.9-70.5174.8000112.4L904 R958 P959 E960 L966 L989 L992 K993L904-L962 HydrophobicContact CD1-CD2 3.71Å; L904-L962 HydrophobicContact CG-CD2 4.14Å; R958-L962 WeakPolarHBondContact O-CG 3.05Å; R958-L962 PolarHBondContact O-N 3.12Å; P959-L962 PolarHBondContact O-N 3.3Å; E960-L962 VanDerWaalsContact C-N 3.31Å; E960-L962 PolarHBondContact O-N 3.07Å; L962-L966 WeakPolarHBondContact O-CB 2.9Å; L962-L966 PolarHBondContact O-N 3.32Å; L962-L966 VanDerWaalsContact O-N 3.1Å; L962-L989 HydrophobicContact CB-CD1 3.88Å; L962-L989 HydrophobicContact CB-CG 4.45Å; L962-L989 HydrophobicContact CD1-CD1 4.38Å; L962-L989 HydrophobicContact CD2-CD1 3.99Å; L962-L989 HydrophobicContact CG-CD1 4.3Å; L962-L992 HydrophobicContact CD1-CD2 3.58Å; L962-L992 HydrophobicContact CD1-CG 3.97Å; L962-L992 HydrophobicContact CD2-CD2 3.74Å; L962-L992 HydrophobicContact CG-CD2 4.33Å; L962-K993 HydrophobicContact CD1-CG 3.97Å
963D91.2Very high86.9Confident60 Ų6050 Ų5032%0.32124%0.238SC..Hα-helixtrans-68.1-43.4174.3-86.7-43.9000112.3P959 E960 L966 N967 K993P959-D963 PolarHBondContact O-N 2.83Å; E960-D963 PolarHBondContact O-N 3.18Å; D963-L966 PolarHBondContact O-N 2.86Å; D963-N967 WeakPolarHBondContact O-CB 3.4Å; D963-N967 VanDerWaalsContact O-CG 3.23Å; D963-N967 PolarHBondContact O-N 2.82Å; D963-N967 PolarHBondContact O-ND2 3.18Å; D963-K993 WeakPolarHBondContact OD1-CE 3.1Å; D963-K993 IonicContact OD1-NZ 2.92Å; D963-K993 PolarHBondContact OD1-NZ 3.38Å; D963-K993 VanDerWaalsContact OD2-CE 3.29Å; D963-K993 WeakPolarHBondContact OD2-CE 3.44Å; D963-K993 IonicContact OD2-NZ 3.29Å; D963-K993 PolarHBondContact OD2-NZ 3.17Å
964E90.8Very high85.8Confident95 Ų9553.5 Ų53.544%0.44426%0.261SS..Hα-helixtrans-61.6-44175.7-169-179.8170.500111.1P495 E960 Q961 L966 N967 S968P495-E964 HydrophobicContact CB-CB 4.13Å; P495-E964 HydrophobicContact CB-CG 4.05Å; P495-E964 HydrophobicContact CG-CB 4.26Å; P495-E964 HydrophobicContact CG-CG 4.33Å; E960-E964 WeakPolarHBondContact O-CB 3.42Å; E960-E964 PolarHBondContact O-N 2.65Å; Q961-E964 PolarHBondContact O-N 3.36Å; E964-L966 PolarHBondContact O-N 3.14Å; E964-N967 PolarHBondContact O-N 2.63Å; E964-S968 WeakPolarHBondContact O-CB 3.43Å; E964-S968 PolarHBondContact O-N 3.06Å; E964-S968 PolarHBondContact O-OG 2.9Å
965L91.8Very high84.9Confident1 Ų153 Ų531%0.00526%0.259CS..Hα-helixtrans-55.9-52.7174.6176.466.4000110.6L494 P495 L904 Y956 Q961 N967 S968 L969 L983L494-L965 HydrophobicContact CD2-CD1 4.26Å; P495-L965 HydrophobicContact CG-CB 3.82Å; P495-L965 HydrophobicContact CG-CD1 4.45Å; L904-L965 HydrophobicContact CD1-CD2 4.21Å; Y956-L965 HydrophobicContact CD2-CD2 3.68Å; Y956-L965 HydrophobicContact CE2-CD1 3.85Å; Y956-L965 HydrophobicContact CE2-CD2 3.61Å; Y956-L965 HydrophobicContact CE2-CG 4.22Å; Q961-L965 VanDerWaalsContact O-CB 3.28Å; Q961-L965 WeakPolarHBondContact O-CB 3.42Å; Q961-L965 PolarHBondContact O-N 3.3Å; L965-N967 VanDerWaalsContact C-N 3.28Å; L965-N967 PolarHBondContact O-N 2.87Å; L965-S968 PolarHBondContact O-N 3.43Å; L965-L969 HydrophobicContact CD1-CD1 4.28Å; L965-L969 HydrophobicContact CD1-CD2 4.5Å; L965-L969 HydrophobicContact CD1-CG 4.29Å; L965-L969 HydrophobicContact CG-CD1 4.17Å; L965-L969 VanDerWaalsContact O-CG 3.24Å; L965-L969 WeakPolarHBondContact O-CG 3.4Å; L965-L969 PolarHBondContact O-N 3.4Å; L965-L969 VanDerWaalsContact O-N 3.15Å; L965-L983 HydrophobicContact CD2-CD1 3.98Å; L965-L983 HydrophobicContact CG-CD1 4.34Å
966L90.2Very high84.4Confident19 Ų1952 Ų5210%0.09926%0.255CS..Hα-helixtrans-59.3-41.1-178.9175.263.2000111.9L962 D963 E964 K980 L983 L984 L989L962-L966 WeakPolarHBondContact O-CB 2.9Å; L962-L966 PolarHBondContact O-N 3.32Å; L962-L966 VanDerWaalsContact O-N 3.1Å; D963-L966 PolarHBondContact O-N 2.86Å; E964-L966 PolarHBondContact O-N 3.14Å; L966-K980 HydrophobicContact CD1-CG 4.05Å; L966-K980 WeakPolarHBondContact O-CE 3.46Å; L966-K980 PolarHBondContact O-NZ 2.77Å; L966-L983 HydrophobicContact CD1-CB 4.36Å; L966-L984 HydrophobicContact CD1-CD1 4.2Å; L966-L984 HydrophobicContact CD1-CD2 3.72Å; L966-L984 HydrophobicContact CD1-CG 3.67Å; L966-L984 HydrophobicContact CD2-CD2 3.67Å; L966-L984 HydrophobicContact CG-CD2 4.28Å; L966-L989 HydrophobicContact CB-CD2 3.92Å; L966-L989 HydrophobicContact CD2-CD2 3.6Å; L966-L989 HydrophobicContact CG-CD2 4.29Å
967N89.6Confident83.9Confident116 Ų11653.5 Ų53.562%0.6227%0.265SS*.Hα-helixtrans-71.6-37.9-179-71.5-35.3000112.4D963 E964 L965D963-N967 WeakPolarHBondContact O-CB 3.4Å; D963-N967 VanDerWaalsContact O-CG 3.23Å; D963-N967 PolarHBondContact O-N 2.82Å; D963-N967 PolarHBondContact O-ND2 3.18Å; E964-N967 PolarHBondContact O-N 2.63Å; L965-N967 VanDerWaalsContact C-N 3.28Å; L965-N967 PolarHBondContact O-N 2.87Å
968S88.6Confident83.8Confident10 Ų1056.6 Ų56.67%0.0728%0.278CS..Hα-helixtrans-76.7-22.6-178.4-66.20000114.1R493 R889 E964 L965R493-S968 WeakPolarHBondContact O-CB 3.35Å; R493-S968 PolarHBondContact O-OG 3.1Å; R889-S968 PolarHBondContact NH2-O 2.96Å; E964-S968 WeakPolarHBondContact O-CB 3.43Å; E964-S968 PolarHBondContact O-N 3.06Å; E964-S968 PolarHBondContact O-OG 2.9Å; L965-S968 PolarHBondContact O-N 3.43Å
969L88.5Confident83.8Confident4 Ų450.2 Ų50.22%0.02125%0.254CS..SBendtrans-67.1139.6178.6-72.1167.4000113.2L494 L965 E976 L979 K980 L983L494-L969 HydrophobicContact CD2-CD2 4.35Å; L965-L969 HydrophobicContact CD1-CD1 4.28Å; L965-L969 HydrophobicContact CD1-CD2 4.5Å; L965-L969 HydrophobicContact CD1-CG 4.29Å; L965-L969 HydrophobicContact CG-CD1 4.17Å; L965-L969 VanDerWaalsContact O-CG 3.24Å; L965-L969 WeakPolarHBondContact O-CG 3.4Å; L965-L969 PolarHBondContact O-N 3.4Å; L965-L969 VanDerWaalsContact O-N 3.15Å; L969-E976 WeakPolarHBondContact CA-OE2 3.46Å; L969-E976 HydrophobicContact CD2-CB 3.94Å; L969-E976 HydrophobicContact CD2-CG 3.95Å; L969-L979 HydrophobicContact CD1-CD2 3.93Å; L969-L979 HydrophobicContact CD1-CG 3.87Å; L969-L979 HydrophobicContact CD2-CD2 3.84Å; L969-K980 HydrophobicContact CB-CB 4.03Å; L969-K980 HydrophobicContact CB-CD 3.9Å; L969-K980 HydrophobicContact CB-CG 4.28Å; L969-K980 HydrophobicContact CD1-CB 4.2Å; L969-K980 WeakPolarHBondContact O-CD 3.41Å; L969-K980 PolarHBondContact O-NZ 2.81Å; L969-L983 HydrophobicContact CD1-CD1 3.82Å
970L80.7Confident83.9Confident27 Ų2751.5 Ų51.514%0.14126%0.26CS..  trans-73.8139.3178.4-61.5172.4000111.5L484 M485 L488 E976L484-L970 HydrophobicContact CD2-CB 4.42Å; L484-L970 HydrophobicContact CD2-CD1 3.81Å; M485-L970 HydrophobicContact SD-CD1 4.17Å; L488-L970 HydrophobicContact CD1-CD2 3.59Å; L970-E976 HydrophobicContact CB-CB 4.38Å; L970-E976 WeakPolarHBondContact CB-OE2 3.15Å; L970-E976 WeakPolarHBondContact CG-OE2 3.26Å; L970-E976 PolarHBondContact N-OE2 2.71Å
971T76.5Confident83.7Confident106 Ų10649.2 Ų49.265%0.6526%0.257SS*.SBendtrans-84-14.1176.5520000113.2K980T971-K980 HydrophobicContact CG2-CD 3.88Å
972R67.6Low83.4Confident182 Ų18250.4 Ų50.469%0.68726%0.262SS*.SBendtrans-121156.7179.8-62.4-175.6-179.5-179.41.2109.4L484L484-R972 HydrophobicContact CD1-CB 4.42Å; L484-R972 HydrophobicContact CD2-CB 4.15Å; L484-R972 WeakPolarHBondContact CD2-O 3.35Å
973G67.3Low83.3Confident16 Ų1650.4 Ų50.417%0.16526%0.263CS..SBendtrans97.2152.7-174.200000112.1S977G973-S977 WeakPolarHBondContact O-CB 3.3Å; G973-S977 PolarHBondContact O-OG 2.78Å
974V67.9Low83Confident91 Ų9152.4 Ų52.455%0.55227%0.273SS*.THydrogen-bonded Turntrans-78.7-22.3-176.6-73.20000113N476N476-V974 HydrophobicContact CB-CG1 4.24Å; N476-V974 WeakPolarHBondContact O-CG1 3.32Å
975R73.7Confident82.4Confident45 Ų4549.5 Ų49.517%0.1727%0.265CS..THydrogen-bonded Turntrans-72.1-65-175.4-172.2-168.9-47.6-165.41113.2D481 D888 R889 Y891D481-R975 WeakPolarHBondContact OD2-CB 3.48Å; D481-R975 IonicContact OD2-CZ 3.39Å; D481-R975 IonicContact OD2-NE 3.45Å; D481-R975 PolarHBondContact OD2-NE 2.83Å; D481-R975 IonicContact OD2-NH2 2.75Å; D481-R975 PolarHBondContact OD2-NH2 3.27Å; D888-R975 WeakPolarHBondContact O-CD 3.15Å; R889-R975 PolarHBondContact O-NH1 3.4Å; Y891-R975 VanDerWaalsContact OH-CZ 3.24Å; Y891-R975 PolarHBondContact OH-NH2 3.05Å
976E83.2Confident81.5Confident5 Ų555.5 Ų55.52%0.02330%0.297CS..Hα-helixtrans-91.9-24.4-172-64.6-168.3159.900113.9R889 L969 L970 H978 L979 K980R889-E976 WeakPolarHBondContact CA-OE1 3.19Å; R889-E976 WeakPolarHBondContact CB-OE1 3.25Å; R889-E976 IonicContact CZ-OE1 3.9Å; R889-E976 PolarHBondContact N-OE1 3.45Å; R889-E976 IonicContact NE-OE1 3.32Å; R889-E976 PolarHBondContact NE-OE1 3.31Å; R889-E976 IonicContact NH2-OE1 2.87Å; R889-E976 IonicContact NH2-OE2 3.84Å; L969-E976 WeakPolarHBondContact CA-OE2 3.46Å; L969-E976 HydrophobicContact CD2-CB 3.94Å; L969-E976 HydrophobicContact CD2-CG 3.95Å; L970-E976 HydrophobicContact CB-CB 4.38Å; L970-E976 WeakPolarHBondContact CB-OE2 3.15Å; L970-E976 WeakPolarHBondContact CG-OE2 3.26Å; L970-E976 PolarHBondContact N-OE2 2.71Å; E976-H978 PolarHBondContact O-N 2.84Å; E976-L979 WeakPolarHBondContact O-CB 3.15Å; E976-L979 PolarHBondContact O-N 3.21Å; E976-L979 VanDerWaalsContact O-N 3.15Å; E976-K980 PolarHBondContact O-N 2.64Å
977S81.3Confident80.8Confident30 Ų3056.2 Ų56.221%0.2131%0.309CS..Hα-helixtrans-63.5-32.5-173.370.40000112.7G973 S981G973-S977 WeakPolarHBondContact O-CB 3.3Å; G973-S977 PolarHBondContact O-OG 2.78Å; S977-S981 VanDerWaalsContact O-CB 3.31Å; S977-S981 WeakPolarHBondContact O-CB 3.34Å; S977-S981 PolarHBondContact O-N 2.79Å; S977-S981 PolarHBondContact O-OG 2.93Å
978H82.8Confident80.5Confident99 Ų9951.5 Ų51.546%0.45828%0.283SS..Hα-helixtrans-66.1-48.8175.4-167.869.8000111I885 E976 K980 S981 Q982I885-H978 PolarHBondContact O-CD2 3.3Å; I885-H978 VanDerWaalsContact O-CD2 3.25Å; E976-H978 PolarHBondContact O-N 2.84Å; H978-K980 PolarHBondContact O-N 2.88Å; H978-S981 PolarHBondContact O-N 3.13Å; H978-Q982 PolarHBondContact CE1-NE2 3.36Å; H978-Q982 VanDerWaalsContact CE1-NE2 3.25Å; H978-Q982 PolarHBondContact NE2-NE2 2.98Å; H978-Q982 VanDerWaalsContact NE2-NE2 3.15Å; H978-Q982 WeakPolarHBondContact O-CG 3.29Å; H978-Q982 PolarHBondContact O-N 3.36Å
979L88.9Confident80.3Confident0 Ų051.3 Ų51.30%028%0.281CS..Hα-helixtrans-57-49.3176.9177.558.6000110.9I885 V894 L969 E976 S981 Q982 L983I885-L979 HydrophobicContact CB-CD1 4.17Å; I885-L979 HydrophobicContact CG2-CD1 3.85Å; V894-L979 HydrophobicContact CB-CD1 3.85Å; V894-L979 HydrophobicContact CB-CD2 4.32Å; V894-L979 HydrophobicContact CG1-CD1 4.02Å; V894-L979 HydrophobicContact CG2-CD1 4.12Å; V894-L979 HydrophobicContact CG2-CD2 3.66Å; L969-L979 HydrophobicContact CD1-CD2 3.93Å; L969-L979 HydrophobicContact CD1-CG 3.87Å; L969-L979 HydrophobicContact CD2-CD2 3.84Å; E976-L979 WeakPolarHBondContact O-CB 3.15Å; E976-L979 PolarHBondContact O-N 3.21Å; E976-L979 VanDerWaalsContact O-N 3.15Å; L979-S981 VanDerWaalsContact C-N 3.32Å; L979-S981 PolarHBondContact O-N 2.96Å; L979-Q982 PolarHBondContact O-N 3.24Å; L979-L983 HydrophobicContact CD1-CD1 4.23Å; L979-L983 HydrophobicContact CD1-CG 4.21Å; L979-L983 HydrophobicContact CG-CD1 4.25Å; L979-L983 WeakPolarHBondContact O-CG 3.19Å; L979-L983 PolarHBondContact O-N 3.1Å
980K90Very high80.2Confident30 Ų3056.8 Ų56.813%0.1331%0.306CS..Hα-helixtrans-60.1-42.3178.2-172.6164.5-173.71360112.4L966 L969 T971 E976 H978 L983 L984L966-K980 HydrophobicContact CD1-CG 4.05Å; L966-K980 WeakPolarHBondContact O-CE 3.46Å; L966-K980 PolarHBondContact O-NZ 2.77Å; L969-K980 HydrophobicContact CB-CB 4.03Å; L969-K980 HydrophobicContact CB-CD 3.9Å; L969-K980 HydrophobicContact CB-CG 4.28Å; L969-K980 HydrophobicContact CD1-CB 4.2Å; L969-K980 WeakPolarHBondContact O-CD 3.41Å; L969-K980 PolarHBondContact O-NZ 2.81Å; T971-K980 HydrophobicContact CG2-CD 3.88Å; E976-K980 PolarHBondContact O-N 2.64Å; H978-K980 PolarHBondContact O-N 2.88Å; K980-L983 PolarHBondContact O-N 3.05Å; K980-L984 HydrophobicContact CG-CD1 4.23Å; K980-L984 WeakPolarHBondContact O-CG 3.05Å; K980-L984 PolarHBondContact O-N 3.28Å; K980-L984 VanDerWaalsContact O-N 3.15Å
981S84.5Confident80.1Confident74 Ų7457.1 Ų57.152%0.51731%0.311SS..Hα-helixtrans-64.6-40.3178.3-59.50000111.8S977 H978 L979 L984 A985S977-S981 VanDerWaalsContact O-CB 3.31Å; S977-S981 WeakPolarHBondContact O-CB 3.34Å; S977-S981 PolarHBondContact O-N 2.79Å; S977-S981 PolarHBondContact O-OG 2.93Å; H978-S981 PolarHBondContact O-N 3.13Å; L979-S981 VanDerWaalsContact C-N 3.32Å; L979-S981 PolarHBondContact O-N 2.96Å; S981-L984 PolarHBondContact O-N 2.87Å; S981-A985 WeakPolarHBondContact O-CB 3.25Å; S981-A985 PolarHBondContact O-N 3.29Å
982Q85.4Confident80.4Confident48 Ų4852 Ų5222%0.22428%0.28CS..Hα-helixtrans-68.8-40.3177-66.4-70-10.300112.3R552 I885 H978 L979 L984 A985R552-Q982 VanDerWaalsContact NH1-OE1 3.1Å; I885-Q982 HydrophobicContact CG2-CB 3.32Å; I885-Q982 HydrophobicContact CG2-CG 3.85Å; H978-Q982 PolarHBondContact CE1-NE2 3.36Å; H978-Q982 VanDerWaalsContact CE1-NE2 3.25Å; H978-Q982 PolarHBondContact NE2-NE2 2.98Å; H978-Q982 VanDerWaalsContact NE2-NE2 3.15Å; H978-Q982 WeakPolarHBondContact O-CG 3.29Å; H978-Q982 PolarHBondContact O-N 3.36Å; L979-Q982 PolarHBondContact O-N 3.24Å; Q982-L984 VanDerWaalsContact C-N 3.26Å; Q982-L984 PolarHBondContact O-N 2.98Å; Q982-A985 WeakPolarHBondContact O-CB 3.21Å; Q982-A985 PolarHBondContact O-N 3.41Å
983L88.5Confident81.3Confident1 Ų143.8 Ų43.81%0.00525%0.249CC..Hα-helixtrans-63.9-33177.1-68.1177.4000112.4L904 L965 L966 L969 L979 K980 F988 L989L904-L983 HydrophobicContact CD1-CD2 3.8Å; L965-L983 HydrophobicContact CD2-CD1 3.98Å; L965-L983 HydrophobicContact CG-CD1 4.34Å; L966-L983 HydrophobicContact CD1-CB 4.36Å; L969-L983 HydrophobicContact CD1-CD1 3.82Å; L979-L983 HydrophobicContact CD1-CD1 4.23Å; L979-L983 HydrophobicContact CD1-CG 4.21Å; L979-L983 HydrophobicContact CG-CD1 4.25Å; L979-L983 WeakPolarHBondContact O-CG 3.19Å; L979-L983 PolarHBondContact O-N 3.1Å; K980-L983 PolarHBondContact O-N 3.05Å; L983-F988 HydrophobicContact CD2-CD1 4.08Å; L983-F988 HydrophobicContact CD2-CE1 3.92Å; L983-L989 HydrophobicContact CD2-CD1 4.39Å; L983-L989 WeakPolarHBondContact O-CB 3.33Å; L983-L989 PolarHBondContact O-N 3.41Å
984L86Confident82Confident102 Ų10250.7 Ų50.753%0.53428%0.275SS..Hα-helixtrans-82.4-19.8175.8-71173.5000113.8L966 K980 S981 Q982 D986L966-L984 HydrophobicContact CD1-CD1 4.2Å; L966-L984 HydrophobicContact CD1-CD2 3.72Å; L966-L984 HydrophobicContact CD1-CG 3.67Å; L966-L984 HydrophobicContact CD2-CD2 3.67Å; L966-L984 HydrophobicContact CG-CD2 4.28Å; K980-L984 HydrophobicContact CG-CD1 4.23Å; K980-L984 WeakPolarHBondContact O-CG 3.05Å; K980-L984 PolarHBondContact O-N 3.28Å; K980-L984 VanDerWaalsContact O-N 3.15Å; S981-L984 PolarHBondContact O-N 2.87Å; Q982-L984 VanDerWaalsContact C-N 3.26Å; Q982-L984 PolarHBondContact O-N 2.98Å; L984-D986 PolarHBondContact O-N 3.12Å
985A78.4Confident82.1Confident34 Ų3449.2 Ų49.228%0.28126%0.259SS..G310 helixtrans-62.5132.2-177.200000110.4S981 Q982 G987 F988S981-A985 WeakPolarHBondContact O-CB 3.25Å; S981-A985 PolarHBondContact O-N 3.29Å; Q982-A985 WeakPolarHBondContact O-CB 3.21Å; Q982-A985 PolarHBondContact O-N 3.41Å; A985-G987 PolarHBondContact O-N 3.46Å; A985-F988 WeakPolarHBondContact O-CB 3.38Å; A985-F988 PolarHBondContact O-N 2.75Å
986D71.4Confident82.4Confident127 Ų12749.3 Ų49.368%0.67926%0.259SS*.G310 helixtrans53.920.3169.1-54.4-34.2000116.1F553 L984 F988F553-D986 HydrophobicContact CE1-CB 4.41Å; F553-D986 WeakPolarHBondContact CE1-O 3.33Å; F553-D986 HydrophobicContact CE2-CB 4.24Å; F553-D986 HydrophobicContact CZ-CB 3.79Å; F553-D986 WeakPolarHBondContact CZ-O 3.01Å; L984-D986 PolarHBondContact O-N 3.12Å; D986-F988 VanDerWaalsContact C-N 3.3Å; D986-F988 PolarHBondContact O-N 3.37Å
987G76.7Confident82.1Confident34 Ų3455.1 Ų55.135%0.35129%0.285SS..G310 helixtrans69.925.8-176.900000113.9A985 L989 E990 S991A985-G987 PolarHBondContact O-N 3.46Å; G987-L989 PolarHBondContact O-N 3.2Å; G987-E990 PolarHBondContact O-N 2.85Å; G987-S991 PolarHBondContact O-N 2.86Å; G987-S991 PolarHBondContact O-OG 3.05Å
988F82.4Confident81.5Confident17 Ų1756.4 Ų56.48%0.07529%0.294CS..Hα-helixtrans-52.1-51.3178.2174-102.3000112.5R552 P554 I885 Y896 L904 L983 A985 D986 E990 S991 L992R552-F988 WeakPolarHBondContact O-CD2 3.23Å; P554-F988 HydrophobicContact CG-CE2 4.35Å; I885-F988 HydrophobicContact CD1-CE1 4.29Å; I885-F988 HydrophobicContact CD1-CZ 4.22Å; Y896-F988 HydrophobicContact CD1-CE2 4.04Å; Y896-F988 HydrophobicContact CD1-CZ 4.18Å; Y896-F988 HydrophobicContact CD2-CE2 4.05Å; Y896-F988 AromaticContact CD2-CZ 3.64Å; Y896-F988 HydrophobicContact CD2-CZ 3.64Å; Y896-F988 HydrophobicContact CE1-CE2 4.16Å; Y896-F988 HydrophobicContact CE2-CE2 4.15Å; Y896-F988 HydrophobicContact CE2-CZ 4.14Å; Y896-F988 AromaticContact CG-CE2 4Å; Y896-F988 HydrophobicContact CG-CE2 4Å; Y896-F988 AromaticContact CG-CZ 3.68Å; Y896-F988 HydrophobicContact CG-CZ 3.68Å; L904-F988 HydrophobicContact CD2-CE1 3.99Å; L904-F988 HydrophobicContact CD2-CZ 4.09Å; L983-F988 HydrophobicContact CD2-CD1 4.08Å; L983-F988 HydrophobicContact CD2-CE1 3.92Å; A985-F988 WeakPolarHBondContact O-CB 3.38Å; A985-F988 PolarHBondContact O-N 2.75Å; D986-F988 VanDerWaalsContact C-N 3.3Å; D986-F988 PolarHBondContact O-N 3.37Å; F988-E990 VanDerWaalsContact C-N 3.35Å; F988-E990 PolarHBondContact O-N 2.79Å; F988-S991 WeakPolarHBondContact O-CB 3.49Å; F988-S991 PolarHBondContact O-N 2.85Å; F988-L992 PolarHBondContact O-N 2.76Å
989L85.7Confident80.4Confident6 Ų654.4 Ų54.43%0.03130%0.3CS..Hα-helixtrans-62.5-39-179.6-163.968.6000113L962 L966 L983 G987 S991 L992 K993L962-L989 HydrophobicContact CB-CD1 3.88Å; L962-L989 HydrophobicContact CB-CG 4.45Å; L962-L989 HydrophobicContact CD1-CD1 4.38Å; L962-L989 HydrophobicContact CD2-CD1 3.99Å; L962-L989 HydrophobicContact CG-CD1 4.3Å; L966-L989 HydrophobicContact CB-CD2 3.92Å; L966-L989 HydrophobicContact CD2-CD2 3.6Å; L966-L989 HydrophobicContact CG-CD2 4.29Å; L983-L989 HydrophobicContact CD2-CD1 4.39Å; L983-L989 WeakPolarHBondContact O-CB 3.33Å; L983-L989 PolarHBondContact O-N 3.41Å; G987-L989 PolarHBondContact O-N 3.2Å; L989-S991 VanDerWaalsContact C-N 3.3Å; L989-S991 PolarHBondContact O-N 3.37Å; L989-L992 HydrophobicContact CD1-CD2 4.49Å; L989-L992 WeakPolarHBondContact O-CB 2.97Å; L989-L992 PolarHBondContact O-N 2.94Å; L989-K993 WeakPolarHBondContact O-CG 3.49Å; L989-K993 PolarHBondContact O-N 3.15Å
990E85.3Confident78.3Confident118 Ų11858.8 Ų58.855%0.55132%0.323SS*.Hα-helixtrans-67.5-34.4177.8-68.6-56.7121.400111.8G987 F988 K993 K994G987-E990 PolarHBondContact O-N 2.85Å; F988-E990 VanDerWaalsContact C-N 3.35Å; F988-E990 PolarHBondContact O-N 2.79Å; E990-K993 IonicContact OE1-NZ 3.86Å; E990-K993 PolarHBondContact OE1-NZ 2.94Å; E990-K994 WeakPolarHBondContact O-CB 3.45Å; E990-K994 PolarHBondContact O-N 2.85Å
991S79.3Confident75.7Confident34 Ų3461.4 Ų61.424%0.23835%0.345CS..Hα-helixtrans-66-43.3174.7-56.20000111.4G987 F988 L989 K994 R995G987-S991 PolarHBondContact O-N 2.86Å; G987-S991 PolarHBondContact O-OG 3.05Å; F988-S991 WeakPolarHBondContact O-CB 3.49Å; F988-S991 PolarHBondContact O-N 2.85Å; L989-S991 VanDerWaalsContact C-N 3.3Å; L989-S991 PolarHBondContact O-N 3.37Å; S991-K994 PolarHBondContact O-N 2.64Å; S991-R995 PolarHBondContact O-N 3.05Å
992L82.8Confident73.2Confident0 Ų063.7 Ų63.70%035%0.351CS..Hα-helixtrans-59.4-50.2175.4-171.867.4000111.3Y896 P901 D902 L904 L962 F988 L989 K994 R995 W996Y896-L992 HydrophobicContact CE2-CD1 4.39Å; P901-L992 WeakPolarHBondContact O-CD1 3.23Å; D902-L992 VanDerWaalsContact C-CD1 3.5Å; L904-L992 HydrophobicContact CD1-CD2 4.26Å; L904-L992 HydrophobicContact CD2-CD2 4.12Å; L904-L992 HydrophobicContact CG-CD2 3.73Å; L962-L992 HydrophobicContact CD1-CD2 3.58Å; L962-L992 HydrophobicContact CD1-CG 3.97Å; L962-L992 HydrophobicContact CD2-CD2 3.74Å; L962-L992 HydrophobicContact CG-CD2 4.33Å; F988-L992 PolarHBondContact O-N 2.76Å; L989-L992 HydrophobicContact CD1-CD2 4.49Å; L989-L992 WeakPolarHBondContact O-CB 2.97Å; L989-L992 PolarHBondContact O-N 2.94Å; L992-K994 PolarHBondContact O-N 3.2Å; L992-R995 WeakPolarHBondContact O-CB 3.38Å; L992-R995 PolarHBondContact O-N 2.85Å; L992-W996 PolarHBondContact O-N 3.1Å
993K85.8Confident70.6Confident8 Ų863.9 Ų63.94%0.03537%0.366CS..Hα-helixtrans-61.5-41.1177.1-68.9175.5-170.3167.70112.9P959 L962 D963 L989 E990 R995 W996 K997P959-K993 HydrophobicContact CB-CB 4.48Å; P959-K993 HydrophobicContact CB-CD 4.29Å; P959-K993 HydrophobicContact CB-CG 4.02Å; L962-K993 HydrophobicContact CD1-CG 3.97Å; D963-K993 WeakPolarHBondContact OD1-CE 3.1Å; D963-K993 IonicContact OD1-NZ 2.92Å; D963-K993 PolarHBondContact OD1-NZ 3.38Å; D963-K993 VanDerWaalsContact OD2-CE 3.29Å; D963-K993 WeakPolarHBondContact OD2-CE 3.44Å; D963-K993 IonicContact OD2-NZ 3.29Å; D963-K993 PolarHBondContact OD2-NZ 3.17Å; L989-K993 WeakPolarHBondContact O-CG 3.49Å; L989-K993 PolarHBondContact O-N 3.15Å; E990-K993 IonicContact OE1-NZ 3.86Å; E990-K993 PolarHBondContact OE1-NZ 2.94Å; K993-R995 VanDerWaalsContact C-N 3.28Å; K993-R995 PolarHBondContact O-N 2.92Å; K993-W996 PolarHBondContact O-N 3.4Å; K993-K997 WeakPolarHBondContact O-CB 3.37Å; K993-K997 WeakPolarHBondContact O-CG 3.34Å; K993-K997 PolarHBondContact O-N 2.94Å
994K81.4Confident67.6Low161 Ų16172 Ų7270%0.741%0.409SS*.Hα-helixtrans-60.3-42.1177.5-175-175.1176.7-168.10110.4E990 S991 L992 K997 S998E990-K994 WeakPolarHBondContact O-CB 3.45Å; E990-K994 PolarHBondContact O-N 2.85Å; S991-K994 PolarHBondContact O-N 2.64Å; L992-K994 PolarHBondContact O-N 3.2Å; K994-K997 PolarHBondContact O-N 3.31Å; K994-S998 PolarHBondContact O-N 3.42Å; K994-S998 PolarHBondContact O-OG 3.11Å
995R71.8Confident64.8Low60 Ų6072.7 Ų72.723%0.22642%0.417CS..Hα-helixtrans-64.6-47.5177.6-174.962.464.9-179.53.9111.6D902 S991 L992 K993 K997 S998 G999D902-R995 HydrophobicContact CB-CG 4.29Å; S991-R995 PolarHBondContact O-N 3.05Å; L992-R995 WeakPolarHBondContact O-CB 3.38Å; L992-R995 PolarHBondContact O-N 2.85Å; K993-R995 VanDerWaalsContact C-N 3.28Å; K993-R995 PolarHBondContact O-N 2.92Å; R995-K997 PolarHBondContact O-N 2.92Å; R995-S998 WeakPolarHBondContact CA-OG 3.38Å; R995-S998 PolarHBondContact O-N 3.39Å; R995-S998 PolarHBondContact O-OG 3.42Å; R995-G999 PolarHBondContact O-N 2.99Å; R995-G999 VanDerWaalsContact O-N 3.13Å
996W78Confident62.5Low47 Ų4776.9 Ų76.918%0.17844%0.441CS..Hα-helixtrans-58-47.4175.8-17593000111.8D957 R958 P959 L992 K993 S998 G999 L1000D957-W996 PolarHBondContact O-NE1 2.94Å; R958-W996 HydrophobicContact CG-CZ2 4.2Å; P959-W996 VanDerWaalsContact CD-CD2 3.48Å; P959-W996 HydrophobicContact CG-CD2 3.85Å; P959-W996 HydrophobicContact CG-CE3 3.2Å; P959-W996 HydrophobicContact CG-CH2 4.2Å; P959-W996 HydrophobicContact CG-CZ3 3.42Å; P959-W996 VanDerWaalsContact CG-CZ3 3.42Å; L992-W996 PolarHBondContact O-N 3.1Å; K993-W996 PolarHBondContact O-N 3.4Å; W996-S998 VanDerWaalsContact C-N 3.32Å; W996-S998 PolarHBondContact O-N 3.04Å; W996-G999 WeakPolarHBondContact O-CA 3.37Å; W996-G999 PolarHBondContact O-N 2.81Å; W996-L1000 HydrophobicContact CD2-CD1 3.42Å; W996-L1000 VanDerWaalsContact CD2-CD1 3.42Å; W996-L1000 HydrophobicContact CE3-CD1 3.53Å; W996-L1000 HydrophobicContact CG-CD1 4.21Å; W996-L1000 HydrophobicContact CH2-CD1 3.54Å; W996-L1000 HydrophobicContact CH2-CD2 3.43Å; W996-L1000 VanDerWaalsContact CH2-CD2 3.43Å; W996-L1000 HydrophobicContact CH2-CG 4.13Å; W996-L1000 HydrophobicContact CZ2-CD1 3.41Å; W996-L1000 VanDerWaalsContact CZ2-CD1 3.41Å; W996-L1000 HydrophobicContact CZ2-CD2 3.88Å; W996-L1000 HydrophobicContact CZ2-CG 4.28Å; W996-L1000 HydrophobicContact CZ3-CD1 3.59Å; W996-L1000 HydrophobicContact CZ3-CD2 3.85Å; W996-L1000 HydrophobicContact CZ3-CG 4.29Å; W996-L1000 WeakPolarHBondContact O-CD1 3.28Å; W996-L1000 PolarHBondContact O-N 3.33Å
997K77.1Confident60.4Low128 Ų12880.1 Ų80.156%0.55745%0.449SS*.Hα-helixtrans-61.8-37.6177.8-73.7179.1-178.3178.80113P959 K993 K994 R995 G999 L1000P959-K997 HydrophobicContact CG-CG 4.43Å; K993-K997 WeakPolarHBondContact O-CB 3.37Å; K993-K997 WeakPolarHBondContact O-CG 3.34Å; K993-K997 PolarHBondContact O-N 2.94Å; K994-K997 PolarHBondContact O-N 3.31Å; R995-K997 PolarHBondContact O-N 2.92Å; K997-G999 PolarHBondContact O-N 3.11Å; K997-L1000 PolarHBondContact O-N 3.03Å
998S69.4Low58Low57 Ų5782.4 Ų82.440%0.39947%0.465SS..Hα-helixtrans-66.9-22.9174.2630000113.1K994 R995 W996K994-S998 PolarHBondContact O-N 3.42Å; K994-S998 PolarHBondContact O-OG 3.11Å; R995-S998 WeakPolarHBondContact CA-OG 3.38Å; R995-S998 PolarHBondContact O-N 3.39Å; R995-S998 PolarHBondContact O-OG 3.42Å; W996-S998 VanDerWaalsContact C-N 3.32Å; W996-S998 PolarHBondContact O-N 3.04Å
999G60.7Low55.4Low57 Ų5788.7 Ų88.759%0.58850%0.499SS*.Hα-helixtrans-76.6-34.2174.500000113.8R995 W996 K997R995-G999 PolarHBondContact O-N 2.99Å; R995-G999 VanDerWaalsContact O-N 3.13Å; W996-G999 WeakPolarHBondContact O-CA 3.37Å; W996-G999 PolarHBondContact O-N 2.81Å; K997-G999 PolarHBondContact O-N 3.11Å
1000L44.1Very low52.8Low91 Ų9195.2 Ų95.248%0.47654%0.54SS..Hα-helixtrans-75.8-23-175.4-91.785000115.5W996 K997 N1002 G1003W996-L1000 HydrophobicContact CD2-CD1 3.42Å; W996-L1000 VanDerWaalsContact CD2-CD1 3.42Å; W996-L1000 HydrophobicContact CE3-CD1 3.53Å; W996-L1000 HydrophobicContact CG-CD1 4.21Å; W996-L1000 HydrophobicContact CH2-CD1 3.54Å; W996-L1000 HydrophobicContact CH2-CD2 3.43Å; W996-L1000 VanDerWaalsContact CH2-CD2 3.43Å; W996-L1000 HydrophobicContact CH2-CG 4.13Å; W996-L1000 HydrophobicContact CZ2-CD1 3.41Å; W996-L1000 VanDerWaalsContact CZ2-CD1 3.41Å; W996-L1000 HydrophobicContact CZ2-CD2 3.88Å; W996-L1000 HydrophobicContact CZ2-CG 4.28Å; W996-L1000 HydrophobicContact CZ3-CD1 3.59Å; W996-L1000 HydrophobicContact CZ3-CD2 3.85Å; W996-L1000 HydrophobicContact CZ3-CG 4.29Å; W996-L1000 WeakPolarHBondContact O-CD1 3.28Å; W996-L1000 PolarHBondContact O-N 3.33Å; K997-L1000 PolarHBondContact O-N 3.03Å; L1000-N1002 PolarHBondContact O-N 3.42Å; L1000-G1003 PolarHBondContact O-N 3.47Å; L1000-G1003 VanDerWaalsContact O-N 3.08Å
1001S35.2Very low50.1Low85 Ų8595 Ų9559%0.59455%0.546SS*.THydrogen-bonded Turntrans-64.6-4.1-173.158.20000114.7
1002N32.9Very low47.7Very low123 Ų123101 Ų10166%0.65858%0.576SS**THydrogen-bonded Turntrans-120.19.9175.7-74.4-1.2000114.7L1000 L1004L1000-N1002 PolarHBondContact O-N 3.42Å; N1002-L1004 PolarHBondContact O-N 2.87Å
1003G29.6Very low45.2Very low52 Ų52104.6 Ų104.654%0.53661%0.613SS.*SBendtrans-81.8111.3172.600000111.1L1000 V1005L1000-G1003 PolarHBondContact O-N 3.47Å; L1000-G1003 VanDerWaalsContact O-N 3.08Å; G1003-V1005 PolarHBondContact O-N 2.72Å
1004L26.6Very low42.6Very low172 Ų172111 Ų11190%0.90165%0.653SS**  trans-46.3103.4169.3-74.1160.3000110N1002 P1006N1002-L1004 PolarHBondContact O-N 2.87Å; L1004-P1006 VanDerWaalsContact O-CD 3.26Å; L1004-P1006 WeakPolarHBondContact O-CD 3.35Å
1005V26.9Very low40.4Very low115 Ų115109.2 Ų109.270%0.69766%0.658SS**  trans-67115.2162.1176.90000105.4G1003 K1007G1003-V1005 PolarHBondContact O-N 2.72Å; V1005-K1007 VanDerWaalsContact C-N 3.31Å; V1005-K1007 PolarHBondContact O-N 3.49Å
1006P29.3Very low38.4Very low123 Ų123110.6 Ų110.680%0.79968%0.682SS**  trans-66.997.2175.726.5-29.1000107.1L1004 A1008L1004-P1006 VanDerWaalsContact O-CD 3.26Å; L1004-P1006 WeakPolarHBondContact O-CD 3.35Å; P1006-A1008 PolarHBondContact O-N 3.37Å
1007K27.9Very low36.1Very low194 Ų194116.2 Ų116.284%0.84372%0.716SS**  trans-72.4108.7170.4-81.2-175174.8179.80106.9V1005 D1009V1005-K1007 VanDerWaalsContact C-N 3.31Å; V1005-K1007 PolarHBondContact O-N 3.49Å; K1007-D1009 PolarHBondContact O-N 3.12Å
1008A26.7Very low34Very low82 Ų82117.6 Ų117.668%0.67873%0.728SS**  trans-52.8129.7167.900000110.4P1006P1006-A1008 PolarHBondContact O-N 3.37Å
1009D27.4Very low32.1Very low149 Ų149123.4 Ų123.480%0.79775%0.748SS**  trans41.5100.5146.9-55.8-27.9000117.7K1007K1007-D1009 PolarHBondContact O-N 3.12Å
1010T30.5Very low30.6Very low144 Ų144130.5 Ų130.588%0.88376%0.763SS**  trans-142.6110.1141.7-180000109.1
1011T28.7Very low29.7Very low112 Ų112137.1 Ų137.169%0.68778%0.782SS**  trans-62.5152.1-179.248.20000113.4
1012N29.8Very low29.5Very low161 Ų161138.5 Ų138.586%0.86179%0.789SS**  trans87.193.8155-54.3-22.8000117.8
1013G30.1Very low29.2Very low76 Ų76136.7 Ų136.778%0.78479%0.786SS**  trans-164.4108160.800000110.7
1014T31.2Very low29.3Very low141 Ų141141.1 Ų141.187%0.86579%0.792SS**PPolyproline II helixtrans-54.6139.3-174.6-37.70000113.1A1016T1014-A1016 PolarHBondContact O-N 2.93Å
1015P34.2Very low29.7Very low124 Ų124139.6 Ų139.681%0.80578%0.78SS**PPolyproline II helixtrans-81116.8-167.131.5-32.8000111.7
1016A29.3Very low30.4Very low90 Ų90143.2 Ų143.274%0.74479%0.787SS**PPolyproline II helixtrans-80.2118.4169.100000110T1014 I1018T1014-A1016 PolarHBondContact O-N 2.93Å; A1016-I1018 PolarHBondContact O-N 3.17Å; A1016-I1018 VanDerWaalsContact O-N 3.11Å
1017N30.4Very low31.4Very low164 Ų164144.1 Ų144.188%0.87777%0.774SS**  trans-30.1101.1168.1-124.4-16.4000113.6
1018I33.5Very low32.9Very low158 Ų158140.8 Ų140.881%0.8177%0.765SS**  trans-103.1113.3162.6-68.7174.6000106.7A1016 K1020A1016-I1018 PolarHBondContact O-N 3.17Å; A1016-I1018 VanDerWaalsContact O-N 3.11Å; I1018-K1020 PolarHBondContact O-N 3.31Å
1019E29.4Very low35.5Very low178 Ų178139.7 Ų139.783%0.83275%0.748SS**  trans-49.6124.4179.4-67.7173151.400111.4R1021E1019-R1021 PolarHBondContact O-N 2.93Å
1020K28.3Very low38.3Very low207 Ų207135 Ų13590%0.973%0.725SS**  trans-61103.1178-68.3175.6177.2178.60109.8I1018I1018-K1020 PolarHBondContact O-N 3.31Å
1021R26.1Very low41.1Very low229 Ų229128.1 Ų128.186%0.86468%0.683SS**  trans-61.1144153.7-95.4-178.6173.9177.9-1.9108.8E1019 S1023E1019-R1021 PolarHBondContact O-N 2.93Å; R1021-S1023 PolarHBondContact O-N 3.41Å
1022P29.8Very low44Very low114 Ų114123.6 Ų123.674%0.7466%0.659SS**  trans-61.8134.2-167.4-15.128.1000111.1H1024P1022-H1024 PolarHBondContact O-N 3.01Å
1023S28.1Very low46.8Very low85 Ų85116.3 Ų116.359%0.59462%0.621SS**  trans-50.6115.1-179.645.60000112.8R1021 H1025R1021-S1023 PolarHBondContact O-N 3.41Å; S1023-H1025 VanDerWaalsContact CB-CD2 3.44Å; S1023-H1025 WeakPolarHBondContact CB-CD2 3.38Å; S1023-H1025 WeakPolarHBondContact CB-NE2 3.41Å; S1023-H1025 PolarHBondContact O-N 3.43Å; S1023-H1025 PolarHBondContact OG-CD2 2.89Å; S1023-H1025 PolarHBondContact OG-NE2 3.49Å
1024H32Very low49.6Very low146 Ų146113 Ų11368%0.67659%0.586SS**  trans-67.663.4173.3-76.3-80.4000112.6P1022 K1026P1022-H1024 PolarHBondContact O-N 3.01Å; H1024-K1026 VanDerWaalsContact C-N 3.26Å; H1024-K1026 PolarHBondContact O-N 3.38Å
1025H34.3Very low52.4Low139 Ų139106.3 Ų106.364%0.64455%0.545SS*.THydrogen-bonded Turntrans-71.9-6.7-177.1-78.8-61.3000115.5S1023S1023-H1025 VanDerWaalsContact CB-CD2 3.44Å; S1023-H1025 WeakPolarHBondContact CB-CD2 3.38Å; S1023-H1025 WeakPolarHBondContact CB-NE2 3.41Å; S1023-H1025 PolarHBondContact O-N 3.43Å; S1023-H1025 PolarHBondContact OG-CD2 2.89Å; S1023-H1025 PolarHBondContact OG-NE2 3.49Å
1026K41.9Very low55.2Low192 Ų192100.5 Ų100.584%0.83551%0.508SS*.THydrogen-bonded Turntrans-84.4-5.2-176.6-75.7-169175.2-172.10116.2H1024 N1028H1024-K1026 VanDerWaalsContact C-N 3.26Å; H1024-K1026 PolarHBondContact O-N 3.38Å; K1026-N1028 PolarHBondContact O-N 3.2Å
1027R48.9Very low58.1Low142 Ų14297.3 Ų97.354%0.53648%0.484SS..THydrogen-bonded Turntrans-73.7-27.1-170.1-75.9-175.8177.5159.4-0.4115D570 L1029D570-R1027 HydrophobicContact CB-CB 4.44Å; R1027-L1029 PolarHBondContact O-N 3.21Å
1028N61.3Low60.9Low123 Ų12389.9 Ų89.966%0.65845%0.445SS*.THydrogen-bonded Turntrans-105.345.1-173.5-63.6-5.6000112.4K1026K1026-N1028 PolarHBondContact O-N 3.2Å
1029L80.1Confident63.7Low59 Ų5982.4 Ų82.431%0.30941%0.407SS..  trans-69.3128.8178-147.684.3000109.6S618 A619 R1027 A1033S618-L1029 CarbonylContact C-O 3.53Å; A619-L1029 HydrophobicContact CB-CB 4.39Å; A619-L1029 WeakPolarHBondContact CB-O 3.42Å; A619-L1029 PolarHBondContact N-O 3.36Å; R1027-L1029 PolarHBondContact O-N 3.21Å; L1029-A1033 HydrophobicContact CD2-CB 3.93Å; L1029-A1033 HydrophobicContact CG-CB 3.91Å
1030P86.9Confident66.7Low50 Ų5074.4 Ų74.433%0.32537%0.37SS..BIsolated β-bridgetrans-69.2153.5177.423.2-29.7000112.2G1032 A1033 A1034P1030-G1032 VanDerWaalsContact C-N 3.32Å; P1030-G1032 PolarHBondContact O-N 3.07Å; P1030-A1033 HydrophobicContact CG-CB 3.93Å; P1030-A1033 WeakPolarHBondContact O-CB 3.49Å; P1030-A1033 PolarHBondContact O-N 3.39Å; P1030-A1034 PolarHBondContact O-N 2.86Å
1031A89.1Confident69.6Low1 Ų167.4 Ų67.41%0.00834%0.339CS..Hα-helixtrans-56.5-40.3-177.600000114.1P617 Y622 H715 A1033 A1034 L1035P617-A1031 HydrophobicContact CG-CB 4.14Å; P617-A1031 VanDerWaalsContact O-CB 3.29Å; P617-A1031 WeakPolarHBondContact O-CB 3.29Å; P617-A1031 PolarHBondContact O-N 3.47Å; P617-A1031 VanDerWaalsContact O-N 3.07Å; Y622-A1031 HydrophobicContact CG-CB 4.07Å; H715-A1031 HydrophobicContact CB-CB 3.93Å; A1031-A1033 VanDerWaalsContact C-N 3.31Å; A1031-A1033 PolarHBondContact O-N 3.49Å; A1031-A1034 WeakPolarHBondContact O-CB 3.41Å; A1031-A1034 PolarHBondContact O-N 3Å; A1031-A1034 VanDerWaalsContact O-N 3.15Å; A1031-L1035 PolarHBondContact O-N 3.29Å
1032G89.4Confident72.7Confident16 Ų1657.6 Ų57.617%0.16530%0.304CS..Hα-helixtrans-60.7-37.6175.800000113.1P1030 A1034 L1035 A1036P1030-G1032 VanDerWaalsContact C-N 3.32Å; P1030-G1032 PolarHBondContact O-N 3.07Å; G1032-A1034 VanDerWaalsContact C-N 3.35Å; G1032-L1035 PolarHBondContact O-N 3.15Å; G1032-A1036 WeakPolarHBondContact O-CB 3.28Å; G1032-A1036 PolarHBondContact O-N 3.08Å
1033A88.5Confident75.8Confident8 Ų852.2 Ų52.27%0.06627%0.269CS..Hα-helixtrans-68.5-33.9175.400000112.1L1029 P1030 A1031 G1037L1029-A1033 HydrophobicContact CD2-CB 3.93Å; L1029-A1033 HydrophobicContact CG-CB 3.91Å; P1030-A1033 HydrophobicContact CG-CB 3.93Å; P1030-A1033 WeakPolarHBondContact O-CB 3.49Å; P1030-A1033 PolarHBondContact O-N 3.39Å; A1031-A1033 VanDerWaalsContact C-N 3.31Å; A1031-A1033 PolarHBondContact O-N 3.49Å; A1033-G1037 WeakPolarHBondContact O-CA 3.21Å; A1033-G1037 PolarHBondContact O-N 2.77Å
1034A88Confident78.9Confident7 Ų750.4 Ų50.46%0.05825%0.252CS..Hα-helixtrans-67-42.1173.700000112.4A619 P1030 A1031 G1032 A1038A619-A1034 HydrophobicContact CB-CB 3.66Å; P1030-A1034 PolarHBondContact O-N 2.86Å; A1031-A1034 WeakPolarHBondContact O-CB 3.41Å; A1031-A1034 PolarHBondContact O-N 3Å; A1031-A1034 VanDerWaalsContact O-N 3.15Å; G1032-A1034 VanDerWaalsContact C-N 3.35Å; A1034-A1038 WeakPolarHBondContact O-CB 3.35Å; A1034-A1038 PolarHBondContact O-N 3.26Å
1035L91Very high81.7Confident0 Ų046.4 Ų46.40%024%0.236CC..Hα-helixtrans-64.4-45.6175.8-85.1162.8000112.6Y622 Y660 D713 A1031 G1032 L1039 L1209 T1210 N1213Y622-L1035 HydrophobicContact CE1-CD1 4.31Å; Y622-L1035 HydrophobicContact CE1-CD2 4.2Å; Y622-L1035 HydrophobicContact CE1-CG 4.01Å; Y660-L1035 HydrophobicContact CD1-CD2 3.84Å; Y660-L1035 HydrophobicContact CD1-CG 4.42Å; Y660-L1035 HydrophobicContact CG-CD2 4.44Å; D713-L1035 HydrophobicContact CB-CD1 4.21Å; A1031-L1035 PolarHBondContact O-N 3.29Å; G1032-L1035 PolarHBondContact O-N 3.15Å; L1035-L1039 PolarHBondContact O-N 2.98Å; L1035-L1039 VanDerWaalsContact O-N 3.16Å; L1035-L1209 HydrophobicContact CB-CB 3.9Å; L1035-L1209 HydrophobicContact CB-CD1 3.64Å; L1035-L1209 HydrophobicContact CB-CG 4.42Å; L1035-L1209 HydrophobicContact CD1-CB 4.4Å; L1035-L1209 HydrophobicContact CD1-CD1 4.47Å; L1035-L1209 HydrophobicContact CD2-CB 4.48Å; L1035-T1210 HydrophobicContact CD2-CG2 3.83Å; L1035-N1213 PolarHBondContact O-ND2 3.05Å
1036A92.2Very high84.5Confident3 Ų339.9 Ų39.93%0.02521%0.206CC..Hα-helixtrans-67.2-42.2177.100000111.5G1032 L1039 L1040 Y1075 L1107 L1209G1032-A1036 WeakPolarHBondContact O-CB 3.28Å; G1032-A1036 PolarHBondContact O-N 3.08Å; A1036-L1039 PolarHBondContact O-N 2.94Å; A1036-L1040 VanDerWaalsContact O-CB 3.27Å; A1036-L1040 WeakPolarHBondContact O-CB 3.38Å; A1036-L1040 PolarHBondContact O-N 3.27Å; A1036-Y1075 HydrophobicContact CB-CD1 3.61Å; A1036-Y1075 HydrophobicContact CB-CD2 3.78Å; A1036-Y1075 HydrophobicContact CB-CE1 3.68Å; A1036-Y1075 HydrophobicContact CB-CE2 3.87Å; A1036-Y1075 HydrophobicContact CB-CG 3.67Å; A1036-L1107 HydrophobicContact CB-CD1 3.99Å; A1036-L1209 HydrophobicContact CB-CD1 4.29Å
1037G89.9Confident87Confident23 Ų2330.8 Ų30.824%0.23717%0.166CC..Hα-helixtrans-63.6-42.4177.700000112.8A1033 L1040 K1041A1033-G1037 WeakPolarHBondContact O-CA 3.21Å; A1033-G1037 PolarHBondContact O-N 2.77Å; G1037-L1040 PolarHBondContact O-N 3.15Å; G1037-K1041 WeakPolarHBondContact O-CB 3.23Å; G1037-K1041 PolarHBondContact O-N 3Å
1038A89.3Confident89.1Confident8 Ų827.1 Ų27.17%0.06616%0.16CC..Hα-helixtrans-61.8-46174.300000111.7Y660 A1034 K1041 N1042Y660-A1038 HydrophobicContact CD1-CB 4Å; Y660-A1038 HydrophobicContact CD2-CB 3.76Å; Y660-A1038 HydrophobicContact CE1-CB 3.98Å; Y660-A1038 HydrophobicContact CE2-CB 3.75Å; Y660-A1038 HydrophobicContact CG-CB 3.89Å; A1034-A1038 WeakPolarHBondContact O-CB 3.35Å; A1034-A1038 PolarHBondContact O-N 3.26Å; A1038-K1041 PolarHBondContact O-N 3.24Å; A1038-N1042 WeakPolarHBondContact O-CB 3.44Å; A1038-N1042 VanDerWaalsContact O-CG 3.24Å; A1038-N1042 PolarHBondContact O-N 2.83Å
1039L93.1Very high90.6Very high1 Ų125.1 Ų25.11%0.00514%0.143CC..Hα-helixtrans-61.5-46.5176.2177.259.3000111.8L1035 A1036 K1041 N1042 I1043 L1107 L1212 H1216L1035-L1039 PolarHBondContact O-N 2.98Å; L1035-L1039 VanDerWaalsContact O-N 3.16Å; A1036-L1039 PolarHBondContact O-N 2.94Å; L1039-K1041 VanDerWaalsContact C-N 3.33Å; L1039-K1041 PolarHBondContact O-N 3.46Å; L1039-N1042 PolarHBondContact O-N 2.9Å; L1039-I1043 HydrophobicContact CD1-CD1 3.84Å; L1039-I1043 HydrophobicContact CD1-CG1 4.05Å; L1039-I1043 HydrophobicContact CD2-CD1 4.44Å; L1039-I1043 HydrophobicContact CG-CD1 3.75Å; L1039-I1043 HydrophobicContact CG-CG1 4.37Å; L1039-I1043 WeakPolarHBondContact O-CB 3.47Å; L1039-I1043 VanDerWaalsContact O-CG1 3.27Å; L1039-I1043 WeakPolarHBondContact O-CG1 3.15Å; L1039-I1043 PolarHBondContact O-N 2.89Å; L1039-L1107 HydrophobicContact CD2-CB 4.32Å; L1039-L1107 HydrophobicContact CD2-CD1 4.29Å; L1039-L1212 HydrophobicContact CD2-CB 3.6Å; L1039-L1212 HydrophobicContact CD2-CD1 4.21Å; L1039-H1216 HydrophobicContact CD1-CB 3.89Å
1040L92.4Very high91.2Very high10 Ų1022.4 Ų22.45%0.05213%0.128CC..Hα-helixtrans-61.2-43.9-179.2-172.272.3000111.5A1036 G1037 I1043 L1044 L1068 Q1072 L1107A1036-L1040 VanDerWaalsContact O-CB 3.27Å; A1036-L1040 WeakPolarHBondContact O-CB 3.38Å; A1036-L1040 PolarHBondContact O-N 3.27Å; G1037-L1040 PolarHBondContact O-N 3.15Å; L1040-I1043 PolarHBondContact O-N 3.44Å; L1040-L1044 WeakPolarHBondContact O-CB 3.24Å; L1040-L1044 PolarHBondContact O-N 3.35Å; L1040-L1068 HydrophobicContact CD1-CB 3.86Å; L1040-L1068 HydrophobicContact CD1-CD1 3.87Å; L1040-L1068 HydrophobicContact CD1-CD2 3.42Å; L1040-L1068 VanDerWaalsContact CD1-CD2 3.42Å; L1040-L1068 HydrophobicContact CD1-CG 3.9Å; L1040-Q1072 HydrophobicContact CD2-CB 3.48Å; L1040-Q1072 VanDerWaalsContact CD2-CB 3.48Å; L1040-Q1072 HydrophobicContact CD2-CG 3.78Å; L1040-L1107 HydrophobicContact CB-CD2 4.41Å; L1040-L1107 HydrophobicContact CD1-CD2 4Å
1041K89.8Confident91.5Very high60 Ų6025.1 Ų25.126%0.26113%0.132SC..Hα-helixtrans-60.1-49.1174.9-173.1-176.6179.5-176.30110.5E580 G1037 A1038 L1039 I1043 L1044 D1045E580-K1041 VanDerWaalsContact CB-NZ 3.29Å; E580-K1041 IonicContact OE2-NZ 2.79Å; E580-K1041 PolarHBondContact OE2-NZ 2.87Å; G1037-K1041 WeakPolarHBondContact O-CB 3.23Å; G1037-K1041 PolarHBondContact O-N 3Å; A1038-K1041 PolarHBondContact O-N 3.24Å; L1039-K1041 VanDerWaalsContact C-N 3.33Å; L1039-K1041 PolarHBondContact O-N 3.46Å; K1041-I1043 VanDerWaalsContact C-N 3.31Å; K1041-I1043 PolarHBondContact O-N 2.83Å; K1041-L1044 PolarHBondContact O-N 2.88Å; K1041-L1044 VanDerWaalsContact O-N 3.16Å; K1041-D1045 WeakPolarHBondContact CE-OD2 3.45Å; K1041-D1045 WeakPolarHBondContact O-CB 3.46Å; K1041-D1045 PolarHBondContact O-N 2.87Å
1042N91.5Very high91.4Very high22 Ų2227.6 Ų27.612%0.11815%0.15CC..Hα-helixtrans-61.6-38.8179.8-74.4-3.2000112.4A583 A1038 L1039 T1046 H1216A583-N1042 PolarHBondContact O-ND2 3.48Å; A583-N1042 PolarHBondContact O-OD1 3.3Å; A1038-N1042 WeakPolarHBondContact O-CB 3.44Å; A1038-N1042 VanDerWaalsContact O-CG 3.24Å; A1038-N1042 PolarHBondContact O-N 2.83Å; L1039-N1042 PolarHBondContact O-N 2.9Å; N1042-T1046 WeakPolarHBondContact O-CB 3.26Å; N1042-T1046 PolarHBondContact O-N 3.05Å; N1042-T1046 PolarHBondContact O-OG1 3.28Å; N1042-H1216 PolarHBondContact O-NE2 2.88Å; N1042-H1216 VanDerWaalsContact O-NE2 3.13Å
1043I94.6Very high91.3Very high1 Ų126.9 Ų26.91%0.00514%0.142CC..Hα-helixtrans-62.6-47173.9-71.9169.6000110.7L1039 L1040 K1041 T1046 E1047 W1064 L1068 A1110 L1111 V1114L1039-I1043 HydrophobicContact CD1-CD1 3.84Å; L1039-I1043 HydrophobicContact CD1-CG1 4.05Å; L1039-I1043 HydrophobicContact CD2-CD1 4.44Å; L1039-I1043 HydrophobicContact CG-CD1 3.75Å; L1039-I1043 HydrophobicContact CG-CG1 4.37Å; L1039-I1043 WeakPolarHBondContact O-CB 3.47Å; L1039-I1043 VanDerWaalsContact O-CG1 3.27Å; L1039-I1043 WeakPolarHBondContact O-CG1 3.15Å; L1039-I1043 PolarHBondContact O-N 2.89Å; L1040-I1043 PolarHBondContact O-N 3.44Å; K1041-I1043 VanDerWaalsContact C-N 3.31Å; K1041-I1043 PolarHBondContact O-N 2.83Å; I1043-T1046 PolarHBondContact O-N 2.78Å; I1043-E1047 PolarHBondContact O-N 3.44Å; I1043-W1064 HydrophobicContact CG2-CH2 3.79Å; I1043-W1064 HydrophobicContact CG2-CZ2 3.8Å; I1043-L1068 HydrophobicContact CG2-CD1 4.45Å; I1043-A1110 HydrophobicContact CG2-CB 4.36Å; I1043-L1111 HydrophobicContact CD1-CB 3.95Å; I1043-L1111 HydrophobicContact CD1-CD1 4.34Å; I1043-L1111 HydrophobicContact CG1-CD1 4.07Å; I1043-V1114 HydrophobicContact CG2-CG2 3.91Å
1044L93Very high91.1Very high47 Ų4728.5 Ų28.525%0.24616%0.159CC..Hα-helixtrans-63.8-46.2178.3-18062.3000111.7L1040 K1041 T1046 E1047 V1048 F1061 W1064 Q1065L1040-L1044 WeakPolarHBondContact O-CB 3.24Å; L1040-L1044 PolarHBondContact O-N 3.35Å; K1041-L1044 PolarHBondContact O-N 2.88Å; K1041-L1044 VanDerWaalsContact O-N 3.16Å; L1044-T1046 PolarHBondContact O-N 3.45Å; L1044-E1047 PolarHBondContact O-N 2.52Å; L1044-V1048 HydrophobicContact CD1-CG2 4.25Å; L1044-V1048 HydrophobicContact CG-CG2 4.49Å; L1044-V1048 WeakPolarHBondContact O-CG2 3.4Å; L1044-V1048 PolarHBondContact O-N 3.49Å; L1044-F1061 HydrophobicContact CD1-CE2 3.97Å; L1044-F1061 HydrophobicContact CD1-CZ 3.99Å; L1044-W1064 HydrophobicContact CD1-CZ3 3.89Å; L1044-Q1065 HydrophobicContact CD1-CG 4.36Å
1045D91.2Very high91.2Very high62 Ų6228.1 Ų28.133%0.33216%0.157SC..Hα-helixtrans-62.8-42.5178.9-74.8-8.6000111K1041 V1048 R1049K1041-D1045 WeakPolarHBondContact CE-OD2 3.45Å; K1041-D1045 WeakPolarHBondContact O-CB 3.46Å; K1041-D1045 PolarHBondContact O-N 2.87Å; D1045-V1048 PolarHBondContact O-N 2.89Å; D1045-R1049 VanDerWaalsContact O-CB 3.3Å; D1045-R1049 WeakPolarHBondContact O-CB 3.38Å; D1045-R1049 WeakPolarHBondContact O-CG 3.45Å; D1045-R1049 PolarHBondContact O-N 3.3Å
1046T92.3Very high91.2Very high3 Ų329 Ų292%0.01817%0.165CC..Hα-helixtrans-61.9-44173.6-64.40000111.2N1042 I1043 L1044 R1049 L1050 V1114 H1216 D1220 W1225N1042-T1046 WeakPolarHBondContact O-CB 3.26Å; N1042-T1046 PolarHBondContact O-N 3.05Å; N1042-T1046 PolarHBondContact O-OG1 3.28Å; I1043-T1046 PolarHBondContact O-N 2.78Å; L1044-T1046 PolarHBondContact O-N 3.45Å; T1046-R1049 PolarHBondContact O-N 3.18Å; T1046-L1050 HydrophobicContact CG2-CD1 3.97Å; T1046-L1050 HydrophobicContact CG2-CG 4.37Å; T1046-L1050 WeakPolarHBondContact O-CB 3.38Å; T1046-L1050 WeakPolarHBondContact O-CG 3.37Å; T1046-L1050 PolarHBondContact O-N 2.99Å; T1046-V1114 HydrophobicContact CG2-CG1 4.11Å; T1046-H1216 PolarHBondContact OG1-CE1 3.02Å; T1046-H1216 PolarHBondContact OG1-NE2 3.36Å; T1046-D1220 PolarHBondContact OG1-OD1 3.44Å; T1046-W1225 HydrophobicContact CG2-CH2 4.13Å; T1046-W1225 HydrophobicContact CG2-CZ2 4.21Å
1047E94.7Very high91.2Very high1 Ų129.8 Ų29.81%0.00517%0.174CC..Hα-helixtrans-60.8-49.3177.2-159.2-72160.600111.6I1043 L1044 R1049 L1050 R1051 G1057 V1058 F1061 W1064 V1114I1043-E1047 PolarHBondContact O-N 3.44Å; L1044-E1047 PolarHBondContact O-N 2.52Å; E1047-R1049 VanDerWaalsContact C-N 3.31Å; E1047-R1049 PolarHBondContact O-N 3.06Å; E1047-L1050 WeakPolarHBondContact O-CB 3.4Å; E1047-L1050 PolarHBondContact O-N 3.38Å; E1047-L1050 VanDerWaalsContact O-N 3.13Å; E1047-R1051 PolarHBondContact O-N 3.45Å; E1047-R1051 IonicContact OE1-CZ 2.67Å; E1047-R1051 IonicContact OE1-NE 3.15Å; E1047-R1051 PolarHBondContact OE1-NE 3.36Å; E1047-R1051 IonicContact OE1-NH2 2.91Å; E1047-R1051 PolarHBondContact OE1-NH2 3.32Å; E1047-R1051 IonicContact OE2-NE 3.73Å; E1047-G1057 WeakPolarHBondContact OE1-CA 3.21Å; E1047-V1058 HydrophobicContact CG-CB 4.45Å; E1047-V1058 HydrophobicContact CG-CG2 3.91Å; E1047-V1058 PolarHBondContact OE1-N 2.82Å; E1047-F1061 WeakPolarHBondContact OE2-CD2 3.23Å; E1047-F1061 WeakPolarHBondContact OE2-CE2 3.29Å; E1047-W1064 HydrophobicContact CB-CH2 3.82Å; E1047-W1064 HydrophobicContact CB-CZ3 3.95Å; E1047-W1064 HydrophobicContact CG-CE3 4.45Å; E1047-W1064 HydrophobicContact CG-CH2 3.91Å; E1047-W1064 HydrophobicContact CG-CZ3 3.85Å; E1047-V1114 HydrophobicContact CB-CG2 4.03Å; E1047-V1114 HydrophobicContact CG-CG2 4.04Å
1048V93.3Very high91.4Very high65 Ų6529 Ų2939%0.39417%0.165SC..Hα-helixtrans-59.8-43.9179.5170.30000110.4L1044 D1045 R1051 S1052 F1061L1044-V1048 HydrophobicContact CD1-CG2 4.25Å; L1044-V1048 HydrophobicContact CG-CG2 4.49Å; L1044-V1048 WeakPolarHBondContact O-CG2 3.4Å; L1044-V1048 PolarHBondContact O-N 3.49Å; D1045-V1048 PolarHBondContact O-N 2.89Å; V1048-R1051 PolarHBondContact O-N 3.07Å; V1048-S1052 WeakPolarHBondContact O-CB 3.27Å; V1048-S1052 PolarHBondContact O-N 2.86Å; V1048-S1052 PolarHBondContact O-OG 3.09Å; V1048-S1052 VanDerWaalsContact O-OG 3.11Å; V1048-F1061 HydrophobicContact CG2-CE2 4.11Å; V1048-F1061 HydrophobicContact CG2-CZ 3.93Å
1049R91.8Very high91.5Very high81 Ų8132.5 Ų32.531%0.30619%0.187SC..Hα-helixtrans-64.7-37.8176.3-73.6171.966.1-157.6-4.4112.9D1045 T1046 E1047 S1052 G1053 D1220 W1225D1045-R1049 VanDerWaalsContact O-CB 3.3Å; D1045-R1049 WeakPolarHBondContact O-CB 3.38Å; D1045-R1049 WeakPolarHBondContact O-CG 3.45Å; D1045-R1049 PolarHBondContact O-N 3.3Å; T1046-R1049 PolarHBondContact O-N 3.18Å; E1047-R1049 VanDerWaalsContact C-N 3.31Å; E1047-R1049 PolarHBondContact O-N 3.06Å; R1049-S1052 PolarHBondContact O-OG 3.32Å; R1049-G1053 WeakPolarHBondContact O-CA 3.46Å; R1049-G1053 PolarHBondContact O-N 3.49Å; R1049-D1220 IonicContact NH1-OD1 3.96Å; R1049-W1225 HydrophobicContact CB-CH2 3.85Å; R1049-W1225 HydrophobicContact CB-CZ3 3.63Å; R1049-W1225 VanDerWaalsContact NH2-CD2 3.26Å
1050L93.1Very high91.4Very high1 Ų138.4 Ų38.41%0.00522%0.218CC..Hα-helixtrans-64.2-46175.8-74.4165.4000110.8T1046 E1047 G1053 G1054 L1055 G1056 V1114 I1118 V1223 W1225T1046-L1050 HydrophobicContact CG2-CD1 3.97Å; T1046-L1050 HydrophobicContact CG2-CG 4.37Å; T1046-L1050 WeakPolarHBondContact O-CB 3.38Å; T1046-L1050 WeakPolarHBondContact O-CG 3.37Å; T1046-L1050 PolarHBondContact O-N 2.99Å; E1047-L1050 WeakPolarHBondContact O-CB 3.4Å; E1047-L1050 PolarHBondContact O-N 3.38Å; E1047-L1050 VanDerWaalsContact O-N 3.13Å; L1050-G1053 CarbonylContact O-C 3.27Å; L1050-G1054 PolarHBondContact O-N 3.19Å; L1050-G1054 VanDerWaalsContact O-N 3.07Å; L1050-L1055 HydrophobicContact CD2-CB 3.8Å; L1050-L1055 HydrophobicContact CD2-CD1 4.44Å; L1050-L1055 PolarHBondContact O-N 2.86Å; L1050-G1056 CarbonylContact C-O 3.55Å; L1050-G1056 VanDerWaalsContact C-O 3.27Å; L1050-V1114 HydrophobicContact CD1-CG1 3.74Å; L1050-I1118 HydrophobicContact CD1-CD1 4.01Å; L1050-I1118 HydrophobicContact CD1-CG1 3.65Å; L1050-I1118 HydrophobicContact CD2-CD1 4.3Å; L1050-I1118 HydrophobicContact CD2-CG1 3.98Å; L1050-I1118 HydrophobicContact CD2-CG2 4.24Å; L1050-I1118 HydrophobicContact CG-CG1 4.48Å; L1050-V1223 HydrophobicContact CD2-CG1 3.91Å; L1050-V1223 HydrophobicContact CD2-CG2 4.44Å; L1050-W1225 HydrophobicContact CD2-CH2 3.94Å; L1050-W1225 HydrophobicContact CD2-CZ3 4.08Å; L1050-W1225 HydrophobicContact CG-CH2 3.92Å; L1050-W1225 HydrophobicContact CG-CZ3 4.26Å
1051R92.7Very high91.4Very high107 Ų10740.1 Ų40.140%0.40423%0.225SC..Hα-helixtrans-65.4-51.4179.7-179.3-179.7-59.8-80.4-11112E1047 V1048 G1053 G1054 G1056 V1058E1047-R1051 PolarHBondContact O-N 3.45Å; E1047-R1051 IonicContact OE1-CZ 2.67Å; E1047-R1051 IonicContact OE1-NE 3.15Å; E1047-R1051 PolarHBondContact OE1-NE 3.36Å; E1047-R1051 IonicContact OE1-NH2 2.91Å; E1047-R1051 PolarHBondContact OE1-NH2 3.32Å; E1047-R1051 IonicContact OE2-NE 3.73Å; V1048-R1051 PolarHBondContact O-N 3.07Å; R1051-G1053 VanDerWaalsContact C-N 3.26Å; R1051-G1053 PolarHBondContact O-N 3.34Å; R1051-G1054 PolarHBondContact O-N 2.9Å; R1051-G1054 VanDerWaalsContact O-N 3.14Å; R1051-G1056 VanDerWaalsContact CA-O 3.26Å; R1051-G1056 WeakPolarHBondContact CA-O 3.29Å; R1051-G1056 PolarHBondContact N-O 3.14Å; R1051-V1058 PolarHBondContact NH2-O 3.32Å
1052S87.4Confident91.5Very high54 Ų5441.8 Ų41.838%0.37824%0.241SC..Hα-helixtrans-66-33-179.871.80000111.8V1048 R1049 G1054 E1230V1048-S1052 WeakPolarHBondContact O-CB 3.27Å; V1048-S1052 PolarHBondContact O-N 2.86Å; V1048-S1052 PolarHBondContact O-OG 3.09Å; V1048-S1052 VanDerWaalsContact O-OG 3.11Å; R1049-S1052 PolarHBondContact O-OG 3.32Å; S1052-G1054 VanDerWaalsContact C-N 3.32Å; S1052-G1054 PolarHBondContact O-N 3.4Å; S1052-E1230 WeakPolarHBondContact CB-OE1 3.26Å; S1052-E1230 PolarHBondContact OG-OE1 3.35Å
1053G86.6Confident91.6Very high1 Ų147 Ų471%0.0126%0.262CS..THydrogen-bonded Turntrans-79.2-3.9173.800000115.8R1049 L1050 R1051 L1055 S1228 V1229R1049-G1053 WeakPolarHBondContact O-CA 3.46Å; R1049-G1053 PolarHBondContact O-N 3.49Å; L1050-G1053 CarbonylContact O-C 3.27Å; R1051-G1053 VanDerWaalsContact C-N 3.26Å; R1051-G1053 PolarHBondContact O-N 3.34Å; G1053-L1055 PolarHBondContact O-N 3.29Å; G1053-S1228 WeakPolarHBondContact CA-OG 3.37Å; G1053-S1228 WeakPolarHBondContact O-CA 3.24Å; G1053-V1229 WeakPolarHBondContact O-CG2 3.34Å; G1053-V1229 PolarHBondContact O-N 3.47Å
1054G85.4Confident91.6Very high41 Ų4147.1 Ų47.142%0.42326%0.263SS..THydrogen-bonded Turntrans6425.9-17800000114.3L1050 R1051 S1052L1050-G1054 PolarHBondContact O-N 3.19Å; L1050-G1054 VanDerWaalsContact O-N 3.07Å; R1051-G1054 PolarHBondContact O-N 2.9Å; R1051-G1054 VanDerWaalsContact O-N 3.14Å; S1052-G1054 VanDerWaalsContact C-N 3.32Å; S1052-G1054 PolarHBondContact O-N 3.4Å
1055L89.7Confident91.6Very high0 Ų048.9 Ų48.90%027%0.269CS..SBendtrans-96.1-10.4-177.2-57.2-178.6000113.3L1050 G1053 I1119 F1122 V1223 W1225 K1227L1050-L1055 HydrophobicContact CD2-CB 3.8Å; L1050-L1055 HydrophobicContact CD2-CD1 4.44Å; L1050-L1055 PolarHBondContact O-N 2.86Å; G1053-L1055 PolarHBondContact O-N 3.29Å; L1055-I1119 WeakPolarHBondContact O-CG1 3.34Å; L1055-I1119 PolarHBondContact O-N 3.5Å; L1055-F1122 HydrophobicContact CB-CD2 4.06Å; L1055-F1122 HydrophobicContact CD2-CB 4.15Å; L1055-F1122 HydrophobicContact CD2-CD1 3.97Å; L1055-F1122 HydrophobicContact CD2-CD2 3.59Å; L1055-F1122 HydrophobicContact CD2-CE1 4.22Å; L1055-F1122 HydrophobicContact CD2-CE2 3.87Å; L1055-F1122 HydrophobicContact CD2-CG 3.65Å; L1055-F1122 HydrophobicContact CD2-CZ 4.17Å; L1055-F1122 HydrophobicContact CG-CD2 4.45Å; L1055-V1223 HydrophobicContact CD1-CG1 3.93Å; L1055-W1225 HydrophobicContact CD1-CE3 3.86Å; L1055-W1225 HydrophobicContact CD1-CZ3 4.11Å; L1055-K1227 HydrophobicContact CD2-CB 4.24Å
1056G91.1Very high91.7Very high18 Ų1851.3 Ų51.319%0.18628%0.279CS..BIsolated β-bridgetrans150.5-167.3-174.500000110.8L1050 R1051 N1117L1050-G1056 CarbonylContact C-O 3.55Å; L1050-G1056 VanDerWaalsContact C-O 3.27Å; R1051-G1056 VanDerWaalsContact CA-O 3.26Å; R1051-G1056 WeakPolarHBondContact CA-O 3.29Å; R1051-G1056 PolarHBondContact N-O 3.14Å; G1056-N1117 CarbonylContact C-O 3.45Å; G1056-N1117 WeakPolarHBondContact CA-O 3.35Å
1057G92.2Very high91.7Very high20 Ų2056.3 Ų56.321%0.20630%0.298CS..  trans152.8146.7175.700000112.2E1047 N1117E1047-G1057 WeakPolarHBondContact OE1-CA 3.21Å; G1057-N1117 PolarHBondContact N-O 3.26Å; G1057-N1117 WeakPolarHBondContact O-CB 3.37Å
1058V94.5Very high91.6Very high6 Ų656.7 Ų56.74%0.03630%0.3CS..  trans-69.3136.9-174.9-175.40000110.1E1047 R1051 W1064 E1113 V1114E1047-V1058 HydrophobicContact CG-CB 4.45Å; E1047-V1058 HydrophobicContact CG-CG2 3.91Å; E1047-V1058 PolarHBondContact OE1-N 2.82Å; R1051-V1058 PolarHBondContact NH2-O 3.32Å; V1058-W1064 HydrophobicContact CB-CD2 4.43Å; V1058-W1064 HydrophobicContact CB-CG 4.26Å; V1058-W1064 HydrophobicContact CG1-CB 4.17Å; V1058-W1064 HydrophobicContact CG1-CD2 4.44Å; V1058-W1064 HydrophobicContact CG1-CG 3.82Å; V1058-W1064 HydrophobicContact CG2-CD2 4.45Å; V1058-W1064 HydrophobicContact CG2-CZ2 4.47Å; V1058-E1113 HydrophobicContact CG2-CB 4.46Å; V1058-V1114 HydrophobicContact CG2-CG2 3.99Å
1059P90.8Very high91.4Very high82 Ų8256 Ų5653%0.53230%0.301SS..THydrogen-bonded Turntrans-57.2142.4172.9-25.234.2000111.5N1117P1059-N1117 WeakPolarHBondContact CD-OD1 3.36Å
1060D91Very high91.4Very high124 Ų12458.7 Ų58.766%0.66332%0.317SS*.THydrogen-bonded Turntrans5355.1179.6-58.8-27.6000114.6T1062 K1063 W1064D1060-T1062 VanDerWaalsContact C-N 3.25Å; D1060-T1062 PolarHBondContact O-N 3.33Å; D1060-K1063 HydrophobicContact CB-CB 4.26Å; D1060-K1063 PolarHBondContact O-N 3.35Å; D1060-W1064 PolarHBondContact O-N 3.22Å
1061F92.7Very high91.2Very high46 Ų4659 Ų5920%0.20232%0.319CS..Hα-helixtrans-38.5-48.8-178.7178.2-108.9000114.8L1044 E1047 V1048 K1063 W1064 Q1065L1044-F1061 HydrophobicContact CD1-CE2 3.97Å; L1044-F1061 HydrophobicContact CD1-CZ 3.99Å; E1047-F1061 WeakPolarHBondContact OE2-CD2 3.23Å; E1047-F1061 WeakPolarHBondContact OE2-CE2 3.29Å; V1048-F1061 HydrophobicContact CG2-CE2 4.11Å; V1048-F1061 HydrophobicContact CG2-CZ 3.93Å; F1061-K1063 PolarHBondContact O-N 3.43Å; F1061-W1064 HydrophobicContact CD2-CE3 4.27Å; F1061-W1064 HydrophobicContact CE2-CE3 4.33Å; F1061-W1064 HydrophobicContact CE2-CZ3 4.27Å; F1061-W1064 WeakPolarHBondContact O-CB 3.34Å; F1061-W1064 PolarHBondContact O-N 2.87Å; F1061-Q1065 WeakPolarHBondContact O-CB 3.42Å; F1061-Q1065 PolarHBondContact O-N 3.25Å
1062T92.7Very high91Very high95 Ų9557.9 Ų57.958%0.58332%0.318SS*.Hα-helixtrans-59.5-46.9-178.3-46.30000112D1060 W1064 Q1065 E1066D1060-T1062 VanDerWaalsContact C-N 3.25Å; D1060-T1062 PolarHBondContact O-N 3.33Å; T1062-W1064 VanDerWaalsContact C-N 3.34Å; T1062-Q1065 PolarHBondContact O-N 3.02Å; T1062-E1066 WeakPolarHBondContact O-CG 3.12Å; T1062-E1066 PolarHBondContact O-N 2.74Å
1063K93.4Very high91Very high132 Ų13259 Ų5957%0.57432%0.323SS*.Hα-helixtrans-68-37.8179-173.5179.6-179.5-178.40111D1060 F1061 E1066 R1067D1060-K1063 HydrophobicContact CB-CB 4.26Å; D1060-K1063 PolarHBondContact O-N 3.35Å; F1061-K1063 PolarHBondContact O-N 3.43Å; K1063-E1066 PolarHBondContact O-N 3.04Å; K1063-R1067 WeakPolarHBondContact O-CG 3.38Å; K1063-R1067 PolarHBondContact O-N 3.34Å; K1063-R1067 VanDerWaalsContact O-N 3.15Å
1064W94.6Very high91Very high4 Ų460.2 Ų60.22%0.01533%0.331CS..Hα-helixtrans-62.6-46.3174.4178.686.2000111.9I1043 L1044 E1047 V1058 D1060 F1061 T1062 E1066 R1067 L1068 A1110 E1113 V1114I1043-W1064 HydrophobicContact CG2-CH2 3.79Å; I1043-W1064 HydrophobicContact CG2-CZ2 3.8Å; L1044-W1064 HydrophobicContact CD1-CZ3 3.89Å; E1047-W1064 HydrophobicContact CB-CH2 3.82Å; E1047-W1064 HydrophobicContact CB-CZ3 3.95Å; E1047-W1064 HydrophobicContact CG-CE3 4.45Å; E1047-W1064 HydrophobicContact CG-CH2 3.91Å; E1047-W1064 HydrophobicContact CG-CZ3 3.85Å; V1058-W1064 HydrophobicContact CB-CD2 4.43Å; V1058-W1064 HydrophobicContact CB-CG 4.26Å; V1058-W1064 HydrophobicContact CG1-CB 4.17Å; V1058-W1064 HydrophobicContact CG1-CD2 4.44Å; V1058-W1064 HydrophobicContact CG1-CG 3.82Å; V1058-W1064 HydrophobicContact CG2-CD2 4.45Å; V1058-W1064 HydrophobicContact CG2-CZ2 4.47Å; D1060-W1064 PolarHBondContact O-N 3.22Å; F1061-W1064 HydrophobicContact CD2-CE3 4.27Å; F1061-W1064 HydrophobicContact CE2-CE3 4.33Å; F1061-W1064 HydrophobicContact CE2-CZ3 4.27Å; F1061-W1064 WeakPolarHBondContact O-CB 3.34Å; F1061-W1064 PolarHBondContact O-N 2.87Å; T1062-W1064 VanDerWaalsContact C-N 3.34Å; W1064-E1066 PolarHBondContact O-N 2.85Å; W1064-R1067 WeakPolarHBondContact O-CB 3.48Å; W1064-R1067 PolarHBondContact O-N 2.98Å; W1064-L1068 HydrophobicContact CD2-CD1 4.25Å; W1064-L1068 HydrophobicContact CD2-CG 4.4Å; W1064-L1068 HydrophobicContact CE3-CD1 3.97Å; W1064-L1068 HydrophobicContact CE3-CG 4.49Å; W1064-L1068 HydrophobicContact CH2-CD1 3.3Å; W1064-L1068 HydrophobicContact CH2-CG 4.33Å; W1064-L1068 HydrophobicContact CZ2-CD1 3.55Å; W1064-L1068 HydrophobicContact CZ2-CG 4.16Å; W1064-L1068 HydrophobicContact CZ3-CD1 3.5Å; W1064-L1068 HydrophobicContact CZ3-CG 4.46Å; W1064-L1068 PolarHBondContact O-N 3.37Å; W1064-A1110 HydrophobicContact CZ2-CB 4.28Å; W1064-E1113 PolarHBondContact NE1-OE2 2.79Å; W1064-V1114 HydrophobicContact CH2-CG2 3.79Å; W1064-V1114 HydrophobicContact CZ2-CG2 3.49Å; W1064-V1114 VanDerWaalsContact CZ2-CG2 3.49Å
1065Q93.6Very high91.1Very high83 Ų8359.3 Ų59.339%0.38832%0.315SS..Hα-helixtrans-63.2-38.8176.7-174.3-174.4-3500112.1L1044 F1061 T1062 R1067 L1068 A1069L1044-Q1065 HydrophobicContact CD1-CG 4.36Å; F1061-Q1065 WeakPolarHBondContact O-CB 3.42Å; F1061-Q1065 PolarHBondContact O-N 3.25Å; T1062-Q1065 PolarHBondContact O-N 3.02Å; Q1065-R1067 VanDerWaalsContact C-N 3.35Å; Q1065-R1067 PolarHBondContact O-N 2.85Å; Q1065-L1068 WeakPolarHBondContact O-CB 3.33Å; Q1065-L1068 PolarHBondContact O-N 2.97Å; Q1065-A1069 PolarHBondContact O-N 2.96Å
1066E92.7Very high90.5Very high114 Ų11463.6 Ų63.653%0.53334%0.335SS..Hα-helixtrans-60.7-42173.5-75.8169.7-174.400112.1T1062 K1063 W1064 L1068 A1069 Q1070T1062-E1066 WeakPolarHBondContact O-CG 3.12Å; T1062-E1066 PolarHBondContact O-N 2.74Å; K1063-E1066 PolarHBondContact O-N 3.04Å; W1064-E1066 PolarHBondContact O-N 2.85Å; E1066-L1068 VanDerWaalsContact C-N 3.31Å; E1066-L1068 PolarHBondContact O-N 3.34Å; E1066-A1069 PolarHBondContact O-N 2.99Å; E1066-Q1070 WeakPolarHBondContact O-CG 3.43Å; E1066-Q1070 PolarHBondContact O-N 3.3Å
1067R92.2Very high89Confident108 Ų10866.9 Ų66.941%0.40836%0.355SS..Hα-helixtrans-62.4-39.8173.6-67.4-172.5-54.6-171.712111.4K1063 W1064 Q1065 Q1070 V1071 E1113K1063-R1067 WeakPolarHBondContact O-CG 3.38Å; K1063-R1067 PolarHBondContact O-N 3.34Å; K1063-R1067 VanDerWaalsContact O-N 3.15Å; W1064-R1067 WeakPolarHBondContact O-CB 3.48Å; W1064-R1067 PolarHBondContact O-N 2.98Å; Q1065-R1067 VanDerWaalsContact C-N 3.35Å; Q1065-R1067 PolarHBondContact O-N 2.85Å; R1067-Q1070 WeakPolarHBondContact O-CB 3.16Å; R1067-Q1070 PolarHBondContact O-N 3.11Å; R1067-V1071 WeakPolarHBondContact O-CG2 3.3Å; R1067-V1071 PolarHBondContact O-N 2.89Å; R1067-V1071 VanDerWaalsContact O-N 3.08Å; R1067-E1113 IonicContact CZ-OE1 3.33Å; R1067-E1113 IonicContact NH1-OE1 3.88Å; R1067-E1113 IonicContact NH2-OE1 2.98Å; R1067-E1113 PolarHBondContact NH2-OE1 2.99Å; R1067-E1113 IonicContact NH2-OE2 2.96Å; R1067-E1113 PolarHBondContact NH2-OE2 2.67Å
1068L91.5Very high87.1Confident9 Ų971.5 Ų71.55%0.04737%0.372CS..Hα-helixtrans-63.2-40.4175.7-79.4-166.7000113L1040 I1043 W1064 Q1065 E1066 Q1070 V1071 Q1072 A1110L1040-L1068 HydrophobicContact CD1-CB 3.86Å; L1040-L1068 HydrophobicContact CD1-CD1 3.87Å; L1040-L1068 HydrophobicContact CD1-CD2 3.42Å; L1040-L1068 VanDerWaalsContact CD1-CD2 3.42Å; L1040-L1068 HydrophobicContact CD1-CG 3.9Å; I1043-L1068 HydrophobicContact CG2-CD1 4.45Å; W1064-L1068 HydrophobicContact CD2-CD1 4.25Å; W1064-L1068 HydrophobicContact CD2-CG 4.4Å; W1064-L1068 HydrophobicContact CE3-CD1 3.97Å; W1064-L1068 HydrophobicContact CE3-CG 4.49Å; W1064-L1068 HydrophobicContact CH2-CD1 3.3Å; W1064-L1068 HydrophobicContact CH2-CG 4.33Å; W1064-L1068 HydrophobicContact CZ2-CD1 3.55Å; W1064-L1068 HydrophobicContact CZ2-CG 4.16Å; W1064-L1068 HydrophobicContact CZ3-CD1 3.5Å; W1064-L1068 HydrophobicContact CZ3-CG 4.46Å; W1064-L1068 PolarHBondContact O-N 3.37Å; Q1065-L1068 WeakPolarHBondContact O-CB 3.33Å; Q1065-L1068 PolarHBondContact O-N 2.97Å; E1066-L1068 VanDerWaalsContact C-N 3.31Å; E1066-L1068 PolarHBondContact O-N 3.34Å; L1068-Q1070 VanDerWaalsContact C-N 3.27Å; L1068-Q1070 PolarHBondContact O-N 3.37Å; L1068-V1071 WeakPolarHBondContact O-CB 3.38Å; L1068-V1071 PolarHBondContact O-N 2.95Å; L1068-V1071 VanDerWaalsContact O-N 3.14Å; L1068-Q1072 PolarHBondContact O-N 3.41Å; L1068-A1110 HydrophobicContact CD2-CB 3.31Å; L1068-A1110 HydrophobicContact CG-CB 4.45Å
1069A90.8Very high84.6Confident51 Ų5178.2 Ų78.242%0.42140%0.402SS..Hα-helixtrans-62.2-35.8175.700000112.2Q1065 E1066 Q1072 T1073Q1065-A1069 PolarHBondContact O-N 2.96Å; E1066-A1069 PolarHBondContact O-N 2.99Å; A1069-Q1072 PolarHBondContact O-N 3.45Å; A1069-T1073 PolarHBondContact O-N 3.21Å; A1069-T1073 PolarHBondContact O-OG1 3.31Å
1070Q90Very high82Confident136 Ų13683.2 Ų83.264%0.63642%0.419SS*.Hα-helixtrans-65.6-41.8173-65.4169.112.600111.6E1066 R1067 L1068 Q1072 T1073 S1074E1066-Q1070 WeakPolarHBondContact O-CG 3.43Å; E1066-Q1070 PolarHBondContact O-N 3.3Å; R1067-Q1070 WeakPolarHBondContact O-CB 3.16Å; R1067-Q1070 PolarHBondContact O-N 3.11Å; L1068-Q1070 VanDerWaalsContact C-N 3.27Å; L1068-Q1070 PolarHBondContact O-N 3.37Å; Q1070-Q1072 PolarHBondContact O-N 3.36Å; Q1070-T1073 PolarHBondContact O-N 3.35Å; Q1070-S1074 PolarHBondContact O-N 3.36Å
1071V90.6Very high79.1Confident9 Ų983.5 Ų83.56%0.05543%0.425CS..Hα-helixtrans-59.7-46.2173.9176.10000110.5R1067 L1068 T1073 S1074 Y1075 L1107R1067-V1071 WeakPolarHBondContact O-CG2 3.3Å; R1067-V1071 PolarHBondContact O-N 2.89Å; R1067-V1071 VanDerWaalsContact O-N 3.08Å; L1068-V1071 WeakPolarHBondContact O-CB 3.38Å; L1068-V1071 PolarHBondContact O-N 2.95Å; L1068-V1071 VanDerWaalsContact O-N 3.14Å; V1071-T1073 VanDerWaalsContact C-N 3.33Å; V1071-T1073 PolarHBondContact O-N 3.28Å; V1071-S1074 WeakPolarHBondContact O-CB 3.48Å; V1071-S1074 PolarHBondContact O-N 3.27Å; V1071-S1074 PolarHBondContact O-OG 3.32Å; V1071-Y1075 HydrophobicContact CG1-CE2 4.25Å; V1071-Y1075 WeakPolarHBondContact O-CD2 3.29Å; V1071-L1107 HydrophobicContact CG1-CD2 3.75Å; V1071-L1107 HydrophobicContact CG1-CG 3.82Å
1072Q87.6Confident76.3Confident82 Ų8286.6 Ų86.638%0.38345%0.45SS..Hα-helixtrans-56.6-46.9176.7-162.3178.6-35.400112.3L1040 L1068 A1069 Q1070 S1074 Y1075 E1076L1040-Q1072 HydrophobicContact CD2-CB 3.48Å; L1040-Q1072 VanDerWaalsContact CD2-CB 3.48Å; L1040-Q1072 HydrophobicContact CD2-CG 3.78Å; L1068-Q1072 PolarHBondContact O-N 3.41Å; A1069-Q1072 PolarHBondContact O-N 3.45Å; Q1070-Q1072 PolarHBondContact O-N 3.36Å; Q1072-S1074 PolarHBondContact O-N 3.42Å; Q1072-Y1075 PolarHBondContact O-N 3.27Å; Q1072-E1076 PolarHBondContact NE2-OE1 3.42Å; Q1072-E1076 PolarHBondContact O-N 2.85Å
1073T86.9Confident73.2Confident77 Ų7790 Ų9047%0.47247%0.465SS..Hα-helixtrans-60.2-31.8-178.6-53.50000112A1069 Q1070 V1071 Y1075 E1076 S1077A1069-T1073 PolarHBondContact O-N 3.21Å; A1069-T1073 PolarHBondContact O-OG1 3.31Å; Q1070-T1073 PolarHBondContact O-N 3.35Å; V1071-T1073 VanDerWaalsContact C-N 3.33Å; V1071-T1073 PolarHBondContact O-N 3.28Å; T1073-Y1075 PolarHBondContact O-N 3.39Å; T1073-E1076 PolarHBondContact O-N 3.29Å; T1073-S1077 PolarHBondContact O-N 3.12Å; T1073-S1077 PolarHBondContact O-OG 3.16Å; T1073-S1077 VanDerWaalsContact O-OG 3.06Å
1074S87.9Confident70.3Confident28 Ų2889.8 Ų89.820%0.19647%0.474CS..Hα-helixtrans-64.7-25.417679.50000113.7Q1070 V1071 Q1072 N1103Q1070-S1074 PolarHBondContact O-N 3.36Å; V1071-S1074 WeakPolarHBondContact O-CB 3.48Å; V1071-S1074 PolarHBondContact O-N 3.27Å; V1071-S1074 PolarHBondContact O-OG 3.32Å; Q1072-S1074 PolarHBondContact O-N 3.42Å; S1074-N1103 PolarHBondContact OG-N 3.3Å
1075Y85.8Confident67.2Low21 Ų2196.9 Ų96.98%0.08251%0.512CS..Hα-helixtrans-87.1-22.1175.9-75.8-88.5000113.1A1036 V1071 Q1072 T1073 P1102 K1104 L1107 L1209A1036-Y1075 HydrophobicContact CB-CD1 3.61Å; A1036-Y1075 HydrophobicContact CB-CD2 3.78Å; A1036-Y1075 HydrophobicContact CB-CE1 3.68Å; A1036-Y1075 HydrophobicContact CB-CE2 3.87Å; A1036-Y1075 HydrophobicContact CB-CG 3.67Å; V1071-Y1075 HydrophobicContact CG1-CE2 4.25Å; V1071-Y1075 WeakPolarHBondContact O-CD2 3.29Å; Q1072-Y1075 PolarHBondContact O-N 3.27Å; T1073-Y1075 PolarHBondContact O-N 3.39Å; Y1075-P1102 HydrophobicContact CD1-CB 3.79Å; Y1075-P1102 HydrophobicContact CE1-CB 3.48Å; Y1075-P1102 VanDerWaalsContact CE1-CB 3.48Å; Y1075-P1102 HydrophobicContact CE1-CG 4.42Å; Y1075-P1102 HydrophobicContact CE2-CB 4.3Å; Y1075-P1102 HydrophobicContact CG-CB 4.32Å; Y1075-K1104 WeakPolarHBondContact OH-CA 3.32Å; Y1075-K1104 PolarHBondContact OH-N 3.46Å; Y1075-L1107 HydrophobicContact CE2-CD1 3.75Å; Y1075-L1107 HydrophobicContact CE2-CG 4.3Å; Y1075-L1107 WeakPolarHBondContact OH-CD1 3.45Å; Y1075-L1209 HydrophobicContact CE1-CD1 4.39Å
1076E78.9Confident64.1Low90 Ų90101.5 Ų101.542%0.42154%0.539SS..Hα-helixtrans-85.3-22.8-177.5-66.3-179.2-173.900113.4Q1072 T1073 Q1078Q1072-E1076 PolarHBondContact NE2-OE1 3.42Å; Q1072-E1076 PolarHBondContact O-N 2.85Å; T1073-E1076 PolarHBondContact O-N 3.29Å; E1076-Q1078 VanDerWaalsContact C-N 3.3Å; E1076-Q1078 PolarHBondContact O-N 2.98Å
1077S58.6Low61Low87 Ų87101.4 Ų101.461%0.60855%0.551SS**  trans-807.8-168.8-61.70000116.4T1073 Q1079T1073-S1077 PolarHBondContact O-N 3.12Å; T1073-S1077 PolarHBondContact O-OG 3.16Å; T1073-S1077 VanDerWaalsContact O-OG 3.06Å; S1077-Q1079 VanDerWaalsContact C-N 3.31Å; S1077-Q1079 PolarHBondContact O-N 3.17Å
1078Q51.9Low58.2Low118 Ų118102 Ų10255%0.55157%0.572SS**  trans-83.165.6177.6-67-96.1-38.600111.2E1076E1076-Q1078 VanDerWaalsContact C-N 3.3Å; E1076-Q1078 PolarHBondContact O-N 2.98Å
1079Q41.7Very low55.4Low146 Ų146111.2 Ų111.268%0.68261%0.611SS**  trans-107.2137.4170.5-76-172.75.300112.1S1077S1077-Q1079 VanDerWaalsContact C-N 3.31Å; S1077-Q1079 PolarHBondContact O-N 3.17Å
1080E36.5Very low52.6Low188 Ų188114.2 Ų114.288%0.87963%0.626SS**PPolyproline II helixtrans-56.4138.5-162.4-60.8172.2156.600115.6
1081T29.8Very low49.9Very low129 Ų129115.5 Ų115.579%0.79164%0.638SS**PPolyproline II helixtrans-69.5130.8163.146.90000109N1083T1081-N1083 PolarHBondContact O-N 2.88Å
1082P34.5Very low47Very low111 Ų111123.1 Ų123.172%0.72168%0.677SS**PPolyproline II helixtrans-69.8128.9-179.6-2.515.5000109.7V1084P1082-V1084 PolarHBondContact O-N 3.22Å
1083N28.8Very low44.3Very low167 Ų167124.7 Ų124.789%0.89370%0.697SS**  trans-41.997.7172.4-82.4-39.4000112.5T1081T1081-N1083 PolarHBondContact O-N 2.88Å
1084V31.4Very low41.7Very low127 Ų127126.3 Ų126.377%0.7771%0.711SS**  trans-86.9113.1165.3-176.20000107.3P1082 L1086P1082-V1084 PolarHBondContact O-N 3.22Å; V1084-L1086 PolarHBondContact O-N 3.32Å
1085N30.1Very low38.9Very low154 Ų154130.4 Ų130.482%0.82474%0.74SS**  trans-46.2109.7174.7-79.7-37.4000111.1S1087N1085-S1087 PolarHBondContact O-N 3.4Å
1086L29Very low36.5Very low180 Ų180135.2 Ų135.294%0.94277%0.774SS**  trans-77.685.4-179.7-138.281000109.3V1084V1084-L1086 PolarHBondContact O-N 3.32Å
1087S27.5Very low34.3Very low112 Ų112136.3 Ų136.378%0.78379%0.792SS**  trans-145.473.3165.3-164.50000110.9N1085N1085-S1087 PolarHBondContact O-N 3.4Å
1088S32Very low33.3Very low121 Ų121139.6 Ų139.685%0.84680%0.802SS**SBendtrans176.1140.7146.548.90000110
1089K33.1Very low32.7Very low202 Ų202138.8 Ų138.888%0.87881%0.808SS**  trans-42.6145.5-168.1-69.8168.5173.8176.20116.4N1091K1089-N1091 PolarHBondContact O-N 3.39Å
1090P32.8Very low33.2Very low114 Ų114139.9 Ų139.974%0.7481%0.813SS**  trans-81.3117.7-176.733.1-30.8000110.9
1091N32.3Very low34.6Very low163 Ų163138.3 Ų138.387%0.87281%0.81SS**  trans-98.6113.6156.3-85-21.8000107.9K1089 S1093K1089-N1091 PolarHBondContact O-N 3.39Å; N1091-S1093 PolarHBondContact O-N 3.19Å
1092L31.1Very low36.8Very low168 Ų168134.7 Ų134.788%0.8879%0.788SS**  trans-59.4112.8171.7-95.968000110.4
1093S30.2Very low39.2Very low115 Ų115132.8 Ų132.880%0.80477%0.772SS**  trans179.876.4142.959.20000111.3N1091N1091-S1093 PolarHBondContact O-N 3.19Å
1094S32.1Very low42Very low111 Ų111127.8 Ų127.878%0.77674%0.743SS**SBendtrans-170.3116.3153.551.70000108.3
1095S29.4Very low44.8Very low114 Ų114124.6 Ų124.680%0.79773%0.729SS**  trans-48.3125.3177.646.90000111.8S1097S1095-S1097 PolarHBondContact O-N 2.9Å
1096P34.9Very low47.8Very low122 Ų122117.8 Ų117.879%0.79270%0.696SS**  trans-70127.5175.228.8-29.8000108.5L1098P1096-L1098 PolarHBondContact O-N 3.17Å; P1096-L1098 VanDerWaalsContact O-N 3.07Å
1097S32.5Very low50.8Low114 Ų114109.3 Ų109.380%0.79765%0.651SS**  trans-57115.6174.163.40000108.9S1095 C1099S1095-S1097 PolarHBondContact O-N 2.9Å; S1097-C1099 PolarHBondContact O-N 2.9Å; S1097-C1099 VanDerWaalsContact O-N 3.13Å
1098L37.2Very low54.1Low156 Ų156104.9 Ų104.982%0.81762%0.62SS**  trans-65.3108.2-176.8-146.6153.6000107.9P1096 E1100P1096-L1098 PolarHBondContact O-N 3.17Å; P1096-L1098 VanDerWaalsContact O-N 3.07Å; L1098-E1100 PolarHBondContact O-N 3.49Å; L1098-E1100 VanDerWaalsContact O-N 3.1Å
1099C39.5Very low57.1Low101 Ų101103.4 Ų103.468%0.68260%0.602SS**  trans-57.9115.1171.3-75.90000108.4S1097 L1101S1097-C1099 PolarHBondContact O-N 2.9Å; S1097-C1099 VanDerWaalsContact O-N 3.13Å; C1099-L1101 PolarHBondContact O-N 2.83Å
1100E52.3Low60Low169 Ų16993.9 Ų93.979%0.7956%0.561SS**PPolyproline II helixtrans-62.6129178.1-69.8-178.8166.800110.2L1098L1098-E1100 PolarHBondContact O-N 3.49Å; L1098-E1100 VanDerWaalsContact O-N 3.1Å
1101L65.8Low63.1Low155 Ų15588.5 Ų88.581%0.81253%0.526SS*.PPolyproline II helixtrans-69146.6175-76.8157.5000110.1C1099 N1103C1099-L1101 PolarHBondContact O-N 2.83Å; L1101-N1103 PolarHBondContact O-N 3.34Å
1102P77.7Confident66.1Low52 Ų5281.1 Ų81.134%0.33849%0.486SS..PPolyproline II helixtrans-58.4135.8-179.6-19.428.9000112.6Y1075 K1104Y1075-P1102 HydrophobicContact CD1-CB 3.79Å; Y1075-P1102 HydrophobicContact CE1-CB 3.48Å; Y1075-P1102 VanDerWaalsContact CE1-CB 3.48Å; Y1075-P1102 HydrophobicContact CE1-CG 4.42Å; Y1075-P1102 HydrophobicContact CE2-CB 4.3Å; Y1075-P1102 HydrophobicContact CG-CB 4.32Å; P1102-K1104 VanDerWaalsContact C-N 3.3Å; P1102-K1104 PolarHBondContact O-N 3.35Å
1103N83.3Confident69.2Low71 Ų7175.6 Ų75.638%0.3846%0.456SS..  trans-79.271.3-174-173.86.8000113S1074 L1101 A1105 G1106S1074-N1103 PolarHBondContact OG-N 3.3Å; L1101-N1103 PolarHBondContact O-N 3.34Å; N1103-A1105 VanDerWaalsContact C-N 3.29Å; N1103-A1105 PolarHBondContact O-N 3.49Å; N1103-G1106 PolarHBondContact O-N 2.97Å; N1103-G1106 PolarHBondContact OD1-N 2.87Å
1104K87.6Confident72.3Confident63 Ų6370.2 Ų70.227%0.27442%0.418SS..Hα-helixtrans-63.2-33.9175.7-174.5-179.9171.3-165.30113.1Y1075 P1102 G1106 L1107 V1108 A1206 R1207 L1212Y1075-K1104 WeakPolarHBondContact OH-CA 3.32Å; Y1075-K1104 PolarHBondContact OH-N 3.46Å; P1102-K1104 VanDerWaalsContact C-N 3.3Å; P1102-K1104 PolarHBondContact O-N 3.35Å; K1104-G1106 PolarHBondContact O-N 3.44Å; K1104-L1107 PolarHBondContact O-N 2.97Å; K1104-L1107 VanDerWaalsContact O-N 3.13Å; K1104-V1108 PolarHBondContact O-N 3.42Å; K1104-V1108 VanDerWaalsContact O-N 3.12Å; K1104-A1206 VanDerWaalsContact CE-O 3.32Å; K1104-A1206 WeakPolarHBondContact CE-O 3.05Å; K1104-A1206 PolarHBondContact NZ-O 3.18Å; K1104-R1207 PolarHBondContact NZ-O 3.2Å; K1104-L1212 HydrophobicContact CG-CD1 4.45Å
1105A90.3Very high75.3Confident59 Ų5965 Ų6549%0.48838%0.382SS..Hα-helixtrans-60.2-35.4177.100000111.6N1103 V1108 N1109N1103-A1105 VanDerWaalsContact C-N 3.29Å; N1103-A1105 PolarHBondContact O-N 3.49Å; A1105-V1108 PolarHBondContact O-N 2.94Å; A1105-N1109 WeakPolarHBondContact O-CB 3.45Å; A1105-N1109 PolarHBondContact O-N 3.36Å; A1105-N1109 PolarHBondContact O-ND2 3.27Å
1106G92.5Very high78.3Confident12 Ų1264 Ų6412%0.12437%0.365CS..Hα-helixtrans-60-43.2173.300000113.3N1103 K1104 N1109 A1110N1103-G1106 PolarHBondContact O-N 2.97Å; N1103-G1106 PolarHBondContact OD1-N 2.87Å; K1104-G1106 PolarHBondContact O-N 3.44Å; G1106-N1109 PolarHBondContact O-N 3.02Å; G1106-A1110 WeakPolarHBondContact O-CB 3.31Å; G1106-A1110 PolarHBondContact O-N 3.32Å
1107L93.6Very high81.1Confident2 Ų260.6 Ų60.61%0.0134%0.34CS..Hα-helixtrans-65.5-43.7176.4-65.4174000112A1036 L1039 L1040 V1071 Y1075 K1104 A1110 L1111 L1209A1036-L1107 HydrophobicContact CB-CD1 3.99Å; L1039-L1107 HydrophobicContact CD2-CB 4.32Å; L1039-L1107 HydrophobicContact CD2-CD1 4.29Å; L1040-L1107 HydrophobicContact CB-CD2 4.41Å; L1040-L1107 HydrophobicContact CD1-CD2 4Å; V1071-L1107 HydrophobicContact CG1-CD2 3.75Å; V1071-L1107 HydrophobicContact CG1-CG 3.82Å; Y1075-L1107 HydrophobicContact CE2-CD1 3.75Å; Y1075-L1107 HydrophobicContact CE2-CG 4.3Å; Y1075-L1107 WeakPolarHBondContact OH-CD1 3.45Å; K1104-L1107 PolarHBondContact O-N 2.97Å; K1104-L1107 VanDerWaalsContact O-N 3.13Å; L1107-A1110 PolarHBondContact O-N 3.49Å; L1107-L1111 WeakPolarHBondContact O-CB 3.41Å; L1107-L1111 PolarHBondContact O-N 3.46Å; L1107-L1209 HydrophobicContact CD1-CD2 3.79Å
1108V95.9Very high84Confident19 Ų1955.5 Ų55.512%0.11530%0.304CS..Hα-helixtrans-58.9-49.4176.3166.90000110.7K1104 A1105 L1111 I1112 V1203 L1212K1104-V1108 PolarHBondContact O-N 3.42Å; K1104-V1108 VanDerWaalsContact O-N 3.12Å; A1105-V1108 PolarHBondContact O-N 2.94Å; V1108-L1111 PolarHBondContact O-N 2.88Å; V1108-I1112 HydrophobicContact CG1-CD1 3.94Å; V1108-I1112 WeakPolarHBondContact O-CG1 3.48Å; V1108-I1112 PolarHBondContact O-N 2.87Å; V1108-I1112 VanDerWaalsContact O-N 3.08Å; V1108-V1203 HydrophobicContact CG1-CG1 4.1Å; V1108-L1212 HydrophobicContact CG2-CD1 4.18Å; V1108-L1212 HydrophobicContact CG2-CD2 4.07Å
1109N95.3Very high86.4Confident89 Ų8951 Ų5148%0.47628%0.28SS..Hα-helixtrans-64.1-43.7-180-70.6-20.6000111.7A1105 G1106 L1111 I1112 E1113A1105-N1109 WeakPolarHBondContact O-CB 3.45Å; A1105-N1109 PolarHBondContact O-N 3.36Å; A1105-N1109 PolarHBondContact O-ND2 3.27Å; G1106-N1109 PolarHBondContact O-N 3.02Å; N1109-L1111 VanDerWaalsContact C-N 3.33Å; N1109-L1111 PolarHBondContact O-N 3.02Å; N1109-I1112 PolarHBondContact O-N 3.38Å; N1109-E1113 WeakPolarHBondContact O-CB 3.22Å; N1109-E1113 VanDerWaalsContact O-CG 3.31Å; N1109-E1113 WeakPolarHBondContact O-CG 3.13Å; N1109-E1113 PolarHBondContact O-N 3.03Å
1110A94.9Very high88.7Confident2 Ų249.1 Ų49.12%0.01727%0.266CS..Hα-helixtrans-62-41.1178.700000112.7I1043 W1064 L1068 G1106 L1107 E1113 V1114I1043-A1110 HydrophobicContact CG2-CB 4.36Å; W1064-A1110 HydrophobicContact CZ2-CB 4.28Å; L1068-A1110 HydrophobicContact CD2-CB 3.31Å; L1068-A1110 HydrophobicContact CG-CB 4.45Å; G1106-A1110 WeakPolarHBondContact O-CB 3.31Å; G1106-A1110 PolarHBondContact O-N 3.32Å; L1107-A1110 PolarHBondContact O-N 3.49Å; A1110-E1113 PolarHBondContact O-N 2.86Å; A1110-V1114 WeakPolarHBondContact O-CG2 3.49Å; A1110-V1114 PolarHBondContact O-N 2.96Å
1111L96.2Very high90.1Very high2 Ų247.3 Ų47.31%0.0125%0.252CS..Hα-helixtrans-63.9-42.7176.5-17757.5000111.4I1043 L1107 V1108 N1109 A1115 W1199 V1203 L1212 H1216 L1219I1043-L1111 HydrophobicContact CD1-CB 3.95Å; I1043-L1111 HydrophobicContact CD1-CD1 4.34Å; I1043-L1111 HydrophobicContact CG1-CD1 4.07Å; L1107-L1111 WeakPolarHBondContact O-CB 3.41Å; L1107-L1111 PolarHBondContact O-N 3.46Å; V1108-L1111 PolarHBondContact O-N 2.88Å; N1109-L1111 VanDerWaalsContact C-N 3.33Å; N1109-L1111 PolarHBondContact O-N 3.02Å; L1111-A1115 PolarHBondContact O-N 3.36Å; L1111-A1115 VanDerWaalsContact O-N 3.16Å; L1111-W1199 HydrophobicContact CD1-CH2 4.33Å; L1111-W1199 HydrophobicContact CD1-CZ2 4.07Å; L1111-W1199 HydrophobicContact CD2-CH2 4.47Å; L1111-W1199 HydrophobicContact CD2-CZ2 4.07Å; L1111-W1199 HydrophobicContact CG-CH2 3.8Å; L1111-W1199 HydrophobicContact CG-CZ2 3.76Å; L1111-V1203 HydrophobicContact CD2-CG1 4.07Å; L1111-V1203 HydrophobicContact CD2-CG2 4.07Å; L1111-L1212 HydrophobicContact CD2-CD2 4.46Å; L1111-H1216 HydrophobicContact CD1-CB 3.9Å; L1111-H1216 HydrophobicContact CD2-CB 4.42Å; L1111-L1219 HydrophobicContact CD1-CD2 4.28Å
1112I96.6Very high91.2Very high7 Ų740.4 Ų40.44%0.03622%0.215CC..Hα-helixtrans-64.3-45.4175.7-67.6169.1000111V1108 N1109 V1114 A1115 E1116 W1199 R1200 V1203 Q1204V1108-I1112 HydrophobicContact CG1-CD1 3.94Å; V1108-I1112 WeakPolarHBondContact O-CG1 3.48Å; V1108-I1112 PolarHBondContact O-N 2.87Å; V1108-I1112 VanDerWaalsContact O-N 3.08Å; N1109-I1112 PolarHBondContact O-N 3.38Å; I1112-V1114 VanDerWaalsContact C-N 3.32Å; I1112-V1114 PolarHBondContact O-N 2.9Å; I1112-A1115 PolarHBondContact O-N 3.34Å; I1112-A1115 VanDerWaalsContact O-N 3.15Å; I1112-E1116 HydrophobicContact CG2-CG 4.07Å; I1112-E1116 WeakPolarHBondContact O-CG 3.25Å; I1112-E1116 PolarHBondContact O-N 3.11Å; I1112-W1199 HydrophobicContact CG1-CZ3 4.4Å; I1112-R1200 HydrophobicContact CD1-CG 4.18Å; I1112-R1200 HydrophobicContact CG1-CG 4.45Å; I1112-V1203 HydrophobicContact CD1-CG1 4.18Å; I1112-V1203 HydrophobicContact CG1-CG1 3.91Å; I1112-Q1204 HydrophobicContact CD1-CG 3.96Å
1113E95.4Very high91.8Very high52 Ų5237.9 Ų37.924%0.24320%0.199CC..Hα-helixtrans-59-42.3178.8-76.2176.6160.400111.4V1058 W1064 R1067 N1109 A1110 N1117V1058-E1113 HydrophobicContact CG2-CB 4.46Å; W1064-E1113 PolarHBondContact NE1-OE2 2.79Å; R1067-E1113 IonicContact CZ-OE1 3.33Å; R1067-E1113 IonicContact NH1-OE1 3.88Å; R1067-E1113 IonicContact NH2-OE1 2.98Å; R1067-E1113 PolarHBondContact NH2-OE1 2.99Å; R1067-E1113 IonicContact NH2-OE2 2.96Å; R1067-E1113 PolarHBondContact NH2-OE2 2.67Å; N1109-E1113 WeakPolarHBondContact O-CB 3.22Å; N1109-E1113 VanDerWaalsContact O-CG 3.31Å; N1109-E1113 WeakPolarHBondContact O-CG 3.13Å; N1109-E1113 PolarHBondContact O-N 3.03Å; A1110-E1113 PolarHBondContact O-N 2.86Å; E1113-N1117 PolarHBondContact O-N 3.04Å; E1113-N1117 PolarHBondContact O-ND2 3.3Å
1114V95.3Very high92.1Very high2 Ų237.9 Ų37.91%0.01220%0.199CC..Hα-helixtrans-62.6-46.7174.9171.60000110.9I1043 T1046 E1047 L1050 V1058 W1064 A1110 I1112 N1117 I1118I1043-V1114 HydrophobicContact CG2-CG2 3.91Å; T1046-V1114 HydrophobicContact CG2-CG1 4.11Å; E1047-V1114 HydrophobicContact CB-CG2 4.03Å; E1047-V1114 HydrophobicContact CG-CG2 4.04Å; L1050-V1114 HydrophobicContact CD1-CG1 3.74Å; V1058-V1114 HydrophobicContact CG2-CG2 3.99Å; W1064-V1114 HydrophobicContact CH2-CG2 3.79Å; W1064-V1114 HydrophobicContact CZ2-CG2 3.49Å; W1064-V1114 VanDerWaalsContact CZ2-CG2 3.49Å; A1110-V1114 WeakPolarHBondContact O-CG2 3.49Å; A1110-V1114 PolarHBondContact O-N 2.96Å; I1112-V1114 VanDerWaalsContact C-N 3.32Å; I1112-V1114 PolarHBondContact O-N 2.9Å; V1114-N1117 PolarHBondContact O-N 2.95Å; V1114-I1118 WeakPolarHBondContact O-CG1 3.25Å
1115A94.5Very high92.2Very high1 Ų135.1 Ų35.11%0.00819%0.188CC..Hα-helixtrans-63.5-43.1-178.600000113.6L1111 I1112 N1117 I1118 W1199 L1219L1111-A1115 PolarHBondContact O-N 3.36Å; L1111-A1115 VanDerWaalsContact O-N 3.16Å; I1112-A1115 PolarHBondContact O-N 3.34Å; I1112-A1115 VanDerWaalsContact O-N 3.15Å; A1115-N1117 PolarHBondContact O-N 3.14Å; A1115-I1118 PolarHBondContact O-N 2.83Å; A1115-W1199 HydrophobicContact CB-CE3 4.26Å; A1115-W1199 HydrophobicContact CB-CH2 3.38Å; A1115-W1199 HydrophobicContact CB-CZ2 4.29Å; A1115-W1199 HydrophobicContact CB-CZ3 3.37Å; A1115-L1219 HydrophobicContact CB-CD1 3.72Å; A1115-L1219 HydrophobicContact CB-CD2 3.66Å; A1115-L1219 HydrophobicContact CB-CG 4.35Å
1116E92.4Very high92Very high93 Ų9333.4 Ų33.444%0.43517%0.172SC..Hα-helixtrans-68.1-20.7-179-72.8-176152.500112.9I1112 R1200I1112-E1116 HydrophobicContact CG2-CG 4.07Å; I1112-E1116 WeakPolarHBondContact O-CG 3.25Å; I1112-E1116 PolarHBondContact O-N 3.11Å; E1116-R1200 IonicContact OE1-CZ 2.72Å; E1116-R1200 IonicContact OE1-NE 3.83Å; E1116-R1200 IonicContact OE1-NH1 2.82Å; E1116-R1200 PolarHBondContact OE1-NH1 2.71Å; E1116-R1200 IonicContact OE1-NH2 3.51Å; E1116-R1200 PolarHBondContact OE1-NH2 3.24Å; E1116-R1200 IonicContact OE2-NH2 2.82Å
1117N94Very high91.5Very high52 Ų5236.7 Ų36.728%0.27819%0.186SC..THydrogen-bonded Turntrans-99.211.5179.9-71.9-74.8000113.7G1056 G1057 P1059 E1113 V1114 A1115G1056-N1117 CarbonylContact C-O 3.45Å; G1056-N1117 WeakPolarHBondContact CA-O 3.35Å; G1057-N1117 PolarHBondContact N-O 3.26Å; G1057-N1117 WeakPolarHBondContact O-CB 3.37Å; P1059-N1117 WeakPolarHBondContact CD-OD1 3.36Å; E1113-N1117 PolarHBondContact O-N 3.04Å; E1113-N1117 PolarHBondContact O-ND2 3.3Å; V1114-N1117 PolarHBondContact O-N 2.95Å; A1115-N1117 PolarHBondContact O-N 3.14Å
1118I93.6Very high90.8Very high6 Ų638 Ų383%0.03119%0.193CC..BIsolated β-bridgetrans-83.3131.7168.1-55.4173.4000108.7L1050 V1114 A1115 P1120 L1123 L1219 V1223L1050-I1118 HydrophobicContact CD1-CD1 4.01Å; L1050-I1118 HydrophobicContact CD1-CG1 3.65Å; L1050-I1118 HydrophobicContact CD2-CD1 4.3Å; L1050-I1118 HydrophobicContact CD2-CG1 3.98Å; L1050-I1118 HydrophobicContact CD2-CG2 4.24Å; L1050-I1118 HydrophobicContact CG-CG1 4.48Å; V1114-I1118 WeakPolarHBondContact O-CG1 3.25Å; A1115-I1118 PolarHBondContact O-N 2.83Å; I1118-P1120 WeakPolarHBondContact O-CD 3.44Å; I1118-L1123 HydrophobicContact CB-CD1 4.34Å; I1118-L1123 HydrophobicContact CB-CD2 4.45Å; I1118-L1123 HydrophobicContact CB-CG 4.39Å; I1118-L1123 HydrophobicContact CD1-CD2 4.09Å; I1118-L1123 HydrophobicContact CG2-CD1 4.23Å; I1118-L1123 HydrophobicContact CG2-CD2 3.86Å; I1118-L1123 HydrophobicContact CG2-CG 3.76Å; I1118-L1219 HydrophobicContact CD1-CD1 3.89Å; I1118-L1219 HydrophobicContact CD1-CD2 4.3Å; I1118-L1219 HydrophobicContact CD1-CG 4.15Å; I1118-V1223 HydrophobicContact CD1-CG2 3.88Å
1119I88.8Confident89.1Confident62 Ų6242 Ų4232%0.31822%0.221SC..  trans-67.5123.5179-56.9165.1000108.8L1055 R1121 F1122L1055-I1119 WeakPolarHBondContact O-CG1 3.34Å; L1055-I1119 PolarHBondContact O-N 3.5Å; I1119-R1121 VanDerWaalsContact C-N 3.26Å; I1119-R1121 HydrophobicContact CG2-CG 3.9Å; I1119-R1121 PolarHBondContact O-N 3.01Å; I1119-F1122 HydrophobicContact CB-CD2 3.75Å; I1119-F1122 HydrophobicContact CB-CE2 4.17Å; I1119-F1122 HydrophobicContact CD1-CD2 4.16Å; I1119-F1122 HydrophobicContact CD1-CE2 3.85Å; I1119-F1122 HydrophobicContact CG1-CD2 4.46Å; I1119-F1122 HydrophobicContact CG2-CD2 4.28Å; I1119-F1122 HydrophobicContact CG2-CE2 4.41Å; I1119-F1122 PolarHBondContact O-N 2.94Å
1120P86.6Confident86.9Confident61 Ų6142.6 Ų42.640%0.39623%0.228SC..G310 helixtrans-54.1-33.1-169.5-31.135.5000116I1118 F1122 L1123 H1188 T1192I1118-P1120 WeakPolarHBondContact O-CD 3.44Å; P1120-F1122 PolarHBondContact O-N 2.86Å; P1120-L1123 PolarHBondContact O-N 3.06Å; P1120-L1123 VanDerWaalsContact O-N 3.12Å; P1120-H1188 PolarHBondContact O-NE2 3.31Å; P1120-T1192 HydrophobicContact CB-CG2 4.2Å
1121R82.6Confident84Confident132 Ų13251.9 Ų51.950%0.49827%0.268SS..G310 helixtrans-64.2-18.5177.775.5-168.4177-167.3-1.1114.2I1119I1119-R1121 VanDerWaalsContact C-N 3.26Å; I1119-R1121 HydrophobicContact CG2-CG 3.9Å; I1119-R1121 PolarHBondContact O-N 3.01Å
1122F88.7Confident80.9Confident9 Ų955.7 Ų55.74%0.03930%0.295CS..G310 helixtrans-98.42.7178.3-58.2-47000113.3L1055 I1119 P1120 R1224 K1227 N1253L1055-F1122 HydrophobicContact CB-CD2 4.06Å; L1055-F1122 HydrophobicContact CD2-CB 4.15Å; L1055-F1122 HydrophobicContact CD2-CD1 3.97Å; L1055-F1122 HydrophobicContact CD2-CD2 3.59Å; L1055-F1122 HydrophobicContact CD2-CE1 4.22Å; L1055-F1122 HydrophobicContact CD2-CE2 3.87Å; L1055-F1122 HydrophobicContact CD2-CG 3.65Å; L1055-F1122 HydrophobicContact CD2-CZ 4.17Å; L1055-F1122 HydrophobicContact CG-CD2 4.45Å; I1119-F1122 HydrophobicContact CB-CD2 3.75Å; I1119-F1122 HydrophobicContact CB-CE2 4.17Å; I1119-F1122 HydrophobicContact CD1-CD2 4.16Å; I1119-F1122 HydrophobicContact CD1-CE2 3.85Å; I1119-F1122 HydrophobicContact CG1-CD2 4.46Å; I1119-F1122 HydrophobicContact CG2-CD2 4.28Å; I1119-F1122 HydrophobicContact CG2-CE2 4.41Å; I1119-F1122 PolarHBondContact O-N 2.94Å; P1120-F1122 PolarHBondContact O-N 2.86Å; F1122-R1224 VanDerWaalsContact O-CB 3.25Å; F1122-R1224 WeakPolarHBondContact O-CB 3.3Å; F1122-R1224 VanDerWaalsContact O-CG 3.26Å; F1122-R1224 WeakPolarHBondContact O-CG 3.35Å; F1122-R1224 PolarHBondContact O-N 3.43Å; F1122-K1227 HydrophobicContact CD1-CB 3.94Å; F1122-K1227 HydrophobicContact CD1-CG 4.4Å; F1122-K1227 HydrophobicContact CE1-CB 4.1Å; F1122-N1253 WeakPolarHBondContact CE1-ND2 3.41Å
1123L90.4Very high77.5Confident0 Ų063 Ų630%033%0.334CS..BIsolated β-bridgetrans-93.6131.7168.2-70170.8000109.8I1118 P1120 V1125 H1188 T1192 I1196 C1222 V1223I1118-L1123 HydrophobicContact CB-CD1 4.34Å; I1118-L1123 HydrophobicContact CB-CD2 4.45Å; I1118-L1123 HydrophobicContact CB-CG 4.39Å; I1118-L1123 HydrophobicContact CD1-CD2 4.09Å; I1118-L1123 HydrophobicContact CG2-CD1 4.23Å; I1118-L1123 HydrophobicContact CG2-CD2 3.86Å; I1118-L1123 HydrophobicContact CG2-CG 3.76Å; P1120-L1123 PolarHBondContact O-N 3.06Å; P1120-L1123 VanDerWaalsContact O-N 3.12Å; L1123-V1125 HydrophobicContact CB-CG1 4.25Å; L1123-H1188 PolarHBondContact O-CE1 3.42Å; L1123-H1188 PolarHBondContact O-NE2 2.91Å; L1123-T1192 HydrophobicContact CB-CG2 3.99Å; L1123-T1192 HydrophobicContact CD1-CG2 3.75Å; L1123-I1196 HydrophobicContact CD1-CD1 3.72Å; L1123-I1196 HydrophobicContact CD1-CG1 4.33Å; L1123-C1222 CarbonylContact C-O 3.6Å; L1123-C1222 WeakPolarHBondContact CA-O 3.44Å; L1123-C1222 HydrophobicContact CD2-CB 4.4Å; L1123-V1223 HydrophobicContact CD2-CG2 4.15Å
1124N88.4Confident74.3Confident71 Ų7168.5 Ų68.538%0.3836%0.357SS..  trans-11183.5170.3-17616.8000108.9L1178 C1222 R1224N1124-L1178 VanDerWaalsContact OD1-CD2 3.27Å; N1124-L1178 WeakPolarHBondContact OD1-CD2 3.34Å; N1124-C1222 PolarHBondContact N-O 3.48Å; N1124-R1224 HydrophobicContact CB-CG 3.79Å
1125V90Very high71Confident4 Ų476.2 Ų76.22%0.02440%0.398CS..PPolyproline II helixtrans-89140.7-177.1-64.10000111.8L1123 R1191 W1195 C1222L1123-V1125 HydrophobicContact CB-CG1 4.25Å; V1125-R1191 HydrophobicContact CG2-CB 4.5Å; V1125-R1191 HydrophobicContact CG2-CG 3.84Å; V1125-W1195 HydrophobicContact CB-CB 3.76Å; V1125-W1195 HydrophobicContact CB-CD2 3.98Å; V1125-W1195 HydrophobicContact CB-CE3 4.47Å; V1125-W1195 HydrophobicContact CB-CG 3.63Å; V1125-W1195 HydrophobicContact CG1-CB 3.91Å; V1125-W1195 HydrophobicContact CG1-CD2 3.52Å; V1125-W1195 HydrophobicContact CG1-CE3 3.53Å; V1125-W1195 HydrophobicContact CG1-CG 3.69Å; V1125-W1195 HydrophobicContact CG1-CZ3 4.27Å; V1125-W1195 HydrophobicContact CG2-CB 3.97Å; V1125-W1195 HydrophobicContact CG2-CG 4.39Å; V1125-C1222 HydrophobicContact CG1-CB 4.38Å
1126P87Confident67.9Low24 Ų2480.8 Ų80.816%0.15643%0.43CS..PPolyproline II helixtrans-59.5150.2167.3-22.133.3000111.8L650L650-P1126 HydrophobicContact CD2-CG 3.58Å; L650-P1126 HydrophobicContact CG-CG 3.91Å
1127D80.7Confident64.9Low81 Ų8184.3 Ų84.343%0.43345%0.452SS..PPolyproline II helixtrans-74.1129169.2-151.3-27.4000109.5C1129 R1191D1127-C1129 PolarHBondContact OD1-N 3.22Å; D1127-R1191 IonicContact OD2-CZ 3.99Å; D1127-R1191 IonicContact OD2-NE 3.79Å; D1127-R1191 IonicContact OD2-NH1 2.68Å; D1127-R1191 IonicContact OD2-NH2 2.7Å; D1127-R1191 PolarHBondContact OD2-NH2 3.49Å
1128L79.8Confident61.6Low30 Ų3090 Ų9016%0.15748%0.477CS..  trans-88.5-16.2177.4-64.4179.4000111.5T1130 F1160 W1195 A1198L1128-T1130 PolarHBondContact O-N 3.04Å; L1128-F1160 HydrophobicContact CB-CE1 4.08Å; L1128-F1160 HydrophobicContact CB-CZ 4.45Å; L1128-F1160 VanDerWaalsContact O-CE1 3.25Å; L1128-F1160 WeakPolarHBondContact O-CE1 3.49Å; L1128-W1195 HydrophobicContact CD1-CB 4.39Å; L1128-A1198 HydrophobicContact CD1-CB 3.71Å
1129C59.9Low58.4Low102 Ų10296.9 Ų96.969%0.68951%0.514SS*.  trans-88.9101.1179.6-68.30000110.7D1127 K1131D1127-C1129 PolarHBondContact OD1-N 3.22Å; C1129-K1131 PolarHBondContact O-N 3.5Å
1130T48.7Very low55.6Low102 Ų102102.5 Ų102.563%0.62654%0.539SS*.  trans-73.3114.6164.740.90000108.4L1128 S1132L1128-T1130 PolarHBondContact O-N 3.04Å; T1130-S1132 PolarHBondContact O-N 3.28Å
1131K34.8Very low52.7Low197 Ų197105.5 Ų105.586%0.85756%0.556SS**  trans-59.799.4172.8-69.6-179.4179.6178.90108.4C1129 N1133C1129-K1131 PolarHBondContact O-N 3.5Å; K1131-N1133 PolarHBondContact O-N 3.36Å
1132S31Very low50.1Low82 Ų82106.6 Ų106.657%0.57357%0.572SS**  trans-60118.3161.8520000106.9T1130 F1134T1130-S1132 PolarHBondContact O-N 3.28Å; S1132-F1134 PolarHBondContact O-N 3.02Å; S1132-F1134 WeakPolarHBondContact OG-CD2 3.29Å
1133N25.1Very low47.2Very low159 Ų159113.2 Ų113.285%0.8561%0.608SS**  trans-56.883.2172.5-90.3-21.9000110.2K1131 N1135K1131-N1133 PolarHBondContact O-N 3.36Å; N1133-N1135 PolarHBondContact O-N 3.03Å
1134F28Very low44.2Very low168 Ų168119 Ų11974%0.73765%0.647SS**  trans-87.791.1159.7-84.2-78.5000106.8S1132 S1136S1132-F1134 PolarHBondContact O-N 3.02Å; S1132-F1134 WeakPolarHBondContact OG-CD2 3.29Å; F1134-S1136 PolarHBondContact O-N 3.23Å
1135N26.6Very low41.2Very low165 Ų165124 Ų12488%0.88267%0.667SS**  trans-57.496.4154-85.9-17000107N1133N1133-N1135 PolarHBondContact O-N 3.03Å
1136S29.2Very low38.2Very low97 Ų97130.5 Ų130.568%0.67870%0.702SS**  trans-129114.2161.354.90000107.1F1134 Q1138F1134-S1136 PolarHBondContact O-N 3.23Å; S1136-Q1138 PolarHBondContact O-N 3Å
1137N28.3Very low35.4Very low167 Ų167137.4 Ų137.489%0.89374%0.736SS**  trans-50.4132.3174.7-81.3-32.5000109.5N1139N1137-N1139 PolarHBondContact O-N 3.31Å
1138Q25.7Very low32.7Very low172 Ų172142.2 Ų142.280%0.80475%0.753SS**  trans-46.4131.8161.8-61.4169.52.600109.1S1136S1136-Q1138 PolarHBondContact O-N 3Å
1139N26.1Very low30.1Very low149 Ų149147.7 Ų147.780%0.79778%0.783SS**  -176.8148.4124.7-86.9-17.3000110.7N1137N1137-N1139 PolarHBondContact O-N 3.31Å
1140E29.9Very low28.4Very low181 Ų181148.1 Ų148.185%0.84679%0.787SS**  trans92.783.1165.2-65.2172.8-16900117.2
1141T26.3Very low27.3Very low124 Ų124152.3 Ų152.376%0.76180%0.797SS**  trans-32.5129.213548.40000114.1
1142D28.6Very low27Very low154 Ų154148.6 Ų148.682%0.82479%0.793SS**  -173.9138.3124.5-97.5-16.6000113.3
1143D27.4Very low26.8Very low148 Ų148151.4 Ų151.479%0.79180%0.801SS**  trans9.9124157.8-83.4-31.1000120.7
1144C26.3Very low26.9Very low123 Ų123152.4 Ų152.483%0.83180%0.8SS**  170.9150.690.663.20000112.9
1145H26.4Very low26.7Very low174 Ų174148.3 Ų148.381%0.80680%0.797SS**  trans-69.5160.6-179.1-77.1-80.8000115.1
1146N26.9Very low26.8Very low142 Ų142146.4 Ų146.476%0.75979%0.794SS**  trans8192.2156.2-76.6-32.1000118.9
1147I28.6Very low26.7Very low169 Ų169150.9 Ų150.987%0.86780%0.802SS**  trans-139.5102.3131.8-57.9-176.2000109.3
1148K23.3Very low26.6Very low182 Ų182149.4 Ų149.479%0.79180%0.799SS**  trans-79.9117.8153.5-77.5177.4175.8176.90107
1149N24.5Very low26.9Very low145 Ų145145.4 Ų145.478%0.77578%0.776SS**  trans154.3148136.6-81.7-15.5000113.1
1150S26.1Very low27.5Very low110 Ų110144.6 Ų144.677%0.76977%0.766SS**  trans65.294.4171.450.10000117.1P1152S1150-P1152 WeakPolarHBondContact O-CD 3.43Å
1151F25.4Very low27.4Very low191 Ų191139.6 Ų139.684%0.83875%0.751SS**PPolyproline II helixtrans-53.7121.7155.2-82.2-95000109.4D1153F1151-D1153 PolarHBondContact O-N 3.11Å
1152P28.3Very low27.7Very low119 Ų119137 Ų13777%0.77374%0.738SS**PPolyproline II helixtrans-81.3116.3168.714.5-0.2000108.7S1150S1150-P1152 WeakPolarHBondContact O-CD 3.43Å
1153D27.1Very low27.6Very low140 Ų140132.8 Ų132.875%0.74973%0.73SS**SBendtrans-56.7140.5162.7-74.6-42.6000109.7F1151F1151-D1153 PolarHBondContact O-N 3.11Å
1154H25.5Very low27.7Very low181 Ų181135.1 Ų135.184%0.83874%0.737SS**  trans76.466.1171.1-50.4-67.1000117.4
1155A24.7Very low27.9Very low81 Ų81137.9 Ų137.967%0.66974%0.737SS**PPolyproline II helixtrans-88.2117.2147.800000109F1157A1155-F1157 PolarHBondContact O-N 3.02Å
1156P27.6Very low28.1Very low125 Ų125135.4 Ų135.481%0.81274%0.74SS**PPolyproline II helixtrans-71.6116.5-178.927.5-30.1000109.8T1158P1156-T1158 PolarHBondContact O-N 2.84Å
1157F27.5Very low28.2Very low192 Ų192133.5 Ų133.584%0.84273%0.729SS**PPolyproline II helixtrans-61.6116.1-178.7-86-94.4000111.6A1155 R1159A1155-F1157 PolarHBondContact O-N 3.02Å; F1157-R1159 PolarHBondContact O-N 2.92Å
1158T25.9Very low28.2Very low136 Ų136129.4 Ų129.483%0.83472%0.721SS**PPolyproline II helixtrans-64.5117.5167.132.40000109.7P1156P1156-T1158 PolarHBondContact O-N 2.84Å
1159R33.5Very low28.6Very low87 Ų87126.5 Ų126.533%0.32872%0.724SS.*PPolyproline II helixtrans-71.1143.4-174-74.2-175.8-163.11495.6113.1T681 L684 Q688 F1157 S1161T681-R1159 PolarHBondContact O-NH1 3.2Å; L684-R1159 VanDerWaalsContact CB-NH1 3.33Å; Q688-R1159 VanDerWaalsContact CD-NH2 3.31Å; F1157-R1159 PolarHBondContact O-N 2.92Å; R1159-S1161 PolarHBondContact O-N 2.92Å
1160F37.4Very low28.8Very low133 Ų133124.9 Ų124.958%0.58371%0.711SS**PPolyproline II helixtrans-56.6118.1-170.5-51.6-80000114L1128L1128-F1160 HydrophobicContact CB-CE1 4.08Å; L1128-F1160 HydrophobicContact CB-CZ 4.45Å; L1128-F1160 VanDerWaalsContact O-CE1 3.25Å; L1128-F1160 WeakPolarHBondContact O-CE1 3.49Å
1161S28.4Very low29.2Very low75 Ų75125.1 Ų125.152%0.52471%0.713SS.*PPolyproline II helixtrans-87.2127.5168.8-171.80000109.7N677 R1159 G1163N677-S1161 PolarHBondContact ND2-OG 2.82Å; R1159-S1161 PolarHBondContact O-N 2.92Å; S1161-G1163 PolarHBondContact O-N 3.24Å; S1161-G1163 VanDerWaalsContact O-N 3.09Å
1162S31.5Very low29.5Very low70 Ų70122.6 Ų122.649%0.4971%0.708SS.*  trans-72.395.8173.857.20000110
1163G27.9Very low29.7Very low65 Ų65121.5 Ų121.567%0.6770%0.696SS**  trans-75125.9168.600000110.8S1161 E1165S1161-G1163 PolarHBondContact O-N 3.24Å; S1161-G1163 VanDerWaalsContact O-N 3.09Å; G1163-E1165 PolarHBondContact O-N 3.32Å
1164E28.9Very low30.2Very low198 Ų198120.4 Ų120.493%0.92568%0.681SS**  trans-74.3102.9170.9-6617516500108.6
1165E30.1Very low30.9Very low180 Ų180116.1 Ų116.184%0.84167%0.672SS**PPolyproline II helixtrans-102.1125.7167-75.6-173.5167.100109.1G1163 D1167G1163-E1165 PolarHBondContact O-N 3.32Å; E1165-D1167 PolarHBondContact O-N 3.39Å
1166S31.4Very low31.6Very low122 Ų122117.5 Ų117.585%0.85367%0.665SS**PPolyproline II helixtrans-64.5120.4-176.749.90000112.3A1168S1166-A1168 PolarHBondContact O-N 3.29Å
1167D28.9Very low32.3Very low102 Ų102117.5 Ų117.555%0.54565%0.654SS.*PPolyproline II helixtrans-69.8116.4174.5-69.8-66.8000112K644 E1165K644-D1167 WeakPolarHBondContact CE-OD2 3.33Å; K644-D1167 IonicContact NZ-OD2 3.56Å; K644-D1167 PolarHBondContact NZ-OD2 3.13Å; E1165-D1167 PolarHBondContact O-N 3.39Å
1168A29.4Very low33Very low84 Ų84111.8 Ų111.869%0.69463%0.631SS**  trans-133.5108.6158.100000109.7S1166S1166-A1168 PolarHBondContact O-N 3.29Å
1169S30.4Very low34.1Very low121 Ų121112.4 Ų112.485%0.84663%0.625SS**  trans63.753161.256.10000118.7
1170E29.4Very low34.6Very low110 Ų110114.7 Ų114.751%0.51464%0.637SS.*  trans-90.598.4165.8-75.5-167.2172.200111.8R1174E1170-R1174 IonicContact OE1-CZ 2.69Å; E1170-R1174 IonicContact OE1-NH1 3.7Å; E1170-R1174 PolarHBondContact OE1-NH1 3.12Å; E1170-R1174 IonicContact OE2-CZ 3.38Å; E1170-R1174 IonicContact OE2-NH1 3.24Å; E1170-R1174 PolarHBondContact OE2-NH1 2.92Å
1171S34.8Very low34.9Very low115 Ų115110.8 Ų110.880%0.80463%0.629SS**SBendtrans-142.73.8157.362.40000116
1172N32Very low35.9Very low138 Ų138111.3 Ų111.374%0.73863%0.629SS**SBendtrans-150.2-2.6170.9-111.7-14.4000116.5
1173D32.2Very low37Very low97 Ų97115 Ų11552%0.51964%0.643SS.*SBendtrans-89.9-26.6-173.7-139.5-5.2000113.5S1175 Q1176 E1177D1173-S1175 PolarHBondContact O-N 2.86Å; D1173-Q1176 PolarHBondContact O-N 3.36Å; D1173-E1177 PolarHBondContact O-N 3.28Å
1174R36.5Very low39Very low116 Ų116115.7 Ų115.744%0.43863%0.631SS.*Hα-helixtrans-68.2-31.4-173.4-140.2175.7176.9142.59.8114.3E1170 Q1176 L1178E1170-R1174 IonicContact OE1-CZ 2.69Å; E1170-R1174 IonicContact OE1-NH1 3.7Å; E1170-R1174 PolarHBondContact OE1-NH1 3.12Å; E1170-R1174 IonicContact OE2-CZ 3.38Å; E1170-R1174 IonicContact OE2-NH1 3.24Å; E1170-R1174 PolarHBondContact OE2-NH1 2.92Å; R1174-Q1176 VanDerWaalsContact C-N 3.27Å; R1174-Q1176 PolarHBondContact O-N 2.59Å; R1174-L1178 WeakPolarHBondContact O-CB 3.42Å; R1174-L1178 PolarHBondContact O-N 2.99Å
1175S41.3Very low41.2Very low91 Ų91110.9 Ų110.964%0.63662%0.617SS**Hα-helixtrans-67.4-30172.9-60.40000111.9D1173 E1179D1173-S1175 PolarHBondContact O-N 2.86Å; S1175-E1179 PolarHBondContact O-N 3.48Å; S1175-E1179 VanDerWaalsContact O-N 3.15Å
1176Q38.5Very low43.6Very low111 Ų111109.6 Ų109.652%0.51961%0.611SS.*Hα-helixtrans-82.4-36.2178.2-63.2-174.223.300112D1173 R1174 K1180D1173-Q1176 PolarHBondContact O-N 3.36Å; R1174-Q1176 VanDerWaalsContact C-N 3.27Å; R1174-Q1176 PolarHBondContact O-N 2.59Å; Q1176-K1180 WeakPolarHBondContact O-CG 3.3Å; Q1176-K1180 PolarHBondContact O-N 2.99Å
1177E41.6Very low46Very low125 Ų125105.7 Ų105.758%0.58459%0.586SS**Hα-helixtrans-66.3-37.9171.3-97.1-173.7154.700112.5D1173 K1180 A1181D1173-E1177 PolarHBondContact O-N 3.28Å; E1177-K1180 CarbonylContact O-C 3.58Å; E1177-K1180 WeakPolarHBondContact O-CB 3.27Å; E1177-K1180 PolarHBondContact O-N 2.67Å; E1177-A1181 PolarHBondContact O-N 3.04Å
1178L43.7Very low48.5Very low71 Ų71103 Ų10337%0.37257%0.57SS.*Hα-helixtrans-71.1-37.3175.1-120.884.6000112.7N1124 R1174 K1180 A1181 V1182N1124-L1178 VanDerWaalsContact OD1-CD2 3.27Å; N1124-L1178 WeakPolarHBondContact OD1-CD2 3.34Å; R1174-L1178 WeakPolarHBondContact O-CB 3.42Å; R1174-L1178 PolarHBondContact O-N 2.99Å; L1178-K1180 PolarHBondContact O-N 3.46Å; L1178-A1181 PolarHBondContact O-N 3.43Å; L1178-A1181 VanDerWaalsContact O-N 3.15Å; L1178-V1182 WeakPolarHBondContact O-CG2 3.46Å; L1178-V1182 PolarHBondContact O-N 3.17Å
1179E47.8Very low51.2Low149 Ų149104.8 Ų104.870%0.69656%0.564SS**Hα-helixtrans-64.6-28.7171.2-88.4-170.6155.300112.1S1175S1175-E1179 PolarHBondContact O-N 3.48Å; S1175-E1179 VanDerWaalsContact O-N 3.15Å
1180K44.4Very low53.8Low135 Ų135103.9 Ų103.959%0.58755%0.549SS*.Hα-helixtrans-75.3-31.6170.1-74.8174-176.7170.50112.8Q1176 E1177 L1178 V1182 L1183Q1176-K1180 WeakPolarHBondContact O-CG 3.3Å; Q1176-K1180 PolarHBondContact O-N 2.99Å; E1177-K1180 CarbonylContact O-C 3.58Å; E1177-K1180 WeakPolarHBondContact O-CB 3.27Å; E1177-K1180 PolarHBondContact O-N 2.67Å; L1178-K1180 PolarHBondContact O-N 3.46Å; K1180-V1182 PolarHBondContact O-N 2.65Å; K1180-L1183 HydrophobicContact CB-CD1 4.32Å; K1180-L1183 WeakPolarHBondContact O-CB 3.38Å; K1180-L1183 VanDerWaalsContact O-CD1 3.28Å; K1180-L1183 WeakPolarHBondContact O-CD1 3.46Å; K1180-L1183 WeakPolarHBondContact O-CG 3.24Å; K1180-L1183 PolarHBondContact O-N 3.17Å
1181A44.7Very low56.6Low51 Ų51102.2 Ų102.242%0.42154%0.538SS..Hα-helixtrans-68-23.2174.700000112.8E1177 L1178 L1183 D1184E1177-A1181 PolarHBondContact O-N 3.04Å; L1178-A1181 PolarHBondContact O-N 3.43Å; L1178-A1181 VanDerWaalsContact O-N 3.15Å; A1181-L1183 PolarHBondContact O-N 2.98Å; A1181-L1183 VanDerWaalsContact O-N 3.12Å; A1181-D1184 PolarHBondContact O-N 2.86Å
1182V49Very low59.2Low86 Ų8696.9 Ų96.952%0.52150%0.501SS..THydrogen-bonded Turntrans-66.3-4.7169.2178.10000112.5L1178 K1180 D1184L1178-V1182 WeakPolarHBondContact O-CG2 3.46Å; L1178-V1182 PolarHBondContact O-N 3.17Å; K1180-V1182 PolarHBondContact O-N 2.65Å; V1182-D1184 PolarHBondContact O-N 3.17Å
1183L54.2Low62Low147 Ų14797.5 Ų97.577%0.7749%0.493SS*.THydrogen-bonded Turntrans-67.6-16.3173.8-67.8168.9000113.5K1180 A1181K1180-L1183 HydrophobicContact CB-CD1 4.32Å; K1180-L1183 WeakPolarHBondContact O-CB 3.38Å; K1180-L1183 VanDerWaalsContact O-CD1 3.28Å; K1180-L1183 WeakPolarHBondContact O-CD1 3.46Å; K1180-L1183 WeakPolarHBondContact O-CG 3.24Å; K1180-L1183 PolarHBondContact O-N 3.17Å; A1181-L1183 PolarHBondContact O-N 2.98Å; A1181-L1183 VanDerWaalsContact O-N 3.12Å
1184D70.2Confident64.8Low81 Ų8195.4 Ų95.443%0.43349%0.489SS..  trans-12193.2171.2-171.7-6.7000111.5A1181 V1182 E1186 A1187 H1188A1181-D1184 PolarHBondContact O-N 2.86Å; V1182-D1184 PolarHBondContact O-N 3.17Å; D1184-E1186 PolarHBondContact O-N 3.02Å; D1184-E1186 WeakPolarHBondContact OD1-CB 2.89Å; D1184-E1186 PolarHBondContact OD1-N 2.97Å; D1184-A1187 HydrophobicContact CB-CB 3.9Å; D1184-A1187 PolarHBondContact O-N 3.24Å; D1184-A1187 PolarHBondContact OD1-N 3.28Å; D1184-A1187 WeakPolarHBondContact OD2-CB 3.45Å; D1184-H1188 PolarHBondContact O-N 3.26Å
1185P75.4Confident67.5Low96 Ų9689.9 Ų89.962%0.62347%0.468SS*.Hα-helixtrans-56.4-33.5176.1-25.635000113.9H1188 E1189P1185-H1188 PolarHBondContact O-N 3.17Å; P1185-E1189 WeakPolarHBondContact O-CB 3.48Å; P1185-E1189 PolarHBondContact O-N 3.42Å
1186E79.3Confident70Confident153 Ų15387.1 Ų87.172%0.71545%0.446SS*.Hα-helixtrans-72.5-40.9-177.4-169.4172.3-174.200110.7D1184 H1188 E1189 L1190D1184-E1186 PolarHBondContact O-N 3.02Å; D1184-E1186 WeakPolarHBondContact OD1-CB 2.89Å; D1184-E1186 PolarHBondContact OD1-N 2.97Å; E1186-H1188 VanDerWaalsContact C-N 3.35Å; E1186-H1188 PolarHBondContact O-N 3.03Å; E1186-E1189 PolarHBondContact O-N 3.07Å; E1186-L1190 WeakPolarHBondContact O-CB 3.35Å; E1186-L1190 PolarHBondContact O-N 3.04Å
1187A81.9Confident72.6Confident40 Ų4085.6 Ų85.633%0.33144%0.444SS..Hα-helixtrans-63.3-38.517300000112.7D1184 R1191D1184-A1187 HydrophobicContact CB-CB 3.9Å; D1184-A1187 PolarHBondContact O-N 3.24Å; D1184-A1187 PolarHBondContact OD1-N 3.28Å; D1184-A1187 WeakPolarHBondContact OD2-CB 3.45Å; A1187-R1191 VanDerWaalsContact O-CB 3.31Å; A1187-R1191 WeakPolarHBondContact O-CB 3.29Å; A1187-R1191 PolarHBondContact O-N 3.35Å
1188H83Confident75.1Confident45 Ų4581 Ų8121%0.20843%0.428CS..Hα-helixtrans-65.7-43.4175.6-178.672000111.9P1120 L1123 D1184 P1185 E1186 R1191 T1192P1120-H1188 PolarHBondContact O-NE2 3.31Å; L1123-H1188 PolarHBondContact O-CE1 3.42Å; L1123-H1188 PolarHBondContact O-NE2 2.91Å; D1184-H1188 PolarHBondContact O-N 3.26Å; P1185-H1188 PolarHBondContact O-N 3.17Å; E1186-H1188 VanDerWaalsContact C-N 3.35Å; E1186-H1188 PolarHBondContact O-N 3.03Å; H1188-R1191 PolarHBondContact O-N 3.5Å; H1188-T1192 PolarHBondContact NE2-OG1 2.92Å; H1188-T1192 WeakPolarHBondContact O-CB 3.45Å; H1188-T1192 PolarHBondContact O-N 2.96Å; H1188-T1192 PolarHBondContact O-OG1 2.95Å
1189E84.7Confident77.6Confident123 Ų12377.8 Ų77.858%0.57541%0.411SS*.Hα-helixtrans-62.5-45.7176.9-174.5172.6178.900111.4P1185 E1186 R1191 T1192 R1193P1185-E1189 WeakPolarHBondContact O-CB 3.48Å; P1185-E1189 PolarHBondContact O-N 3.42Å; E1186-E1189 PolarHBondContact O-N 3.07Å; E1189-R1191 PolarHBondContact O-N 3.19Å; E1189-T1192 PolarHBondContact O-N 2.87Å; E1189-R1193 WeakPolarHBondContact O-CB 3.43Å; E1189-R1193 PolarHBondContact O-N 2.91Å
1190L85.9Confident79.9Confident102 Ų10274.9 Ų74.953%0.53439%0.393SS..Hα-helixtrans-61.9-44.2177.7-173.664.2000112.1E1186 R1193 A1194E1186-L1190 WeakPolarHBondContact O-CB 3.35Å; E1186-L1190 PolarHBondContact O-N 3.04Å; L1190-R1193 PolarHBondContact O-N 3.2Å; L1190-A1194 WeakPolarHBondContact O-CB 3.44Å; L1190-A1194 PolarHBondContact O-N 3.11Å
1191R88.3Confident82.2Confident75 Ų7571.4 Ų71.428%0.28338%0.384SS..Hα-helixtrans-60.6-45.9175.6-174.5-168.4-57.2-142.6-16.6111.7V1125 D1127 A1187 H1188 E1189 R1193 A1194 W1195V1125-R1191 HydrophobicContact CG2-CB 4.5Å; V1125-R1191 HydrophobicContact CG2-CG 3.84Å; D1127-R1191 IonicContact OD2-CZ 3.99Å; D1127-R1191 IonicContact OD2-NE 3.79Å; D1127-R1191 IonicContact OD2-NH1 2.68Å; D1127-R1191 IonicContact OD2-NH2 2.7Å; D1127-R1191 PolarHBondContact OD2-NH2 3.49Å; A1187-R1191 VanDerWaalsContact O-CB 3.31Å; A1187-R1191 WeakPolarHBondContact O-CB 3.29Å; A1187-R1191 PolarHBondContact O-N 3.35Å; H1188-R1191 PolarHBondContact O-N 3.5Å; E1189-R1191 PolarHBondContact O-N 3.19Å; R1191-R1193 PolarHBondContact O-N 3.44Å; R1191-A1194 PolarHBondContact O-N 2.77Å; R1191-W1195 WeakPolarHBondContact O-CB 3.4Å; R1191-W1195 PolarHBondContact O-N 2.66Å
1192T89.8Confident84.6Confident2 Ų271.6 Ų71.61%0.01238%0.376CS..Hα-helixtrans-60.6-45.5177.9-57.40000110.9P1120 L1123 H1188 E1189 W1195 I1196P1120-T1192 HydrophobicContact CB-CG2 4.2Å; L1123-T1192 HydrophobicContact CB-CG2 3.99Å; L1123-T1192 HydrophobicContact CD1-CG2 3.75Å; H1188-T1192 PolarHBondContact NE2-OG1 2.92Å; H1188-T1192 WeakPolarHBondContact O-CB 3.45Å; H1188-T1192 PolarHBondContact O-N 2.96Å; H1188-T1192 PolarHBondContact O-OG1 2.95Å; E1189-T1192 PolarHBondContact O-N 2.87Å; T1192-W1195 PolarHBondContact O-N 3.28Å; T1192-I1196 HydrophobicContact CG2-CD1 3.93Å; T1192-I1196 HydrophobicContact CG2-CG1 4.47Å; T1192-I1196 WeakPolarHBondContact O-CG1 3.44Å; T1192-I1196 PolarHBondContact O-N 3.37Å
1193R89.8Confident86.8Confident151 Ų15167.5 Ų67.557%0.5735%0.351SS*.Hα-helixtrans-63.4-43.6177.5-170.5172.367.8101.1-0.6112.5E1189 L1190 R1191 T1197E1189-R1193 WeakPolarHBondContact O-CB 3.43Å; E1189-R1193 PolarHBondContact O-N 2.91Å; L1190-R1193 PolarHBondContact O-N 3.2Å; R1191-R1193 PolarHBondContact O-N 3.44Å; R1193-T1197 WeakPolarHBondContact O-CB 3.42Å; R1193-T1197 PolarHBondContact O-N 3.32Å; R1193-T1197 PolarHBondContact O-OG1 3.33Å
1194A90.8Very high88.7Confident53 Ų5365.8 Ų65.844%0.43834%0.339SS..Hα-helixtrans-61.5-44.8176.800000111.5L1190 R1191 T1197 A1198L1190-A1194 WeakPolarHBondContact O-CB 3.44Å; L1190-A1194 PolarHBondContact O-N 3.11Å; R1191-A1194 PolarHBondContact O-N 2.77Å; A1194-T1197 PolarHBondContact O-N 2.89Å; A1194-A1198 PolarHBondContact O-N 3.37Å; A1194-A1198 VanDerWaalsContact O-N 3.07Å
1195W94.1Very high89.8Confident0 Ų066.4 Ų66.40%034%0.342CS..Hα-helixtrans-65.2-47.3178.4-173.494.5000112.6L648 V1125 L1128 R1191 T1192 T1197 A1198 W1199 L1219 C1222L648-W1195 PolarHBondContact O-NE1 3.47Å; V1125-W1195 HydrophobicContact CB-CB 3.76Å; V1125-W1195 HydrophobicContact CB-CD2 3.98Å; V1125-W1195 HydrophobicContact CB-CE3 4.47Å; V1125-W1195 HydrophobicContact CB-CG 3.63Å; V1125-W1195 HydrophobicContact CG1-CB 3.91Å; V1125-W1195 HydrophobicContact CG1-CD2 3.52Å; V1125-W1195 HydrophobicContact CG1-CE3 3.53Å; V1125-W1195 HydrophobicContact CG1-CG 3.69Å; V1125-W1195 HydrophobicContact CG1-CZ3 4.27Å; V1125-W1195 HydrophobicContact CG2-CB 3.97Å; V1125-W1195 HydrophobicContact CG2-CG 4.39Å; L1128-W1195 HydrophobicContact CD1-CB 4.39Å; R1191-W1195 WeakPolarHBondContact O-CB 3.4Å; R1191-W1195 PolarHBondContact O-N 2.66Å; T1192-W1195 PolarHBondContact O-N 3.28Å; W1195-T1197 PolarHBondContact O-N 2.76Å; W1195-A1198 PolarHBondContact O-N 2.81Å; W1195-W1199 HydrophobicContact CD2-CB 4.43Å; W1195-W1199 HydrophobicContact CE3-CB 4.11Å; W1195-W1199 HydrophobicContact CH2-CB 4.04Å; W1195-W1199 AromaticContact CH2-CD1 3.6Å; W1195-W1199 AromaticContact CH2-CG 3.82Å; W1195-W1199 HydrophobicContact CH2-CG 3.82Å; W1195-W1199 HydrophobicContact CZ2-CB 4.36Å; W1195-W1199 HydrophobicContact CZ2-CG 4.42Å; W1195-W1199 HydrophobicContact CZ3-CB 3.91Å; W1195-W1199 HydrophobicContact CZ3-CD2 4.48Å; W1195-W1199 AromaticContact CZ3-CG 3.92Å; W1195-W1199 HydrophobicContact CZ3-CG 3.92Å; W1195-W1199 WeakPolarHBondContact O-CB 3.34Å; W1195-W1199 PolarHBondContact O-N 3.14Å; W1195-L1219 HydrophobicContact CZ3-CD1 4.33Å; W1195-C1222 HydrophobicContact CH2-CB 4.26Å
1196I93.3Very high90.6Very high33 Ų3362.1 Ų62.117%0.16932%0.315CS..Hα-helixtrans-59-38.7177.4-71173.9000110.7L1123 T1192 W1199 R1200L1123-I1196 HydrophobicContact CD1-CD1 3.72Å; L1123-I1196 HydrophobicContact CD1-CG1 4.33Å; T1192-I1196 HydrophobicContact CG2-CD1 3.93Å; T1192-I1196 HydrophobicContact CG2-CG1 4.47Å; T1192-I1196 WeakPolarHBondContact O-CG1 3.44Å; T1192-I1196 PolarHBondContact O-N 3.37Å; I1196-W1199 PolarHBondContact O-N 2.92Å; I1196-R1200 WeakPolarHBondContact O-CB 3.37Å; I1196-R1200 PolarHBondContact O-N 3.3Å
1197T93.5Very high91.2Very high79 Ų7959 Ų5949%0.48530%0.297SS..Hα-helixtrans-65.6-44.7178.6-54.50000111.6R1193 A1194 W1195 R1200 T1201R1193-T1197 WeakPolarHBondContact O-CB 3.42Å; R1193-T1197 PolarHBondContact O-N 3.32Å; R1193-T1197 PolarHBondContact O-OG1 3.33Å; A1194-T1197 PolarHBondContact O-N 2.89Å; W1195-T1197 PolarHBondContact O-N 2.76Å; T1197-R1200 PolarHBondContact O-N 3.35Å; T1197-T1201 PolarHBondContact O-N 3.4Å; T1197-T1201 VanDerWaalsContact O-N 3.13Å; T1197-T1201 PolarHBondContact O-OG1 3.49Å
1198A92.9Very high91.7Very high30 Ų3057.2 Ų57.225%0.24828%0.282CS..Hα-helixtrans-64.2-47.8175.600000111.5L1128 A1194 W1195 R1200 T1201 E1202L1128-A1198 HydrophobicContact CD1-CB 3.71Å; A1194-A1198 PolarHBondContact O-N 3.37Å; A1194-A1198 VanDerWaalsContact O-N 3.07Å; W1195-A1198 PolarHBondContact O-N 2.81Å; A1198-R1200 VanDerWaalsContact C-N 3.34Å; A1198-R1200 PolarHBondContact O-N 3.42Å; A1198-T1201 WeakPolarHBondContact O-CB 3.34Å; A1198-T1201 PolarHBondContact O-N 3.4Å; A1198-E1202 PolarHBondContact O-N 3.08Å; A1198-E1202 VanDerWaalsContact O-N 3.1Å
1199W96.2Very high92.3Very high2 Ų255.7 Ų55.71%0.00828%0.275CS..Hα-helixtrans-58.9-43.3176.6173.992.2000111.9L648 L1111 I1112 A1115 W1195 I1196 T1201 E1202 V1203 L1215 L1219L648-W1199 HydrophobicContact CD1-CB 4.15Å; L648-W1199 HydrophobicContact CD1-CG 4.27Å; L1111-W1199 HydrophobicContact CD1-CH2 4.33Å; L1111-W1199 HydrophobicContact CD1-CZ2 4.07Å; L1111-W1199 HydrophobicContact CD2-CH2 4.47Å; L1111-W1199 HydrophobicContact CD2-CZ2 4.07Å; L1111-W1199 HydrophobicContact CG-CH2 3.8Å; L1111-W1199 HydrophobicContact CG-CZ2 3.76Å; I1112-W1199 HydrophobicContact CG1-CZ3 4.4Å; A1115-W1199 HydrophobicContact CB-CE3 4.26Å; A1115-W1199 HydrophobicContact CB-CH2 3.38Å; A1115-W1199 HydrophobicContact CB-CZ2 4.29Å; A1115-W1199 HydrophobicContact CB-CZ3 3.37Å; W1195-W1199 HydrophobicContact CD2-CB 4.43Å; W1195-W1199 HydrophobicContact CE3-CB 4.11Å; W1195-W1199 HydrophobicContact CH2-CB 4.04Å; W1195-W1199 AromaticContact CH2-CD1 3.6Å; W1195-W1199 AromaticContact CH2-CG 3.82Å; W1195-W1199 HydrophobicContact CH2-CG 3.82Å; W1195-W1199 HydrophobicContact CZ2-CB 4.36Å; W1195-W1199 HydrophobicContact CZ2-CG 4.42Å; W1195-W1199 HydrophobicContact CZ3-CB 3.91Å; W1195-W1199 HydrophobicContact CZ3-CD2 4.48Å; W1195-W1199 AromaticContact CZ3-CG 3.92Å; W1195-W1199 HydrophobicContact CZ3-CG 3.92Å; W1195-W1199 WeakPolarHBondContact O-CB 3.34Å; W1195-W1199 PolarHBondContact O-N 3.14Å; I1196-W1199 PolarHBondContact O-N 2.92Å; W1199-T1201 VanDerWaalsContact C-N 3.31Å; W1199-T1201 PolarHBondContact O-N 3.01Å; W1199-E1202 WeakPolarHBondContact O-CB 3.31Å; W1199-E1202 PolarHBondContact O-N 3.37Å; W1199-E1202 VanDerWaalsContact O-N 3.14Å; W1199-V1203 HydrophobicContact CD2-CG2 3.83Å; W1199-V1203 HydrophobicContact CE3-CG2 4.12Å; W1199-V1203 HydrophobicContact CH2-CG2 3.84Å; W1199-V1203 HydrophobicContact CZ2-CG2 3.54Å; W1199-V1203 HydrophobicContact CZ3-CG2 4.11Å; W1199-V1203 WeakPolarHBondContact O-CG2 3.47Å; W1199-V1203 PolarHBondContact O-N 3.3Å; W1199-L1215 PolarHBondContact NE1-O 3.07Å; W1199-L1219 HydrophobicContact CH2-CD2 4.27Å; W1199-L1219 HydrophobicContact CZ2-CB 4.01Å; W1199-L1219 HydrophobicContact CZ2-CD1 4.46Å; W1199-L1219 HydrophobicContact CZ2-CD2 4.06Å; W1199-L1219 HydrophobicContact CZ2-CG 4.42Å
1200R96.2Very high92.8Very high88 Ų8850 Ų5033%0.33225%0.249SC..Hα-helixtrans-58.9-44176.8-176.8-171.7-160.6142.119.9111.6I1112 E1116 I1196 T1197 A1198 E1202 V1203 Q1204I1112-R1200 HydrophobicContact CD1-CG 4.18Å; I1112-R1200 HydrophobicContact CG1-CG 4.45Å; E1116-R1200 IonicContact OE1-CZ 2.72Å; E1116-R1200 IonicContact OE1-NE 3.83Å; E1116-R1200 IonicContact OE1-NH1 2.82Å; E1116-R1200 PolarHBondContact OE1-NH1 2.71Å; E1116-R1200 IonicContact OE1-NH2 3.51Å; E1116-R1200 PolarHBondContact OE1-NH2 3.24Å; E1116-R1200 IonicContact OE2-NH2 2.82Å; I1196-R1200 WeakPolarHBondContact O-CB 3.37Å; I1196-R1200 PolarHBondContact O-N 3.3Å; T1197-R1200 PolarHBondContact O-N 3.35Å; A1198-R1200 VanDerWaalsContact C-N 3.34Å; A1198-R1200 PolarHBondContact O-N 3.42Å; R1200-E1202 VanDerWaalsContact C-N 3.29Å; R1200-E1202 PolarHBondContact O-N 2.93Å; R1200-V1203 PolarHBondContact O-N 3.32Å; R1200-Q1204 WeakPolarHBondContact O-CG 3.32Å; R1200-Q1204 PolarHBondContact O-N 3.21Å
1201T93.9Very high93.3Very high63 Ų6345.8 Ų45.839%0.38723%0.226SC..Hα-helixtrans-60-43.3177.9-550000110.3T1197 A1198 W1199 Q1204 N1205T1197-T1201 PolarHBondContact O-N 3.4Å; T1197-T1201 VanDerWaalsContact O-N 3.13Å; T1197-T1201 PolarHBondContact O-OG1 3.49Å; A1198-T1201 WeakPolarHBondContact O-CB 3.34Å; A1198-T1201 PolarHBondContact O-N 3.4Å; W1199-T1201 VanDerWaalsContact C-N 3.31Å; W1199-T1201 PolarHBondContact O-N 3.01Å; T1201-Q1204 PolarHBondContact O-N 3.25Å; T1201-N1205 VanDerWaalsContact O-CB 3.32Å; T1201-N1205 WeakPolarHBondContact O-CB 3.5Å; T1201-N1205 PolarHBondContact O-N 2.95Å; T1201-N1205 PolarHBondContact O-ND2 2.82Å; T1201-N1205 VanDerWaalsContact O-ND2 3.13Å
1202E94.2Very high93.6Very high55 Ų5542.2 Ų42.226%0.25721%0.212SC..Hα-helixtrans-65.3-38.5175.6-70.5-58.2130.200113.3L648 A1198 W1199 R1200 N1205 A1206 R1211 L1215L648-E1202 HydrophobicContact CD2-CG 4.08Å; A1198-E1202 PolarHBondContact O-N 3.08Å; A1198-E1202 VanDerWaalsContact O-N 3.1Å; W1199-E1202 WeakPolarHBondContact O-CB 3.31Å; W1199-E1202 PolarHBondContact O-N 3.37Å; W1199-E1202 VanDerWaalsContact O-N 3.14Å; R1200-E1202 VanDerWaalsContact C-N 3.29Å; R1200-E1202 PolarHBondContact O-N 2.93Å; E1202-N1205 PolarHBondContact O-N 2.95Å; E1202-A1206 PolarHBondContact O-N 3.26Å; E1202-R1211 IonicContact OE2-CZ 2.57Å; E1202-R1211 IonicContact OE2-NH2 2.87Å; E1202-R1211 PolarHBondContact OE2-NH2 3.15Å; E1202-L1215 HydrophobicContact CB-CD1 4.23Å; E1202-L1215 HydrophobicContact CB-CD2 3.94Å; E1202-L1215 WeakPolarHBondContact O-CD1 3.48Å
1203V96.1Very high93.9Very high0 Ų042.3 Ų42.30%021%0.213CC..Hα-helixtrans-65.2-42.4176.1170.60000111.5V1108 L1111 I1112 W1199 R1200 N1205 A1206 L1212 L1215V1108-V1203 HydrophobicContact CG1-CG1 4.1Å; L1111-V1203 HydrophobicContact CD2-CG1 4.07Å; L1111-V1203 HydrophobicContact CD2-CG2 4.07Å; I1112-V1203 HydrophobicContact CD1-CG1 4.18Å; I1112-V1203 HydrophobicContact CG1-CG1 3.91Å; W1199-V1203 HydrophobicContact CD2-CG2 3.83Å; W1199-V1203 HydrophobicContact CE3-CG2 4.12Å; W1199-V1203 HydrophobicContact CH2-CG2 3.84Å; W1199-V1203 HydrophobicContact CZ2-CG2 3.54Å; W1199-V1203 HydrophobicContact CZ3-CG2 4.11Å; W1199-V1203 WeakPolarHBondContact O-CG2 3.47Å; W1199-V1203 PolarHBondContact O-N 3.3Å; R1200-V1203 PolarHBondContact O-N 3.32Å; V1203-N1205 VanDerWaalsContact C-N 3.33Å; V1203-A1206 WeakPolarHBondContact O-CB 3.45Å; V1203-A1206 PolarHBondContact O-N 2.92Å; V1203-L1212 HydrophobicContact CG1-CD2 4.17Å; V1203-L1215 HydrophobicContact CB-CD1 4.38Å; V1203-L1215 HydrophobicContact CG2-CB 3.96Å; V1203-L1215 HydrophobicContact CG2-CD1 3.83Å; V1203-L1215 HydrophobicContact CG2-CG 4.38Å
1204Q94.4Very high94.2Very high110 Ų11035.1 Ų35.151%0.51419%0.185SC..Hα-helixtrans-67.9-34.1176.7-70.9175-31.500112.3I1112 R1200 T1201 A1206I1112-Q1204 HydrophobicContact CD1-CG 3.96Å; R1200-Q1204 WeakPolarHBondContact O-CG 3.32Å; R1200-Q1204 PolarHBondContact O-N 3.21Å; T1201-Q1204 PolarHBondContact O-N 3.25Å; Q1204-A1206 VanDerWaalsContact C-N 3.35Å
1205N91.6Very high94.4Very high94 Ų9432.6 Ų32.650%0.50317%0.165SC..Hα-helixtrans-82.7-9.6178.7-69.7-25.7000113.8T1201 E1202 V1203 R1207T1201-N1205 VanDerWaalsContact O-CB 3.32Å; T1201-N1205 WeakPolarHBondContact O-CB 3.5Å; T1201-N1205 PolarHBondContact O-N 2.95Å; T1201-N1205 PolarHBondContact O-ND2 2.82Å; T1201-N1205 VanDerWaalsContact O-ND2 3.13Å; E1202-N1205 PolarHBondContact O-N 2.95Å; V1203-N1205 VanDerWaalsContact C-N 3.33Å; N1205-R1207 PolarHBondContact O-N 3.33Å
1206A93.6Very high94.5Very high7 Ų733.2 Ų33.26%0.05817%0.167CC..  trans-62.4119.7-176.200000111.6K1104 E1202 V1203 Q1204 R1211 L1212 L1215K1104-A1206 VanDerWaalsContact CE-O 3.32Å; K1104-A1206 WeakPolarHBondContact CE-O 3.05Å; K1104-A1206 PolarHBondContact NZ-O 3.18Å; E1202-A1206 PolarHBondContact O-N 3.26Å; V1203-A1206 WeakPolarHBondContact O-CB 3.45Å; V1203-A1206 PolarHBondContact O-N 2.92Å; Q1204-A1206 VanDerWaalsContact C-N 3.35Å; A1206-R1211 HydrophobicContact CB-CB 4.2Å; A1206-R1211 HydrophobicContact CB-CG 3.58Å; A1206-L1212 HydrophobicContact CB-CD2 3.56Å; A1206-L1212 HydrophobicContact CB-CG 3.82Å; A1206-L1215 HydrophobicContact CB-CD1 4.05Å
1207R90.6Very high94.5Very high88 Ų8832 Ų3233%0.33216%0.163SC..  trans-92.1-27.6-178.6-68.9-174.5-179.7156.73.1114.1L687 H690 S710 K1104 N1205L687-R1207 PolarHBondContact O-NH1 3.05Å; H690-R1207 PolarHBondContact CE1-NH1 3.49Å; H690-R1207 VanDerWaalsContact CE1-NH1 3.25Å; H690-R1207 PolarHBondContact CE1-NH2 3.1Å; H690-R1207 PolarHBondContact NE2-NH2 3.05Å; S710-R1207 WeakPolarHBondContact O-CB 3.23Å; K1104-R1207 PolarHBondContact NZ-O 3.2Å; N1205-R1207 PolarHBondContact O-N 3.33Å
1208T93.7Very high94.5Very high2 Ų228.3 Ų28.31%0.01214%0.14CC..SBendtrans-111153-177.4640000111.3D713 T1210 R1211 L1212D713-T1208 WeakPolarHBondContact OD1-CB 3.33Å; T1208-T1210 VanDerWaalsContact C-N 3.3Å; T1208-T1210 PolarHBondContact OG1-OG1 2.94Å; T1208-R1211 PolarHBondContact O-N 3.02Å; T1208-R1211 VanDerWaalsContact OG1-CB 3.22Å; T1208-R1211 WeakPolarHBondContact OG1-CB 3.14Å; T1208-R1211 PolarHBondContact OG1-N 3.25Å; T1208-L1212 PolarHBondContact O-N 3.15Å
1209L95Very high94.6Very high13 Ų1326.9 Ų26.97%0.06813%0.128CC..Hα-helixtrans-68.3-32.7174.1-67.5172.6000111.1D713 L1035 A1036 Y1075 L1107 R1211 L1212 N1213D713-L1209 PolarHBondContact OD1-N 2.84Å; D713-L1209 WeakPolarHBondContact OD2-CB 3.47Å; D713-L1209 PolarHBondContact OD2-N 3.03Å; L1035-L1209 HydrophobicContact CB-CB 3.9Å; L1035-L1209 HydrophobicContact CB-CD1 3.64Å; L1035-L1209 HydrophobicContact CB-CG 4.42Å; L1035-L1209 HydrophobicContact CD1-CB 4.4Å; L1035-L1209 HydrophobicContact CD1-CD1 4.47Å; L1035-L1209 HydrophobicContact CD2-CB 4.48Å; A1036-L1209 HydrophobicContact CB-CD1 4.29Å; Y1075-L1209 HydrophobicContact CE1-CD1 4.39Å; L1107-L1209 HydrophobicContact CD1-CD2 3.79Å; L1209-R1211 VanDerWaalsContact C-N 3.34Å; L1209-R1211 PolarHBondContact O-N 2.98Å; L1209-L1212 HydrophobicContact CD2-CD1 4.33Å; L1209-L1212 PolarHBondContact O-N 3.33Å; L1209-N1213 PolarHBondContact O-N 3.15Å; L1209-N1213 PolarHBondContact O-ND2 3.43Å
1210T95.2Very high94.4Very high2 Ų227.6 Ų27.61%0.01213%0.132CC..Hα-helixtrans-62.1-37.6173.547.30000112.6Y660 P663 D713 L1035 T1208 N1213 L1214Y660-T1210 VanDerWaalsContact O-CA 3.3Å; Y660-T1210 WeakPolarHBondContact O-CA 3.38Å; Y660-T1210 WeakPolarHBondContact O-CB 3.5Å; Y660-T1210 WeakPolarHBondContact O-CG2 3.29Å; P663-T1210 HydrophobicContact CB-CG2 4.05Å; P663-T1210 HydrophobicContact CG-CG2 3.83Å; D713-T1210 WeakPolarHBondContact OD1-CB 3.28Å; D713-T1210 WeakPolarHBondContact OD1-CG2 3.44Å; D713-T1210 PolarHBondContact OD1-N 2.83Å; D713-T1210 PolarHBondContact OD1-OG1 3.27Å; L1035-T1210 HydrophobicContact CD2-CG2 3.83Å; T1208-T1210 VanDerWaalsContact C-N 3.3Å; T1208-T1210 PolarHBondContact OG1-OG1 2.94Å; T1210-N1213 PolarHBondContact O-N 3.05Å; T1210-L1214 PolarHBondContact O-N 3.03Å
1211R95.5Very high94.1Very high15 Ų1525.7 Ų25.76%0.05714%0.135CC..Hα-helixtrans-63.1-44.8170.5178.167.6179.1167.11.7112.1E647 E664 E1202 A1206 T1208 L1209 L1214 L1215E647-R1211 IonicContact OE1-CZ 3.68Å; E647-R1211 IonicContact OE1-NH1 3.87Å; E647-R1211 PolarHBondContact OE1-NH1 2.66Å; E647-R1211 IonicContact OE1-NH2 2.76Å; E647-R1211 PolarHBondContact OE1-NH2 3.28Å; E664-R1211 WeakPolarHBondContact OE1-CD 3.44Å; E664-R1211 IonicContact OE1-CZ 2.74Å; E664-R1211 IonicContact OE1-NE 3.98Å; E664-R1211 IonicContact OE1-NH1 3.4Å; E664-R1211 PolarHBondContact OE1-NH1 2.97Å; E1202-R1211 IonicContact OE2-CZ 2.57Å; E1202-R1211 IonicContact OE2-NH2 2.87Å; E1202-R1211 PolarHBondContact OE2-NH2 3.15Å; A1206-R1211 HydrophobicContact CB-CB 4.2Å; A1206-R1211 HydrophobicContact CB-CG 3.58Å; T1208-R1211 PolarHBondContact O-N 3.02Å; T1208-R1211 VanDerWaalsContact OG1-CB 3.22Å; T1208-R1211 WeakPolarHBondContact OG1-CB 3.14Å; T1208-R1211 PolarHBondContact OG1-N 3.25Å; L1209-R1211 VanDerWaalsContact C-N 3.34Å; L1209-R1211 PolarHBondContact O-N 2.98Å; R1211-L1214 PolarHBondContact O-N 3Å; R1211-L1215 HydrophobicContact CG-CD1 3.95Å; R1211-L1215 HydrophobicContact CG-CG 4.48Å; R1211-L1215 WeakPolarHBondContact O-CG 3.38Å; R1211-L1215 PolarHBondContact O-N 3.37Å
1212L96.2Very high94Very high0 Ų022.7 Ų22.70%012%0.117CC..Hα-helixtrans-63.9-40.2177.4-72.2172.6000112.2L1039 K1104 V1108 L1111 V1203 A1206 T1208 L1209 L1214 L1215 H1216L1039-L1212 HydrophobicContact CD2-CB 3.6Å; L1039-L1212 HydrophobicContact CD2-CD1 4.21Å; K1104-L1212 HydrophobicContact CG-CD1 4.45Å; V1108-L1212 HydrophobicContact CG2-CD1 4.18Å; V1108-L1212 HydrophobicContact CG2-CD2 4.07Å; L1111-L1212 HydrophobicContact CD2-CD2 4.46Å; V1203-L1212 HydrophobicContact CG1-CD2 4.17Å; A1206-L1212 HydrophobicContact CB-CD2 3.56Å; A1206-L1212 HydrophobicContact CB-CG 3.82Å; T1208-L1212 PolarHBondContact O-N 3.15Å; L1209-L1212 HydrophobicContact CD2-CD1 4.33Å; L1209-L1212 PolarHBondContact O-N 3.33Å; L1212-L1214 VanDerWaalsContact C-N 3.33Å; L1212-L1214 PolarHBondContact O-N 2.92Å; L1212-L1215 PolarHBondContact O-N 3.02Å; L1212-H1216 PolarHBondContact O-N 2.9Å
1213N95.4Very high93.9Very high3 Ų320.5 Ų20.52%0.01611%0.107CC..Hα-helixtrans-59.8-42.5173.1-83.5-82.9000111.8T661 L1035 L1209 T1210 H1216 A1217T661-N1213 HydrophobicContact CG2-CB 4.14Å; L1035-N1213 PolarHBondContact O-ND2 3.05Å; L1209-N1213 PolarHBondContact O-N 3.15Å; L1209-N1213 PolarHBondContact O-ND2 3.43Å; T1210-N1213 PolarHBondContact O-N 3.05Å; N1213-H1216 PolarHBondContact O-N 2.94Å; N1213-A1217 PolarHBondContact O-N 2.75Å; N1213-A1217 VanDerWaalsContact O-N 3.1Å
1214L95Very high93.5Very high0 Ų023.5 Ų23.50%012%0.119CC..Hα-helixtrans-67.3-40176-170.473.4000112.1F655 T661 E664 L665 L668 T1210 R1211 L1212 H1216 A1217 C1218F655-L1214 HydrophobicContact CB-CD1 4.05Å; F655-L1214 HydrophobicContact CD1-CD1 4.14Å; F655-L1214 HydrophobicContact CD2-CD1 4.28Å; F655-L1214 HydrophobicContact CG-CD1 3.89Å; T661-L1214 HydrophobicContact CG2-CD1 4.4Å; E664-L1214 HydrophobicContact CB-CD2 4.47Å; E664-L1214 HydrophobicContact CG-CB 3.99Å; E664-L1214 HydrophobicContact CG-CD2 3.51Å; E664-L1214 HydrophobicContact CG-CG 4.36Å; L665-L1214 HydrophobicContact CD2-CD1 3.74Å; L665-L1214 HydrophobicContact CD2-CD2 4.42Å; L665-L1214 HydrophobicContact CG-CD1 3.99Å; L668-L1214 HydrophobicContact CD1-CD2 3.31Å; T1210-L1214 PolarHBondContact O-N 3.03Å; R1211-L1214 PolarHBondContact O-N 3Å; L1212-L1214 VanDerWaalsContact C-N 3.33Å; L1212-L1214 PolarHBondContact O-N 2.92Å; L1214-H1216 VanDerWaalsContact C-N 3.33Å; L1214-H1216 PolarHBondContact O-N 3.17Å; L1214-A1217 CarbonylContact O-C 3.58Å; L1214-A1217 WeakPolarHBondContact O-CA 3.21Å; L1214-A1217 WeakPolarHBondContact O-CB 3.46Å; L1214-A1217 PolarHBondContact O-N 2.96Å; L1214-A1217 VanDerWaalsContact O-N 3.08Å; L1214-C1218 PolarHBondContact O-N 3.33Å; L1214-C1218 PolarHBondContact O-SG 3.26Å; L1214-C1218 VanDerWaalsContact O-SG 3.32Å
1215L96.1Very high93.1Very high0 Ų020.6 Ų20.60%010%0.103CC..Hα-helixtrans-67.9-31.9178.6-71.1169.6000112.8L648 W1199 E1202 V1203 A1206 R1211 L1212 C1218 L1219L648-L1215 HydrophobicContact CD1-CD2 3.73Å; W1199-L1215 PolarHBondContact NE1-O 3.07Å; E1202-L1215 HydrophobicContact CB-CD1 4.23Å; E1202-L1215 HydrophobicContact CB-CD2 3.94Å; E1202-L1215 WeakPolarHBondContact O-CD1 3.48Å; V1203-L1215 HydrophobicContact CB-CD1 4.38Å; V1203-L1215 HydrophobicContact CG2-CB 3.96Å; V1203-L1215 HydrophobicContact CG2-CD1 3.83Å; V1203-L1215 HydrophobicContact CG2-CG 4.38Å; A1206-L1215 HydrophobicContact CB-CD1 4.05Å; R1211-L1215 HydrophobicContact CG-CD1 3.95Å; R1211-L1215 HydrophobicContact CG-CG 4.48Å; R1211-L1215 WeakPolarHBondContact O-CG 3.38Å; R1211-L1215 PolarHBondContact O-N 3.37Å; L1212-L1215 PolarHBondContact O-N 3.02Å; L1215-C1218 WeakPolarHBondContact O-CB 3.4Å; L1215-C1218 PolarHBondContact O-N 3.39Å; L1215-L1219 PolarHBondContact O-N 3.32Å; L1215-L1219 VanDerWaalsContact O-N 3.14Å
1216H95.6Very high92.6Very high13 Ų1321.2 Ų21.26%0.0610%0.103CC..Hα-helixtrans-61.2-47165.6167.6-84.9000110.9L1039 N1042 T1046 L1111 L1212 N1213 L1214 C1218 L1219 D1220L1039-H1216 HydrophobicContact CD1-CB 3.89Å; N1042-H1216 PolarHBondContact O-NE2 2.88Å; N1042-H1216 VanDerWaalsContact O-NE2 3.13Å; T1046-H1216 PolarHBondContact OG1-CE1 3.02Å; T1046-H1216 PolarHBondContact OG1-NE2 3.36Å; L1111-H1216 HydrophobicContact CD1-CB 3.9Å; L1111-H1216 HydrophobicContact CD2-CB 4.42Å; L1212-H1216 PolarHBondContact O-N 2.9Å; N1213-H1216 PolarHBondContact O-N 2.94Å; L1214-H1216 VanDerWaalsContact C-N 3.33Å; L1214-H1216 PolarHBondContact O-N 3.17Å; H1216-C1218 VanDerWaalsContact C-N 3.27Å; H1216-C1218 PolarHBondContact O-N 3.41Å; H1216-L1219 WeakPolarHBondContact O-CB 3.25Å; H1216-L1219 PolarHBondContact O-N 2.85Å; H1216-D1220 PolarHBondContact O-N 3.31Å
1217A93.3Very high92.1Very high9 Ų923 Ų237%0.07411%0.109CC..Hα-helixtrans-61.7-32.9175.900000112.9F655 P656 N1213 L1214 A1221F655-A1217 HydrophobicContact CD1-CB 4.28Å; P656-A1217 HydrophobicContact CG-CB 4.16Å; N1213-A1217 PolarHBondContact O-N 2.75Å; N1213-A1217 VanDerWaalsContact O-N 3.1Å; L1214-A1217 CarbonylContact O-C 3.58Å; L1214-A1217 WeakPolarHBondContact O-CA 3.21Å; L1214-A1217 WeakPolarHBondContact O-CB 3.46Å; L1214-A1217 PolarHBondContact O-N 2.96Å; L1214-A1217 VanDerWaalsContact O-N 3.08Å; A1217-A1221 VanDerWaalsContact O-CB 3.26Å; A1217-A1221 WeakPolarHBondContact O-CB 3.48Å; A1217-A1221 PolarHBondContact O-N 3.31Å
1218C93.7Very high91.8Very high0 Ų019.2 Ų19.20%010%0.096CC..Hα-helixtrans-61-44.8170.7-65.20000112.2L648 L650 F655 L1214 L1215 H1216 C1222L648-C1218 HydrophobicContact CD1-CB 4.49Å; L650-C1218 HydrophobicContact CD1-CB 4.18Å; F655-C1218 HydrophobicContact CE1-CB 4.2Å; F655-C1218 WeakPolarHBondContact CE1-SG 3.4Å; F655-C1218 VanDerWaalsContact CZ-SG 3.55Å; L1214-C1218 PolarHBondContact O-N 3.33Å; L1214-C1218 PolarHBondContact O-SG 3.26Å; L1214-C1218 VanDerWaalsContact O-SG 3.32Å; L1215-C1218 WeakPolarHBondContact O-CB 3.4Å; L1215-C1218 PolarHBondContact O-N 3.39Å; H1216-C1218 VanDerWaalsContact C-N 3.27Å; H1216-C1218 PolarHBondContact O-N 3.41Å; C1218-C1222 PolarHBondContact O-N 3.28Å
1219L94.3Very high91.2Very high1 Ų122.3 Ų22.31%0.00512%0.115CC..Hα-helixtrans-64.1-50.8177.4-178.368.8000110.7L1111 A1115 I1118 W1195 W1199 L1215 H1216 A1221 C1222 V1223L1111-L1219 HydrophobicContact CD1-CD2 4.28Å; A1115-L1219 HydrophobicContact CB-CD1 3.72Å; A1115-L1219 HydrophobicContact CB-CD2 3.66Å; A1115-L1219 HydrophobicContact CB-CG 4.35Å; I1118-L1219 HydrophobicContact CD1-CD1 3.89Å; I1118-L1219 HydrophobicContact CD1-CD2 4.3Å; I1118-L1219 HydrophobicContact CD1-CG 4.15Å; W1195-L1219 HydrophobicContact CZ3-CD1 4.33Å; W1199-L1219 HydrophobicContact CH2-CD2 4.27Å; W1199-L1219 HydrophobicContact CZ2-CB 4.01Å; W1199-L1219 HydrophobicContact CZ2-CD1 4.46Å; W1199-L1219 HydrophobicContact CZ2-CD2 4.06Å; W1199-L1219 HydrophobicContact CZ2-CG 4.42Å; L1215-L1219 PolarHBondContact O-N 3.32Å; L1215-L1219 VanDerWaalsContact O-N 3.14Å; H1216-L1219 WeakPolarHBondContact O-CB 3.25Å; H1216-L1219 PolarHBondContact O-N 2.85Å; L1219-A1221 VanDerWaalsContact C-N 3.3Å; L1219-A1221 PolarHBondContact O-N 3.1Å; L1219-C1222 WeakPolarHBondContact O-CB 3.38Å; L1219-C1222 PolarHBondContact O-N 2.98Å; L1219-V1223 WeakPolarHBondContact O-CG2 3.41Å; L1219-V1223 PolarHBondContact O-N 3Å
1220D92.5Very high90.4Very high16 Ų1626.3 Ų26.39%0.08613%0.134CC..Hα-helixtrans-58.5-41.2-178.4-166.390.4000111.8T1046 R1049 H1216 C1222 V1223 W1225T1046-D1220 PolarHBondContact OG1-OD1 3.44Å; R1049-D1220 IonicContact NH1-OD1 3.96Å; H1216-D1220 PolarHBondContact O-N 3.31Å; D1220-C1222 PolarHBondContact O-N 2.99Å; D1220-V1223 PolarHBondContact O-N 3.26Å; D1220-V1223 VanDerWaalsContact O-N 3.14Å; D1220-W1225 PolarHBondContact O-NE1 3.5Å; D1220-W1225 VanDerWaalsContact O-NE1 3.09Å; D1220-W1225 VanDerWaalsContact OD1-CZ2 3.23Å; D1220-W1225 WeakPolarHBondContact OD1-CZ2 3.31Å; D1220-W1225 PolarHBondContact OD2-NE1 3.4Å
1221A89.9Confident89.6Confident48 Ų4829.8 Ų29.840%0.39715%0.152SC..Hα-helixtrans-67.4-20.4176.800000114.2L650 A1217 L1219L650-A1221 HydrophobicContact CD1-CB 4.12Å; A1217-A1221 VanDerWaalsContact O-CB 3.26Å; A1217-A1221 WeakPolarHBondContact O-CB 3.48Å; A1217-A1221 PolarHBondContact O-N 3.31Å; L1219-A1221 VanDerWaalsContact C-N 3.3Å; L1219-A1221 PolarHBondContact O-N 3.1Å
1222C91.9Very high88.9Confident1 Ų129.6 Ų29.61%0.00715%0.154CC..Hα-helixtrans-88.7-11.6174.9-80.10000113L1123 N1124 V1125 W1195 C1218 L1219 D1220L1123-C1222 CarbonylContact C-O 3.6Å; L1123-C1222 WeakPolarHBondContact CA-O 3.44Å; L1123-C1222 HydrophobicContact CD2-CB 4.4Å; N1124-C1222 PolarHBondContact N-O 3.48Å; V1125-C1222 HydrophobicContact CG1-CB 4.38Å; W1195-C1222 HydrophobicContact CH2-CB 4.26Å; C1218-C1222 PolarHBondContact O-N 3.28Å; L1219-C1222 WeakPolarHBondContact O-CB 3.38Å; L1219-C1222 PolarHBondContact O-N 2.98Å; D1220-C1222 PolarHBondContact O-N 2.99Å
1223V91.9Very high88.4Confident9 Ų936.3 Ų36.36%0.05518%0.179CC..BIsolated β-bridgetrans-78.4131.5177.4-177.80000110.6L1050 L1055 I1118 L1123 L1219 D1220 W1225L1050-V1223 HydrophobicContact CD2-CG1 3.91Å; L1050-V1223 HydrophobicContact CD2-CG2 4.44Å; L1055-V1223 HydrophobicContact CD1-CG1 3.93Å; I1118-V1223 HydrophobicContact CD1-CG2 3.88Å; L1123-V1223 HydrophobicContact CD2-CG2 4.15Å; L1219-V1223 WeakPolarHBondContact O-CG2 3.41Å; L1219-V1223 PolarHBondContact O-N 3Å; D1220-V1223 PolarHBondContact O-N 3.26Å; D1220-V1223 VanDerWaalsContact O-N 3.14Å; V1223-W1225 VanDerWaalsContact C-N 3.26Å; V1223-W1225 HydrophobicContact CB-CD2 4.09Å; V1223-W1225 HydrophobicContact CB-CG 4.5Å; V1223-W1225 HydrophobicContact CB-CH2 4.44Å; V1223-W1225 HydrophobicContact CB-CZ2 3.78Å; V1223-W1225 HydrophobicContact CG1-CD2 3.65Å; V1223-W1225 HydrophobicContact CG1-CE3 3.82Å; V1223-W1225 HydrophobicContact CG1-CG 4.27Å; V1223-W1225 HydrophobicContact CG1-CH2 3.94Å; V1223-W1225 HydrophobicContact CG1-CZ2 3.75Å; V1223-W1225 HydrophobicContact CG1-CZ3 3.96Å; V1223-W1225 HydrophobicContact CG2-CZ2 4.05Å; V1223-W1225 PolarHBondContact O-N 3.37Å
1224R88Confident88.1Confident62 Ų6236.2 Ų36.223%0.23418%0.178CC..  trans-78.970.8175-65.4-17968.8172.211.6111.5F1122 N1124 E1226 K1227F1122-R1224 VanDerWaalsContact O-CB 3.25Å; F1122-R1224 WeakPolarHBondContact O-CB 3.3Å; F1122-R1224 VanDerWaalsContact O-CG 3.26Å; F1122-R1224 WeakPolarHBondContact O-CG 3.35Å; F1122-R1224 PolarHBondContact O-N 3.43Å; N1124-R1224 HydrophobicContact CB-CG 3.79Å; R1224-E1226 VanDerWaalsContact CA-OE2 3.26Å; R1224-E1226 WeakPolarHBondContact CA-OE2 3.41Å; R1224-E1226 IonicContact CZ-OE1 3.7Å; R1224-E1226 IonicContact NE-OE1 3.22Å; R1224-E1226 PolarHBondContact NE-OE1 3.02Å; R1224-E1226 VanDerWaalsContact NE-OE1 3.09Å; R1224-E1226 IonicContact NH2-OE1 3.55Å; R1224-E1226 PolarHBondContact O-N 2.93Å; R1224-E1226 VanDerWaalsContact O-N 3.11Å; R1224-K1227 HydrophobicContact CB-CB 4.34Å; R1224-K1227 HydrophobicContact CB-CG 4.06Å; R1224-K1227 WeakPolarHBondContact O-CB 3.21Å; R1224-K1227 PolarHBondContact O-N 2.81Å
1225W86.8Confident87.6Confident49 Ų4942 Ų4219%0.18620%0.201CC..G310 helixtrans-56.9-26.3-179.2-63.4116.6000113.3T1046 R1049 L1050 L1055 D1220 V1223 K1227 S1228T1046-W1225 HydrophobicContact CG2-CH2 4.13Å; T1046-W1225 HydrophobicContact CG2-CZ2 4.21Å; R1049-W1225 HydrophobicContact CB-CH2 3.85Å; R1049-W1225 HydrophobicContact CB-CZ3 3.63Å; R1049-W1225 VanDerWaalsContact NH2-CD2 3.26Å; L1050-W1225 HydrophobicContact CD2-CH2 3.94Å; L1050-W1225 HydrophobicContact CD2-CZ3 4.08Å; L1050-W1225 HydrophobicContact CG-CH2 3.92Å; L1050-W1225 HydrophobicContact CG-CZ3 4.26Å; L1055-W1225 HydrophobicContact CD1-CE3 3.86Å; L1055-W1225 HydrophobicContact CD1-CZ3 4.11Å; D1220-W1225 PolarHBondContact O-NE1 3.5Å; D1220-W1225 VanDerWaalsContact O-NE1 3.09Å; D1220-W1225 VanDerWaalsContact OD1-CZ2 3.23Å; D1220-W1225 WeakPolarHBondContact OD1-CZ2 3.31Å; D1220-W1225 PolarHBondContact OD2-NE1 3.4Å; V1223-W1225 VanDerWaalsContact C-N 3.26Å; V1223-W1225 HydrophobicContact CB-CD2 4.09Å; V1223-W1225 HydrophobicContact CB-CG 4.5Å; V1223-W1225 HydrophobicContact CB-CH2 4.44Å; V1223-W1225 HydrophobicContact CB-CZ2 3.78Å; V1223-W1225 HydrophobicContact CG1-CD2 3.65Å; V1223-W1225 HydrophobicContact CG1-CE3 3.82Å; V1223-W1225 HydrophobicContact CG1-CG 4.27Å; V1223-W1225 HydrophobicContact CG1-CH2 3.94Å; V1223-W1225 HydrophobicContact CG1-CZ2 3.75Å; V1223-W1225 HydrophobicContact CG1-CZ3 3.96Å; V1223-W1225 HydrophobicContact CG2-CZ2 4.05Å; V1223-W1225 PolarHBondContact O-N 3.37Å; W1225-K1227 PolarHBondContact O-N 3.18Å; W1225-S1228 WeakPolarHBondContact O-CB 3.19Å; W1225-S1228 PolarHBondContact O-N 3.35Å
1226E81.2Confident87.1Confident107 Ų10746.7 Ų46.750%0.522%0.224SC..G310 helixtrans-67.1-12.9175.377.8-75.3177.300114.2R1224R1224-E1226 VanDerWaalsContact CA-OE2 3.26Å; R1224-E1226 WeakPolarHBondContact CA-OE2 3.41Å; R1224-E1226 IonicContact CZ-OE1 3.7Å; R1224-E1226 IonicContact NE-OE1 3.22Å; R1224-E1226 PolarHBondContact NE-OE1 3.02Å; R1224-E1226 VanDerWaalsContact NE-OE1 3.09Å; R1224-E1226 IonicContact NH2-OE1 3.55Å; R1224-E1226 PolarHBondContact O-N 2.93Å; R1224-E1226 VanDerWaalsContact O-N 3.11Å
1227K82.2Confident86.7Confident44 Ų4448.1 Ų48.119%0.19124%0.236CC..G310 helixtrans-94-0.5174.4-65.7-59.8-171176.50112.8L1055 F1122 R1224 W1225 C1252 N1253L1055-K1227 HydrophobicContact CD2-CB 4.24Å; F1122-K1227 HydrophobicContact CD1-CB 3.94Å; F1122-K1227 HydrophobicContact CD1-CG 4.4Å; F1122-K1227 HydrophobicContact CE1-CB 4.1Å; R1224-K1227 HydrophobicContact CB-CB 4.34Å; R1224-K1227 HydrophobicContact CB-CG 4.06Å; R1224-K1227 WeakPolarHBondContact O-CB 3.21Å; R1224-K1227 PolarHBondContact O-N 2.81Å; W1225-K1227 PolarHBondContact O-N 3.18Å; K1227-C1252 PolarHBondContact NZ-O 2.99Å; K1227-N1253 HydrophobicContact CD-CB 4.29Å; K1227-N1253 PolarHBondContact O-ND2 3.04Å
1228S85.3Confident86.4Confident9 Ų957.6 Ų57.66%0.06327%0.269CS..SBendtrans-58.5139.6174.8174.70000110.9G1053 W1225 E1230 D1231 A1232G1053-S1228 WeakPolarHBondContact CA-OG 3.37Å; G1053-S1228 WeakPolarHBondContact O-CA 3.24Å; W1225-S1228 WeakPolarHBondContact O-CB 3.19Å; W1225-S1228 PolarHBondContact O-N 3.35Å; S1228-E1230 PolarHBondContact O-N 3.05Å; S1228-E1230 VanDerWaalsContact O-N 3.16Å; S1228-E1230 WeakPolarHBondContact OG-CB 3.37Å; S1228-E1230 PolarHBondContact OG-N 3.17Å; S1228-E1230 VanDerWaalsContact OG-N 3.08Å; S1228-D1231 PolarHBondContact O-N 3.31Å; S1228-D1231 VanDerWaalsContact O-N 3.09Å; S1228-A1232 PolarHBondContact O-N 2.91Å
1229V80.6Confident85.8Confident68 Ų6864 Ų6441%0.41229%0.293SS..G310 helixtrans-54.9-30.6169.8-175.90000110.8G1053 D1231 A1232 L1248G1053-V1229 WeakPolarHBondContact O-CG2 3.34Å; G1053-V1229 PolarHBondContact O-N 3.47Å; V1229-D1231 PolarHBondContact O-N 2.78Å; V1229-A1232 WeakPolarHBondContact O-CB 3.37Å; V1229-A1232 PolarHBondContact O-N 3.39Å; V1229-A1232 VanDerWaalsContact O-N 3.16Å; V1229-L1248 HydrophobicContact CB-CD1 4.27Å; V1229-L1248 HydrophobicContact CG1-CD1 4.17Å; V1229-L1248 HydrophobicContact CG2-CD1 3.51Å
1230E78.1Confident85.1Confident97 Ų9768.8 Ų68.845%0.45331%0.314SS..G310 helixtrans-70.4-23.8179.5-60-175.616600114.1S1052 S1228 K1240S1052-E1230 WeakPolarHBondContact CB-OE1 3.26Å; S1052-E1230 PolarHBondContact OG-OE1 3.35Å; S1228-E1230 PolarHBondContact O-N 3.05Å; S1228-E1230 VanDerWaalsContact O-N 3.16Å; S1228-E1230 WeakPolarHBondContact OG-CB 3.37Å; S1228-E1230 PolarHBondContact OG-N 3.17Å; S1228-E1230 VanDerWaalsContact OG-N 3.08Å; E1230-K1240 WeakPolarHBondContact O-CE 3.02Å; E1230-K1240 PolarHBondContact O-NZ 2.75Å
1231D77.6Confident84.4Confident74 Ų7471.7 Ų71.740%0.39633%0.333SS..G310 helixtrans-101.27.8172.2-164.634.1000112.4S1228 V1229 R1233S1228-D1231 PolarHBondContact O-N 3.31Å; S1228-D1231 VanDerWaalsContact O-N 3.09Å; V1229-D1231 PolarHBondContact O-N 2.78Å; D1231-R1233 PolarHBondContact O-N 3.2Å; D1231-R1233 IonicContact OD1-CZ 2.96Å; D1231-R1233 IonicContact OD1-NE 3.15Å; D1231-R1233 IonicContact OD1-NH2 3.73Å; D1231-R1233 PolarHBondContact OD1-NH2 3.29Å
1232A82Confident83.9Confident11 Ų1172.5 Ų72.59%0.09133%0.33CS..  trans-66.2124-179.600000111.2S1228 V1229 L1246 L1248 A1255S1228-A1232 PolarHBondContact O-N 2.91Å; V1229-A1232 WeakPolarHBondContact O-CB 3.37Å; V1229-A1232 PolarHBondContact O-N 3.39Å; V1229-A1232 VanDerWaalsContact O-N 3.16Å; A1232-L1246 HydrophobicContact CB-CD2 3.74Å; A1232-L1248 HydrophobicContact CB-CD2 3.92Å; A1232-A1255 HydrophobicContact CB-CB 3.76Å
1233R85.3Confident83.1Confident141 Ų14177 Ų7753%0.53235%0.354SS..  trans-121.4140.7176.2-60.1175.3-165.3-134.80.4109D1231 R1235 K1240 A1255D1231-R1233 PolarHBondContact O-N 3.2Å; D1231-R1233 IonicContact OD1-CZ 2.96Å; D1231-R1233 IonicContact OD1-NE 3.15Å; D1231-R1233 IonicContact OD1-NH2 3.73Å; D1231-R1233 PolarHBondContact OD1-NH2 3.29Å; R1233-R1235 PolarHBondContact O-N 3.43Å; R1233-R1235 VanDerWaalsContact O-N 3.09Å; R1233-K1240 HydrophobicContact CG-CB 4.23Å; R1233-A1255 WeakPolarHBondContact O-CB 3.38Å
1234C89.3Confident82.6Confident1 Ų183.7 Ų83.71%0.00739%0.39CS..BIsolated β-bridgetrans-60121.6177.2171.10000110.4I1236 C1237 R1238 R1239 L1246 A1255 H1257C1234-I1236 PolarHBondContact O-N 3.39Å; C1234-I1236 VanDerWaalsContact O-N 3.08Å; C1234-I1236 PolarHBondContact SG-N 2.89Å; C1234-I1236 VanDerWaalsContact SG-N 3.43Å; C1234-C1237 VanDerWaalsContact CB-SG 3.52Å; C1234-R1238 WeakPolarHBondContact O-CA 3.47Å; C1234-R1238 PolarHBondContact O-N 3.03Å; C1234-R1239 PolarHBondContact N-O 3.13Å; C1234-R1239 VanDerWaalsContact N-O 3.09Å; C1234-L1246 HydrophobicContact CB-CD1 3.99Å; C1234-A1255 CarbonylContact C-O 3.57Å; C1234-A1255 VanDerWaalsContact CA-O 3.3Å; C1234-A1255 WeakPolarHBondContact CA-O 3.44Å; C1234-H1257 WeakPolarHBondContact CB-CE1 3.38Å; C1234-H1257 WeakPolarHBondContact CB-ND1 3.46Å; C1234-H1257 PolarHBondContact SG-N 3.07Å; C1234-H1257 VanDerWaalsContact SG-N 3.4Å
1235R84.5Confident82.5Confident123 Ų12383.7 Ų83.746%0.46439%0.394SS..THydrogen-bonded Turntrans-57.1-28.9-179.3-167.2-176.3-171.6177.3-0.9113.2R1233 L1254 A1255 F1256 T1277R1233-R1235 PolarHBondContact O-N 3.43Å; R1233-R1235 VanDerWaalsContact O-N 3.09Å; R1235-L1254 VanDerWaalsContact NH1-CD1 3.33Å; R1235-A1255 PolarHBondContact N-O 2.89Å; R1235-F1256 HydrophobicContact CB-CD1 4.11Å; R1235-F1256 HydrophobicContact CB-CE1 3.64Å; R1235-F1256 HydrophobicContact CB-CZ 3.94Å; R1235-F1256 HydrophobicContact CG-CE1 4.28Å; R1235-F1256 HydrophobicContact CG-CZ 4.41Å; R1235-T1277 PolarHBondContact NH1-OG1 2.72Å
1236I84.5Confident82.6Confident97 Ų9782.7 Ų82.750%0.49739%0.393SS..THydrogen-bonded Turntrans-86.3-53.9-174.1-59.9174.1000110.9C1234 F1256 C1260C1234-I1236 PolarHBondContact O-N 3.39Å; C1234-I1236 VanDerWaalsContact O-N 3.08Å; C1234-I1236 PolarHBondContact SG-N 2.89Å; C1234-I1236 VanDerWaalsContact SG-N 3.43Å; I1236-F1256 HydrophobicContact CD1-CD1 3.82Å; I1236-F1256 HydrophobicContact CD1-CE1 4.32Å; I1236-F1256 HydrophobicContact CG1-CD1 3.94Å; I1236-F1256 HydrophobicContact CG1-CE1 4.21Å; I1236-C1260 HydrophobicContact CB-CB 4.06Å; I1236-C1260 HydrophobicContact CD1-CB 4.08Å; I1236-C1260 WeakPolarHBondContact CD1-O 3.38Å; I1236-C1260 HydrophobicContact CG2-CB 4.23Å
1237C88.9Confident82.8Confident44 Ų4478.3 Ų78.330%0.29737%0.373SS..THydrogen-bonded Turntrans-94.2-11.7-176.278.60000113.8C1234 R1239 H1257C1234-C1237 VanDerWaalsContact CB-SG 3.52Å; C1237-R1239 PolarHBondContact O-N 2.94Å; C1237-R1239 PolarHBondContact SG-N 2.99Å; C1237-H1257 PolarHBondContact SG-CE1 2.83Å; C1237-H1257 PolarHBondContact SG-ND1 3.13Å
1238R85.7Confident83Confident208 Ų20878 Ų7879%0.78537%0.373SS*.  trans58.423.5-177.1-55.5-172.9-179.5-164.7-0.4114.8C1234C1234-R1238 WeakPolarHBondContact O-CA 3.47Å; C1234-R1238 PolarHBondContact O-N 3.03Å
1239R82.2Confident83Confident133 Ų13377.6 Ų77.650%0.50237%0.37SS..  trans-102147.9177.3-57.7-179.8179.9-172.9-3.4110.9C1234 C1237C1234-R1239 PolarHBondContact N-O 3.13Å; C1234-R1239 VanDerWaalsContact N-O 3.09Å; C1237-R1239 PolarHBondContact O-N 2.94Å; C1237-R1239 PolarHBondContact SG-N 2.99Å
1240K79.4Confident83Confident103 Ų10377.8 Ų77.845%0.44837%0.368SS..  trans-102.129.5170.2-162.7-166.6160.9170.90111.1E1230 R1233E1230-K1240 WeakPolarHBondContact O-CE 3.02Å; E1230-K1240 PolarHBondContact O-NZ 2.75Å; R1233-K1240 HydrophobicContact CG-CB 4.23Å
1241T76.6Confident82.6Confident77 Ų7775.4 Ų75.447%0.47237%0.37SS..  trans-102.6145.4-178.952.70000108H1257T1241-H1257 PolarHBondContact O-CE1 2.89Å; T1241-H1257 VanDerWaalsContact O-CE1 3.3Å; T1241-H1257 PolarHBondContact O-NE2 3.3Å
1242D79.2Confident82.7Confident64 Ų6473.5 Ų73.534%0.34236%0.363SS..  trans69.660.1176.9-165.113.9000112.7D1244 N1245 L1246 Y1259D1242-D1244 PolarHBondContact O-N 3.3Å; D1242-N1245 VanDerWaalsContact CG-ND2 3.27Å; D1242-N1245 PolarHBondContact O-N 2.87Å; D1242-N1245 PolarHBondContact OD1-ND2 2.96Å; D1242-N1245 PolarHBondContact OD2-ND2 2.87Å; D1242-L1246 PolarHBondContact O-N 3.31Å; D1242-Y1259 VanDerWaalsContact OD2-CE1 3.25Å; D1242-Y1259 WeakPolarHBondContact OD2-CE1 3.28Å
1243D77Confident82.6Confident96 Ų9674.7 Ų74.751%0.51337%0.367SS..G310 helixtrans-62.8-31.3-178.3-60.1-14.6000111.4N1245 L1246D1243-N1245 PolarHBondContact O-N 3.4Å; D1243-L1246 VanDerWaalsContact O-CB 3.29Å; D1243-L1246 WeakPolarHBondContact O-CB 3.3Å; D1243-L1246 PolarHBondContact O-N 3.02Å
1244D80.8Confident82.5Confident150 Ų15070.6 Ų70.680%0.80236%0.355SS*.G310 helixtrans-60.3-28.7175.5-63.6-23.6000113.2D1242D1242-D1244 PolarHBondContact O-N 3.3Å
1245N85.8Confident82.5Confident61 Ų6170.7 Ų70.733%0.32636%0.356SS..G310 helixtrans-104.913177.9-68.9-63.4000112.4D1242 D1243 H1257 L1258 Y1259D1242-N1245 VanDerWaalsContact CG-ND2 3.27Å; D1242-N1245 PolarHBondContact O-N 2.87Å; D1242-N1245 PolarHBondContact OD1-ND2 2.96Å; D1242-N1245 PolarHBondContact OD2-ND2 2.87Å; D1243-N1245 PolarHBondContact O-N 3.4Å; N1245-H1257 CarbonylContact O-C 3.58Å; N1245-H1257 WeakPolarHBondContact O-CA 3.5Å; N1245-L1258 HydrophobicContact CB-CD1 4.42Å; N1245-L1258 WeakPolarHBondContact O-CG 3.35Å; N1245-L1258 PolarHBondContact O-N 3.19Å; N1245-Y1259 HydrophobicContact CB-CD1 4.37Å; N1245-Y1259 HydrophobicContact CB-CE1 4.16Å
1246L87.9Confident82.7Confident29 Ų2965.1 Ų65.115%0.15234%0.336CS..EExtended strand (participates in β ladder)trans-91.2115.6179.3-158.678.4000110.2A1232 C1234 D1242 D1243 A1255 H1257A1232-L1246 HydrophobicContact CB-CD2 3.74Å; C1234-L1246 HydrophobicContact CB-CD1 3.99Å; D1242-L1246 PolarHBondContact O-N 3.31Å; D1243-L1246 VanDerWaalsContact O-CB 3.29Å; D1243-L1246 WeakPolarHBondContact O-CB 3.3Å; D1243-L1246 PolarHBondContact O-N 3.02Å; L1246-A1255 HydrophobicContact CD1-CB 3.93Å; L1246-A1255 HydrophobicContact CD2-CB 3.69Å; L1246-A1255 HydrophobicContact CG-CB 3.68Å; L1246-H1257 WeakPolarHBondContact CD1-NE2 3.49Å
1247L86.8Confident83Confident15 Ų1560.5 Ų60.58%0.07931%0.312CS..EExtended strand (participates in β ladder)trans-104.3126.7-180-17564.5000110.8A1255 F1256 L1258 L1261 L1265 V1268 P1269 W1273L1247-A1255 CarbonylContact O-C 3.59Å; L1247-A1255 WeakPolarHBondContact O-CA 3.24Å; L1247-F1256 WeakPolarHBondContact CB-O 3.27Å; L1247-F1256 PolarHBondContact N-O 3.39Å; L1247-F1256 PolarHBondContact O-N 3.1Å; L1247-L1258 HydrophobicContact CB-CD2 3.96Å; L1247-L1258 HydrophobicContact CD2-CD2 3.86Å; L1247-L1258 HydrophobicContact CG-CD2 4.41Å; L1247-L1261 HydrophobicContact CD2-CD1 4.19Å; L1247-L1265 HydrophobicContact CD2-CD1 3.9Å; L1247-V1268 HydrophobicContact CD1-CG1 3.82Å; L1247-V1268 HydrophobicContact CD1-CG2 4.49Å; L1247-P1269 HydrophobicContact CD2-CG 4.23Å; L1247-W1273 HydrophobicContact CD2-CD2 3.41Å; L1247-W1273 VanDerWaalsContact CD2-CD2 3.41Å; L1247-W1273 HydrophobicContact CD2-CE3 3.58Å; L1247-W1273 HydrophobicContact CD2-CG 3.85Å; L1247-W1273 HydrophobicContact CD2-CH2 4.19Å; L1247-W1273 HydrophobicContact CD2-CZ2 4.05Å; L1247-W1273 HydrophobicContact CD2-CZ3 3.96Å; L1247-W1273 HydrophobicContact CG-CD2 4.03Å; L1247-W1273 HydrophobicContact CG-CE3 3.68Å; L1247-W1273 HydrophobicContact CG-CZ3 3.97Å
1248L86Confident83.1Confident38 Ų3858.8 Ų58.820%0.19930%0.3CS..EExtended strand (participates in β ladder)trans-90.4142.2174.4-66.6170.6000111V1229 A1232 A1255V1229-L1248 HydrophobicContact CB-CD1 4.27Å; V1229-L1248 HydrophobicContact CG1-CD1 4.17Å; V1229-L1248 HydrophobicContact CG2-CD1 3.51Å; A1232-L1248 HydrophobicContact CB-CD2 3.92Å; L1248-A1255 HydrophobicContact CD2-CB 3.72Å
1249C85.7Confident83.3Confident0 Ų054 Ų540%028%0.283CS..  trans-85.3123.6174.8173.20000111.3G1251 C1252 N1253 L1254 F1256 W1273 C1275 C1278C1249-G1251 PolarHBondContact O-N 3.31Å; C1249-G1251 VanDerWaalsContact O-N 3.11Å; C1249-C1252 PolarHBondContact O-N 3Å; C1249-C1252 PolarHBondContact SG-SG 3.32Å; C1249-N1253 WeakPolarHBondContact O-CA 3.44Å; C1249-N1253 PolarHBondContact O-N 3.4Å; C1249-L1254 PolarHBondContact N-O 2.96Å; C1249-F1256 HydrophobicContact CB-CE2 4.37Å; C1249-W1273 WeakPolarHBondContact CA-O 3.06Å; C1249-W1273 HydrophobicContact CB-CE3 4.16Å; C1249-W1273 HydrophobicContact CB-CZ3 3.75Å; C1249-C1275 HydrophobicContact CB-CB 3.85Å; C1249-C1275 PolarHBondContact SG-N 3.45Å; C1249-C1278 VanDerWaalsContact SG-SG 3.69Å
1250D78.8Confident83.7Confident71 Ų7148.8 Ų48.838%0.3827%0.266SS..THydrogen-bonded Turntrans-65.5-18.9-177.9-65.8-51.8000114.1D1272 W1273 F1274D1250-D1272 HydrophobicContact CB-CB 4.46Å; D1250-D1272 VanDerWaalsContact OD2-CA 3.23Å; D1250-D1272 WeakPolarHBondContact OD2-CA 3.45Å; D1250-W1273 PolarHBondContact N-O 2.97Å; D1250-W1273 PolarHBondContact OD2-N 3.46Å; D1250-F1274 HydrophobicContact CB-CD1 4.49Å; D1250-F1274 HydrophobicContact CB-CE1 4.07Å; D1250-F1274 HydrophobicContact CB-CZ 4.38Å
1251G71.6Confident84Confident48 Ų4844.2 Ų44.250%0.49525%0.247SC..THydrogen-bonded Turntrans-88.9-34.7177.500000115.6C1249C1249-G1251 PolarHBondContact O-N 3.31Å; C1249-G1251 VanDerWaalsContact O-N 3.11Å
1252C78.1Confident84.1Confident34 Ų3451.6 Ų51.623%0.2327%0.266CS..THydrogen-bonded Turntrans-126.6-3.4-17564.10000114.6K1227 C1249 L1254 C1275 C1278K1227-C1252 PolarHBondContact NZ-O 2.99Å; C1249-C1252 PolarHBondContact O-N 3Å; C1249-C1252 PolarHBondContact SG-SG 3.32Å; C1252-L1254 HydrophobicContact CB-CD1 4.36Å; C1252-L1254 HydrophobicContact CB-CG 4.31Å; C1252-L1254 PolarHBondContact O-N 3.09Å; C1252-C1275 VanDerWaalsContact SG-SG 3.68Å; C1252-C1278 WeakPolarHBondContact CB-SG 3.49Å; C1252-C1278 PolarHBondContact SG-SG 2.71Å
1253N81.4Confident84.4Confident35 Ų3553.7 Ų53.719%0.18728%0.282CS..  trans55.425.8-177.1-153.332.5000114.2F1122 K1227 C1249F1122-N1253 WeakPolarHBondContact CE1-ND2 3.41Å; K1227-N1253 HydrophobicContact CD-CB 4.29Å; K1227-N1253 PolarHBondContact O-ND2 3.04Å; C1249-N1253 WeakPolarHBondContact O-CA 3.44Å; C1249-N1253 PolarHBondContact O-N 3.4Å
1254L83.1Confident84.7Confident55 Ų5553 Ų5329%0.28828%0.284SS..  trans-85.4137.1175-66172.8000109.8R1235 C1249 C1252 F1256R1235-L1254 VanDerWaalsContact NH1-CD1 3.33Å; C1249-L1254 PolarHBondContact N-O 2.96Å; C1252-L1254 HydrophobicContact CB-CD1 4.36Å; C1252-L1254 HydrophobicContact CB-CG 4.31Å; C1252-L1254 PolarHBondContact O-N 3.09Å; L1254-F1256 HydrophobicContact CB-CE2 3.75Å; L1254-F1256 HydrophobicContact CB-CZ 4.2Å; L1254-F1256 VanDerWaalsContact O-CD2 3.24Å; L1254-F1256 WeakPolarHBondContact O-CD2 3.43Å; L1254-F1256 VanDerWaalsContact O-CE2 3.31Å; L1254-F1256 WeakPolarHBondContact O-CE2 3.39Å
1255A87.9Confident84.9Confident3 Ų348.4 Ų48.43%0.02526%0.258CS..EExtended strand (participates in β ladder)trans-83.4145.6177.800000112.8A1232 R1233 C1234 R1235 L1246 L1247 L1248A1232-A1255 HydrophobicContact CB-CB 3.76Å; R1233-A1255 WeakPolarHBondContact O-CB 3.38Å; C1234-A1255 CarbonylContact C-O 3.57Å; C1234-A1255 VanDerWaalsContact CA-O 3.3Å; C1234-A1255 WeakPolarHBondContact CA-O 3.44Å; R1235-A1255 PolarHBondContact N-O 2.89Å; L1246-A1255 HydrophobicContact CD1-CB 3.93Å; L1246-A1255 HydrophobicContact CD2-CB 3.69Å; L1246-A1255 HydrophobicContact CG-CB 3.68Å; L1247-A1255 CarbonylContact O-C 3.59Å; L1247-A1255 WeakPolarHBondContact O-CA 3.24Å; L1248-A1255 HydrophobicContact CD2-CB 3.72Å
1256F89.4Confident84.8Confident7 Ų755.2 Ų55.23%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-143.9128.9175.8-61.4-94.8000109.2R1235 I1236 L1247 C1249 L1254 L1258 L1261 W1273 C1275R1235-F1256 HydrophobicContact CB-CD1 4.11Å; R1235-F1256 HydrophobicContact CB-CE1 3.64Å; R1235-F1256 HydrophobicContact CB-CZ 3.94Å; R1235-F1256 HydrophobicContact CG-CE1 4.28Å; R1235-F1256 HydrophobicContact CG-CZ 4.41Å; I1236-F1256 HydrophobicContact CD1-CD1 3.82Å; I1236-F1256 HydrophobicContact CD1-CE1 4.32Å; I1236-F1256 HydrophobicContact CG1-CD1 3.94Å; I1236-F1256 HydrophobicContact CG1-CE1 4.21Å; L1247-F1256 WeakPolarHBondContact CB-O 3.27Å; L1247-F1256 PolarHBondContact N-O 3.39Å; L1247-F1256 PolarHBondContact O-N 3.1Å; C1249-F1256 HydrophobicContact CB-CE2 4.37Å; L1254-F1256 HydrophobicContact CB-CE2 3.75Å; L1254-F1256 HydrophobicContact CB-CZ 4.2Å; L1254-F1256 VanDerWaalsContact O-CD2 3.24Å; L1254-F1256 WeakPolarHBondContact O-CD2 3.43Å; L1254-F1256 VanDerWaalsContact O-CE2 3.31Å; L1254-F1256 WeakPolarHBondContact O-CE2 3.39Å; F1256-L1258 PolarHBondContact O-N 2.9Å; F1256-L1261 HydrophobicContact CB-CD1 4.21Å; F1256-L1261 HydrophobicContact CB-CD2 3.61Å; F1256-L1261 HydrophobicContact CB-CG 3.85Å; F1256-L1261 HydrophobicContact CD1-CD2 3.74Å; F1256-L1261 HydrophobicContact CG-CD2 3.74Å; F1256-W1273 HydrophobicContact CB-CH2 4.27Å; F1256-W1273 AromaticContact CD2-CH2 3.66Å; F1256-W1273 HydrophobicContact CD2-CH2 3.66Å; F1256-W1273 AromaticContact CD2-CZ3 3.89Å; F1256-W1273 HydrophobicContact CD2-CZ3 3.89Å; F1256-W1273 HydrophobicContact CE2-CH2 4.24Å; F1256-W1273 HydrophobicContact CE2-CZ3 4.44Å; F1256-W1273 HydrophobicContact CG-CH2 4.08Å; F1256-C1275 HydrophobicContact CD2-CB 4.09Å; F1256-C1275 HydrophobicContact CE2-CB 3.37Å; F1256-C1275 HydrophobicContact CZ-CB 3.63Å
1257H91.7Very high84.6Confident0 Ų064.1 Ų64.10%032%0.317CS..EExtended strand (participates in β ladder)trans-63.8139.1167.3-65.4115.3000110.5C1234 C1237 T1241 N1245 L1246 Y1259 C1260 L1261C1234-H1257 WeakPolarHBondContact CB-CE1 3.38Å; C1234-H1257 WeakPolarHBondContact CB-ND1 3.46Å; C1234-H1257 PolarHBondContact SG-N 3.07Å; C1234-H1257 VanDerWaalsContact SG-N 3.4Å; C1237-H1257 PolarHBondContact SG-CE1 2.83Å; C1237-H1257 PolarHBondContact SG-ND1 3.13Å; T1241-H1257 PolarHBondContact O-CE1 2.89Å; T1241-H1257 VanDerWaalsContact O-CE1 3.3Å; T1241-H1257 PolarHBondContact O-NE2 3.3Å; N1245-H1257 CarbonylContact O-C 3.58Å; N1245-H1257 WeakPolarHBondContact O-CA 3.5Å; L1246-H1257 WeakPolarHBondContact CD1-NE2 3.49Å; H1257-Y1259 HydrophobicContact CB-CD1 3.9Å; H1257-Y1259 HydrophobicContact CB-CD2 4.09Å; H1257-Y1259 HydrophobicContact CB-CE1 3.54Å; H1257-Y1259 HydrophobicContact CB-CE2 3.77Å; H1257-Y1259 HydrophobicContact CB-CG 4.16Å; H1257-Y1259 VanDerWaalsContact CB-CZ 3.49Å; H1257-Y1259 AromaticContact CD2-CE1 3.93Å; H1257-Y1259 AromaticContact CD2-CZ 3.84Å; H1257-Y1259 PolarHBondContact CD2-OH 2.99Å; H1257-Y1259 AromaticContact CG-CE1 3.76Å; H1257-Y1259 AromaticContact CG-CZ 3.44Å; H1257-Y1259 VanDerWaalsContact CG-CZ 3.44Å; H1257-Y1259 AromaticContact ND1-CZ 3.82Å; H1257-Y1259 PolarHBondContact ND1-OH 2.96Å; H1257-Y1259 PolarHBondContact O-N 3.04Å; H1257-C1260 HydrophobicContact CB-CB 3.87Å; H1257-C1260 PolarHBondContact O-N 3.25Å; H1257-L1261 PolarHBondContact O-N 3.44Å
1258L89.6Confident84.4Confident7 Ų767.6 Ų67.64%0.03734%0.339CS..THydrogen-bonded Turntrans-50.6-42.6176-68.2176.4000111.5N1245 L1247 F1256 P1264 L1265 V1268N1245-L1258 HydrophobicContact CB-CD1 4.42Å; N1245-L1258 WeakPolarHBondContact O-CG 3.35Å; N1245-L1258 PolarHBondContact O-N 3.19Å; L1247-L1258 HydrophobicContact CB-CD2 3.96Å; L1247-L1258 HydrophobicContact CD2-CD2 3.86Å; L1247-L1258 HydrophobicContact CG-CD2 4.41Å; F1256-L1258 PolarHBondContact O-N 2.9Å; L1258-P1264 CarbonylContact O-C 3.44Å; L1258-P1264 WeakPolarHBondContact O-CA 3.46Å; L1258-L1265 CarbonylContact C-O 3.48Å; L1258-L1265 HydrophobicContact CB-CB 4.3Å; L1258-L1265 WeakPolarHBondContact CB-O 3.27Å; L1258-L1265 HydrophobicContact CD2-CB 3.84Å; L1258-L1265 HydrophobicContact CD2-CD1 4.24Å; L1258-L1265 PolarHBondContact O-N 3.46Å; L1258-V1268 HydrophobicContact CD1-CG2 4.12Å; L1258-V1268 HydrophobicContact CD2-CG2 4.41Å
1259Y90.3Very high84.3Confident109 Ų10968 Ų6843%0.42734%0.343SS..THydrogen-bonded Turntrans-77.2-20.5177.158.1-96000114.8D1242 N1245 H1257D1242-Y1259 VanDerWaalsContact OD2-CE1 3.25Å; D1242-Y1259 WeakPolarHBondContact OD2-CE1 3.28Å; N1245-Y1259 HydrophobicContact CB-CD1 4.37Å; N1245-Y1259 HydrophobicContact CB-CE1 4.16Å; H1257-Y1259 HydrophobicContact CB-CD1 3.9Å; H1257-Y1259 HydrophobicContact CB-CD2 4.09Å; H1257-Y1259 HydrophobicContact CB-CE1 3.54Å; H1257-Y1259 HydrophobicContact CB-CE2 3.77Å; H1257-Y1259 HydrophobicContact CB-CG 4.16Å; H1257-Y1259 VanDerWaalsContact CB-CZ 3.49Å; H1257-Y1259 AromaticContact CD2-CE1 3.93Å; H1257-Y1259 AromaticContact CD2-CZ 3.84Å; H1257-Y1259 PolarHBondContact CD2-OH 2.99Å; H1257-Y1259 AromaticContact CG-CE1 3.76Å; H1257-Y1259 AromaticContact CG-CZ 3.44Å; H1257-Y1259 VanDerWaalsContact CG-CZ 3.44Å; H1257-Y1259 AromaticContact ND1-CZ 3.82Å; H1257-Y1259 PolarHBondContact ND1-OH 2.96Å; H1257-Y1259 PolarHBondContact O-N 3.04Å
1260C90.9Very high83.8Confident23 Ų2374.9 Ų74.916%0.15539%0.386CS..THydrogen-bonded Turntrans-79.6-24.1176.9-75.40000112.3I1236 H1257I1236-C1260 HydrophobicContact CB-CB 4.06Å; I1236-C1260 HydrophobicContact CD1-CB 4.08Å; I1236-C1260 WeakPolarHBondContact CD1-O 3.38Å; I1236-C1260 HydrophobicContact CG2-CB 4.23Å; H1257-C1260 HydrophobicContact CB-CB 3.87Å; H1257-C1260 PolarHBondContact O-N 3.25Å
1261L85.7Confident83.8Confident7 Ų774.4 Ų74.44%0.03740%0.398CS..SBendtrans-62.2156.3176.3-69.1169000111.4L1247 F1256 H1257 P1263 P1264 L1265 W1273L1247-L1261 HydrophobicContact CD2-CD1 4.19Å; F1256-L1261 HydrophobicContact CB-CD1 4.21Å; F1256-L1261 HydrophobicContact CB-CD2 3.61Å; F1256-L1261 HydrophobicContact CB-CG 3.85Å; F1256-L1261 HydrophobicContact CD1-CD2 3.74Å; F1256-L1261 HydrophobicContact CG-CD2 3.74Å; H1257-L1261 PolarHBondContact O-N 3.44Å; L1261-P1263 CarbonylContact C-O 3.59Å; L1261-P1263 CarbonylContact O-C 3.03Å; L1261-P1263 VanDerWaalsContact O-C 3.25Å; L1261-P1264 WeakPolarHBondContact O-CA 3.4Å; L1261-P1264 WeakPolarHBondContact O-CD 3.24Å; L1261-L1265 HydrophobicContact CD1-CD1 3.51Å; L1261-L1265 HydrophobicContact CD1-CG 3.96Å; L1261-W1273 HydrophobicContact CD1-CH2 3.92Å; L1261-W1273 HydrophobicContact CD1-CZ2 3.52Å; L1261-W1273 HydrophobicContact CD2-CH2 3.84Å; L1261-W1273 HydrophobicContact CD2-CZ2 3.77Å; L1261-W1273 HydrophobicContact CG-CZ2 4.32Å
1262R78.9Confident84Confident232 Ų23278.4 Ų78.488%0.87541%0.407SS*.SBendtrans-127.2114.7174.7-73.5-165.8179.7133.6-0.9110.5
1263P84Confident84.3Confident107 Ų10778.5 Ų78.570%0.69540%0.403SS*.SBendcis-63.4150.9-5.828.3-34.3000112.3L1261 L1265L1261-P1263 CarbonylContact C-O 3.59Å; L1261-P1263 CarbonylContact O-C 3.03Å; L1261-P1263 VanDerWaalsContact O-C 3.25Å; P1263-L1265 PolarHBondContact O-N 3.03Å
1264P85.1Confident84.4Confident83 Ų8380.6 Ų80.654%0.53941%0.411SS..PPolyproline II helixtrans-58.8130.2173.8-24.834.8000110.7L1258 L1261L1258-P1264 CarbonylContact O-C 3.44Å; L1258-P1264 WeakPolarHBondContact O-CA 3.46Å; L1261-P1264 WeakPolarHBondContact O-CA 3.4Å; L1261-P1264 WeakPolarHBondContact O-CD 3.24Å
1265L85.2Confident84.5Confident52 Ų5278 Ų7827%0.27240%0.397SS..PPolyproline II helixtrans-84.6138.2174.6-62.2-179.3000109.1L1247 L1258 L1261 P1263 P1269L1247-L1265 HydrophobicContact CD2-CD1 3.9Å; L1258-L1265 CarbonylContact C-O 3.48Å; L1258-L1265 HydrophobicContact CB-CB 4.3Å; L1258-L1265 WeakPolarHBondContact CB-O 3.27Å; L1258-L1265 HydrophobicContact CD2-CB 3.84Å; L1258-L1265 HydrophobicContact CD2-CD1 4.24Å; L1258-L1265 PolarHBondContact O-N 3.46Å; L1261-L1265 HydrophobicContact CD1-CD1 3.51Å; L1261-L1265 HydrophobicContact CD1-CG 3.96Å; P1263-L1265 PolarHBondContact O-N 3.03Å; L1265-P1269 HydrophobicContact CD1-CG 3.71Å
1266K82.6Confident84Confident205 Ų20581.4 Ų81.489%0.89142%0.419SS*.SBendtrans-92.1-21.2177.1-68-175.1179.7-179.80113.2
1267R83.5Confident83.4Confident215 Ų21585.6 Ų85.681%0.81145%0.445SS*.SBendtrans-144153.1-178.5-68.7-175.1178.2173.6-1.8108.4P1269R1267-P1269 WeakPolarHBondContact O-CD 3.38Å
1268V83.9Confident82.6Confident89 Ų8987.7 Ų87.754%0.53946%0.459SS..PPolyproline II helixtrans-58.8124.6170.11760000108.5L1247 L1258L1247-V1268 HydrophobicContact CD1-CG1 3.82Å; L1247-V1268 HydrophobicContact CD1-CG2 4.49Å; L1258-V1268 HydrophobicContact CD1-CG2 4.12Å; L1258-V1268 HydrophobicContact CD2-CG2 4.41Å
1269P82.1Confident81.8Confident45 Ų4588.4 Ų88.429%0.29247%0.469SS..PPolyproline II helixtrans-59.9145.6174.9-24.336.3000111.6L1247 L1265 R1267 W1273L1247-P1269 HydrophobicContact CD2-CG 4.23Å; L1265-P1269 HydrophobicContact CD1-CG 3.71Å; R1267-P1269 WeakPolarHBondContact O-CD 3.38Å; P1269-W1273 HydrophobicContact CB-CB 4.34Å; P1269-W1273 HydrophobicContact CB-CG 4.47Å; P1269-W1273 HydrophobicContact CG-CB 4.38Å; P1269-W1273 HydrophobicContact CG-CG 4.05Å
1270T75.9Confident80.3Confident146 Ų14688.8 Ų88.890%0.89649%0.485SS*.SBendtrans-85.2132.7174.551.30000110.6
1271G78.3Confident78.2Confident61 Ų6190.1 Ų90.163%0.62950%0.497SS*.SBendtrans84.9-172.5-175.100000112.8W1273G1271-W1273 PolarHBondContact O-N 3.26Å
1272D76.4Confident76.7Confident131 Ų13193.1 Ų93.170%0.70152%0.519SS*.  trans-62.9121.1-176.5-59.1-16.7000111.2D1250 F1274D1250-D1272 HydrophobicContact CB-CB 4.46Å; D1250-D1272 VanDerWaalsContact OD2-CA 3.23Å; D1250-D1272 WeakPolarHBondContact OD2-CA 3.45Å; D1272-F1274 HydrophobicContact CB-CE2 3.76Å; D1272-F1274 HydrophobicContact CB-CZ 4.06Å
1273W85Confident75.5Confident37 Ų3793.2 Ų93.214%0.1452%0.519CS..  trans-107.1125.3175.9179.781.1000111.3L1247 C1249 D1250 F1256 L1261 P1269 G1271 C1275L1247-W1273 HydrophobicContact CD2-CD2 3.41Å; L1247-W1273 VanDerWaalsContact CD2-CD2 3.41Å; L1247-W1273 HydrophobicContact CD2-CE3 3.58Å; L1247-W1273 HydrophobicContact CD2-CG 3.85Å; L1247-W1273 HydrophobicContact CD2-CH2 4.19Å; L1247-W1273 HydrophobicContact CD2-CZ2 4.05Å; L1247-W1273 HydrophobicContact CD2-CZ3 3.96Å; L1247-W1273 HydrophobicContact CG-CD2 4.03Å; L1247-W1273 HydrophobicContact CG-CE3 3.68Å; L1247-W1273 HydrophobicContact CG-CZ3 3.97Å; C1249-W1273 WeakPolarHBondContact CA-O 3.06Å; C1249-W1273 HydrophobicContact CB-CE3 4.16Å; C1249-W1273 HydrophobicContact CB-CZ3 3.75Å; D1250-W1273 PolarHBondContact N-O 2.97Å; D1250-W1273 PolarHBondContact OD2-N 3.46Å; F1256-W1273 HydrophobicContact CB-CH2 4.27Å; F1256-W1273 AromaticContact CD2-CH2 3.66Å; F1256-W1273 HydrophobicContact CD2-CH2 3.66Å; F1256-W1273 AromaticContact CD2-CZ3 3.89Å; F1256-W1273 HydrophobicContact CD2-CZ3 3.89Å; F1256-W1273 HydrophobicContact CE2-CH2 4.24Å; F1256-W1273 HydrophobicContact CE2-CZ3 4.44Å; F1256-W1273 HydrophobicContact CG-CH2 4.08Å; L1261-W1273 HydrophobicContact CD1-CH2 3.92Å; L1261-W1273 HydrophobicContact CD1-CZ2 3.52Å; L1261-W1273 HydrophobicContact CD2-CH2 3.84Å; L1261-W1273 HydrophobicContact CD2-CZ2 3.77Å; L1261-W1273 HydrophobicContact CG-CZ2 4.32Å; P1269-W1273 HydrophobicContact CB-CB 4.34Å; P1269-W1273 HydrophobicContact CB-CG 4.47Å; P1269-W1273 HydrophobicContact CG-CB 4.38Å; P1269-W1273 HydrophobicContact CG-CG 4.05Å; G1271-W1273 PolarHBondContact O-N 3.26Å; W1273-C1275 VanDerWaalsContact CH2-CA 3.5Å; W1273-C1275 HydrophobicContact CH2-CB 3.61Å; W1273-C1275 HydrophobicContact CZ2-CB 4.28Å; W1273-C1275 HydrophobicContact CZ3-CB 3.98Å
1274F83Confident74.4Confident78 Ų7890.8 Ų90.834%0.34251%0.508SS..  trans-110.5130.2176.2-60.8-81.3000110.4D1250 D1272 C1278D1250-F1274 HydrophobicContact CB-CD1 4.49Å; D1250-F1274 HydrophobicContact CB-CE1 4.07Å; D1250-F1274 HydrophobicContact CB-CZ 4.38Å; D1272-F1274 HydrophobicContact CB-CE2 3.76Å; D1272-F1274 HydrophobicContact CB-CZ 4.06Å; F1274-C1278 HydrophobicContact CB-CB 3.97Å; F1274-C1278 HydrophobicContact CD1-CB 4.02Å; F1274-C1278 HydrophobicContact CG-CB 4.46Å
1275C85.3Confident73.1Confident0 Ų090.1 Ų90.10%050%0.5CS..  trans-60.2164.1175.275.90000111.4C1249 C1252 F1256 W1273 T1277 C1278 G1279C1249-C1275 HydrophobicContact CB-CB 3.85Å; C1249-C1275 PolarHBondContact SG-N 3.45Å; C1252-C1275 VanDerWaalsContact SG-SG 3.68Å; F1256-C1275 HydrophobicContact CD2-CB 4.09Å; F1256-C1275 HydrophobicContact CE2-CB 3.37Å; F1256-C1275 HydrophobicContact CZ-CB 3.63Å; W1273-C1275 VanDerWaalsContact CH2-CA 3.5Å; W1273-C1275 HydrophobicContact CH2-CB 3.61Å; W1273-C1275 HydrophobicContact CZ2-CB 4.28Å; W1273-C1275 HydrophobicContact CZ3-CB 3.98Å; C1275-T1277 PolarHBondContact O-N 3.25Å; C1275-T1277 PolarHBondContact SG-N 3.48Å; C1275-C1278 CarbonylContact O-C 3.58Å; C1275-C1278 PolarHBondContact O-N 2.93Å; C1275-G1279 PolarHBondContact O-N 3.44Å
1276P77.6Confident72Confident76 Ų7693.3 Ų93.349%0.49451%0.513SS..THydrogen-bonded Turntrans-58.1-9.8179.5-25.834.8000115.8
1277T75.7Confident71.4Confident94 Ų9489.9 Ų89.958%0.57750%0.498SS*.THydrogen-bonded Turntrans-89.2-36.6172.4-43.90000112.3R1235 C1275R1235-T1277 PolarHBondContact NH1-OG1 2.72Å; C1275-T1277 PolarHBondContact O-N 3.25Å; C1275-T1277 PolarHBondContact SG-N 3.48Å
1278C76.3Confident70.9Confident44 Ų4487.5 Ų87.530%0.29749%0.489SS..THydrogen-bonded Turntrans-98.1-18-178.3-62.70000113.6C1249 C1252 F1274 C1275C1249-C1278 VanDerWaalsContact SG-SG 3.69Å; C1252-C1278 WeakPolarHBondContact CB-SG 3.49Å; C1252-C1278 PolarHBondContact SG-SG 2.71Å; F1274-C1278 HydrophobicContact CB-CB 3.97Å; F1274-C1278 HydrophobicContact CD1-CB 4.02Å; F1274-C1278 HydrophobicContact CG-CB 4.46Å; C1275-C1278 CarbonylContact O-C 3.58Å; C1275-C1278 PolarHBondContact O-N 2.93Å
1279G71.1Confident70.4Confident23 Ų2387.9 Ų87.924%0.23748%0.484CS..SBendtrans-56143.5-178.300000110.3C1275 A1281C1275-G1279 PolarHBondContact O-N 3.44Å; G1279-A1281 PolarHBondContact O-N 3.35Å
1280P60.6Low69.9Low117 Ų11794.5 Ų94.576%0.7650%0.503SS*.  trans-51.1124.117920.9-31.4000106.9S1282P1280-S1282 PolarHBondContact O-N 2.96Å
1281A46.6Very low70.2Confident50 Ų5092.1 Ų92.141%0.41348%0.481SS..  trans-60.490.7-179.900000107G1279 R1283 E1286G1279-A1281 PolarHBondContact O-N 3.35Å; A1281-R1283 PolarHBondContact O-N 3.36Å; A1281-E1286 HydrophobicContact CB-CB 4.35Å; A1281-E1286 WeakPolarHBondContact CB-OE2 3.31Å
1282S53Low70.1Confident71 Ų7194.3 Ų94.350%0.49748%0.476SS..  trans-52.1123.1168.8170.90000104P1280 A1284 L1285 E1286P1280-S1282 PolarHBondContact O-N 2.96Å; S1282-A1284 CarbonylContact O-C 3.6Å; S1282-A1284 PolarHBondContact O-N 3.15Å; S1282-L1285 WeakPolarHBondContact O-CA 3.31Å; S1282-L1285 PolarHBondContact O-N 2.96Å; S1282-E1286 PolarHBondContact O-N 3.41Å; S1282-E1286 VanDerWaalsContact O-N 3.15Å
1283R55.4Low70.2Confident233 Ų23396.6 Ų96.688%0.87947%0.474SS*.Hα-helixtrans-46-28.8-180-75.1-178177.8172.1-0.6111.3A1281 K1287A1281-R1283 PolarHBondContact O-N 3.36Å; R1283-K1287 WeakPolarHBondContact O-CB 3.49Å; R1283-K1287 PolarHBondContact O-N 3.37Å
1284A60.3Low70Confident56 Ų5699.6 Ų99.646%0.46349%0.493SS..Hα-helixtrans-67.3-41.8172.800000115.2S1282 R1288S1282-A1284 CarbonylContact O-C 3.6Å; S1282-A1284 PolarHBondContact O-N 3.15Å; A1284-R1288 VanDerWaalsContact O-CB 3.32Å; A1284-R1288 WeakPolarHBondContact O-CB 3.4Å; A1284-R1288 PolarHBondContact O-N 3.33Å
1285L56.5Low69.9Low70 Ų7098 Ų9837%0.36649%0.494SS..Hα-helixtrans-70.7-39176.7-175.866.8000111.3S1282 R1288 K1289S1282-L1285 WeakPolarHBondContact O-CA 3.31Å; S1282-L1285 PolarHBondContact O-N 2.96Å; L1285-R1288 PolarHBondContact O-N 3.33Å; L1285-K1289 PolarHBondContact O-N 3.45Å
1286E62.1Low69.6Low118 Ų118104.9 Ų104.955%0.55152%0.52SS*.Hα-helixtrans-69.8-42.2178.3-159.1145.7-137.400111.5A1281 S1282 R1288 K1289 R1290A1281-E1286 HydrophobicContact CB-CB 4.35Å; A1281-E1286 WeakPolarHBondContact CB-OE2 3.31Å; S1282-E1286 PolarHBondContact O-N 3.41Å; S1282-E1286 VanDerWaalsContact O-N 3.15Å; E1286-R1288 VanDerWaalsContact C-N 3.33Å; E1286-R1288 PolarHBondContact O-N 3.08Å; E1286-K1289 PolarHBondContact O-N 2.93Å; E1286-R1290 VanDerWaalsContact O-CB 3.31Å; E1286-R1290 WeakPolarHBondContact O-CB 3.48Å; E1286-R1290 PolarHBondContact O-N 3.39Å
1287K71.2Confident69.7Low133 Ų133103.8 Ų103.858%0.57851%0.514SS*.Hα-helixtrans-55.3-47.6168-177.6174.6178.1-178.90111.1R1283 R1290 E1291R1283-K1287 WeakPolarHBondContact O-CB 3.49Å; R1283-K1287 PolarHBondContact O-N 3.37Å; K1287-R1290 PolarHBondContact O-N 3.43Å; K1287-E1291 WeakPolarHBondContact CE-OE1 3.46Å; K1287-E1291 HydrophobicContact CG-CG 4.44Å; K1287-E1291 WeakPolarHBondContact CG-OE1 3.34Å; K1287-E1291 WeakPolarHBondContact O-CB 3.37Å; K1287-E1291 VanDerWaalsContact O-CG 3.25Å; K1287-E1291 WeakPolarHBondContact O-CG 3.33Å; K1287-E1291 PolarHBondContact O-N 2.99Å
1288R73.4Confident69.8Low165 Ų165102 Ų10262%0.62351%0.508SS*.Hα-helixtrans-64-43.2178.7-158.5-173.6-53.8-159.12.4112.9A1284 L1285 E1286 E1291 E1292A1284-R1288 VanDerWaalsContact O-CB 3.32Å; A1284-R1288 WeakPolarHBondContact O-CB 3.4Å; A1284-R1288 PolarHBondContact O-N 3.33Å; L1285-R1288 PolarHBondContact O-N 3.33Å; E1286-R1288 VanDerWaalsContact C-N 3.33Å; E1286-R1288 PolarHBondContact O-N 3.08Å; R1288-E1291 PolarHBondContact O-N 3.36Å; R1288-E1292 VanDerWaalsContact O-CB 3.3Å; R1288-E1292 WeakPolarHBondContact O-CB 3.42Å; R1288-E1292 PolarHBondContact O-N 3.38Å
1289K72.5Confident69.8Low97 Ų97109 Ų10942%0.42253%0.528SS..Hα-helixtrans-64.7-38.8175.5-79.1-177.2179.6171.50111.8L1285 E1286 E1292 R1293L1285-K1289 PolarHBondContact O-N 3.45Å; E1286-K1289 PolarHBondContact O-N 2.93Å; K1289-E1292 PolarHBondContact O-N 2.78Å; K1289-R1293 PolarHBondContact O-N 2.77Å
1290R72.3Confident70Confident184 Ų184117.8 Ų117.869%0.69456%0.555SS**Hα-helixtrans-66.1-46.8175.6-172.4174.2-177158.10.1110.9E1286 K1287 E1292 R1293 L1294E1286-R1290 VanDerWaalsContact O-CB 3.31Å; E1286-R1290 WeakPolarHBondContact O-CB 3.48Å; E1286-R1290 PolarHBondContact O-N 3.39Å; K1287-R1290 PolarHBondContact O-N 3.43Å; R1290-E1292 VanDerWaalsContact C-N 3.3Å; R1290-E1292 PolarHBondContact O-N 2.84Å; R1290-R1293 PolarHBondContact O-N 3.09Å; R1290-L1294 HydrophobicContact CG-CD1 4.1Å; R1290-L1294 WeakPolarHBondContact O-CB 3.11Å; R1290-L1294 VanDerWaalsContact O-CG 3.26Å; R1290-L1294 WeakPolarHBondContact O-CG 3.37Å; R1290-L1294 PolarHBondContact O-N 3.16Å
1291E81.4Confident70.5Confident96 Ų96121.1 Ų121.145%0.44955%0.552SS.*Hα-helixtrans-59.3-40.3173.2-75.1169.2178.100111.6K1287 R1288 L1294 A1295K1287-E1291 WeakPolarHBondContact CE-OE1 3.46Å; K1287-E1291 HydrophobicContact CG-CG 4.44Å; K1287-E1291 WeakPolarHBondContact CG-OE1 3.34Å; K1287-E1291 WeakPolarHBondContact O-CB 3.37Å; K1287-E1291 VanDerWaalsContact O-CG 3.25Å; K1287-E1291 WeakPolarHBondContact O-CG 3.33Å; K1287-E1291 PolarHBondContact O-N 2.99Å; R1288-E1291 PolarHBondContact O-N 3.36Å; E1291-L1294 PolarHBondContact O-N 3.14Å; E1291-A1295 VanDerWaalsContact O-CB 3.25Å; E1291-A1295 WeakPolarHBondContact O-CB 3.42Å; E1291-A1295 PolarHBondContact O-N 3.36Å
1292E77.2Confident71.5Confident108 Ų108127 Ų12751%0.50557%0.568SS.*Hα-helixtrans-69-40.2178.6-154.7-171.116800112R1288 K1289 R1290 A1295 R1296R1288-E1292 VanDerWaalsContact O-CB 3.3Å; R1288-E1292 WeakPolarHBondContact O-CB 3.42Å; R1288-E1292 PolarHBondContact O-N 3.38Å; K1289-E1292 PolarHBondContact O-N 2.78Å; R1290-E1292 VanDerWaalsContact C-N 3.3Å; R1290-E1292 PolarHBondContact O-N 2.84Å; E1292-A1295 PolarHBondContact O-N 3.48Å; E1292-R1296 VanDerWaalsContact O-CB 3.3Å; E1292-R1296 WeakPolarHBondContact O-CB 3.25Å; E1292-R1296 PolarHBondContact O-N 2.85Å; E1292-R1296 IonicContact OE1-NH2 3.06Å; E1292-R1296 PolarHBondContact OE1-NH2 2.97Å; E1292-R1296 IonicContact OE2-NH2 3.39Å
1293R79.1Confident72.2Confident179 Ų179133.7 Ų133.768%0.67558%0.583SS**Hα-helixtrans-61.8-44.2171.2-78.3-177.3-162.9155.54.9111.5K1289 R1290 R1296 S1297K1289-R1293 PolarHBondContact O-N 2.77Å; R1290-R1293 PolarHBondContact O-N 3.09Å; R1293-R1296 PolarHBondContact O-N 3.32Å; R1293-S1297 PolarHBondContact O-N 3.28Å; R1293-S1297 PolarHBondContact O-OG 3.21Å
1294L80.4Confident72.4Confident100 Ų100125.5 Ų125.552%0.52457%0.565SS.*Hα-helixtrans-65.9-39.3177.7-72.5167.4000111.9R1290 E1291 R1296 S1297 A1298R1290-L1294 HydrophobicContact CG-CD1 4.1Å; R1290-L1294 WeakPolarHBondContact O-CB 3.11Å; R1290-L1294 VanDerWaalsContact O-CG 3.26Å; R1290-L1294 WeakPolarHBondContact O-CG 3.37Å; R1290-L1294 PolarHBondContact O-N 3.16Å; E1291-L1294 PolarHBondContact O-N 3.14Å; L1294-R1296 VanDerWaalsContact C-N 3.34Å; L1294-S1297 PolarHBondContact O-N 3.09Å; L1294-S1297 PolarHBondContact O-OG 3.5Å; L1294-A1298 WeakPolarHBondContact O-CB 3.35Å; L1294-A1298 PolarHBondContact O-N 2.94Å
1295A79.2Confident72.3Confident45 Ų45129.7 Ų129.737%0.37258%0.579SS.*Hα-helixtrans-67-38.3175.400000111.3E1291 E1292 A1298 R1299E1291-A1295 VanDerWaalsContact O-CB 3.25Å; E1291-A1295 WeakPolarHBondContact O-CB 3.42Å; E1291-A1295 PolarHBondContact O-N 3.36Å; E1292-A1295 PolarHBondContact O-N 3.48Å; A1295-A1298 PolarHBondContact O-N 3.07Å; A1295-R1299 WeakPolarHBondContact O-CB 3.36Å; A1295-R1299 VanDerWaalsContact O-CG 3.31Å; A1295-R1299 WeakPolarHBondContact O-CG 3.39Å; A1295-R1299 PolarHBondContact O-N 2.8Å
1296R79.6Confident72.2Confident144 Ų144131.3 Ų131.354%0.54360%0.596SS.*Hα-helixtrans-68.1-39.3176.8-147.1175.2-66.8139.1-2.5111.3E1292 R1293 L1294 R1300E1292-R1296 VanDerWaalsContact O-CB 3.3Å; E1292-R1296 WeakPolarHBondContact O-CB 3.25Å; E1292-R1296 PolarHBondContact O-N 2.85Å; E1292-R1296 IonicContact OE1-NH2 3.06Å; E1292-R1296 PolarHBondContact OE1-NH2 2.97Å; E1292-R1296 IonicContact OE2-NH2 3.39Å; R1293-R1296 PolarHBondContact O-N 3.32Å; L1294-R1296 VanDerWaalsContact C-N 3.34Å; R1296-R1300 PolarHBondContact O-N 3.5Å
1297S79.8Confident71.5Confident53 Ų53129.9 Ų129.937%0.37160%0.599SS.*Hα-helixtrans-70-38.6173.6710000112.4R1293 L1294 R1300 R1301R1293-S1297 PolarHBondContact O-N 3.28Å; R1293-S1297 PolarHBondContact O-OG 3.21Å; L1294-S1297 PolarHBondContact O-N 3.09Å; L1294-S1297 PolarHBondContact O-OG 3.5Å; S1297-R1300 WeakPolarHBondContact O-CB 3.2Å; S1297-R1300 PolarHBondContact O-N 3.39Å; S1297-R1301 PolarHBondContact O-N 3.32Å
1298A77.6Confident69.9Low55 Ų55130.2 Ų130.246%0.45561%0.607SS.*Hα-helixtrans-64-43.2175.800000112.3L1294 A1295 R1300 R1301 K1302L1294-A1298 WeakPolarHBondContact O-CB 3.35Å; L1294-A1298 PolarHBondContact O-N 2.94Å; A1295-A1298 PolarHBondContact O-N 3.07Å; A1298-R1300 PolarHBondContact O-N 3.14Å; A1298-R1301 PolarHBondContact O-N 3.48Å; A1298-K1302 WeakPolarHBondContact O-CB 3.31Å; A1298-K1302 PolarHBondContact O-N 3.47Å
1299R77.3Confident68.2Low191 Ų191129.6 Ų129.672%0.72162%0.616SS**Hα-helixtrans-61-35173.5-75.1177.2-175.1-174.32.2112.1A1295 R1303A1295-R1299 WeakPolarHBondContact O-CB 3.36Å; A1295-R1299 VanDerWaalsContact O-CG 3.31Å; A1295-R1299 WeakPolarHBondContact O-CG 3.39Å; A1295-R1299 PolarHBondContact O-N 2.8Å; R1299-R1303 PolarHBondContact O-N 2.84Å
1300R73.8Confident66.4Low208 Ų208134.2 Ų134.279%0.78564%0.639SS**Hα-helixtrans-70.3-42.6177.1-145.6176.1-174-179.50.4111.5R1296 S1297 A1298 R1303 A1304R1296-R1300 PolarHBondContact O-N 3.5Å; S1297-R1300 WeakPolarHBondContact O-CB 3.2Å; S1297-R1300 PolarHBondContact O-N 3.39Å; A1298-R1300 PolarHBondContact O-N 3.14Å; R1300-R1303 PolarHBondContact O-N 2.92Å; R1300-A1304 PolarHBondContact O-N 3.41Å
1301R71.4Confident64.2Low187 Ų187134.6 Ų134.671%0.70665%0.649SS**Hα-helixtrans-64-41.2173.2-81-175.6-172.3161.51.6113S1297 A1298 R1303 A1304 L1305S1297-R1301 PolarHBondContact O-N 3.32Å; A1298-R1301 PolarHBondContact O-N 3.48Å; R1301-R1303 VanDerWaalsContact C-N 3.27Å; R1301-R1303 PolarHBondContact O-N 3.21Å; R1301-A1304 WeakPolarHBondContact O-CB 3.37Å; R1301-A1304 PolarHBondContact O-N 3.19Å; R1301-L1305 PolarHBondContact O-N 3.04Å; R1301-L1305 VanDerWaalsContact O-N 3.13Å
1302K68.6Low61.6Low175 Ų175138.6 Ų138.676%0.76167%0.667SS**Hα-helixtrans-67.1-28.7-179.2-145.2177.7-170.9-178.30112.9A1298A1298-K1302 WeakPolarHBondContact O-CB 3.31Å; A1298-K1302 PolarHBondContact O-N 3.47Å
1303R68.1Low59.2Low210 Ų210140.3 Ų140.379%0.79268%0.68SS**Hα-helixtrans-75.2-24.8170.9-77-179.4177.8179.5-2.9113.4R1299 R1300 R1301R1299-R1303 PolarHBondContact O-N 2.84Å; R1300-R1303 PolarHBondContact O-N 2.92Å; R1301-R1303 VanDerWaalsContact C-N 3.27Å; R1301-R1303 PolarHBondContact O-N 3.21Å
1304A59.5Low56.9Low61 Ų61139.7 Ų139.750%0.50469%0.689SS.*Hα-helixtrans-79.8-32.1178.300000112.3R1300 R1301 S1306R1300-A1304 PolarHBondContact O-N 3.41Å; R1301-A1304 WeakPolarHBondContact O-CB 3.37Å; R1301-A1304 PolarHBondContact O-N 3.19Å; A1304-S1306 VanDerWaalsContact C-N 3.34Å; A1304-S1306 PolarHBondContact O-N 2.94Å
1305L56.9Low54.2Low145 Ų145139.7 Ų139.776%0.75970%0.698SS**THydrogen-bonded Turntrans-81.2-1.5-176.8-82.3155.9000115.5R1301R1301-L1305 PolarHBondContact O-N 3.04Å; R1301-L1305 VanDerWaalsContact O-N 3.13Å
1306S54.2Low51.8Low104 Ų104144.5 Ų144.573%0.72772%0.717SS**THydrogen-bonded Turntrans-107.421.8177.574.10000112.8A1304A1304-S1306 VanDerWaalsContact C-N 3.34Å; A1304-S1306 PolarHBondContact O-N 2.94Å
1307S47.3Very low49.5Very low88 Ų88145.7 Ų145.762%0.61574%0.735SS**SBendtrans-121.4-4.8-172.7-170.90000114.6
1308D39.4Very low46.9Very low140 Ų140149.9 Ų149.975%0.74975%0.753SS**  trans-125.941.2-167.4-65.5-15.4000113.3
1309D37.5Very low44.4Very low152 Ų152155.1 Ų155.181%0.81377%0.768SS**  trans-125.2139.5161.7-70.6-50.3000107.3
1310E33Very low41.9Very low193 Ų193154.3 Ų154.390%0.90277%0.772SS**  trans101.950.5-177.7-49.4-76.8156.100116
1311E26.2Very low39.4Very low192 Ų192149.2 Ų149.290%0.89777%0.768SS**  trans-124.794.6149.9-90.8-169.3171.400109.2
1312Q27.3Very low37.1Very low180 Ų180145.8 Ų145.884%0.84177%0.773SS**  trans-166.6126.1147.5-113.6172.4-3.100112.5
1313L26.4Very low35.4Very low145 Ų145141.4 Ų141.476%0.75978%0.778SS**  trans77.9105.4156.5-53.6166000116.8
1314N30.8Very low33.3Very low165 Ų165140.4 Ų140.488%0.88278%0.782SS**  -170.2113.7109.4-85-29.8000110.8
1315S25.2Very low31.6Very low101 Ų101142.7 Ų142.771%0.70679%0.794SS**  trans-76.8144.116849.40000111.3
1316D27.9Very low30.3Very low145 Ų145145.3 Ų145.378%0.77580%0.803SS**  trans56.2114.9148.6-58.6-22.8000119.3
1317N31.8Very low29Very low170 Ų170146.9 Ų146.991%0.90981%0.808SS**  -157.9138.9130-92.6-40.8000112.3
1318N25.3Very low28.2Very low140 Ų140147.5 Ų147.575%0.74982%0.818SS**  trans-74.8166.7-174.5-75.4-44.1000114.5
1319E24.4Very low27.5Very low165 Ų165149.8 Ų149.877%0.77183%0.825SS**  trans92.3127.3136.6-87.5163.4-160.400122.4
1320E24Very low26.9Very low174 Ų174152 Ų15281%0.81383%0.827SS**  trans86.5108.4140.5-72.5-175165.900122.6
1321S23.2Very low26.5Very low101 Ų101148.4 Ų148.471%0.70682%0.818SS**  74.4118.2114.8-159.70000122.3
1322S23Very low26.6Very low115 Ų115149.3 Ų149.380%0.80482%0.819SS**  trans61.6122.5135.865.70000121.4
1323G31.3Very low26.5Very low83 Ų83152.5 Ų152.586%0.85682%0.823SS**  trans174.5111.3158.700000112.9
1324E24.8Very low26.5Very low189 Ų189157.6 Ų157.688%0.88383%0.832SS**  trans-80.4157.2-179.1-63.2-178.9143.500114.5
1325S24.1Very low26.4Very low109 Ų109157.5 Ų157.576%0.76283%0.832SS**  trans64116.2143.3-59.30000122.4
1326E28.9Very low27.3Very low200 Ų200157.9 Ų157.994%0.93583%0.832SS**  178.5158.8110.8-102.3-172165.200114
1327V26.6Very low27.1Very low137 Ų137163 Ų16383%0.8384%0.84SS**  trans-99.4148.1-157.21700000113.5
1328A31.5Very low27.1Very low102 Ų102160.1 Ų160.184%0.84383%0.834SS**  trans-172.9128.3139.700000114.8
1329Q24.9Very low27.4Very low188 Ų188158.8 Ų158.888%0.87984%0.835SS**  trans-94.6138.2-178.8-73175.3-21.800114.4
1330K24.5Very low27.3Very low197 Ų197162.6 Ų162.686%0.85784%0.842SS**  40.6134.8118.5-123.3174.7-168.9171.60122.3
1331V24.7Very low27.6Very low118 Ų118159.7 Ų159.772%0.71584%0.842SS**  trans95.1105150.6-166.70000118.7
1332K28.6Very low27.6Very low212 Ų212164.7 Ų164.792%0.92285%0.85SS**  trans-142.5108.7145.9-86.4-175.8-179.6166.90111.3
1333R24.7Very low27.7Very low247 Ų247163 Ų16393%0.93285%0.852SS**  trans-81.7135.4163.4-77.7176.5142.7-179-7.1109.1
1334R27.4Very low27.3Very low251 Ų251162.7 Ų162.795%0.94785%0.848SS**  trans-106.1144.8177.4-94.3178.3163.6177.1-4.3111.9
1335N27.7Very low27.2Very low164 Ų164160.6 Ų160.688%0.87784%0.843SS**  trans-77.1168.2-164.7-112.4-7.3000116.5
1336P44.4Very low27.2Very low108 Ų108161.6 Ų161.670%0.70184%0.84SS**  trans-102.1146.8-176.238-29.7000114.4
1337R23.7Very low27.2Very low252 Ų252157.7 Ų157.795%0.95183%0.834SS**  trans-157.5116.7164.6-74.2-169.3175.6164.3-2.8113.2
1338S31.6Very low27.3Very low111 Ų111156.9 Ų156.978%0.77684%0.835SS**  trans-173.997.8138.457.80000108.4
1339S31.3Very low27.2Very low111 Ų111156.9 Ų156.978%0.77684%0.835SS**  6876.580.372.20000116.1
1340R23.2Very low27.2Very low245 Ų245157.9 Ų157.993%0.92584%0.837SS**  34.7118.1114.6-173171.9169166.6-4.5118.6
1341S29Very low27.1Very low114 Ų114154.6 Ų154.680%0.79783%0.828SS**  trans163.8155133.843.70000110.6
1342K24.2Very low27.2Very low205 Ų205160.8 Ų160.889%0.89184%0.839SS**  cis175.2140.6-21-165.4176.9-174.9-1760105.5
1343G24.9Very low27Very low81 Ų81157.5 Ų157.584%0.83583%0.825SS**  trans89.1142.2166.300000114.8
1344G22.4Very low27.1Very low75 Ų75157.2 Ų157.277%0.77382%0.824SS**  cis151.2131.17.300000108.7
1345N23Very low27Very low146 Ų146150.6 Ų150.678%0.78182%0.816SS**  trans74.2128.3161.8-8633.5000124.7
1346D24.7Very low27.1Very low130 Ų130149.7 Ų149.770%0.69582%0.816SS**  trans63.1109.5135-68.4-29.2000121.3
1347S28.9Very low26.3Very low117 Ų117149.7 Ų149.782%0.81882%0.819SS**  -179.4125.391.1-72.80000110.1
1348S27.2Very low27.1Very low121 Ų121143.7 Ų143.785%0.84681%0.812SS**PPolyproline II helixtrans-59.4131.2-177.636.10000112.8
1349A29.2Very low26.8Very low102 Ų102143.2 Ų143.284%0.84382%0.815SS**PPolyproline II helixtrans-70.9131.5-179.300000112.2
1350F24.9Very low26.5Very low209 Ų209145.4 Ų145.492%0.91782%0.818SS**PPolyproline II helixtrans-77.7142.6169.8-113-93.8000111.8
1351N23.3Very low26.7Very low127 Ų127144.9 Ų144.968%0.67982%0.816SS**PPolyproline II helixtrans-62.4133.4-179.7-150.3-8.9000113
1352R27.8Very low26.5Very low249 Ų249146.7 Ų146.794%0.9482%0.817SS**  trans-144.597.3157.2-83.7-167.1176.4-179.4-0.9110.6
1353K24.4Very low26.7Very low142 Ų142142.5 Ų142.562%0.61781%0.813SS**  trans-65.2134.9159.3-66.4-172.1178.7-168.10109.6E1540K1353-E1540 IonicContact NZ-OE1 3.45Å; K1353-E1540 PolarHBondContact NZ-OE1 3.36Å
1354R26.4Very low26.9Very low242 Ų242144 Ų14491%0.91382%0.817SS**  trans-144.5117.8153.8-118.2-178.9-179-176.7-0.5109.4
1355S24.6Very low27.3Very low111 Ų111145 Ų14578%0.77681%0.813SS**  trans-46.4138.2175.647.80000115.7
1356V30.7Very low27.9Very low146 Ų146143.2 Ų143.289%0.88581%0.812SS**  trans-122.6120.1162.7177.50000108.1
1357S26.1Very low28.7Very low108 Ų108147 Ų14776%0.75582%0.816SS**  trans-70.6154.2-173.8-49.70000113.6
1358P41.4Very low29.7Very low125 Ų125149.3 Ų149.381%0.81282%0.819SS**  trans-98.2138.4-177.336.4-28.6000112.1
1359A24.4Very low31.6Very low102 Ų102145 Ų14584%0.84379%0.787SS**  trans157.1105.414300000110.9
1360N26.1Very low33.7Very low157 Ų157148.6 Ų148.684%0.8478%0.778SS**  trans-16199.2131.2-158.5-14.3000108.4N1362N1360-N1362 PolarHBondContact O-N 3.29Å
1361R28Very low36.6Very low234 Ų234141.3 Ų141.388%0.88375%0.747SS**  trans-84.2101.9174.3-75178.8174.5-179-0.4107.2
1362N24.7Very low39.5Very low152 Ų152137 Ų13781%0.81372%0.724SS**  trans-174.484.1151.5-92-16.4000109.5N1360N1360-N1362 PolarHBondContact O-N 3.29Å
1363S27.4Very low42.2Very low116 Ų116131 Ų13181%0.81172%0.715SS**  trans-162.782.6162.2-79.30000109S1365S1363-S1365 VanDerWaalsContact C-N 3.33Å; S1363-S1365 PolarHBondContact O-N 3.02Å
1364A28.5Very low45.3Very low112 Ų112125.1 Ų125.193%0.92669%0.692SS**  trans-72.783.6169.200000109.9
1365S32.1Very low48.5Very low96 Ų96113.6 Ų113.667%0.67165%0.648SS**  trans-171.8101.1162.256.20000112.6S1363S1363-S1365 VanDerWaalsContact C-N 3.33Å; S1363-S1365 PolarHBondContact O-N 3.02Å
1366S35.3Very low51.7Low109 Ų109108.3 Ų108.376%0.76261%0.611SS**  trans-17188.2143.8-830000108.2N1368S1366-N1368 PolarHBondContact O-N 3.46Å; S1366-N1368 VanDerWaalsContact O-N 3.11Å
1367R40.4Very low54.5Low211 Ų211103.1 Ų103.180%0.79658%0.58SS**  trans-54.8120.1161.9-73.3-179.7-175.2151.21.6106.4I1369R1367-I1369 PolarHBondContact O-N 2.89Å
1368N50.8Low57.6Low164 Ų164100.1 Ų100.188%0.87756%0.559SS**  trans-67.473.1-173.8-118.1-17.4000110.6S1366 R1370S1366-N1368 PolarHBondContact O-N 3.46Å; S1366-N1368 VanDerWaalsContact O-N 3.11Å; N1368-R1370 PolarHBondContact O-N 3.19Å
1369I66.7Low59.7Low32 Ų3296.1 Ų96.116%0.16453%0.534CS..  trans-70.2114.5176.2-67.8160.2000107R1367 H1371 S1389 P1392 T1426R1367-I1369 PolarHBondContact O-N 2.89Å; I1369-H1371 PolarHBondContact O-CE1 3.2Å; I1369-H1371 PolarHBondContact O-N 2.89Å; I1369-H1371 PolarHBondContact O-ND1 3.16Å; I1369-S1389 WeakPolarHBondContact CD1-O 3.5Å; I1369-P1392 HydrophobicContact CG2-CG 4.39Å; I1369-T1426 HydrophobicContact CD1-CG2 4.15Å
1370R74.7Confident62.4Low176 Ų17695.7 Ų95.766%0.66452%0.517SS*.  trans-74.3107.9171.9-75.2-174.1178.1-169.3-0.3109.2N1368 P1392N1368-R1370 PolarHBondContact O-N 3.19Å; R1370-P1392 WeakPolarHBondContact O-CB 2.87Å
1371H84.2Confident65Low56 Ų5692 Ų9226%0.25950%0.503SS..  trans-69.1154.8171.3-5785.6000111.9I1369 L1387 C1388 C1391 P1392 I1394I1369-H1371 PolarHBondContact O-CE1 3.2Å; I1369-H1371 PolarHBondContact O-N 2.89Å; I1369-H1371 PolarHBondContact O-ND1 3.16Å; H1371-L1387 HydrophobicContact CB-CD2 4.03Å; H1371-C1388 PolarHBondContact NE2-O 3.47Å; H1371-C1391 PolarHBondContact CD2-O 3.42Å; H1371-C1391 PolarHBondContact NE2-O 3.38Å; H1371-P1392 CarbonylContact C-O 3.54Å; H1371-P1392 WeakPolarHBondContact CA-O 3.43Å; H1371-I1394 HydrophobicContact CB-CD1 3.77Å; H1371-I1394 HydrophobicContact CB-CG1 3.74Å
1372D85.6Confident67.2Low36 Ų3686.1 Ų86.119%0.19349%0.494CS..  trans-59.6172.6169.1-66.3-39.4000110.2P1392 I1394 R1437D1372-P1392 PolarHBondContact N-O 3.15Å; D1372-I1394 WeakPolarHBondContact O-CD1 3.39Å; D1372-R1437 IonicContact OD1-NH1 3.06Å; D1372-R1437 IonicContact OD1-NH2 3.54Å; D1372-R1437 PolarHBondContact OD1-NH2 3.13Å; D1372-R1437 VanDerWaalsContact OD1-NH2 3.07Å; D1372-R1437 IonicContact OD2-CZ 3.16Å; D1372-R1437 IonicContact OD2-NH1 3.7Å; D1372-R1437 PolarHBondContact OD2-NH1 3.14Å; D1372-R1437 IonicContact OD2-NH2 3.79Å; D1372-R1437 PolarHBondContact OD2-NH2 2.8Å
1373T84.7Confident69.8Low123 Ų12381.6 Ų81.676%0.75548%0.483SS*.SBendtrans-101.2-2.7177.854.40000113.6S1381T1373-S1381 WeakPolarHBondContact O-CB 3.42Å
1374S88.7Confident72.4Confident19 Ų1981.3 Ų81.313%0.13347%0.473CS..SBendtrans-146.6151-176.763.10000111.7L1376 S1379 D1380 R1434S1374-L1376 PolarHBondContact O-N 3.07Å; S1374-S1379 VanDerWaalsContact CB-O 3.24Å; S1374-S1379 WeakPolarHBondContact CB-O 3.47Å; S1374-S1379 PolarHBondContact OG-O 2.69Å; S1374-D1380 WeakPolarHBondContact CB-O 3.44Å; S1374-R1434 PolarHBondContact O-NH2 3.46Å; S1374-R1434 PolarHBondContact OG-NH2 3.07Å; S1374-R1434 VanDerWaalsContact OG-NH2 3.09Å
1375C94.1Very high75.2Confident0 Ų078.4 Ų78.40%044%0.441CS..  trans-51.1131.4-176.6172.90000112V1377 S1379 D1380 I1394 H1396 C1399 R1434C1375-V1377 PolarHBondContact O-N 3.27Å; C1375-V1377 PolarHBondContact SG-N 3.11Å; C1375-S1379 WeakPolarHBondContact O-CA 3.42Å; C1375-S1379 PolarHBondContact O-N 3.49Å; C1375-D1380 WeakPolarHBondContact CB-O 3.45Å; C1375-D1380 PolarHBondContact N-O 3.18Å; C1375-I1394 CarbonylContact C-O 3.57Å; C1375-I1394 WeakPolarHBondContact CA-O 3.46Å; C1375-H1396 WeakPolarHBondContact CB-ND1 3.46Å; C1375-H1396 PolarHBondContact SG-N 2.98Å; C1375-H1396 VanDerWaalsContact SG-N 3.43Å; C1375-C1399 WeakPolarHBondContact SG-CB 3.3Å; C1375-R1434 PolarHBondContact O-NH2 3.1Å
1376L92.3Very high77.9Confident0 Ų074.2 Ų74.20%041%0.411CS..THydrogen-bonded Turntrans-57.3-34.2-178.8-176.170.6000111.9S1374 N1393 I1394 F1395 R1434 R1437 R1438 Y1441S1374-L1376 PolarHBondContact O-N 3.07Å; L1376-N1393 HydrophobicContact CD2-CB 4.22Å; L1376-I1394 PolarHBondContact N-O 3.45Å; L1376-F1395 HydrophobicContact CB-CD1 4.49Å; L1376-F1395 HydrophobicContact CB-CE1 4.04Å; L1376-F1395 HydrophobicContact CB-CZ 4.37Å; L1376-F1395 HydrophobicContact CD2-CE1 3.89Å; L1376-F1395 HydrophobicContact CD2-CZ 3.83Å; L1376-R1434 HydrophobicContact CD1-CG 4.34Å; L1376-R1437 HydrophobicContact CD1-CB 4.03Å; L1376-R1438 HydrophobicContact CD1-CB 4.15Å; L1376-R1438 HydrophobicContact CG-CB 4.31Å; L1376-R1438 WeakPolarHBondContact O-CD 3.37Å; L1376-R1438 VanDerWaalsContact O-CG 3.27Å; L1376-R1438 WeakPolarHBondContact O-CG 3.46Å; L1376-R1438 PolarHBondContact O-NE 3.06Å; L1376-Y1441 HydrophobicContact CD2-CD2 4.23Å; L1376-Y1441 HydrophobicContact CD2-CG 4.13Å
1377V89.4Confident80.5Confident37 Ų3773.3 Ų73.322%0.22440%0.397CS..THydrogen-bonded Turntrans-88.8-50.3-170.8-178.10000112.6C1375 F1395 C1399 R1438 Y1441C1375-V1377 PolarHBondContact O-N 3.27Å; C1375-V1377 PolarHBondContact SG-N 3.11Å; V1377-F1395 HydrophobicContact CG2-CD1 4.08Å; V1377-F1395 HydrophobicContact CG2-CE1 4.11Å; V1377-C1399 HydrophobicContact CB-CB 4.03Å; V1377-C1399 HydrophobicContact CG2-CB 4.43Å; V1377-C1399 WeakPolarHBondContact CG2-O 3.29Å; V1377-R1438 PolarHBondContact O-NE 2.95Å; V1377-R1438 PolarHBondContact O-NH2 3.12Å; V1377-Y1441 HydrophobicContact CG2-CD1 4.04Å; V1377-Y1441 HydrophobicContact CG2-CE1 4.01Å
1378C90Very high82.9Confident45 Ų4563.2 Ų63.230%0.30436%0.359SS..THydrogen-bonded Turntrans-97.4-17.1-179.366.60000114.1D1380 H1396C1378-D1380 PolarHBondContact O-N 3.07Å; C1378-D1380 PolarHBondContact SG-N 3.42Å; C1378-H1396 PolarHBondContact SG-CE1 2.83Å; C1378-H1396 PolarHBondContact SG-ND1 3.23Å
1379S84.9Confident84.5Confident41 Ų4157.6 Ų57.629%0.28733%0.333SS..  trans66.17-173.2-54.90000116.8S1374 C1375 R1434S1374-S1379 VanDerWaalsContact CB-O 3.24Å; S1374-S1379 WeakPolarHBondContact CB-O 3.47Å; S1374-S1379 PolarHBondContact OG-O 2.69Å; C1375-S1379 WeakPolarHBondContact O-CA 3.42Å; C1375-S1379 PolarHBondContact O-N 3.49Å; S1379-R1434 PolarHBondContact OG-NH1 3.48Å; S1379-R1434 PolarHBondContact OG-NH2 3.4Å
1380D82.1Confident85.4Confident94 Ų9458.1 Ų58.150%0.50334%0.336SS..  trans-81.6152.6167.9-65-41.6000111.6S1374 C1375 C1378 H1396S1374-D1380 WeakPolarHBondContact CB-O 3.44Å; C1375-D1380 WeakPolarHBondContact CB-O 3.45Å; C1375-D1380 PolarHBondContact N-O 3.18Å; C1378-D1380 PolarHBondContact O-N 3.07Å; C1378-D1380 PolarHBondContact SG-N 3.42Å; D1380-H1396 PolarHBondContact O-CE1 3.06Å
1381S81.2Confident86.2Confident78 Ų7849.8 Ų49.855%0.54531%0.305SS..  trans-110.83.3178.152.50000112.8T1373 I1385T1373-S1381 WeakPolarHBondContact O-CB 3.42Å; S1381-I1385 WeakPolarHBondContact O-CD1 3.1Å
1382T74Confident86.4Confident111 Ų11147.4 Ų47.468%0.68129%0.294SS*.  trans-103122.2-175.353.10000110.3H1396T1382-H1396 PolarHBondContact O-NE2 3.28Å; T1382-H1396 VanDerWaalsContact O-NE2 3.17Å
1383G79.3Confident86.8Confident57 Ų5745.9 Ų45.959%0.58829%0.286SS*.SBendtrans128.9-178.7179.100000112.3I1385G1383-I1385 WeakPolarHBondContact O-CG1 3.47Å; G1383-I1385 PolarHBondContact O-N 3.33Å
1384D81.7Confident87.1Confident111 Ų11140.5 Ų40.559%0.59425%0.253SS*.  trans-74.3119.4176.7-73.4-24.5000110.5H1396 L1397D1384-H1396 WeakPolarHBondContact O-CA 3.4Å; D1384-L1397 HydrophobicContact CB-CD1 3.75Å; D1384-L1397 HydrophobicContact CB-CG 4.09Å; D1384-L1397 PolarHBondContact O-N 2.92Å
1385I87.6Confident87.3Confident50 Ų5039.6 Ų39.626%0.25625%0.246SC..EExtended strand (participates in β ladder)trans-119.7140.3-168.6-72.1171.8000110.6S1381 G1383 I1394 F1395 H1396S1381-I1385 WeakPolarHBondContact O-CD1 3.1Å; G1383-I1385 WeakPolarHBondContact O-CG1 3.47Å; G1383-I1385 PolarHBondContact O-N 3.33Å; I1385-I1394 HydrophobicContact CB-CG2 4.35Å; I1385-I1394 HydrophobicContact CG2-CB 4.42Å; I1385-I1394 HydrophobicContact CG2-CG2 2.99Å; I1385-F1395 CarbonylContact C-O 3.58Å; I1385-F1395 WeakPolarHBondContact CA-O 3.47Å; I1385-H1396 WeakPolarHBondContact CG1-CD2 3.24Å
1386V89.1Confident87.3Confident9 Ų940.5 Ų40.56%0.05525%0.25CS..EExtended strand (participates in β ladder)trans-118.5139.2173.868.70000112F1395 L1404 P1408 W1413V1386-F1395 HydrophobicContact CG1-CB 4.11Å; V1386-F1395 PolarHBondContact N-O 3.32Å; V1386-F1395 PolarHBondContact O-N 3.47Å; V1386-L1404 HydrophobicContact CG1-CD1 3.84Å; V1386-P1408 HydrophobicContact CG2-CG 4.12Å; V1386-W1413 HydrophobicContact CB-CZ3 4.44Å; V1386-W1413 HydrophobicContact CG1-CE3 4.28Å; V1386-W1413 HydrophobicContact CG1-CH2 3.78Å; V1386-W1413 HydrophobicContact CG1-CZ2 4.3Å; V1386-W1413 HydrophobicContact CG1-CZ3 3.77Å; V1386-W1413 HydrophobicContact CG2-CD2 3.82Å; V1386-W1413 HydrophobicContact CG2-CE3 3.55Å; V1386-W1413 HydrophobicContact CG2-CG 4.33Å; V1386-W1413 HydrophobicContact CG2-CZ3 3.92Å
1387L88.9Confident87.1Confident89 Ų8941.5 Ų41.547%0.46626%0.255SS..EExtended strand (participates in β ladder)trans-103.4130.7-177.6-52.9177.3000110.9H1371 I1394H1371-L1387 HydrophobicContact CB-CD2 4.03Å; L1387-I1394 HydrophobicContact CD2-CD1 3.2Å; L1387-I1394 HydrophobicContact CD2-CG1 3.55Å; L1387-I1394 HydrophobicContact CD2-CG2 4.41Å
1388C90.9Very high86.9Confident0 Ų046.2 Ų46.20%028%0.279CS..  trans-79.7124.3175.5-179.30000111.8H1371 N1390 C1391 N1393 W1413 C1415 C1418H1371-C1388 PolarHBondContact NE2-O 3.47Å; C1388-N1390 PolarHBondContact O-N 3.48Å; C1388-C1391 PolarHBondContact SG-SG 2.95Å; C1388-N1393 PolarHBondContact N-O 2.95Å; C1388-W1413 CarbonylContact C-O 3.54Å; C1388-W1413 WeakPolarHBondContact CA-O 3.45Å; C1388-W1413 HydrophobicContact CB-CE3 4.46Å; C1388-W1413 HydrophobicContact CB-CZ3 4.1Å; C1388-C1415 HydrophobicContact CB-CB 4.18Å; C1388-C1415 PolarHBondContact SG-N 3.45Å; C1388-C1415 VanDerWaalsContact SG-SG 3.65Å; C1388-C1418 VanDerWaalsContact SG-SG 3.68Å
1389S85Confident86.9Confident45 Ų4545.4 Ų45.432%0.31527%0.274SS..THydrogen-bonded Turntrans-64.5-12.218059.60000115.3I1369 G1412 W1413 Q1414I1369-S1389 WeakPolarHBondContact CD1-O 3.5Å; S1389-G1412 PolarHBondContact OG-O 3.16Å; S1389-W1413 PolarHBondContact N-O 3.5Å; S1389-W1413 PolarHBondContact OG-O 3.17Å; S1389-Q1414 WeakPolarHBondContact OG-CG 3.43Å
1390N85.3Confident87.2Confident43 Ų4343.9 Ų43.923%0.2326%0.262CS..THydrogen-bonded Turntrans-124.1-0.5-171.6-73.778.5000114.1C1388 Q1414 C1418 T1426C1388-N1390 PolarHBondContact O-N 3.48Å; N1390-Q1414 HydrophobicContact CB-CG 4.44Å; N1390-Q1414 VanDerWaalsContact OD1-CG 3.31Å; N1390-Q1414 WeakPolarHBondContact OD1-CG 3.45Å; N1390-Q1414 PolarHBondContact OD1-NE2 3.13Å; N1390-C1418 HydrophobicContact CB-CB 4.03Å; N1390-T1426 VanDerWaalsContact O-CA 3.32Å; N1390-T1426 WeakPolarHBondContact O-CA 3.18Å; N1390-T1426 WeakPolarHBondContact O-CB 3.4Å; N1390-T1426 WeakPolarHBondContact O-CG2 3.49Å
1391C90.4Very high87.3Confident2 Ų242.1 Ų42.11%0.01425%0.253CS..SBendtrans-152.8163.7172.470.10000111H1371 C1388 N1393 S1429H1371-C1391 PolarHBondContact CD2-O 3.42Å; H1371-C1391 PolarHBondContact NE2-O 3.38Å; C1388-C1391 PolarHBondContact SG-SG 2.95Å; C1391-N1393 PolarHBondContact O-N 3.42Å; C1391-N1393 VanDerWaalsContact SG-CB 3.57Å; C1391-N1393 VanDerWaalsContact SG-CG 3.56Å; C1391-N1393 PolarHBondContact SG-ND2 3.35Å; C1391-N1393 VanDerWaalsContact SG-ND2 3.4Å; C1391-S1429 VanDerWaalsContact CB-OG 3.25Å; C1391-S1429 WeakPolarHBondContact CB-OG 3.45Å
1392P90.3Very high87.5Confident6 Ų642 Ų424%0.03925%0.251CS..SBendtrans-68-1.2-178.8-19.332.7000114.7I1369 R1370 H1371 D1372 Y1430I1369-P1392 HydrophobicContact CG2-CG 4.39Å; R1370-P1392 WeakPolarHBondContact O-CB 2.87Å; H1371-P1392 CarbonylContact C-O 3.54Å; H1371-P1392 WeakPolarHBondContact CA-O 3.43Å; D1372-P1392 PolarHBondContact N-O 3.15Å; P1392-Y1430 HydrophobicContact CG-CD2 3.92Å
1393N92.2Very high87.8Confident4 Ų440.2 Ų40.22%0.02124%0.241CC..  trans-72.5139.7-172.8-62.6-21.2000112L1376 C1388 C1391 F1395 R1437L1376-N1393 HydrophobicContact CD2-CB 4.22Å; C1388-N1393 PolarHBondContact N-O 2.95Å; C1391-N1393 PolarHBondContact O-N 3.42Å; C1391-N1393 VanDerWaalsContact SG-CB 3.57Å; C1391-N1393 VanDerWaalsContact SG-CG 3.56Å; C1391-N1393 PolarHBondContact SG-ND2 3.35Å; C1391-N1393 VanDerWaalsContact SG-ND2 3.4Å; N1393-F1395 HydrophobicContact CB-CE2 3.58Å; N1393-F1395 HydrophobicContact CB-CZ 3.81Å; N1393-R1437 WeakPolarHBondContact OD1-CD 3.33Å; N1393-R1437 PolarHBondContact OD1-NH1 2.91Å
1394I91.8Very high88Confident10 Ų1039 Ų395%0.05122%0.221CC..EExtended strand (participates in β ladder)trans-118.5143.2174.2-66.2-155.2000109H1371 D1372 C1375 L1376 I1385 L1387H1371-I1394 HydrophobicContact CB-CD1 3.77Å; H1371-I1394 HydrophobicContact CB-CG1 3.74Å; D1372-I1394 WeakPolarHBondContact O-CD1 3.39Å; C1375-I1394 CarbonylContact C-O 3.57Å; C1375-I1394 WeakPolarHBondContact CA-O 3.46Å; L1376-I1394 PolarHBondContact N-O 3.45Å; I1385-I1394 HydrophobicContact CB-CG2 4.35Å; I1385-I1394 HydrophobicContact CG2-CB 4.42Å; I1385-I1394 HydrophobicContact CG2-CG2 2.99Å; L1387-I1394 HydrophobicContact CD2-CD1 3.2Å; L1387-I1394 HydrophobicContact CD2-CG1 3.55Å; L1387-I1394 HydrophobicContact CD2-CG2 4.41Å
1395F92.9Very high87.8Confident0 Ų042.4 Ų42.40%023%0.232CC..EExtended strand (participates in β ladder)trans-132.7143.7175.1-57.5-90.5000110.7L1376 V1377 I1385 V1386 N1393 H1400 W1413 C1415 Y1441L1376-F1395 HydrophobicContact CB-CD1 4.49Å; L1376-F1395 HydrophobicContact CB-CE1 4.04Å; L1376-F1395 HydrophobicContact CB-CZ 4.37Å; L1376-F1395 HydrophobicContact CD2-CE1 3.89Å; L1376-F1395 HydrophobicContact CD2-CZ 3.83Å; V1377-F1395 HydrophobicContact CG2-CD1 4.08Å; V1377-F1395 HydrophobicContact CG2-CE1 4.11Å; I1385-F1395 CarbonylContact C-O 3.58Å; I1385-F1395 WeakPolarHBondContact CA-O 3.47Å; V1386-F1395 HydrophobicContact CG1-CB 4.11Å; V1386-F1395 PolarHBondContact N-O 3.32Å; V1386-F1395 PolarHBondContact O-N 3.47Å; N1393-F1395 HydrophobicContact CB-CE2 3.58Å; N1393-F1395 HydrophobicContact CB-CZ 3.81Å; F1395-H1400 HydrophobicContact CB-CB 4Å; F1395-H1400 HydrophobicContact CD1-CB 4.42Å; F1395-H1400 HydrophobicContact CG-CB 4.24Å; F1395-W1413 AromaticContact CD2-CH2 3.96Å; F1395-W1413 HydrophobicContact CD2-CH2 3.96Å; F1395-W1413 HydrophobicContact CD2-CZ3 4.26Å; F1395-W1413 HydrophobicContact CE2-CH2 4.47Å; F1395-C1415 HydrophobicContact CD2-CB 4.29Å; F1395-C1415 HydrophobicContact CE2-CB 3.52Å; F1395-C1415 HydrophobicContact CZ-CB 4.11Å; F1395-Y1441 HydrophobicContact CD1-CE2 4.5Å; F1395-Y1441 HydrophobicContact CE1-CD1 4.29Å; F1395-Y1441 AromaticContact CE1-CD2 3.83Å; F1395-Y1441 HydrophobicContact CE1-CD2 3.83Å; F1395-Y1441 AromaticContact CE1-CE1 3.89Å; F1395-Y1441 HydrophobicContact CE1-CE1 3.89Å; F1395-Y1441 AromaticContact CE1-CE2 3.43Å; F1395-Y1441 HydrophobicContact CE1-CE2 3.43Å; F1395-Y1441 VanDerWaalsContact CE1-CE2 3.43Å; F1395-Y1441 HydrophobicContact CE1-CG 4.28Å; F1395-Y1441 AromaticContact CE1-CZ 3.46Å; F1395-Y1441 VanDerWaalsContact CE1-CZ 3.46Å; F1395-Y1441 AromaticContact CZ-CD2 3.8Å; F1395-Y1441 HydrophobicContact CZ-CD2 3.8Å; F1395-Y1441 AromaticContact CZ-CE2 3.47Å; F1395-Y1441 HydrophobicContact CZ-CE2 3.47Å; F1395-Y1441 VanDerWaalsContact CZ-CE2 3.47Å; F1395-Y1441 AromaticContact CZ-CZ 3.99Å
1396H94Very high87.3Confident19 Ų1946.2 Ų46.29%0.08825%0.249CC..EExtended strand (participates in β ladder)trans-66.4153.5153.1-61.9119.1000109.1C1375 C1378 D1380 T1382 D1384 I1385 D1398 C1399 H1400C1375-H1396 WeakPolarHBondContact CB-ND1 3.46Å; C1375-H1396 PolarHBondContact SG-N 2.98Å; C1375-H1396 VanDerWaalsContact SG-N 3.43Å; C1378-H1396 PolarHBondContact SG-CE1 2.83Å; C1378-H1396 PolarHBondContact SG-ND1 3.23Å; D1380-H1396 PolarHBondContact O-CE1 3.06Å; T1382-H1396 PolarHBondContact O-NE2 3.28Å; T1382-H1396 VanDerWaalsContact O-NE2 3.17Å; D1384-H1396 WeakPolarHBondContact O-CA 3.4Å; I1385-H1396 WeakPolarHBondContact CG1-CD2 3.24Å; H1396-D1398 PolarHBondContact O-N 3.1Å; H1396-C1399 HydrophobicContact CB-CB 3.86Å; H1396-C1399 PolarHBondContact O-N 3.3Å; H1396-H1400 PolarHBondContact O-N 3.32Å
1397L87.8Confident86.7Confident20 Ų2050.1 Ų50.111%0.10527%0.269CS..G310 helixtrans-48.4-45.4173.5-71-176.2000112.2D1384 L1404 I1407D1384-L1397 HydrophobicContact CB-CD1 3.75Å; D1384-L1397 HydrophobicContact CB-CG 4.09Å; D1384-L1397 PolarHBondContact O-N 2.92Å; L1397-L1404 HydrophobicContact CB-CB 4.5Å; L1397-L1404 VanDerWaalsContact CB-O 3.31Å; L1397-L1404 WeakPolarHBondContact CB-O 3.35Å; L1397-L1404 HydrophobicContact CD2-CB 3.8Å; L1397-L1404 HydrophobicContact CD2-CD1 4.36Å; L1397-L1404 PolarHBondContact O-N 2.91Å; L1397-I1407 HydrophobicContact CD1-CG1 4.11Å; L1397-I1407 HydrophobicContact CD2-CG1 4.13Å
1398D85Confident85.8Confident136 Ų13647.4 Ų47.473%0.72726%0.256SS*.G310 helixtrans-79.3-18179-56.5-35000114.3H1396H1396-D1398 PolarHBondContact O-N 3.1Å
1399C91.5Very high84.3Confident29 Ų2958.5 Ų58.520%0.19630%0.298CS..G310 helixtrans-88.4-13-178.1-76.70000113.3C1375 V1377 H1396C1375-C1399 WeakPolarHBondContact SG-CB 3.3Å; V1377-C1399 HydrophobicContact CB-CB 4.03Å; V1377-C1399 HydrophobicContact CG2-CB 4.43Å; V1377-C1399 WeakPolarHBondContact CG2-O 3.29Å; H1396-C1399 HydrophobicContact CB-CB 3.86Å; H1396-C1399 PolarHBondContact O-N 3.3Å
1400H90.3Very high82.6Confident8 Ų858.9 Ų58.94%0.03731%0.309CS..SBendtrans-80.5147.7173.7-175.5-92.2000110.2F1395 H1396 P1402 P1403 L1404 W1413 S1416 Y1441F1395-H1400 HydrophobicContact CB-CB 4Å; F1395-H1400 HydrophobicContact CD1-CB 4.42Å; F1395-H1400 HydrophobicContact CG-CB 4.24Å; H1396-H1400 PolarHBondContact O-N 3.32Å; H1400-P1402 CarbonylContact C-O 3.59Å; H1400-P1402 PolarHBondContact ND1-O 3.45Å; H1400-P1402 CarbonylContact O-C 3.52Å; H1400-P1403 WeakPolarHBondContact O-CA 3.45Å; H1400-L1404 HydrophobicContact CB-CD1 4.12Å; H1400-L1404 HydrophobicContact CB-CG 4.18Å; H1400-W1413 AromaticContact CD2-CH2 3.49Å; H1400-W1413 VanDerWaalsContact CD2-CH2 3.49Å; H1400-W1413 WeakPolarHBondContact CD2-CH2 3.47Å; H1400-W1413 AromaticContact CD2-CZ2 3.57Å; H1400-W1413 AromaticContact CE1-CZ2 3.88Å; H1400-W1413 AromaticContact NE2-CH2 3.73Å; H1400-W1413 AromaticContact NE2-CZ2 3.46Å; H1400-W1413 WeakPolarHBondContact NE2-CZ2 3.44Å; H1400-S1416 PolarHBondContact CE1-OG 3.31Å; H1400-S1416 PolarHBondContact NE2-N 2.84Å; H1400-S1416 PolarHBondContact NE2-OG 2.81Å; H1400-Y1441 PolarHBondContact CD2-OH 3.14Å
1401D83.3Confident81.2Confident58 Ų5868.7 Ų68.731%0.3134%0.344SS..SBendtrans-113.5117.7173.4-171.91.2000111.2S1416 Y1441 F1445D1401-S1416 PolarHBondContact O-OG 2.88Å; D1401-Y1441 PolarHBondContact N-OH 3.22Å; D1401-F1445 HydrophobicContact CB-CB 4.43Å; D1401-F1445 HydrophobicContact CB-CD1 3.89Å; D1401-F1445 HydrophobicContact CB-CD2 4.28Å; D1401-F1445 HydrophobicContact CB-CE1 4.33Å; D1401-F1445 HydrophobicContact CB-CG 3.91Å; D1401-F1445 WeakPolarHBondContact OD2-CB 3.5Å; D1401-F1445 WeakPolarHBondContact OD2-CD1 3.42Å; D1401-F1445 VanDerWaalsContact OD2-CG 3.25Å; D1401-F1445 WeakPolarHBondContact OD2-CG 3.38Å
1402P85.5Confident80.6Confident76 Ų7670.8 Ų70.849%0.49437%0.366SS..SBendcis-69.2155.3-528.7-34.4000112.3H1400H1400-P1402 CarbonylContact C-O 3.59Å; H1400-P1402 PolarHBondContact ND1-O 3.45Å; H1400-P1402 CarbonylContact O-C 3.52Å
1403P82Confident80.4Confident72 Ų7272.7 Ų72.747%0.46837%0.373SS..  trans-55.4137.7176-26.534.9000111.7H1400H1400-P1403 WeakPolarHBondContact O-CA 3.45Å
1404L82.3Confident80.2Confident33 Ų3375.9 Ų75.917%0.17339%0.387CS..  trans-95.5114.6-177.2-63.5171.3000109.6V1386 L1397 H1400 H1406 P1408 W1413V1386-L1404 HydrophobicContact CG1-CD1 3.84Å; L1397-L1404 HydrophobicContact CB-CB 4.5Å; L1397-L1404 VanDerWaalsContact CB-O 3.31Å; L1397-L1404 WeakPolarHBondContact CB-O 3.35Å; L1397-L1404 HydrophobicContact CD2-CB 3.8Å; L1397-L1404 HydrophobicContact CD2-CD1 4.36Å; L1397-L1404 PolarHBondContact O-N 2.91Å; H1400-L1404 HydrophobicContact CB-CD1 4.12Å; H1400-L1404 HydrophobicContact CB-CG 4.18Å; L1404-H1406 PolarHBondContact O-N 3.42Å; L1404-P1408 HydrophobicContact CD1-CG 4.24Å; L1404-W1413 HydrophobicContact CD1-CH2 4.34Å; L1404-W1413 HydrophobicContact CD1-CZ2 3.64Å
1405H77.7Confident80.2Confident181 Ų18175.4 Ų75.484%0.83839%0.385SS*.SBendtrans-69-16.6178.7-64.5-62.9000114.6
1406H76.5Confident79.8Confident130 Ų13076.7 Ų76.760%0.60239%0.394SS*.SBendtrans-152.1153.8-179.355.7-84.6000110.8L1404 P1408L1404-H1406 PolarHBondContact O-N 3.42Å; H1406-P1408 VanDerWaalsContact O-CD 3.3Å; H1406-P1408 WeakPolarHBondContact O-CD 3.49Å
1407I76.1Confident79.4Confident92 Ų9277 Ų7747%0.47240%0.396SS..  trans-61.3120.3172.9-58.6173.4000108.6L1397 R1409L1397-I1407 HydrophobicContact CD1-CG1 4.11Å; L1397-I1407 HydrophobicContact CD2-CG1 4.13Å; I1407-R1409 PolarHBondContact O-N 3.42Å
1408P71.2Confident79.3Confident31 Ų3176.3 Ų76.320%0.20139%0.393CS..  trans-59127.6-179.8-23.333.2000111.7V1386 L1404 H1406 G1410 W1413V1386-P1408 HydrophobicContact CG2-CG 4.12Å; L1404-P1408 HydrophobicContact CD1-CG 4.24Å; H1406-P1408 VanDerWaalsContact O-CD 3.3Å; H1406-P1408 WeakPolarHBondContact O-CD 3.49Å; P1408-G1410 PolarHBondContact O-N 3.47Å; P1408-W1413 HydrophobicContact CB-CB 3.92Å; P1408-W1413 VanDerWaalsContact CB-CD1 3.44Å; P1408-W1413 HydrophobicContact CB-CG 3.77Å; P1408-W1413 HydrophobicContact CG-CB 4.26Å; P1408-W1413 HydrophobicContact CG-CD2 4.19Å; P1408-W1413 HydrophobicContact CG-CG 3.65Å
1409R58.9Low79.1Confident234 Ų23478.6 Ų78.688%0.88339%0.391SS*.  trans-84111.8-177.4-66.2-176.5178.8-172.8-1.1111.3I1407I1407-R1409 PolarHBondContact O-N 3.42Å
1410G49.4Very low78.3Confident52 Ų5281 Ų8154%0.53641%0.409SS..SBendtrans135147.8172.300000113.3P1408 G1412P1408-G1410 PolarHBondContact O-N 3.47Å; G1410-G1412 PolarHBondContact O-N 2.66Å; G1410-G1412 VanDerWaalsContact O-N 3.15Å
1411Y57.2Low77.1Confident250 Ų25085.3 Ų85.398%0.9843%0.432SS*.THydrogen-bonded Turntrans-70.7104.3171.4-65.1-80.8000108.2
1412G76.2Confident75.7Confident46 Ų4691.9 Ų91.947%0.47446%0.457SS..THydrogen-bonded Turntrans140.515.8178.500000117.1S1389 G1410 Q1414S1389-G1412 PolarHBondContact OG-O 3.16Å; G1410-G1412 PolarHBondContact O-N 2.66Å; G1410-G1412 VanDerWaalsContact O-N 3.15Å; G1412-Q1414 PolarHBondContact O-N 3Å
1413W87.2Confident74Confident45 Ų4598.1 Ų98.117%0.1748%0.477CS..  trans-65.3131.6173.6178.284.4000111.3V1386 C1388 S1389 F1395 H1400 L1404 P1408 C1415V1386-W1413 HydrophobicContact CB-CZ3 4.44Å; V1386-W1413 HydrophobicContact CG1-CE3 4.28Å; V1386-W1413 HydrophobicContact CG1-CH2 3.78Å; V1386-W1413 HydrophobicContact CG1-CZ2 4.3Å; V1386-W1413 HydrophobicContact CG1-CZ3 3.77Å; V1386-W1413 HydrophobicContact CG2-CD2 3.82Å; V1386-W1413 HydrophobicContact CG2-CE3 3.55Å; V1386-W1413 HydrophobicContact CG2-CG 4.33Å; V1386-W1413 HydrophobicContact CG2-CZ3 3.92Å; C1388-W1413 CarbonylContact C-O 3.54Å; C1388-W1413 WeakPolarHBondContact CA-O 3.45Å; C1388-W1413 HydrophobicContact CB-CE3 4.46Å; C1388-W1413 HydrophobicContact CB-CZ3 4.1Å; S1389-W1413 PolarHBondContact N-O 3.5Å; S1389-W1413 PolarHBondContact OG-O 3.17Å; F1395-W1413 AromaticContact CD2-CH2 3.96Å; F1395-W1413 HydrophobicContact CD2-CH2 3.96Å; F1395-W1413 HydrophobicContact CD2-CZ3 4.26Å; F1395-W1413 HydrophobicContact CE2-CH2 4.47Å; H1400-W1413 AromaticContact CD2-CH2 3.49Å; H1400-W1413 VanDerWaalsContact CD2-CH2 3.49Å; H1400-W1413 WeakPolarHBondContact CD2-CH2 3.47Å; H1400-W1413 AromaticContact CD2-CZ2 3.57Å; H1400-W1413 AromaticContact CE1-CZ2 3.88Å; H1400-W1413 AromaticContact NE2-CH2 3.73Å; H1400-W1413 AromaticContact NE2-CZ2 3.46Å; H1400-W1413 WeakPolarHBondContact NE2-CZ2 3.44Å; L1404-W1413 HydrophobicContact CD1-CH2 4.34Å; L1404-W1413 HydrophobicContact CD1-CZ2 3.64Å; P1408-W1413 HydrophobicContact CB-CB 3.92Å; P1408-W1413 VanDerWaalsContact CB-CD1 3.44Å; P1408-W1413 HydrophobicContact CB-CG 3.77Å; P1408-W1413 HydrophobicContact CG-CB 4.26Å; P1408-W1413 HydrophobicContact CG-CD2 4.19Å; P1408-W1413 HydrophobicContact CG-CG 3.65Å; W1413-C1415 HydrophobicContact CH2-CB 3.73Å; W1413-C1415 HydrophobicContact CZ2-CB 4.44Å; W1413-C1415 HydrophobicContact CZ3-CB 4.05Å
1414Q88.1Confident72.3Confident71 Ų71104.5 Ų104.533%0.33249%0.492SS..  trans-113.4134.2178.7-67.1177-6.100110.3S1389 N1390 G1412 C1418 R1419S1389-Q1414 WeakPolarHBondContact OG-CG 3.43Å; N1390-Q1414 HydrophobicContact CB-CG 4.44Å; N1390-Q1414 VanDerWaalsContact OD1-CG 3.31Å; N1390-Q1414 WeakPolarHBondContact OD1-CG 3.45Å; N1390-Q1414 PolarHBondContact OD1-NE2 3.13Å; G1412-Q1414 PolarHBondContact O-N 3Å; Q1414-C1418 HydrophobicContact CB-CB 4.19Å; Q1414-R1419 HydrophobicContact CB-CB 4.48Å
1415C90.6Very high70.9Confident0 Ų0103.7 Ų103.70%049%0.489CS..  trans-65.4159.9173720000111.7C1388 F1395 W1413 I1417 C1418 R1419C1388-C1415 HydrophobicContact CB-CB 4.18Å; C1388-C1415 PolarHBondContact SG-N 3.45Å; C1388-C1415 VanDerWaalsContact SG-SG 3.65Å; F1395-C1415 HydrophobicContact CD2-CB 4.29Å; F1395-C1415 HydrophobicContact CE2-CB 3.52Å; F1395-C1415 HydrophobicContact CZ-CB 4.11Å; W1413-C1415 HydrophobicContact CH2-CB 3.73Å; W1413-C1415 HydrophobicContact CZ2-CB 4.44Å; W1413-C1415 HydrophobicContact CZ3-CB 4.05Å; C1415-I1417 PolarHBondContact O-N 2.74Å; C1415-C1418 PolarHBondContact O-N 3.32Å; C1415-R1419 WeakPolarHBondContact O-CB 3.32Å; C1415-R1419 PolarHBondContact O-N 2.97Å
1416S85.4Confident69.8Low27 Ų2797.3 Ų97.319%0.18946%0.463CS..Hα-helixtrans-55.5-26.2-176.7-62.90000115.1H1400 D1401 S1420H1400-S1416 PolarHBondContact CE1-OG 3.31Å; H1400-S1416 PolarHBondContact NE2-N 2.84Å; H1400-S1416 PolarHBondContact NE2-OG 2.81Å; D1401-S1416 PolarHBondContact O-OG 2.88Å; S1416-S1420 WeakPolarHBondContact O-CB 3.35Å; S1416-S1420 PolarHBondContact O-N 3.44Å; S1416-S1420 PolarHBondContact O-OG 2.89Å
1417I84.3Confident68.7Low27 Ų2797.3 Ų97.314%0.13847%0.466CS..Hα-helixtrans-72.4-47.3173-61.1-175.6000111.6C1415 R1419 S1420 N1421 Y1441 I1444 F1445C1415-I1417 PolarHBondContact O-N 2.74Å; I1417-R1419 VanDerWaalsContact C-N 3.27Å; I1417-R1419 PolarHBondContact O-N 2.81Å; I1417-S1420 PolarHBondContact O-N 3.42Å; I1417-S1420 PolarHBondContact O-OG 2.91Å; I1417-S1420 VanDerWaalsContact O-OG 3.04Å; I1417-N1421 PolarHBondContact O-N 2.84Å; I1417-Y1441 HydrophobicContact CD1-CD2 3.46Å; I1417-Y1441 VanDerWaalsContact CD1-CD2 3.46Å; I1417-Y1441 HydrophobicContact CD1-CE2 4.38Å; I1417-Y1441 HydrophobicContact CD1-CG 4.15Å; I1417-Y1441 HydrophobicContact CG1-CD2 3.77Å; I1417-Y1441 HydrophobicContact CG1-CE2 4.23Å; I1417-I1444 HydrophobicContact CD1-CD1 4.02Å; I1417-I1444 HydrophobicContact CG1-CD1 4.01Å; I1417-F1445 HydrophobicContact CG1-CE2 4.49Å
1418C86.4Confident68Low4 Ų496.3 Ų96.33%0.02746%0.464CS..Hα-helixtrans-67.9-34.7-179.3-68.80000111C1388 N1390 Q1414 C1415C1388-C1418 VanDerWaalsContact SG-SG 3.68Å; N1390-C1418 HydrophobicContact CB-CB 4.03Å; Q1414-C1418 HydrophobicContact CB-CB 4.19Å; C1415-C1418 PolarHBondContact O-N 3.32Å
1419R82.2Confident67.5Low185 Ų18595.5 Ų95.570%0.69846%0.459SS*.Hα-helixtrans-69.1-33.2179-156.4175.5-177.3-154.1-1112.9Q1414 C1415 I1417Q1414-R1419 HydrophobicContact CB-CB 4.48Å; C1415-R1419 WeakPolarHBondContact O-CB 3.32Å; C1415-R1419 PolarHBondContact O-N 2.97Å; I1417-R1419 VanDerWaalsContact C-N 3.27Å; I1417-R1419 PolarHBondContact O-N 2.81Å
1420S74Confident67.9Low80 Ų8090.4 Ų90.456%0.55944%0.441SS*.Hα-helixtrans-81.2-33.9178.658.50000113.4S1416 I1417S1416-S1420 WeakPolarHBondContact O-CB 3.35Å; S1416-S1420 PolarHBondContact O-N 3.44Å; S1416-S1420 PolarHBondContact O-OG 2.89Å; I1417-S1420 PolarHBondContact O-N 3.42Å; I1417-S1420 PolarHBondContact O-OG 2.91Å; I1417-S1420 VanDerWaalsContact O-OG 3.04Å
1421N64.4Low68.8Low98 Ų9895.2 Ų95.252%0.52445%0.447SS..  trans-107.978.7-179.3-94.8-30.4000112.3I1417 K1423 S1425I1417-N1421 PolarHBondContact O-N 2.84Å; N1421-K1423 PolarHBondContact O-N 2.87Å; N1421-K1423 VanDerWaalsContact O-N 3.17Å; N1421-S1425 PolarHBondContact O-OG 3.26Å
1422K54.6Low69.9Low195 Ų19585.8 Ų85.885%0.84841%0.412SS*.THydrogen-bonded Turntrans-59.7-23.1-177.5-71.5-173.7178.3-179.40115.1
1423K50.2Low70.2Confident208 Ų20887.1 Ų87.190%0.90441%0.414SS*.THydrogen-bonded Turntrans-109.6-8.7-171.6-64.5-168.9177.9-172.70116.5N1421N1421-K1423 PolarHBondContact O-N 2.87Å; N1421-K1423 VanDerWaalsContact O-N 3.17Å
1424R45.3Very low70.2Confident205 Ų20588.4 Ų88.477%0.77442%0.419SS*.THydrogen-bonded Turntrans-141.2-5.1-170.3-81.1-176.4178170.1-0.7117.6T1428R1424-T1428 PolarHBondContact O-OG1 2.94Å
1425S52.8Low70.1Confident17 Ų1790.8 Ų90.812%0.11943%0.43CS..Hα-helixtrans-78.2-33.5-16556.70000115.5N1421 S1429N1421-S1425 PolarHBondContact O-OG 3.26Å; S1425-S1429 VanDerWaalsContact O-CB 3.3Å; S1425-S1429 WeakPolarHBondContact O-CB 3.19Å; S1425-S1429 PolarHBondContact O-N 2.97Å; S1425-S1429 PolarHBondContact O-OG 3.04Å
1426T54.1Low70Confident47 Ų4796.6 Ų96.629%0.28845%0.453SS..Hα-helixtrans-70-49.7-170.4-37.70000112.8I1369 N1390 S1429I1369-T1426 HydrophobicContact CD1-CG2 4.15Å; N1390-T1426 VanDerWaalsContact O-CA 3.32Å; N1390-T1426 WeakPolarHBondContact O-CA 3.18Å; N1390-T1426 WeakPolarHBondContact O-CB 3.4Å; N1390-T1426 WeakPolarHBondContact O-CG2 3.49Å; T1426-S1429 PolarHBondContact O-OG 3.45Å
1427I53.6Low70.3Confident130 Ų13096.2 Ų96.267%0.66745%0.447SS*.Hα-helixtrans-69.2-48.5-178.6-72.6174.7000110.4S1429 Y1430 F1431I1427-S1429 PolarHBondContact O-N 3.42Å; I1427-Y1430 PolarHBondContact O-N 3.41Å; I1427-F1431 HydrophobicContact CG2-CD2 4.37Å; I1427-F1431 HydrophobicContact CG2-CE2 4.03Å; I1427-F1431 WeakPolarHBondContact O-CD2 3.41Å
1428T61.2Low70.6Confident71 Ų7199 Ų9944%0.43646%0.456SS..Hα-helixtrans-67-38.9-173-29.80000112.9R1424 Y1430 Q1432R1424-T1428 PolarHBondContact O-OG1 2.94Å; T1428-Y1430 VanDerWaalsContact C-N 3.32Å; T1428-Y1430 PolarHBondContact O-N 3.34Å; T1428-Q1432 VanDerWaalsContact O-CG 3.26Å; T1428-Q1432 WeakPolarHBondContact O-CG 3.32Å
1429S62.2Low70.6Confident14 Ų14104.3 Ų104.310%0.09848%0.479CS..Hα-helixtrans-70.8-27.8179.963.80000112.9C1391 S1425 T1426 I1427 F1431 Q1432 R1437C1391-S1429 VanDerWaalsContact CB-OG 3.25Å; C1391-S1429 WeakPolarHBondContact CB-OG 3.45Å; S1425-S1429 VanDerWaalsContact O-CB 3.3Å; S1425-S1429 WeakPolarHBondContact O-CB 3.19Å; S1425-S1429 PolarHBondContact O-N 2.97Å; S1425-S1429 PolarHBondContact O-OG 3.04Å; T1426-S1429 PolarHBondContact O-OG 3.45Å; I1427-S1429 PolarHBondContact O-N 3.42Å; S1429-F1431 VanDerWaalsContact C-N 3.31Å; S1429-F1431 PolarHBondContact O-N 3.36Å; S1429-Q1432 PolarHBondContact O-N 3.05Å; S1429-R1437 VanDerWaalsContact O-CD 3.26Å; S1429-R1437 WeakPolarHBondContact O-CD 3.3Å
1430Y67.1Low70.8Confident127 Ų12797.6 Ų97.650%0.49846%0.458SS..Hα-helixtrans-63.6-35.9178.8-169.8-96.2000112.6P1392 I1427 T1428P1392-Y1430 HydrophobicContact CG-CD2 3.92Å; I1427-Y1430 PolarHBondContact O-N 3.41Å; T1428-Y1430 VanDerWaalsContact C-N 3.32Å; T1428-Y1430 PolarHBondContact O-N 3.34Å
1431F68.7Low71.4Confident153 Ų15394.2 Ų94.267%0.67143%0.433SS*.Hα-helixtrans-89.5-7.3-178.8-62.8-72.6000114.4I1427 S1429I1427-F1431 HydrophobicContact CG2-CD2 4.37Å; I1427-F1431 HydrophobicContact CG2-CE2 4.03Å; I1427-F1431 WeakPolarHBondContact O-CD2 3.41Å; S1429-F1431 VanDerWaalsContact C-N 3.31Å; S1429-F1431 PolarHBondContact O-N 3.36Å
1432Q79.3Confident72.4Confident51 Ų5193.2 Ų93.224%0.23843%0.426CS..SBendtrans-84.1138.5-179.8-74.9167.13.300111.5T1428 S1429 Y1436 R1437T1428-Q1432 VanDerWaalsContact O-CG 3.26Å; T1428-Q1432 WeakPolarHBondContact O-CG 3.32Å; S1429-Q1432 PolarHBondContact O-N 3.05Å; Q1432-Y1436 HydrophobicContact CB-CD1 3.77Å; Q1432-Y1436 HydrophobicContact CB-CE1 4.49Å; Q1432-Y1436 HydrophobicContact CB-CG 4.47Å; Q1432-Y1436 VanDerWaalsContact CD-CD1 3.41Å; Q1432-Y1436 HydrophobicContact CG-CD1 3.58Å; Q1432-Y1436 HydrophobicContact CG-CE1 3.83Å; Q1432-Y1436 HydrophobicContact CG-CG 4.47Å; Q1432-R1437 HydrophobicContact CB-CG 3.81Å; Q1432-R1437 PolarHBondContact O-NE 2.77Å
1433S82.9Confident73.6Confident74 Ų7486.6 Ų86.652%0.51741%0.407SS..  trans-56.5146.2173.674.30000110.4E1435 Y1436 R1437S1433-E1435 PolarHBondContact O-N 2.89Å; S1433-Y1436 WeakPolarHBondContact O-CB 3.31Å; S1433-Y1436 PolarHBondContact O-N 3.39Å; S1433-Y1436 WeakPolarHBondContact OG-CB 3.46Å; S1433-Y1436 PolarHBondContact OG-N 2.87Å; S1433-Y1436 VanDerWaalsContact OG-N 3.17Å; S1433-R1437 PolarHBondContact O-N 3.34Å
1434R87.9Confident74.9Confident72 Ų7280.2 Ų80.227%0.27238%0.382SS..Hα-helixtrans-55.3-36179.2-173.8176.8177.3-88.8-3.1111.7S1374 C1375 L1376 S1379 R1437 R1438S1374-R1434 PolarHBondContact O-NH2 3.46Å; S1374-R1434 PolarHBondContact OG-NH2 3.07Å; S1374-R1434 VanDerWaalsContact OG-NH2 3.09Å; C1375-R1434 PolarHBondContact O-NH2 3.1Å; L1376-R1434 HydrophobicContact CD1-CG 4.34Å; S1379-R1434 PolarHBondContact OG-NH1 3.48Å; S1379-R1434 PolarHBondContact OG-NH2 3.4Å; R1434-R1437 PolarHBondContact O-N 2.84Å; R1434-R1438 WeakPolarHBondContact O-CB 3.4Å; R1434-R1438 PolarHBondContact O-N 2.8Å
1435E85.3Confident76.2Confident122 Ų12271.5 Ų71.557%0.5735%0.35SS*.Hα-helixtrans-66.4-42.8175.9-164.1-174.7157.100112.5S1433 R1438 K1439S1433-E1435 PolarHBondContact O-N 2.89Å; E1435-R1438 PolarHBondContact O-N 3.02Å; E1435-K1439 WeakPolarHBondContact O-CG 3.29Å; E1435-K1439 PolarHBondContact O-N 2.85Å; E1435-K1439 VanDerWaalsContact OE1-CE 3.27Å; E1435-K1439 WeakPolarHBondContact OE1-CE 3.04Å; E1435-K1439 IonicContact OE1-NZ 3.02Å; E1435-K1439 PolarHBondContact OE1-NZ 2.94Å
1436Y88.3Confident76.7Confident121 Ų12178.5 Ų78.548%0.47538%0.378SS..Hα-helixtrans-60.8-48.8173.9-176.4-86.8000110.7Q1432 S1433 R1438 K1439 T1440Q1432-Y1436 HydrophobicContact CB-CD1 3.77Å; Q1432-Y1436 HydrophobicContact CB-CE1 4.49Å; Q1432-Y1436 HydrophobicContact CB-CG 4.47Å; Q1432-Y1436 VanDerWaalsContact CD-CD1 3.41Å; Q1432-Y1436 HydrophobicContact CG-CD1 3.58Å; Q1432-Y1436 HydrophobicContact CG-CE1 3.83Å; Q1432-Y1436 HydrophobicContact CG-CG 4.47Å; S1433-Y1436 WeakPolarHBondContact O-CB 3.31Å; S1433-Y1436 PolarHBondContact O-N 3.39Å; S1433-Y1436 WeakPolarHBondContact OG-CB 3.46Å; S1433-Y1436 PolarHBondContact OG-N 2.87Å; S1433-Y1436 VanDerWaalsContact OG-N 3.17Å; Y1436-R1438 VanDerWaalsContact C-N 3.3Å; Y1436-R1438 PolarHBondContact O-N 2.88Å; Y1436-K1439 PolarHBondContact O-N 3.09Å; Y1436-T1440 WeakPolarHBondContact CE1-OG1 3.31Å; Y1436-T1440 PolarHBondContact O-N 3.42Å; Y1436-T1440 PolarHBondContact O-OG1 3.05Å
1437R91.9Very high76.5Confident19 Ų1984.9 Ų84.97%0.07240%0.402CS..Hα-helixtrans-56.2-41.7176.8-70.1-169.6-85.6136.4-2.1112.5D1372 L1376 N1393 S1429 Q1432 S1433 R1434 Y1441D1372-R1437 IonicContact OD1-NH1 3.06Å; D1372-R1437 IonicContact OD1-NH2 3.54Å; D1372-R1437 PolarHBondContact OD1-NH2 3.13Å; D1372-R1437 VanDerWaalsContact OD1-NH2 3.07Å; D1372-R1437 IonicContact OD2-CZ 3.16Å; D1372-R1437 IonicContact OD2-NH1 3.7Å; D1372-R1437 PolarHBondContact OD2-NH1 3.14Å; D1372-R1437 IonicContact OD2-NH2 3.79Å; D1372-R1437 PolarHBondContact OD2-NH2 2.8Å; L1376-R1437 HydrophobicContact CD1-CB 4.03Å; N1393-R1437 WeakPolarHBondContact OD1-CD 3.33Å; N1393-R1437 PolarHBondContact OD1-NH1 2.91Å; S1429-R1437 VanDerWaalsContact O-CD 3.26Å; S1429-R1437 WeakPolarHBondContact O-CD 3.3Å; Q1432-R1437 HydrophobicContact CB-CG 3.81Å; Q1432-R1437 PolarHBondContact O-NE 2.77Å; S1433-R1437 PolarHBondContact O-N 3.34Å; R1434-R1437 PolarHBondContact O-N 2.84Å; R1437-Y1441 WeakPolarHBondContact O-CB 3.03Å; R1437-Y1441 PolarHBondContact O-N 3.01Å
1438R90.4Very high76Confident86 Ų8687.9 Ų87.933%0.32541%0.405SS..Hα-helixtrans-64.7-47.1176.5-175.4178-172.7-166.80.9111.8L1376 V1377 R1434 E1435 Y1436 Y1441 Q1442L1376-R1438 HydrophobicContact CD1-CB 4.15Å; L1376-R1438 HydrophobicContact CG-CB 4.31Å; L1376-R1438 WeakPolarHBondContact O-CD 3.37Å; L1376-R1438 VanDerWaalsContact O-CG 3.27Å; L1376-R1438 WeakPolarHBondContact O-CG 3.46Å; L1376-R1438 PolarHBondContact O-NE 3.06Å; V1377-R1438 PolarHBondContact O-NE 2.95Å; V1377-R1438 PolarHBondContact O-NH2 3.12Å; R1434-R1438 WeakPolarHBondContact O-CB 3.4Å; R1434-R1438 PolarHBondContact O-N 2.8Å; E1435-R1438 PolarHBondContact O-N 3.02Å; Y1436-R1438 VanDerWaalsContact C-N 3.3Å; Y1436-R1438 PolarHBondContact O-N 2.88Å; R1438-Y1441 PolarHBondContact O-N 3.02Å; R1438-Q1442 WeakPolarHBondContact O-CG 3.4Å; R1438-Q1442 PolarHBondContact O-N 2.69Å
1439K86.9Confident75.1Confident116 Ų11688.7 Ų88.750%0.50442%0.419SS..Hα-helixtrans-61.7-43.1176.7-74178.8-175.2167.20111.6E1435 Y1436 Q1442 A1443E1435-K1439 WeakPolarHBondContact O-CG 3.29Å; E1435-K1439 PolarHBondContact O-N 2.85Å; E1435-K1439 VanDerWaalsContact OE1-CE 3.27Å; E1435-K1439 WeakPolarHBondContact OE1-CE 3.04Å; E1435-K1439 IonicContact OE1-NZ 3.02Å; E1435-K1439 PolarHBondContact OE1-NZ 2.94Å; Y1436-K1439 PolarHBondContact O-N 3.09Å; K1439-Q1442 PolarHBondContact O-N 2.86Å; K1439-A1443 VanDerWaalsContact O-CB 3.29Å; K1439-A1443 WeakPolarHBondContact O-CB 3.4Å; K1439-A1443 PolarHBondContact O-N 3.49Å
1440T86.3Confident73.9Confident43 Ų4393.8 Ų93.826%0.26445%0.449SS..Hα-helixtrans-62.1-44.8176.3-54.80000111.8Y1436 A1443 I1444Y1436-T1440 WeakPolarHBondContact CE1-OG1 3.31Å; Y1436-T1440 PolarHBondContact O-N 3.42Å; Y1436-T1440 PolarHBondContact O-OG1 3.05Å; T1440-A1443 PolarHBondContact O-N 2.77Å; T1440-I1444 HydrophobicContact CG2-CD1 3.96Å; T1440-I1444 VanDerWaalsContact O-CG1 3.29Å; T1440-I1444 WeakPolarHBondContact O-CG1 3.44Å; T1440-I1444 PolarHBondContact O-N 3.45Å; T1440-I1444 VanDerWaalsContact O-N 3.11Å
1441Y87.1Confident72.4Confident9 Ų992.1 Ų92.14%0.03546%0.456CS..Hα-helixtrans-59.8-50.4176-168.1-87.5000111.1L1376 V1377 F1395 H1400 D1401 I1417 R1437 R1438 A1443 I1444 F1445L1376-Y1441 HydrophobicContact CD2-CD2 4.23Å; L1376-Y1441 HydrophobicContact CD2-CG 4.13Å; V1377-Y1441 HydrophobicContact CG2-CD1 4.04Å; V1377-Y1441 HydrophobicContact CG2-CE1 4.01Å; F1395-Y1441 HydrophobicContact CD1-CE2 4.5Å; F1395-Y1441 HydrophobicContact CE1-CD1 4.29Å; F1395-Y1441 AromaticContact CE1-CD2 3.83Å; F1395-Y1441 HydrophobicContact CE1-CD2 3.83Å; F1395-Y1441 AromaticContact CE1-CE1 3.89Å; F1395-Y1441 HydrophobicContact CE1-CE1 3.89Å; F1395-Y1441 AromaticContact CE1-CE2 3.43Å; F1395-Y1441 HydrophobicContact CE1-CE2 3.43Å; F1395-Y1441 VanDerWaalsContact CE1-CE2 3.43Å; F1395-Y1441 HydrophobicContact CE1-CG 4.28Å; F1395-Y1441 AromaticContact CE1-CZ 3.46Å; F1395-Y1441 VanDerWaalsContact CE1-CZ 3.46Å; F1395-Y1441 AromaticContact CZ-CD2 3.8Å; F1395-Y1441 HydrophobicContact CZ-CD2 3.8Å; F1395-Y1441 AromaticContact CZ-CE2 3.47Å; F1395-Y1441 HydrophobicContact CZ-CE2 3.47Å; F1395-Y1441 VanDerWaalsContact CZ-CE2 3.47Å; F1395-Y1441 AromaticContact CZ-CZ 3.99Å; H1400-Y1441 PolarHBondContact CD2-OH 3.14Å; D1401-Y1441 PolarHBondContact N-OH 3.22Å; I1417-Y1441 HydrophobicContact CD1-CD2 3.46Å; I1417-Y1441 VanDerWaalsContact CD1-CD2 3.46Å; I1417-Y1441 HydrophobicContact CD1-CE2 4.38Å; I1417-Y1441 HydrophobicContact CD1-CG 4.15Å; I1417-Y1441 HydrophobicContact CG1-CD2 3.77Å; I1417-Y1441 HydrophobicContact CG1-CE2 4.23Å; R1437-Y1441 WeakPolarHBondContact O-CB 3.03Å; R1437-Y1441 PolarHBondContact O-N 3.01Å; R1438-Y1441 PolarHBondContact O-N 3.02Å; Y1441-A1443 VanDerWaalsContact C-N 3.33Å; Y1441-A1443 PolarHBondContact O-N 3.27Å; Y1441-I1444 PolarHBondContact O-N 2.74Å; Y1441-F1445 AromaticContact CD1-CD2 3.97Å; Y1441-F1445 HydrophobicContact CD1-CD2 3.97Å; Y1441-F1445 HydrophobicContact CD1-CE2 4.38Å; Y1441-F1445 HydrophobicContact CD2-CD2 4.39Å; Y1441-F1445 HydrophobicContact CD2-CE2 4.01Å; Y1441-F1445 AromaticContact CE1-CD2 3.8Å; Y1441-F1445 HydrophobicContact CE1-CD2 3.8Å; Y1441-F1445 HydrophobicContact CE1-CE2 4.1Å; Y1441-F1445 HydrophobicContact CE2-CD2 4.2Å; Y1441-F1445 AromaticContact CE2-CE2 3.66Å; Y1441-F1445 HydrophobicContact CE2-CE2 3.66Å; Y1441-F1445 HydrophobicContact CG-CD2 4.26Å; Y1441-F1445 HydrophobicContact CG-CE2 4.33Å; Y1441-F1445 AromaticContact CZ-CD2 3.9Å; Y1441-F1445 AromaticContact CZ-CE2 3.71Å; Y1441-F1445 WeakPolarHBondContact O-CD2 3.46Å; Y1441-F1445 PolarHBondContact O-N 2.85Å
1442Q83.8Confident70.9Confident78 Ų7890.1 Ų90.136%0.36446%0.458SS..Hα-helixtrans-61.6-38.1178.5-70.8174-2000113R1438 K1439 K1446R1438-Q1442 WeakPolarHBondContact O-CG 3.4Å; R1438-Q1442 PolarHBondContact O-N 2.69Å; K1439-Q1442 PolarHBondContact O-N 2.86Å; Q1442-K1446 WeakPolarHBondContact O-CB 3.48Å; Q1442-K1446 WeakPolarHBondContact O-CG 3.3Å; Q1442-K1446 PolarHBondContact O-N 2.98Å
1443A79.6Confident68.8Low55 Ų5594.6 Ų94.646%0.45548%0.484SS..Hα-helixtrans-68.1-38.2-179.900000113.1K1439 T1440 Y1441 F1445K1439-A1443 VanDerWaalsContact O-CB 3.29Å; K1439-A1443 WeakPolarHBondContact O-CB 3.4Å; K1439-A1443 PolarHBondContact O-N 3.49Å; T1440-A1443 PolarHBondContact O-N 2.77Å; Y1441-A1443 VanDerWaalsContact C-N 3.33Å; Y1441-A1443 PolarHBondContact O-N 3.27Å; A1443-F1445 VanDerWaalsContact C-N 3.33Å
1444I77.9Confident66.4Low74 Ų74100.4 Ų100.438%0.37950%0.503SS..Hα-helixtrans-64-41.6178.4-70.2166.1000110.5I1417 T1440 Y1441I1417-I1444 HydrophobicContact CD1-CD1 4.02Å; I1417-I1444 HydrophobicContact CG1-CD1 4.01Å; T1440-I1444 HydrophobicContact CG2-CD1 3.96Å; T1440-I1444 VanDerWaalsContact O-CG1 3.29Å; T1440-I1444 WeakPolarHBondContact O-CG1 3.44Å; T1440-I1444 PolarHBondContact O-N 3.45Å; T1440-I1444 VanDerWaalsContact O-N 3.11Å; Y1441-I1444 PolarHBondContact O-N 2.74Å
1445F72.9Confident63.5Low23 Ų23108 Ų10810%0.10153%0.532CS..Hα-helixtrans-89.3-25.4-173.4-69.9-66.8000114.1D1401 I1417 Y1441 A1443 K1447 R1448D1401-F1445 HydrophobicContact CB-CB 4.43Å; D1401-F1445 HydrophobicContact CB-CD1 3.89Å; D1401-F1445 HydrophobicContact CB-CD2 4.28Å; D1401-F1445 HydrophobicContact CB-CE1 4.33Å; D1401-F1445 HydrophobicContact CB-CG 3.91Å; D1401-F1445 WeakPolarHBondContact OD2-CB 3.5Å; D1401-F1445 WeakPolarHBondContact OD2-CD1 3.42Å; D1401-F1445 VanDerWaalsContact OD2-CG 3.25Å; D1401-F1445 WeakPolarHBondContact OD2-CG 3.38Å; I1417-F1445 HydrophobicContact CG1-CE2 4.49Å; Y1441-F1445 AromaticContact CD1-CD2 3.97Å; Y1441-F1445 HydrophobicContact CD1-CD2 3.97Å; Y1441-F1445 HydrophobicContact CD1-CE2 4.38Å; Y1441-F1445 HydrophobicContact CD2-CD2 4.39Å; Y1441-F1445 HydrophobicContact CD2-CE2 4.01Å; Y1441-F1445 AromaticContact CE1-CD2 3.8Å; Y1441-F1445 HydrophobicContact CE1-CD2 3.8Å; Y1441-F1445 HydrophobicContact CE1-CE2 4.1Å; Y1441-F1445 HydrophobicContact CE2-CD2 4.2Å; Y1441-F1445 AromaticContact CE2-CE2 3.66Å; Y1441-F1445 HydrophobicContact CE2-CE2 3.66Å; Y1441-F1445 HydrophobicContact CG-CD2 4.26Å; Y1441-F1445 HydrophobicContact CG-CE2 4.33Å; Y1441-F1445 AromaticContact CZ-CD2 3.9Å; Y1441-F1445 AromaticContact CZ-CE2 3.71Å; Y1441-F1445 WeakPolarHBondContact O-CD2 3.46Å; Y1441-F1445 PolarHBondContact O-N 2.85Å; A1443-F1445 VanDerWaalsContact C-N 3.33Å; F1445-K1447 PolarHBondContact O-N 3.36Å; F1445-R1448 PolarHBondContact O-N 3.12Å
1446K64.1Low61Low163 Ų163107.7 Ų107.771%0.70954%0.543SS*.Hα-helixtrans-59.1-32.5168.6-84.7-173.1175.9-170.80113.1Q1442 R1448 A1449Q1442-K1446 WeakPolarHBondContact O-CB 3.48Å; Q1442-K1446 WeakPolarHBondContact O-CG 3.3Å; Q1442-K1446 PolarHBondContact O-N 2.98Å; K1446-R1448 PolarHBondContact O-N 3.4Å; K1446-A1449 PolarHBondContact O-N 2.95Å
1447K48.6Very low58Low181 Ų181110.3 Ų110.379%0.78756%0.559SS**THydrogen-bonded Turntrans-69.9-16.4179.9-75.1-170.8176.7-171.40114.4F1445F1445-K1447 PolarHBondContact O-N 3.36Å
1448R44.6Very low55Low194 Ų194116.8 Ų116.873%0.73260%0.595SS**THydrogen-bonded Turntrans-86.5-13178.6-96.1-178.9173.8177.5-3.3114.3F1445 K1446 V1450F1445-R1448 PolarHBondContact O-N 3.12Å; K1446-R1448 PolarHBondContact O-N 3.4Å; R1448-V1450 VanDerWaalsContact C-N 3.26Å; R1448-V1450 PolarHBondContact O-N 3.1Å
1449A42Very low52Low88 Ų88121.1 Ų121.173%0.72762%0.619SS**SBendtrans-80.7-1.4-17700000114.2K1446K1446-A1449 PolarHBondContact O-N 2.95Å
1450V36.8Very low49Very low121 Ų121125.1 Ų125.173%0.73364%0.637SS**SBendtrans-97.498.8171.4-174.60000107.4R1448R1448-V1450 VanDerWaalsContact C-N 3.26Å; R1448-V1450 PolarHBondContact O-N 3.1Å
1451S34.1Very low46.1Very low92 Ų92130.6 Ų130.664%0.64366%0.664SS**  trans-60.2125.4171.540.40000109.6D1453S1451-D1453 PolarHBondContact O-N 3.35Å
1452P37.5Very low43.2Very low111 Ų111137.2 Ų137.272%0.72170%0.7SS**  trans-86.680.3176.834.1-29000108.7
1453D34.9Very low40.4Very low145 Ų145139.2 Ų139.278%0.77572%0.722SS**  trans-88.5149.1158-87.3-34.8000108.8S1451S1451-D1453 PolarHBondContact O-N 3.35Å
1454E33.2Very low37.7Very low195 Ų195142.7 Ų142.791%0.91174%0.738SS**  trans80.672.1-176.6-53.2-173.7174.800115.3
1455R26.8Very low35.2Very low233 Ų233144 Ų14488%0.87975%0.753SS**  trans-115.987.8151.5-128-177-79.2-153-3.6107.5E1457R1455-E1457 PolarHBondContact O-N 3.2Å
1456S32.3Very low33Very low115 Ų115152.7 Ų152.780%0.80479%0.792SS**  trans-72.4120.7164.753.90000108.2
1457E25.3Very low31.1Very low175 Ų175150.4 Ų150.482%0.81879%0.792SS**  trans-60.6139.7166.6-55.7-174.2144.700109R1455R1455-E1457 PolarHBondContact O-N 3.2Å
1458D29.3Very low29.8Very low156 Ų156152.7 Ų152.783%0.83480%0.795SS**  trans-171.8130.1133.3-90.5-27.4000112.5
1459E27.5Very low29.3Very low177 Ų177149.6 Ų149.683%0.82780%0.804SS**  trans65.498.9148-62.9-163.9143.900122.4
1460F23.4Very low28.6Very low199 Ų199150.9 Ų150.987%0.87380%0.802SS**  -10.8121.4118.5-96.1-106.6000116
1461L25.5Very low28Very low158 Ų158154 Ų15483%0.82780%0.801SS**  -179.6136.9107.7-96.7167.1000111.8
1462N26Very low27.8Very low149 Ų149157.8 Ų157.880%0.79781%0.814SS**  trans-48.6137.2164.2-74.8-40.3000111.6
1463S26Very low27.3Very low119 Ų119162.7 Ų162.783%0.83282%0.818SS**  -168.8135.1123.5-85.20000112.9
1464T22.6Very low27Very low128 Ų128163.9 Ų163.979%0.78583%0.825SS**  trans-55.4154.6171.538.20000114.4
1465S24.8Very low26.8Very low101 Ų101158 Ų15871%0.70682%0.816SS**  trans69.3109.6158.864.20000117.5
1466F28.1Very low26.7Very low206 Ų206152.2 Ų152.290%0.90481%0.811SS**  -157156.2121.7-107.6-78.5000111
1467T23.6Very low26.3Very low115 Ų115156.5 Ų156.571%0.70681%0.809SS**  trans-78.2146.2-156.146.70000116.5
1468R21Very low26.2Very low230 Ų230158.1 Ų158.187%0.86881%0.808SS**  trans68.4104.1132.8-159.9179.8-167.7-173.42.4117.7
1469S33.6Very low25.9Very low129 Ų129158.5 Ų158.590%0.90281%0.81SS**  trans-144.1132.8143.9-140.20000111.7
1470T28.6Very low25.8Very low115 Ų115156.3 Ų156.371%0.70681%0.808SS**  trans-90.2134.7-165.742.90000112.9
1471R23.7Very low25.9Very low187 Ų187151.1 Ų151.171%0.70680%0.803SS**  trans69.4109.7131.8-159.2177-175.3169.40.2118
1472N31.1Very low25.9Very low170 Ų170150.7 Ų150.791%0.90980%0.799SS**  trans-146.2130.3132.1-137.9-5.7000112.3
1473R26.3Very low26Very low214 Ų214152.8 Ų152.881%0.80880%0.802SS**  trans-136.7118.7-174.4-163.6-170.9-164.5-169.26.2105.8
1474N29Very low25.9Very low171 Ų171154.5 Ų154.591%0.91480%0.802SS**  trans169.9137.2158.8-85.7-14.4000104.9
1475G27.4Very low26.3Very low70 Ų70154.7 Ų154.772%0.72280%0.803SS**  cis134.993.819.800000108.1
1476S25.6Very low26.4Very low112 Ų112156.6 Ų156.678%0.78381%0.805SS**  trans49.3127.1145.8-150.30000122.3
1477R23.7Very low26.4Very low205 Ų205154.5 Ų154.577%0.77480%0.803SS**  trans87.5119.7144.1-84.2175.6178.3-177.50.9120.8
1478R22.9Very low26.4Very low210 Ų210156.9 Ų156.979%0.79281%0.806SS**  trans66.4105.4143.8-66.4179.8-178.5166.2-1.8116.8
1479N24.1Very low26.8Very low163 Ų163155.1 Ų155.187%0.87281%0.808SS**  -160.2131.8110-94.6-17.3000110.5A1481N1479-A1481 PolarHBondContact O-N 2.96Å
1480V24.5Very low26.3Very low131 Ų131157.1 Ų157.179%0.79480%0.803SS**  trans-74.3101.4169.6168.10000105.4I1482V1480-I1482 HydrophobicContact CG1-CD1 4.27Å; V1480-I1482 HydrophobicContact CG1-CG1 3.88Å
1481A25Very low26.3Very low91 Ų91157.1 Ų157.175%0.75281%0.808SS**  trans-87102165.400000106.7N1479N1479-A1481 PolarHBondContact O-N 2.96Å
1482I27.5Very low26.3Very low148 Ų148153.2 Ų153.276%0.75981%0.81SS**PPolyproline II helixtrans-72.7130.1167.9-74.1163.8000106.5V1480V1480-I1482 HydrophobicContact CG1-CD1 4.27Å; V1480-I1482 HydrophobicContact CG1-CG1 3.88Å
1483F27.5Very low26.2Very low194 Ų194154 Ų15485%0.85181%0.808SS**PPolyproline II helixtrans-57130.2176.5-91.9-102.1000111.7
1484D24.3Very low26.2Very low155 Ų155148 Ų14883%0.82980%0.804SS**PPolyproline II helixtrans-58.9135.7157.3-75.1-49000110.6
1485T30.7Very low26Very low132 Ų132145.2 Ų145.281%0.8180%0.798SS**  trans-139.4131.1155.437.40000107.3
1486D26.6Very low25.9Very low141 Ų141146.7 Ų146.775%0.75480%0.797SS**  trans-59148.4-172.7-47.8-73.1000114.2
1487D28.6Very low25.9Very low161 Ų161148.9 Ų148.986%0.86180%0.8SS**  171.1123.7109.2-89-31.5000110.8
1488E23.4Very low26.1Very low165 Ų165144.7 Ų144.777%0.77180%0.797SS**  trans-61.4127.9169.8-63.7-178.4122.200111.3
1489Q28.6Very low26.2Very low194 Ų194142.3 Ų142.391%0.90780%0.8SS**  trans-137.799.2146.7-74.1-167.1-22.700109.1
1490Q23.2Very low26.2Very low170 Ų170142 Ų14279%0.79480%0.797SS**  trans-70.6130162.2-64.9171.17.700109
1491S28.3Very low26.6Very low115 Ų115146.9 Ų146.980%0.80480%0.801SS**  trans-176.1114.4137.155.30000110.2
1492S24.9Very low27.2Very low106 Ų106148.3 Ų148.374%0.74180%0.802SS**  trans-53.3148.8161.1470000113.8
1493E27.9Very low27.1Very low186 Ų186147.9 Ų147.987%0.86980%0.802SS**  trans167.7103.3141.3-93164.8-154.100107.4
1494A26Very low27.2Very low89 Ų89144.6 Ų144.674%0.73679%0.793SS**  74.1121.676.600000115.1
1495S25.9Very low27.2Very low112 Ų112145.2 Ų145.278%0.78379%0.791SS**  trans84.6119.1153.780.30000120.4
1496S24.1Very low26.9Very low100 Ų100144.9 Ų144.970%0.69979%0.792SS**  trans3134145.753.20000119.2
1497D26.4Very low27.7Very low158 Ų158143.7 Ų143.785%0.84579%0.792SS**  trans-156.6123.8136.4-103.4-20.4000114.4
1498V28.2Very low27.5Very low118 Ų118143.7 Ų143.772%0.71579%0.791SS**  trans7390.9138.1-165.60000120.1
1499D24Very low27.5Very low160 Ų160140.3 Ų140.386%0.85679%0.785SS**  42.4130.5118.2-79.3-40.5000123.3
1500I23.8Very low27.3Very low156 Ų156142.5 Ų142.580%0.879%0.785SS**  trans-97.9126.2173.3-68.5162.2000109.8
1501R32.8Very low27.2Very low234 Ų234146.3 Ų146.388%0.88379%0.792SS**  trans139.6142.2148.8-84.9174-176-145.61.9110.7
1502P37.6Very low27.1Very low120 Ų120152.1 Ų152.178%0.77980%0.797SS**  -145.6144.561.129.7-5.8000115.2
1503N26.1Very low27.1Very low140 Ų140152.1 Ų152.175%0.74980%0.797SS**  87.1146.983.2-152.222.1000116.1
1504N29Very low26.9Very low125 Ų125147.7 Ų147.767%0.66879%0.792SS**  trans101.698172.3-61-7.7000116.6
1505Q24.2Very low26.9Very low168 Ų168148.9 Ų148.979%0.78580%0.795SS**  85.1110.975.1-81.1-176.211.700114.2
1506C25.8Very low26.8Very low124 Ų124154.9 Ų154.984%0.83880%0.8SS**  164.7128.2120.5-89.20000111.7
1507P43Very low26.9Very low116 Ų116155.7 Ų155.775%0.75381%0.806SS**  trans-99.3162.4179.138.1-31.1000112.1
1508I25.1Very low26.9Very low162 Ų162153 Ų15383%0.83181%0.806SS**  trans-178.4121.2139.3-91.3151.1000112
1509S22.9Very low26.9Very low94 Ų94153.3 Ų153.366%0.65781%0.813SS**  trans56.7108.9139.2-61.30000124.8
1510R23.7Very low27.1Very low240 Ų240149.7 Ų149.791%0.90681%0.805SS**  68.3101.7113.7-70.1-179.5174.9175.6-0.4120.3
1511R22.3Very low27.3Very low250 Ų250150.7 Ų150.794%0.94381%0.811SS**  trans-19131134.5-74176.2171178.3-2.6116.3
1512R24.6Very low27.1Very low236 Ų236145.6 Ų145.689%0.89181%0.812SS**  trans-158.4131.6137.2-110.4178.2179.9175.2-0.5111.6
1513S24.8Very low26.7Very low107 Ų107145.1 Ų145.175%0.74881%0.811SS**  trans56.3105.8143-43.40000119.1
1514A24.3Very low26.8Very low92 Ų92147 Ų14776%0.7682%0.816SS**  63.796.381.200000114.3
1515S25.7Very low26.7Very low115 Ų115149.2 Ų149.280%0.80483%0.826SS**  165133.312049.80000112.7
1516R23.8Very low26.9Very low237 Ų237147.6 Ų147.689%0.89482%0.823SS**  trans71.7131.2153.8-70.5177.4166.5175.1-4.2120.7
1517S26.8Very low26.9Very low118 Ų118151.8 Ų151.883%0.82583%0.827SS**  trans64.896.4150.651.40000119.1
1518A27.3Very low26Very low102 Ų102155.1 Ų155.184%0.84383%0.826SS**  trans-142.283149.900000109.8A1520A1518-A1520 VanDerWaalsContact C-N 3.31Å; A1518-A1520 PolarHBondContact O-N 2.85Å; A1518-A1520 VanDerWaalsContact O-N 3.12Å
1519S26.9Very low25.9Very low124 Ų124153.5 Ų153.587%0.86783%0.826SS**  trans-68.584.4159.946.70000109.5
1520A29Very low26.2Very low83 Ų83158.2 Ų158.269%0.68684%0.835SS**  trans-179.376.3161.300000109.2A1518A1518-A1520 VanDerWaalsContact C-N 3.31Å; A1518-A1520 PolarHBondContact O-N 2.85Å; A1518-A1520 VanDerWaalsContact O-N 3.12Å
1521L27.4Very low26.2Very low177 Ų177158.4 Ų158.493%0.92784%0.836SS**  trans-179.863158.9-96.4148.2000108.9
1522S27.9Very low26.3Very low127 Ų127158 Ų15889%0.88883%0.834SS**  trans-135.625.2166.5-155.90000112
1523S29.7Very low26.3Very low111 Ų111156.9 Ų156.978%0.77683%0.83SS**SBendtrans-12140-178.961.40000112.4
1524Q28.4Very low26.3Very low180 Ų180162.8 Ų162.884%0.84184%0.836SS**SBendtrans-15377.6164.4-69.5-164.21.100109.9
1525L27.2Very low26.4Very low170 Ų170166.8 Ų166.889%0.8984%0.838SS**SBendtrans-176.471.5157.1-97.6167.1000108.5
1526N27.9Very low26.4Very low135 Ų135168.3 Ų168.372%0.72284%0.837SS**  trans-167.658.5161.4-98.4-19.5000109.4Y1528N1526-Y1528 PolarHBondContact O-N 2.91Å
1527K25.9Very low26.5Very low212 Ų212161.6 Ų161.692%0.92283%0.826SS**  trans-91.880.3168.8-77.7-177.2178.5175.50108.7
1528Y25.2Very low26.7Very low186 Ų186162.9 Ų162.973%0.72982%0.824SS**  trans-67.1131.1161.9-74.7-88.3000108.6N1526 K1530N1526-Y1528 PolarHBondContact O-N 2.91Å; Y1528-K1530 PolarHBondContact O-N 3.45Å
1529P23.2Very low26.6Very low127 Ų127166.6 Ų166.683%0.82582%0.824SS**  trans-72.991.8-178.529.6-31.7000109R1531P1529-R1531 PolarHBondContact O-N 3.38Å
1530K27.3Very low26.7Very low193 Ų193168 Ų16884%0.83982%0.816SS**  trans-62107.9167.9-72.3-175.9177.1178.80108Y1528 R1532Y1528-K1530 PolarHBondContact O-N 3.45Å; K1530-R1532 VanDerWaalsContact C-N 3.34Å; K1530-R1532 PolarHBondContact O-N 3.13Å
1531R23.9Very low26.7Very low245 Ų245171 Ų17193%0.92582%0.821SS**  trans-54.498.4163.7-105.3179.2166.2-176.9-2.8107.8P1529 R1533P1529-R1531 PolarHBondContact O-N 3.38Å; R1531-R1533 PolarHBondContact O-N 3.35Å; R1531-R1533 VanDerWaalsContact O-N 3.12Å
1532R24.6Very low26.7Very low241 Ų241169 Ų16991%0.90982%0.816SS**  trans-60.7108.9171.6-90.2176.9151.3-175.7-7.4108.6K1530 R1534K1530-R1532 VanDerWaalsContact C-N 3.34Å; K1530-R1532 PolarHBondContact O-N 3.13Å; R1532-R1534 PolarHBondContact O-N 2.94Å
1533R25.6Very low26.8Very low213 Ų213168.1 Ų168.180%0.80481%0.81SS**  trans-63.2125.5156.4-105.8-179.6175.31670.4106.3R1531 H1535R1531-R1533 PolarHBondContact O-N 3.35Å; R1531-R1533 VanDerWaalsContact O-N 3.12Å; R1533-H1535 PolarHBondContact O-N 2.89Å; R1533-H1535 VanDerWaalsContact O-N 3.14Å
1534R23.5Very low26.6Very low231 Ų231171.3 Ų171.387%0.87281%0.812SS**  trans-57115.1172.5-81.6178.1174.5166.2-3.3107.9R1532R1532-R1534 PolarHBondContact O-N 2.94Å
1535H26.2Very low26.7Very low175 Ų175169.9 Ų169.981%0.8182%0.816SS**  trans-71.6119.2163.3-108.2-82.3000106.8R1533R1533-H1535 PolarHBondContact O-N 2.89Å; R1533-H1535 VanDerWaalsContact O-N 3.14Å
1536L27.1Very low26.9Very low148 Ų148169.9 Ų169.978%0.77581%0.812SS**  trans-81.1110.6152.8-99.274.9000105.2
1537S26.5Very low27.3Very low96 Ų96172.9 Ų172.967%0.67182%0.821SS**  trans-108.789.316853.70000106.3
1538D30.8Very low27.9Very low145 Ų145170 Ų17078%0.77581%0.813SS**  trans-89.8116.3162.4-71.5-34.4000106.5
1539Q24.5Very low29.2Very low180 Ų180164.4 Ų164.484%0.84180%0.796SS**  trans-70.9123.5176.9-70.6169.9-32.100109
1540E29.2Very low31.1Very low152 Ų152166.4 Ų166.471%0.7179%0.794SS**  trans-121.3103.5153.2-69.7-157.9127.700108.1K1353K1353-E1540 IonicContact NZ-OE1 3.45Å; K1353-E1540 PolarHBondContact NZ-OE1 3.36Å
1541D28.1Very low33.1Very low146 Ų146164 Ų16478%0.78178%0.784SS**  trans-58.3127.2157.3-75.8-45.2000108.6
1542T27.1Very low35.2Very low137 Ų137152.4 Ų152.484%0.8474%0.74SS**  -176.2127.5126.5280000109.1E1544T1542-E1544 PolarHBondContact O-N 3.46Å
1543S30.2Very low37.8Very low107 Ų107144 Ų14475%0.74871%0.712SS**  trans-54.3119.3170.947.60000111.8
1544E27.2Very low40.5Very low178 Ų178137.1 Ų137.183%0.83270%0.696SS**  trans-167117.2140.6-104.4160.9-150.500107.9T1542 E1546T1542-E1544 PolarHBondContact O-N 3.46Å; E1544-E1546 VanDerWaalsContact C-N 3.29Å; E1544-E1546 PolarHBondContact O-N 3.34Å
1545T29.2Very low43.6Very low150 Ų150128.2 Ų128.292%0.9267%0.665SS**  trans-81.274.3-169.8-10.20000108.8Q1547T1545-Q1547 PolarHBondContact O-N 2.97Å
1546E32.1Very low46.6Very low170 Ų170119.9 Ų119.979%0.79463%0.627SS**  trans-75.5120.1170-70.7-167.415600109.3E1544 M1548E1544-E1546 VanDerWaalsContact C-N 3.29Å; E1544-E1546 PolarHBondContact O-N 3.34Å; E1546-M1548 PolarHBondContact O-N 2.87Å
1547Q35.2Very low49.6Very low198 Ų198114.8 Ų114.893%0.92560%0.603SS**  trans-5699.7-172.7-73.8171.5-18.300111.6T1545T1545-Q1547 PolarHBondContact O-N 2.97Å
1548M38.9Very low52.7Low151 Ų151116.3 Ų116.374%0.74460%0.6SS**  trans-62.1135.6173-65.5177.868.400110.6E1546 E1550E1546-M1548 PolarHBondContact O-N 2.87Å; M1548-E1550 PolarHBondContact O-N 2.88Å
1549D54Low55.7Low69 Ų69109.4 Ų109.437%0.36956%0.563SS.*  trans-64.689.2-173.8-177.842000113.1K1551 S1552 T1611D1549-K1551 PolarHBondContact O-N 3.11Å; D1549-K1551 WeakPolarHBondContact OD1-CB 3.48Å; D1549-K1551 PolarHBondContact OD1-N 3.43Å; D1549-S1552 PolarHBondContact O-N 2.85Å; D1549-S1552 VanDerWaalsContact O-N 3.07Å; D1549-S1552 PolarHBondContact OD2-N 3.43Å; D1549-S1552 PolarHBondContact OD2-OG 3.07Å; D1549-T1611 PolarHBondContact OD2-OG1 2.82Å
1550E61.9Low59Low170 Ų170101.1 Ų101.179%0.79452%0.524SS*.Hα-helixtrans-53.7-20.4172.4-162.7175.1-17400112.2M1548 S1554M1548-E1550 PolarHBondContact O-N 2.88Å; E1550-S1554 WeakPolarHBondContact O-CB 3.41Å; E1550-S1554 PolarHBondContact O-N 3.21Å; E1550-S1554 PolarHBondContact O-OG 3.4Å
1551K69.1Low62.1Low141 Ų14197 Ų9761%0.61351%0.507SS*.Hα-helixtrans-68.3-36.7177-153.3176-178.71780112.9D1549 S1554 L1555D1549-K1551 PolarHBondContact O-N 3.11Å; D1549-K1551 WeakPolarHBondContact OD1-CB 3.48Å; D1549-K1551 PolarHBondContact OD1-N 3.43Å; K1551-S1554 WeakPolarHBondContact CA-OG 3.42Å; K1551-S1554 PolarHBondContact O-OG 3.29Å; K1551-L1555 WeakPolarHBondContact O-CB 3.42Å; K1551-L1555 PolarHBondContact O-N 3.46Å
1552S68.7Low65.3Low2 Ų291 Ų911%0.01448%0.478CS..Hα-helixtrans-65.8-45.9-179.3-67.10000112.7D1549 C1556 T1611D1549-S1552 PolarHBondContact O-N 2.85Å; D1549-S1552 VanDerWaalsContact O-N 3.07Å; D1549-S1552 PolarHBondContact OD2-N 3.43Å; D1549-S1552 PolarHBondContact OD2-OG 3.07Å; S1552-C1556 PolarHBondContact O-N 2.82Å; S1552-C1556 VanDerWaalsContact O-N 3.08Å; S1552-C1556 PolarHBondContact O-SG 3.23Å; S1552-T1611 WeakPolarHBondContact OG-CA 3.5Å; S1552-T1611 WeakPolarHBondContact OG-CB 3.45Å; S1552-T1611 PolarHBondContact OG-N 2.62Å; S1552-T1611 PolarHBondContact OG-OG1 3.23Å
1553Q79.4Confident68.5Low66 Ų6684.5 Ų84.531%0.30844%0.438SS..Hα-helixtrans-69-39.9179.9-163.1169.37.900111.3S1557 L1601 N1607Q1553-S1557 VanDerWaalsContact O-CB 3.28Å; Q1553-S1557 WeakPolarHBondContact O-CB 3.46Å; Q1553-S1557 PolarHBondContact O-N 3.31Å; Q1553-L1601 HydrophobicContact CG-CD1 3.92Å; Q1553-L1601 HydrophobicContact CG-CG 4.4Å; Q1553-L1601 PolarHBondContact NE2-O 2.84Å; Q1553-N1607 WeakPolarHBondContact CB-OD1 3.12Å; Q1553-N1607 WeakPolarHBondContact CG-OD1 3.48Å; Q1553-N1607 PolarHBondContact OE1-ND2 3.35Å
1554S82.4Confident71.7Confident67 Ų6782.3 Ų82.347%0.46941%0.414SS..Hα-helixtrans-65.6-39.8177.265.40000112.5E1550 K1551 S1557 H1558E1550-S1554 WeakPolarHBondContact O-CB 3.41Å; E1550-S1554 PolarHBondContact O-N 3.21Å; E1550-S1554 PolarHBondContact O-OG 3.4Å; K1551-S1554 WeakPolarHBondContact CA-OG 3.42Å; K1551-S1554 PolarHBondContact O-OG 3.29Å; S1554-S1557 WeakPolarHBondContact O-CB 3.48Å; S1554-S1557 PolarHBondContact O-N 2.87Å; S1554-H1558 WeakPolarHBondContact O-CB 3.35Å; S1554-H1558 PolarHBondContact O-N 3.32Å
1555L87.9Confident74.8Confident44 Ų4481.3 Ų81.323%0.2341%0.407CS..Hα-helixtrans-65.6-47.3176.2-142.485.4000111.9K1551 S1557 H1558 I1559 T1611 L1615 I1657 T1659K1551-L1555 WeakPolarHBondContact O-CB 3.42Å; K1551-L1555 PolarHBondContact O-N 3.46Å; L1555-S1557 VanDerWaalsContact C-N 3.29Å; L1555-S1557 PolarHBondContact O-N 2.87Å; L1555-H1558 WeakPolarHBondContact O-CB 3.42Å; L1555-H1558 PolarHBondContact O-N 3.26Å; L1555-I1559 WeakPolarHBondContact O-CG1 3.49Å; L1555-I1559 PolarHBondContact O-N 2.85Å; L1555-T1611 HydrophobicContact CD2-CG2 4.33Å; L1555-L1615 HydrophobicContact CD2-CD1 3.75Å; L1555-L1615 HydrophobicContact CD2-CD2 3.98Å; L1555-L1615 HydrophobicContact CD2-CG 4.32Å; L1555-I1657 HydrophobicContact CD2-CD1 4.39Å; L1555-I1657 HydrophobicContact CD2-CG2 3.51Å; L1555-I1657 HydrophobicContact CG-CG2 4.35Å; L1555-T1659 HydrophobicContact CD2-CG2 4.37Å
1556C89.7Confident78Confident1 Ų175.8 Ų75.81%0.00737%0.37CS..Hα-helixtrans-63.3-37.5177.1-670000111.4S1552 L1560 L1601 L1618S1552-C1556 PolarHBondContact O-N 2.82Å; S1552-C1556 VanDerWaalsContact O-N 3.08Å; S1552-C1556 PolarHBondContact O-SG 3.23Å; C1556-L1560 WeakPolarHBondContact O-CB 3.19Å; C1556-L1560 WeakPolarHBondContact O-CG 3.26Å; C1556-L1560 PolarHBondContact O-N 3.08Å; C1556-L1601 HydrophobicContact CB-CD1 3.6Å; C1556-L1618 HydrophobicContact CB-CD2 4.05Å
1557S90.2Very high80.8Confident40 Ų4074.3 Ų74.328%0.2836%0.361SS..Hα-helixtrans-60.8-46.6172.3-162.10000111.5Q1553 S1554 L1555 I1559 L1560 D1561 L1601Q1553-S1557 VanDerWaalsContact O-CB 3.28Å; Q1553-S1557 WeakPolarHBondContact O-CB 3.46Å; Q1553-S1557 PolarHBondContact O-N 3.31Å; S1554-S1557 WeakPolarHBondContact O-CB 3.48Å; S1554-S1557 PolarHBondContact O-N 2.87Å; L1555-S1557 VanDerWaalsContact C-N 3.29Å; L1555-S1557 PolarHBondContact O-N 2.87Å; S1557-I1559 PolarHBondContact O-N 3.39Å; S1557-L1560 PolarHBondContact O-N 3.12Å; S1557-D1561 VanDerWaalsContact O-CB 3.31Å; S1557-D1561 WeakPolarHBondContact O-CB 3.46Å; S1557-D1561 PolarHBondContact O-N 3.29Å; S1557-L1601 VanDerWaalsContact CA-CD2 3.44Å
1558H91Very high83.7Confident129 Ų12966.5 Ų66.560%0.59733%0.325SS*.Hα-helixtrans-60.6-46.7-179.6-170.478.6000111.8S1554 L1555 A1562S1554-H1558 WeakPolarHBondContact O-CB 3.35Å; S1554-H1558 PolarHBondContact O-N 3.32Å; L1555-H1558 WeakPolarHBondContact O-CB 3.42Å; L1555-H1558 PolarHBondContact O-N 3.26Å; H1558-A1562 WeakPolarHBondContact O-CB 3.45Å; H1558-A1562 PolarHBondContact O-N 2.96Å
1559I93.1Very high86.5Confident0 Ų059.3 Ų59.30%029%0.289CS..Hα-helixtrans-62.2-51.5176.6-61.7168.9000110.4L1555 S1557 D1561 A1562 V1563 L1615 L1618 F1654 I1657L1555-I1559 WeakPolarHBondContact O-CG1 3.49Å; L1555-I1559 PolarHBondContact O-N 2.85Å; S1557-I1559 PolarHBondContact O-N 3.39Å; I1559-D1561 VanDerWaalsContact C-N 3.3Å; I1559-D1561 PolarHBondContact O-N 2.88Å; I1559-A1562 PolarHBondContact O-N 3.45Å; I1559-V1563 HydrophobicContact CG2-CG2 4.18Å; I1559-V1563 WeakPolarHBondContact O-CB 3.33Å; I1559-V1563 VanDerWaalsContact O-CG2 3.23Å; I1559-V1563 WeakPolarHBondContact O-CG2 3.41Å; I1559-V1563 PolarHBondContact O-N 3.36Å; I1559-L1615 HydrophobicContact CD1-CD2 3.64Å; I1559-L1618 HydrophobicContact CB-CD2 4.26Å; I1559-L1618 HydrophobicContact CD1-CD2 4.11Å; I1559-L1618 HydrophobicContact CG2-CD2 4.24Å; I1559-F1654 HydrophobicContact CD1-CE1 4.02Å; I1559-F1654 HydrophobicContact CD1-CE2 4.32Å; I1559-F1654 HydrophobicContact CD1-CZ 3.89Å; I1559-F1654 HydrophobicContact CG2-CE2 4.12Å; I1559-F1654 HydrophobicContact CG2-CZ 4.48Å; I1559-I1657 HydrophobicContact CD1-CD1 3.32Å; I1559-I1657 HydrophobicContact CG1-CD1 3.45Å; I1559-I1657 VanDerWaalsContact CG1-CD1 3.45Å
1560L94.1Very high88.4Confident6 Ų662.2 Ų62.23%0.03130%0.295CS..Hα-helixtrans-61.4-39-177.8-81.1171.5000111.9C1556 S1557 V1563 Y1564 L1594 M1597 L1601 Y1606 L1618C1556-L1560 WeakPolarHBondContact O-CB 3.19Å; C1556-L1560 WeakPolarHBondContact O-CG 3.26Å; C1556-L1560 PolarHBondContact O-N 3.08Å; S1557-L1560 PolarHBondContact O-N 3.12Å; L1560-V1563 PolarHBondContact O-N 3.2Å; L1560-Y1564 WeakPolarHBondContact O-CB 3.5Å; L1560-Y1564 PolarHBondContact O-N 3.02Å; L1560-L1594 HydrophobicContact CD2-CD2 4.24Å; L1560-M1597 HydrophobicContact CD1-CB 4.3Å; L1560-M1597 HydrophobicContact CD2-CB 3.93Å; L1560-M1597 HydrophobicContact CD2-SD 4.18Å; L1560-L1601 HydrophobicContact CD1-CB 4.2Å; L1560-L1601 HydrophobicContact CD1-CD2 4.15Å; L1560-Y1606 HydrophobicContact CD1-CE2 4.14Å; L1560-L1618 HydrophobicContact CD1-CD1 3.98Å; L1560-L1618 HydrophobicContact CD2-CD1 3.86Å; L1560-L1618 HydrophobicContact CG-CD1 3.87Å
1561D94.2Very high89.9Confident64 Ų6455.4 Ų55.434%0.34227%0.266SS..Hα-helixtrans-67.5-40.7176.2-77.9-24.2000112.3S1557 I1559 Y1564 K1565S1557-D1561 VanDerWaalsContact O-CB 3.31Å; S1557-D1561 WeakPolarHBondContact O-CB 3.46Å; S1557-D1561 PolarHBondContact O-N 3.29Å; I1559-D1561 VanDerWaalsContact C-N 3.3Å; I1559-D1561 PolarHBondContact O-N 2.88Å; D1561-Y1564 PolarHBondContact O-N 3.39Å; D1561-K1565 WeakPolarHBondContact O-CB 3.29Å; D1561-K1565 VanDerWaalsContact O-CG 3.25Å; D1561-K1565 WeakPolarHBondContact O-CG 3.49Å; D1561-K1565 PolarHBondContact O-N 3.49Å
1562A95Very high91.2Very high22 Ų2249.4 Ų49.418%0.18224%0.24CC..Hα-helixtrans-62.3-46174.900000111.1H1558 I1559 K1565 H1566 F1649H1558-A1562 WeakPolarHBondContact O-CB 3.45Å; H1558-A1562 PolarHBondContact O-N 2.96Å; I1559-A1562 PolarHBondContact O-N 3.45Å; A1562-K1565 PolarHBondContact O-N 3.22Å; A1562-H1566 PolarHBondContact O-N 3Å; A1562-H1566 VanDerWaalsContact O-N 3.12Å; A1562-F1649 HydrophobicContact CB-CE1 4.3Å; A1562-F1649 HydrophobicContact CB-CZ 4.31Å
1563V96.1Very high92.5Very high0 Ų053.2 Ų53.20%025%0.254CS..Hα-helixtrans-64-44.8177.7175.80000110.8I1559 L1560 K1565 H1566 S1569 L1594 L1622 L1646 F1649 V1650I1559-V1563 HydrophobicContact CG2-CG2 4.18Å; I1559-V1563 WeakPolarHBondContact O-CB 3.33Å; I1559-V1563 VanDerWaalsContact O-CG2 3.23Å; I1559-V1563 WeakPolarHBondContact O-CG2 3.41Å; I1559-V1563 PolarHBondContact O-N 3.36Å; L1560-V1563 PolarHBondContact O-N 3.2Å; V1563-K1565 VanDerWaalsContact C-N 3.31Å; V1563-K1565 PolarHBondContact O-N 3.04Å; V1563-H1566 WeakPolarHBondContact O-CB 3.45Å; V1563-H1566 PolarHBondContact O-N 2.68Å; V1563-S1569 VanDerWaalsContact O-CB 3.23Å; V1563-S1569 WeakPolarHBondContact O-CB 3.27Å; V1563-L1594 HydrophobicContact CG1-CD1 4.25Å; V1563-L1594 HydrophobicContact CG1-CD2 3.8Å; V1563-L1622 HydrophobicContact CG1-CD2 4.46Å; V1563-L1646 HydrophobicContact CG1-CD1 4.07Å; V1563-L1646 HydrophobicContact CG1-CD2 4.22Å; V1563-L1646 HydrophobicContact CG1-CG 4.23Å; V1563-F1649 HydrophobicContact CG2-CE1 4.43Å; V1563-V1650 HydrophobicContact CG1-CG2 4.2Å; V1563-V1650 HydrophobicContact CG2-CG2 3.63Å
1564Y95.5Very high93.1Very high60 Ų6057.3 Ų57.324%0.23527%0.271CS..Hα-helixtrans-64.2-33.8179.1-168.5-84.1000113L1560 D1561 S1569 R1573 L1594L1560-Y1564 WeakPolarHBondContact O-CB 3.5Å; L1560-Y1564 PolarHBondContact O-N 3.02Å; D1561-Y1564 PolarHBondContact O-N 3.39Å; Y1564-S1569 PolarHBondContact O-OG 3.09Å; Y1564-R1573 HydrophobicContact CD2-CG 4.11Å; Y1564-R1573 HydrophobicContact CE1-CG 4.39Å; Y1564-R1573 HydrophobicContact CE2-CB 3.84Å; Y1564-R1573 HydrophobicContact CE2-CG 3.7Å; Y1564-R1573 PolarHBondContact O-NE 3.33Å; Y1564-R1573 PolarHBondContact O-NH2 3.5Å; Y1564-R1573 VanDerWaalsContact O-NH2 3.12Å; Y1564-L1594 HydrophobicContact CD2-CB 3.84Å; Y1564-L1594 HydrophobicContact CD2-CD1 4.2Å; Y1564-L1594 HydrophobicContact CE2-CB 4.37Å
1565K93.2Very high93.6Very high157 Ų15757.4 Ų57.468%0.68327%0.269SS*.Hα-helixtrans-80.5-18.2177.7-71.3171.5-174.5170.90113.2D1561 A1562 V1563D1561-K1565 WeakPolarHBondContact O-CB 3.29Å; D1561-K1565 VanDerWaalsContact O-CG 3.25Å; D1561-K1565 WeakPolarHBondContact O-CG 3.49Å; D1561-K1565 PolarHBondContact O-N 3.49Å; A1562-K1565 PolarHBondContact O-N 3.22Å; V1563-K1565 VanDerWaalsContact C-N 3.31Å; V1563-K1565 PolarHBondContact O-N 3.04Å
1566H95.6Very high93.7Very high35 Ų3557.3 Ų57.316%0.16227%0.271CS..SBendtrans-59.8143.3-179.5-172-108.2000112A1562 V1563 H1568 S1569 L1646 F1649A1562-H1566 PolarHBondContact O-N 3Å; A1562-H1566 VanDerWaalsContact O-N 3.12Å; V1563-H1566 WeakPolarHBondContact O-CB 3.45Å; V1563-H1566 PolarHBondContact O-N 2.68Å; H1566-H1568 AromaticContact CE1-CD2 3.69Å; H1566-H1568 PolarHBondContact ND1-N 3.44Å; H1566-H1568 PolarHBondContact O-N 3.24Å; H1566-H1568 VanDerWaalsContact O-N 3.14Å; H1566-S1569 WeakPolarHBondContact O-CB 3.45Å; H1566-S1569 PolarHBondContact O-N 3.46Å; H1566-S1569 PolarHBondContact O-OG 2.83Å; H1566-L1646 HydrophobicContact CB-CD1 3.59Å; H1566-L1646 WeakPolarHBondContact ND1-CD1 3.31Å; H1566-F1649 HydrophobicContact CB-CD1 4.03Å; H1566-F1649 HydrophobicContact CB-CE1 4.05Å; H1566-F1649 AromaticContact CD2-CD1 3.86Å; H1566-F1649 AromaticContact CD2-CD2 3.73Å; H1566-F1649 AromaticContact CD2-CG 3.63Å; H1566-F1649 AromaticContact CG-CD1 3.89Å; H1566-F1649 AromaticContact NE2-CD2 4Å; H1566-F1649 AromaticContact NE2-CG 3.89Å
1567K92.8Very high93.6Very high139 Ų13960.9 Ų60.960%0.60429%0.29SS*.G310 helixtrans-57.8-30.3-175.760.8172.3170.4131.50114.2
1568H95.6Very high93.3Very high34 Ų3466.3 Ų66.316%0.15730%0.304CS..G310 helixtrans-92.25.1-178.5-70-66000113.9H1566 W1570 P1571 A1642 Q1645 L1646H1566-H1568 AromaticContact CE1-CD2 3.69Å; H1566-H1568 PolarHBondContact ND1-N 3.44Å; H1566-H1568 PolarHBondContact O-N 3.24Å; H1566-H1568 VanDerWaalsContact O-N 3.14Å; H1568-W1570 VanDerWaalsContact C-N 3.31Å; H1568-W1570 PolarHBondContact O-N 3.05Å; H1568-P1571 WeakPolarHBondContact O-CD 3.36Å; H1568-A1642 HydrophobicContact CB-CB 4.02Å; H1568-A1642 WeakPolarHBondContact CB-O 3.33Å; H1568-Q1645 HydrophobicContact CB-CB 4.36Å; H1568-Q1645 PolarHBondContact CD2-OE1 3.2Å; H1568-Q1645 VanDerWaalsContact CD2-OE1 3.27Å; H1568-Q1645 PolarHBondContact NE2-OE1 2.99Å; H1568-L1646 HydrophobicContact CB-CB 4.22Å
1569S96.4Very high92.5Very high0 Ų064.6 Ų64.60%031%0.306CS..G310 helixtrans-77-12.417863.40000114.6V1563 Y1564 H1566 P1571 F1572 R1573V1563-S1569 VanDerWaalsContact O-CB 3.23Å; V1563-S1569 WeakPolarHBondContact O-CB 3.27Å; Y1564-S1569 PolarHBondContact O-OG 3.09Å; H1566-S1569 WeakPolarHBondContact O-CB 3.45Å; H1566-S1569 PolarHBondContact O-N 3.46Å; H1566-S1569 PolarHBondContact O-OG 2.83Å; S1569-P1571 VanDerWaalsContact C-N 3.34Å; S1569-P1571 WeakPolarHBondContact O-CD 3.3Å; S1569-P1571 VanDerWaalsContact O-N 3.13Å; S1569-F1572 PolarHBondContact O-N 3.46Å; S1569-R1573 WeakPolarHBondContact O-CG 3.37Å; S1569-R1573 PolarHBondContact O-N 3.35Å; S1569-R1573 PolarHBondContact OG-NE 3.43Å; S1569-R1573 PolarHBondContact OG-NH2 2.9Å
1570W94.6Very high91.9Very high129 Ų12972 Ų7249%0.48934%0.341SS..G310 helixtrans-52.3-35.8-169.669.5-93.5000116H1568 F1572 I1639H1568-W1570 VanDerWaalsContact C-N 3.31Å; H1568-W1570 PolarHBondContact O-N 3.05Å; W1570-F1572 VanDerWaalsContact C-N 3.3Å; W1570-F1572 PolarHBondContact O-N 3.18Å; W1570-I1639 HydrophobicContact CH2-CG1 4.09Å
1571P92.9Very high91.5Very high28 Ų2873.4 Ų73.418%0.18235%0.35CS..G310 helixtrans-73.2-24.1177-11.127000113H1568 S1569 I1639 A1642H1568-P1571 WeakPolarHBondContact O-CD 3.36Å; S1569-P1571 VanDerWaalsContact C-N 3.34Å; S1569-P1571 WeakPolarHBondContact O-CD 3.3Å; S1569-P1571 VanDerWaalsContact O-N 3.13Å; P1571-I1639 HydrophobicContact CB-CG1 4.24Å; P1571-I1639 HydrophobicContact CB-CG2 3.93Å; P1571-I1639 HydrophobicContact CG-CG1 4.33Å; P1571-I1639 HydrophobicContact CG-CG2 4.26Å; P1571-A1642 HydrophobicContact CG-CB 4.2Å
1572F97.2Very high90.8Very high15 Ų1574.1 Ų74.17%0.06636%0.358CS..G310 helixtrans-100.3-1.9-167.8-53.9-78.1000113.7S1569 W1570 K1574 D1593 L1594 M1625 A1629 I1639 L1646S1569-F1572 PolarHBondContact O-N 3.46Å; W1570-F1572 VanDerWaalsContact C-N 3.3Å; W1570-F1572 PolarHBondContact O-N 3.18Å; F1572-K1574 VanDerWaalsContact C-N 3.32Å; F1572-K1574 PolarHBondContact O-N 3.29Å; F1572-D1593 WeakPolarHBondContact O-CB 3.32Å; F1572-L1594 HydrophobicContact CB-CD1 3.98Å; F1572-L1594 HydrophobicContact CB-CG 4.2Å; F1572-L1594 WeakPolarHBondContact O-CB 3.32Å; F1572-L1594 WeakPolarHBondContact O-CG 3.29Å; F1572-L1594 PolarHBondContact O-N 3.11Å; F1572-M1625 HydrophobicContact CB-CE 4.26Å; F1572-M1625 HydrophobicContact CB-SD 3.71Å; F1572-M1625 HydrophobicContact CD1-CE 4.24Å; F1572-M1625 HydrophobicContact CD1-CG 3.79Å; F1572-M1625 HydrophobicContact CD1-SD 3.94Å; F1572-M1625 HydrophobicContact CE1-CG 4.46Å; F1572-M1625 HydrophobicContact CG-CE 4.24Å; F1572-M1625 HydrophobicContact CG-SD 4.09Å; F1572-A1629 HydrophobicContact CE1-CB 3.66Å; F1572-A1629 HydrophobicContact CZ-CB 4.09Å; F1572-I1639 HydrophobicContact CZ-CG2 4.49Å; F1572-L1646 HydrophobicContact CD2-CD2 3.62Å; F1572-L1646 HydrophobicContact CE2-CD2 4.07Å; F1572-L1646 HydrophobicContact CG-CD2 4.34Å
1573R96.2Very high90.3Very high82 Ų8276.3 Ų76.331%0.30937%0.367SS..SBendtrans-72.9-23.2-173.3-74.3174.5-176.5-179-3.8114.1Y1564 S1569 S1595Y1564-R1573 HydrophobicContact CD2-CG 4.11Å; Y1564-R1573 HydrophobicContact CE1-CG 4.39Å; Y1564-R1573 HydrophobicContact CE2-CB 3.84Å; Y1564-R1573 HydrophobicContact CE2-CG 3.7Å; Y1564-R1573 PolarHBondContact O-NE 3.33Å; Y1564-R1573 PolarHBondContact O-NH2 3.5Å; Y1564-R1573 VanDerWaalsContact O-NH2 3.12Å; S1569-R1573 WeakPolarHBondContact O-CG 3.37Å; S1569-R1573 PolarHBondContact O-N 3.35Å; S1569-R1573 PolarHBondContact OG-NE 3.43Å; S1569-R1573 PolarHBondContact OG-NH2 2.9Å; R1573-S1595 WeakPolarHBondContact O-CB 3.24Å
1574K92.3Very high90.2Very high152 Ų15277.1 Ų77.166%0.66137%0.37SS*.SBendtrans-141.9157.9-175.6-70.4-174178.2-1780109.4F1572F1572-K1574 VanDerWaalsContact C-N 3.32Å; F1572-K1574 PolarHBondContact O-N 3.29Å
1575P93Very high89.8Confident68 Ų6878 Ų7844%0.44237%0.374SS..  trans-57.7145.2173.2-18.526.5000111.6D1577 D1593P1575-D1577 PolarHBondContact O-N 3.27Å; P1575-D1593 WeakPolarHBondContact CD-OD1 3.47Å; P1575-D1593 VanDerWaalsContact CG-OD1 3.26Å; P1575-D1593 WeakPolarHBondContact CG-OD1 3.3Å
1576V89.8Confident89.3Confident42 Ų4277.6 Ų77.626%0.25537%0.374SS..  trans-63.3126.3176.8-179.30000109.7R1578 V1581 Y1584 Y1585V1576-R1578 PolarHBondContact O-N 2.91Å; V1576-V1581 HydrophobicContact CG1-CB 3.84Å; V1576-V1581 HydrophobicContact CG1-CG2 3.84Å; V1576-Y1584 HydrophobicContact CB-CD1 3.8Å; V1576-Y1584 HydrophobicContact CB-CD2 4.43Å; V1576-Y1584 HydrophobicContact CB-CE1 3.85Å; V1576-Y1584 HydrophobicContact CB-CE2 4.48Å; V1576-Y1584 HydrophobicContact CB-CG 4.1Å; V1576-Y1584 HydrophobicContact CG1-CD1 4.04Å; V1576-Y1584 HydrophobicContact CG1-CD2 4.11Å; V1576-Y1584 HydrophobicContact CG1-CE1 4.48Å; V1576-Y1584 HydrophobicContact CG1-CG 3.83Å; V1576-Y1584 HydrophobicContact CG2-CD1 4.15Å; V1576-Y1584 HydrophobicContact CG2-CD2 4.28Å; V1576-Y1584 HydrophobicContact CG2-CE1 3.76Å; V1576-Y1584 HydrophobicContact CG2-CE2 3.89Å; V1576-Y1584 HydrophobicContact CG2-CG 4.4Å; V1576-Y1585 VanDerWaalsContact O-CE2 3.3Å; V1576-Y1585 WeakPolarHBondContact O-CE2 3.21Å; V1576-Y1585 PolarHBondContact O-OH 3.44Å
1577D85.9Confident88.6Confident77 Ų7779.9 Ų79.941%0.41239%0.387SS..  trans-73.6116-178.2-174.6-12.4000110.7P1575 S1579 Q1580 V1581P1575-D1577 PolarHBondContact O-N 3.27Å; D1577-S1579 PolarHBondContact O-N 3.49Å; D1577-S1579 VanDerWaalsContact O-N 3.13Å; D1577-S1579 WeakPolarHBondContact OD1-CB 2.97Å; D1577-S1579 PolarHBondContact OD1-N 2.99Å; D1577-S1579 PolarHBondContact OD1-OG 3.2Å; D1577-S1579 PolarHBondContact OD2-OG 3.38Å; D1577-Q1580 HydrophobicContact CB-CB 4.32Å; D1577-Q1580 HydrophobicContact CB-CG 4.12Å; D1577-Q1580 PolarHBondContact O-N 3.34Å; D1577-V1581 PolarHBondContact O-N 2.94Å
1578R84.6Confident88.4Confident154 Ų15473.4 Ų73.458%0.58136%0.359SS*.THydrogen-bonded Turntrans-59.8-23.7179.6-164.7173.9-165.3-1705.1113V1576 V1581 P1582 Y1585V1576-R1578 PolarHBondContact O-N 2.91Å; R1578-V1581 CarbonylContact O-C 3.55Å; R1578-P1582 VanDerWaalsContact O-CA 3.24Å; R1578-P1582 WeakPolarHBondContact O-CA 3.41Å; R1578-Y1585 HydrophobicContact CB-CD2 4.02Å; R1578-Y1585 HydrophobicContact CB-CE2 3.85Å; R1578-Y1585 HydrophobicContact CG-CD2 3.92Å; R1578-Y1585 HydrophobicContact CG-CE2 4.29Å
1579S74.6Confident87.9Confident92 Ų9277.8 Ų77.864%0.64339%0.388SS*.THydrogen-bonded Turntrans-74.2-31.7175.769.70000112.6D1577D1577-S1579 PolarHBondContact O-N 3.49Å; D1577-S1579 VanDerWaalsContact O-N 3.13Å; D1577-S1579 WeakPolarHBondContact OD1-CB 2.97Å; D1577-S1579 PolarHBondContact OD1-N 2.99Å; D1577-S1579 PolarHBondContact OD1-OG 3.2Å; D1577-S1579 PolarHBondContact OD2-OG 3.38Å
1580Q79.9Confident87.4Confident155 Ų15581.8 Ų81.872%0.72441%0.409SS*.THydrogen-bonded Turntrans-85.3-33.6177.8-61.7-173.317.500111.7D1577D1577-Q1580 HydrophobicContact CB-CB 4.32Å; D1577-Q1580 HydrophobicContact CB-CG 4.12Å; D1577-Q1580 PolarHBondContact O-N 3.34Å
1581V86.2Confident87.3Confident36 Ų3677.5 Ų77.522%0.21840%0.398CS..  trans-133.282.3-177.1-162.60000109.9V1576 D1577 R1578 D1583 Y1584 Y1632V1576-V1581 HydrophobicContact CG1-CB 3.84Å; V1576-V1581 HydrophobicContact CG1-CG2 3.84Å; D1577-V1581 PolarHBondContact O-N 2.94Å; R1578-V1581 CarbonylContact O-C 3.55Å; V1581-D1583 PolarHBondContact O-N 2.85Å; V1581-Y1584 PolarHBondContact O-N 3.18Å; V1581-Y1632 HydrophobicContact CG1-CE1 3.79Å; V1581-Y1632 HydrophobicContact CG1-CE2 4.4Å; V1581-Y1632 VanDerWaalsContact CG1-CZ 3.46Å; V1581-Y1632 WeakPolarHBondContact CG1-OH 3.41Å
1582P80Confident87.3Confident79 Ų7976.6 Ų76.651%0.51339%0.392SS..THydrogen-bonded Turntrans-65.3-35.6-169.7-24.135.2000115.2R1578R1578-P1582 VanDerWaalsContact O-CA 3.24Å; R1578-P1582 WeakPolarHBondContact O-CA 3.41Å
1583D84.5Confident87.3Confident69 Ų6976.2 Ų76.237%0.36939%0.39SS..THydrogen-bonded Turntrans-87-9-175.661.8-15000113.5V1581 Y1585 E1586 I1587 Y1632V1581-D1583 PolarHBondContact O-N 2.85Å; D1583-Y1585 VanDerWaalsContact C-N 3.32Å; D1583-Y1585 PolarHBondContact O-N 3.27Å; D1583-E1586 WeakPolarHBondContact O-CB 3.4Å; D1583-E1586 PolarHBondContact O-N 3.31Å; D1583-I1587 PolarHBondContact O-N 3.18Å; D1583-Y1632 PolarHBondContact OD1-OH 3.41Å
1584Y92.6Very high87.3Confident17 Ų1772.4 Ų72.47%0.06738%0.376CS..Hα-helixtrans-53.3-47.8-178.5-177.8-97.7000112.7V1576 V1581 E1586 I1587 I1588 P1591 Y1632V1576-Y1584 HydrophobicContact CB-CD1 3.8Å; V1576-Y1584 HydrophobicContact CB-CD2 4.43Å; V1576-Y1584 HydrophobicContact CB-CE1 3.85Å; V1576-Y1584 HydrophobicContact CB-CE2 4.48Å; V1576-Y1584 HydrophobicContact CB-CG 4.1Å; V1576-Y1584 HydrophobicContact CG1-CD1 4.04Å; V1576-Y1584 HydrophobicContact CG1-CD2 4.11Å; V1576-Y1584 HydrophobicContact CG1-CE1 4.48Å; V1576-Y1584 HydrophobicContact CG1-CG 3.83Å; V1576-Y1584 HydrophobicContact CG2-CD1 4.15Å; V1576-Y1584 HydrophobicContact CG2-CD2 4.28Å; V1576-Y1584 HydrophobicContact CG2-CE1 3.76Å; V1576-Y1584 HydrophobicContact CG2-CE2 3.89Å; V1576-Y1584 HydrophobicContact CG2-CG 4.4Å; V1581-Y1584 PolarHBondContact O-N 3.18Å; Y1584-E1586 PolarHBondContact O-N 3.26Å; Y1584-I1587 PolarHBondContact O-N 3.22Å; Y1584-I1588 HydrophobicContact CD1-CB 4.43Å; Y1584-I1588 HydrophobicContact CD2-CG1 4.11Å; Y1584-I1588 HydrophobicContact CE1-CB 4.04Å; Y1584-I1588 HydrophobicContact CE1-CG1 4.27Å; Y1584-I1588 HydrophobicContact CE1-CG2 4.17Å; Y1584-I1588 HydrophobicContact CE2-CB 4.36Å; Y1584-I1588 HydrophobicContact CE2-CG1 3.68Å; Y1584-I1588 WeakPolarHBondContact O-CB 3.33Å; Y1584-I1588 PolarHBondContact O-N 2.89Å; Y1584-P1591 HydrophobicContact CE1-CB 4.18Å; Y1584-Y1632 AromaticContact CD2-CD1 3.83Å; Y1584-Y1632 HydrophobicContact CD2-CD1 3.83Å; Y1584-Y1632 AromaticContact CD2-CD2 3.76Å; Y1584-Y1632 HydrophobicContact CD2-CD2 3.76Å; Y1584-Y1632 HydrophobicContact CD2-CE1 4.1Å; Y1584-Y1632 HydrophobicContact CD2-CE2 4.02Å; Y1584-Y1632 AromaticContact CD2-CG 3.68Å; Y1584-Y1632 HydrophobicContact CD2-CG 3.68Å; Y1584-Y1632 HydrophobicContact CE2-CD1 4.23Å; Y1584-Y1632 HydrophobicContact CE2-CD2 4.41Å; Y1584-Y1632 HydrophobicContact CE2-CG 4.01Å
1585Y87.7Confident87.4Confident79 Ų7966.3 Ų66.331%0.3135%0.353SS..Hα-helixtrans-78.7-3.4-178.4-64.3-83.2000113.9V1576 R1578 D1583 P1591V1576-Y1585 VanDerWaalsContact O-CE2 3.3Å; V1576-Y1585 WeakPolarHBondContact O-CE2 3.21Å; V1576-Y1585 PolarHBondContact O-OH 3.44Å; R1578-Y1585 HydrophobicContact CB-CD2 4.02Å; R1578-Y1585 HydrophobicContact CB-CE2 3.85Å; R1578-Y1585 HydrophobicContact CG-CD2 3.92Å; R1578-Y1585 HydrophobicContact CG-CE2 4.29Å; D1583-Y1585 VanDerWaalsContact C-N 3.32Å; D1583-Y1585 PolarHBondContact O-N 3.27Å; Y1585-P1591 HydrophobicContact CD1-CB 4.28Å; Y1585-P1591 HydrophobicContact CD1-CG 4.02Å; Y1585-P1591 HydrophobicContact CE1-CB 3.88Å; Y1585-P1591 HydrophobicContact CE1-CG 3.84Å
1586E82.9Confident87.5Confident147 Ų14765.7 Ų65.769%0.68734%0.344SS*.Hα-helixtrans-87.8-32.8171.1-57.4-176.8176.300110.8D1583 Y1584D1583-E1586 WeakPolarHBondContact O-CB 3.4Å; D1583-E1586 PolarHBondContact O-N 3.31Å; Y1584-E1586 PolarHBondContact O-N 3.26Å
1587I81.1Confident87.8Confident84 Ų8463.7 Ų63.743%0.43133%0.332SS..Hα-helixtrans-90.2-46179.5-63.9166.3000111.1D1583 Y1584 Y1632D1583-I1587 PolarHBondContact O-N 3.18Å; Y1584-I1587 PolarHBondContact O-N 3.22Å; I1587-Y1632 HydrophobicContact CB-CD2 4.18Å; I1587-Y1632 HydrophobicContact CD1-CD2 3.97Å; I1587-Y1632 HydrophobicContact CD1-CE2 3.81Å; I1587-Y1632 HydrophobicContact CG2-CD2 4.25Å
1588I89Confident88.2Confident3 Ų365.6 Ų65.62%0.01533%0.334CS..  trans-93.1110.6-178.2-57.7-55.3000110.2Y1584 P1591 N1628 L1631 Y1632Y1584-I1588 HydrophobicContact CD1-CB 4.43Å; Y1584-I1588 HydrophobicContact CD2-CG1 4.11Å; Y1584-I1588 HydrophobicContact CE1-CB 4.04Å; Y1584-I1588 HydrophobicContact CE1-CG1 4.27Å; Y1584-I1588 HydrophobicContact CE1-CG2 4.17Å; Y1584-I1588 HydrophobicContact CE2-CB 4.36Å; Y1584-I1588 HydrophobicContact CE2-CG1 3.68Å; Y1584-I1588 WeakPolarHBondContact O-CB 3.33Å; Y1584-I1588 PolarHBondContact O-N 2.89Å; I1588-P1591 HydrophobicContact CG2-CB 4.34Å; I1588-N1628 HydrophobicContact CD1-CB 4.16Å; I1588-N1628 HydrophobicContact CG2-CB 4.04Å; I1588-L1631 HydrophobicContact CD1-CB 4.12Å; I1588-L1631 HydrophobicContact CD1-CD2 3.84Å; I1588-L1631 HydrophobicContact CD1-CG 4.15Å; I1588-Y1632 HydrophobicContact CG1-CD2 4.46Å
1589T84Confident88.5Confident125 Ų12561.9 Ų61.977%0.76733%0.325SS*.SBendtrans-83.7-32.7-175.453.20000113.8P1591T1589-P1591 VanDerWaalsContact C-CD 3.45Å; T1589-P1591 VanDerWaalsContact O-CD 3.31Å; T1589-P1591 WeakPolarHBondContact O-CD 3.47Å
1590D86.9Confident89.5Confident84 Ų8459.6 Ų59.645%0.44930%0.303SS..SBendtrans-118.972.9178-167.331.9000111.1I1592 N1628D1590-I1592 PolarHBondContact O-N 3.44Å; D1590-N1628 PolarHBondContact O-ND2 3.4Å
1591P91.7Very high89.9Confident39 Ų3952.8 Ų52.825%0.25327%0.271SS..  trans-67129.3-178.428.5-35.3000110.6Y1584 Y1585 I1588 T1589 M1596Y1584-P1591 HydrophobicContact CE1-CB 4.18Å; Y1585-P1591 HydrophobicContact CD1-CB 4.28Å; Y1585-P1591 HydrophobicContact CD1-CG 4.02Å; Y1585-P1591 HydrophobicContact CE1-CB 3.88Å; Y1585-P1591 HydrophobicContact CE1-CG 3.84Å; I1588-P1591 HydrophobicContact CG2-CB 4.34Å; T1589-P1591 VanDerWaalsContact C-CD 3.45Å; T1589-P1591 VanDerWaalsContact O-CD 3.31Å; T1589-P1591 WeakPolarHBondContact O-CD 3.47Å; P1591-M1596 WeakPolarHBondContact O-CE 3.47Å
1592I94.2Very high90Very high10 Ų1055.2 Ų55.25%0.05129%0.29CS..  trans-138.8143.1-179-170.6168.3000110.1D1590 M1597 W1600 D1621 T1624 M1625D1590-I1592 PolarHBondContact O-N 3.44Å; I1592-M1597 HydrophobicContact CD1-CE 4.49Å; I1592-M1597 HydrophobicContact CD1-CG 4.1Å; I1592-M1597 HydrophobicContact CD1-SD 4.41Å; I1592-M1597 HydrophobicContact CG1-CE 4.28Å; I1592-M1597 HydrophobicContact CG1-CG 4.23Å; I1592-W1600 HydrophobicContact CD1-CH2 3.67Å; I1592-W1600 HydrophobicContact CD1-CZ3 3.38Å; I1592-W1600 HydrophobicContact CG1-CH2 3.92Å; I1592-W1600 HydrophobicContact CG1-CZ3 3.96Å; I1592-D1621 HydrophobicContact CD1-CB 3.66Å; I1592-D1621 WeakPolarHBondContact CD1-O 3.46Å; I1592-T1624 HydrophobicContact CG2-CG2 3.99Å; I1592-M1625 HydrophobicContact CG2-CB 3.69Å; I1592-M1625 HydrophobicContact CG2-CG 4.31Å
1593D96Very high90.5Very high6 Ų658.8 Ų58.83%0.03230%0.297CS..  trans-146.7167.7177.772-89.7000111F1572 P1575 S1595 M1596 M1597F1572-D1593 WeakPolarHBondContact O-CB 3.32Å; P1575-D1593 WeakPolarHBondContact CD-OD1 3.47Å; P1575-D1593 VanDerWaalsContact CG-OD1 3.26Å; P1575-D1593 WeakPolarHBondContact CG-OD1 3.3Å; D1593-S1595 VanDerWaalsContact C-N 3.28Å; D1593-S1595 PolarHBondContact O-N 3.21Å; D1593-S1595 WeakPolarHBondContact OD2-CA 3.32Å; D1593-S1595 VanDerWaalsContact OD2-CB 3.23Å; D1593-S1595 WeakPolarHBondContact OD2-CB 3.37Å; D1593-S1595 PolarHBondContact OD2-N 3.46Å; D1593-S1595 PolarHBondContact OD2-OG 2.59Å; D1593-M1596 WeakPolarHBondContact O-CB 3.48Å; D1593-M1596 PolarHBondContact O-N 2.95Å; D1593-M1596 WeakPolarHBondContact OD1-CG 3.21Å; D1593-M1596 PolarHBondContact OD2-N 2.9Å; D1593-M1597 PolarHBondContact O-N 3.24Å
1594L96.7Very high90.6Very high2 Ų256.5 Ų56.51%0.0129%0.29CS..Hα-helixtrans-65.8-27.9-175.8-64.6167.9000113.2L1560 V1563 Y1564 F1572 M1597 R1598 L1622 M1625L1560-L1594 HydrophobicContact CD2-CD2 4.24Å; V1563-L1594 HydrophobicContact CG1-CD1 4.25Å; V1563-L1594 HydrophobicContact CG1-CD2 3.8Å; Y1564-L1594 HydrophobicContact CD2-CB 3.84Å; Y1564-L1594 HydrophobicContact CD2-CD1 4.2Å; Y1564-L1594 HydrophobicContact CE2-CB 4.37Å; F1572-L1594 HydrophobicContact CB-CD1 3.98Å; F1572-L1594 HydrophobicContact CB-CG 4.2Å; F1572-L1594 WeakPolarHBondContact O-CB 3.32Å; F1572-L1594 WeakPolarHBondContact O-CG 3.29Å; F1572-L1594 PolarHBondContact O-N 3.11Å; L1594-M1597 HydrophobicContact CD2-CE 3.75Å; L1594-M1597 HydrophobicContact CG-CE 4.35Å; L1594-M1597 PolarHBondContact O-N 3.04Å; L1594-R1598 WeakPolarHBondContact O-CB 3.5Å; L1594-R1598 PolarHBondContact O-N 2.91Å; L1594-L1622 HydrophobicContact CD2-CD2 4.32Å; L1594-M1625 HydrophobicContact CD2-CE 4.12Å; L1594-M1625 HydrophobicContact CD2-SD 4.01Å; L1594-M1625 HydrophobicContact CG-CE 4.38Å; L1594-M1625 HydrophobicContact CG-SD 3.86Å
1595S94.5Very high90.3Very high25 Ų2560.1 Ų60.118%0.17530%0.304CS..Hα-helixtrans-69.3-40.1174.775.90000111.1R1573 D1593 R1598 D1599R1573-S1595 WeakPolarHBondContact O-CB 3.24Å; D1593-S1595 VanDerWaalsContact C-N 3.28Å; D1593-S1595 PolarHBondContact O-N 3.21Å; D1593-S1595 WeakPolarHBondContact OD2-CA 3.32Å; D1593-S1595 VanDerWaalsContact OD2-CB 3.23Å; D1593-S1595 WeakPolarHBondContact OD2-CB 3.37Å; D1593-S1595 PolarHBondContact OD2-N 3.46Å; D1593-S1595 PolarHBondContact OD2-OG 2.59Å; S1595-R1598 PolarHBondContact O-N 3.43Å; S1595-D1599 WeakPolarHBondContact O-CB 3.39Å; S1595-D1599 PolarHBondContact O-N 2.87Å
1596M95.7Very high90.4Very high55 Ų5556.4 Ų56.427%0.27129%0.289SS..Hα-helixtrans-60.9-45.3173-74.7176.655.100111.5P1591 D1593 R1598 D1599 W1600P1591-M1596 WeakPolarHBondContact O-CE 3.47Å; D1593-M1596 WeakPolarHBondContact O-CB 3.48Å; D1593-M1596 PolarHBondContact O-N 2.95Å; D1593-M1596 WeakPolarHBondContact OD1-CG 3.21Å; D1593-M1596 PolarHBondContact OD2-N 2.9Å; M1596-R1598 PolarHBondContact O-N 3.22Å; M1596-D1599 PolarHBondContact O-N 3.32Å; M1596-W1600 HydrophobicContact CB-CZ2 4.21Å; M1596-W1600 HydrophobicContact CE-CH2 3.83Å; M1596-W1600 HydrophobicContact CE-CZ2 3.36Å; M1596-W1600 WeakPolarHBondContact O-CB 3.38Å; M1596-W1600 PolarHBondContact O-N 3.24Å
1597M95.6Very high90.5Very high0 Ų051.8 Ų51.80%027%0.269CS..Hα-helixtrans-64.3-38.9177.9-70.9-174.8-100.700112.7L1560 I1592 D1593 L1594 W1600 L1601 Y1606 D1621 L1622 M1625L1560-M1597 HydrophobicContact CD1-CB 4.3Å; L1560-M1597 HydrophobicContact CD2-CB 3.93Å; L1560-M1597 HydrophobicContact CD2-SD 4.18Å; I1592-M1597 HydrophobicContact CD1-CE 4.49Å; I1592-M1597 HydrophobicContact CD1-CG 4.1Å; I1592-M1597 HydrophobicContact CD1-SD 4.41Å; I1592-M1597 HydrophobicContact CG1-CE 4.28Å; I1592-M1597 HydrophobicContact CG1-CG 4.23Å; D1593-M1597 PolarHBondContact O-N 3.24Å; L1594-M1597 HydrophobicContact CD2-CE 3.75Å; L1594-M1597 HydrophobicContact CG-CE 4.35Å; L1594-M1597 PolarHBondContact O-N 3.04Å; M1597-W1600 HydrophobicContact CG-CE3 4.15Å; M1597-W1600 HydrophobicContact CG-CZ3 4.25Å; M1597-W1600 WeakPolarHBondContact O-CB 3.4Å; M1597-W1600 PolarHBondContact O-N 3.04Å; M1597-L1601 PolarHBondContact O-N 2.9Å; M1597-Y1606 WeakPolarHBondContact CG-OH 3.36Å; M1597-D1621 HydrophobicContact CG-CB 4.41Å; M1597-D1621 HydrophobicContact SD-CB 4.1Å; M1597-L1622 HydrophobicContact CE-CD2 4.09Å; M1597-L1622 HydrophobicContact SD-CD2 4.03Å; M1597-L1622 HydrophobicContact SD-CG 4.18Å; M1597-M1625 HydrophobicContact CE-CB 4.14Å; M1597-M1625 HydrophobicContact CE-CE 4.19Å; M1597-M1625 HydrophobicContact CE-CG 4.27Å; M1597-M1625 HydrophobicContact CE-SD 3.38Å; M1597-M1625 WeakPolarHBondContact CE-SD 3.49Å
1598R93.4Very high90.7Very high117 Ų11749.3 Ų49.344%0.44226%0.258SS..Hα-helixtrans-66.5-39.8174.8-168.4-179.667.5177.32.4112L1594 S1595 M1596 W1600 L1601 S1602L1594-R1598 WeakPolarHBondContact O-CB 3.5Å; L1594-R1598 PolarHBondContact O-N 2.91Å; S1595-R1598 PolarHBondContact O-N 3.43Å; M1596-R1598 PolarHBondContact O-N 3.22Å; R1598-W1600 VanDerWaalsContact C-N 3.25Å; R1598-W1600 PolarHBondContact O-N 3.24Å; R1598-L1601 PolarHBondContact O-N 2.83Å; R1598-S1602 PolarHBondContact O-N 3.32Å; R1598-S1602 PolarHBondContact O-OG 2.77Å
1599D92.4Very high90.2Very high76 Ų7658.5 Ų58.541%0.40630%0.301SS..Hα-helixtrans-66.3-28.4173.1-80.39.9000112.4S1595 M1596 S1602 K1603S1595-D1599 WeakPolarHBondContact O-CB 3.39Å; S1595-D1599 PolarHBondContact O-N 2.87Å; M1596-D1599 PolarHBondContact O-N 3.32Å; D1599-S1602 PolarHBondContact O-OG 3.11Å; D1599-K1603 VanDerWaalsContact O-CD 3.3Å; D1599-K1603 WeakPolarHBondContact O-CD 3.44Å; D1599-K1603 VanDerWaalsContact O-CG 3.22Å; D1599-K1603 WeakPolarHBondContact O-CG 3.43Å; D1599-K1603 PolarHBondContact O-N 3.24Å
1600W94.5Very high90.1Very high44 Ų4456.2 Ų56.217%0.16729%0.287CS..Hα-helixtrans-77.7-37174.3-67-17.1000112.3I1592 M1596 M1597 R1598 K1603 G1604 R1605 Y1606 D1621I1592-W1600 HydrophobicContact CD1-CH2 3.67Å; I1592-W1600 HydrophobicContact CD1-CZ3 3.38Å; I1592-W1600 HydrophobicContact CG1-CH2 3.92Å; I1592-W1600 HydrophobicContact CG1-CZ3 3.96Å; M1596-W1600 HydrophobicContact CB-CZ2 4.21Å; M1596-W1600 HydrophobicContact CE-CH2 3.83Å; M1596-W1600 HydrophobicContact CE-CZ2 3.36Å; M1596-W1600 WeakPolarHBondContact O-CB 3.38Å; M1596-W1600 PolarHBondContact O-N 3.24Å; M1597-W1600 HydrophobicContact CG-CE3 4.15Å; M1597-W1600 HydrophobicContact CG-CZ3 4.25Å; M1597-W1600 WeakPolarHBondContact O-CB 3.4Å; M1597-W1600 PolarHBondContact O-N 3.04Å; R1598-W1600 VanDerWaalsContact C-N 3.25Å; R1598-W1600 PolarHBondContact O-N 3.24Å; W1600-K1603 CarbonylContact O-C 3.47Å; W1600-K1603 PolarHBondContact O-N 2.95Å; W1600-G1604 PolarHBondContact O-N 3.37Å; W1600-G1604 VanDerWaalsContact O-N 3.14Å; W1600-R1605 HydrophobicContact CB-CB 3.82Å; W1600-R1605 HydrophobicContact CB-CG 4.36Å; W1600-R1605 VanDerWaalsContact CE3-CZ 3.5Å; W1600-R1605 VanDerWaalsContact CH2-NH1 3.27Å; W1600-R1605 WeakPolarHBondContact O-CB 3.47Å; W1600-R1605 PolarHBondContact O-N 3.26Å; W1600-Y1606 HydrophobicContact CB-CE2 4.33Å; W1600-D1621 HydrophobicContact CZ3-CB 4.42Å; W1600-D1621 WeakPolarHBondContact CZ3-OD2 3.25Å
1601L89.2Confident89.9Confident11 Ų1154 Ų546%0.05828%0.276CS..Hα-helixtrans-60.9-44.6172.3-18074.1000111.2Q1553 C1556 S1557 L1560 M1597 R1598 K1603 G1604 Y1606Q1553-L1601 HydrophobicContact CG-CD1 3.92Å; Q1553-L1601 HydrophobicContact CG-CG 4.4Å; Q1553-L1601 PolarHBondContact NE2-O 2.84Å; C1556-L1601 HydrophobicContact CB-CD1 3.6Å; S1557-L1601 VanDerWaalsContact CA-CD2 3.44Å; L1560-L1601 HydrophobicContact CD1-CB 4.2Å; L1560-L1601 HydrophobicContact CD1-CD2 4.15Å; M1597-L1601 PolarHBondContact O-N 2.9Å; R1598-L1601 PolarHBondContact O-N 2.83Å; L1601-K1603 PolarHBondContact O-N 3.48Å; L1601-G1604 PolarHBondContact O-N 2.66Å; L1601-Y1606 HydrophobicContact CB-CD2 3.95Å; L1601-Y1606 HydrophobicContact CB-CE2 4.09Å; L1601-Y1606 HydrophobicContact CD1-CD2 3.78Å; L1601-Y1606 HydrophobicContact CG-CD2 4.5Å
1602S87.5Confident89.5Confident87 Ų8754 Ų5461%0.60828%0.277SS*.Hα-helixtrans-66.6-26177.164.90000113.2R1598 D1599 G1604R1598-S1602 PolarHBondContact O-N 3.32Å; R1598-S1602 PolarHBondContact O-OG 2.77Å; D1599-S1602 PolarHBondContact O-OG 3.11Å; S1602-G1604 VanDerWaalsContact C-N 3.31Å
1603K89.8Confident89.1Confident155 Ų15555.3 Ų55.367%0.67429%0.289SS*.THydrogen-bonded Turntrans-86.23.6172.2-68.6169.3-170.2155.90113.7D1599 W1600 L1601D1599-K1603 VanDerWaalsContact O-CD 3.3Å; D1599-K1603 WeakPolarHBondContact O-CD 3.44Å; D1599-K1603 VanDerWaalsContact O-CG 3.22Å; D1599-K1603 WeakPolarHBondContact O-CG 3.43Å; D1599-K1603 PolarHBondContact O-N 3.24Å; W1600-K1603 CarbonylContact O-C 3.47Å; W1600-K1603 PolarHBondContact O-N 2.95Å; L1601-K1603 PolarHBondContact O-N 3.48Å
1604G86.4Confident88.7Confident21 Ų2155 Ų5522%0.21629%0.288CS..THydrogen-bonded Turntrans73.820.8177.700000115.5W1600 L1601 S1602 Y1606 N1607W1600-G1604 PolarHBondContact O-N 3.37Å; W1600-G1604 VanDerWaalsContact O-N 3.14Å; L1601-G1604 PolarHBondContact O-N 2.66Å; S1602-G1604 VanDerWaalsContact C-N 3.31Å; G1604-Y1606 PolarHBondContact O-N 2.89Å; G1604-N1607 WeakPolarHBondContact O-CB 3.19Å; G1604-N1607 PolarHBondContact O-N 3Å
1605R87Confident88.4Confident93 Ų9354.9 Ų54.935%0.35129%0.287SS..THydrogen-bonded Turntrans-58.3-32.3179.9-178.3178.1172.7155.6-13.7113.4W1600 D1621W1600-R1605 HydrophobicContact CB-CB 3.82Å; W1600-R1605 HydrophobicContact CB-CG 4.36Å; W1600-R1605 VanDerWaalsContact CE3-CZ 3.5Å; W1600-R1605 VanDerWaalsContact CH2-NH1 3.27Å; W1600-R1605 WeakPolarHBondContact O-CB 3.47Å; W1600-R1605 PolarHBondContact O-N 3.26Å; R1605-D1621 IonicContact CZ-OD2 3.07Å; R1605-D1621 IonicContact NE-OD2 2.69Å; R1605-D1621 PolarHBondContact NE-OD2 2.72Å; R1605-D1621 IonicContact NH2-OD1 3.08Å; R1605-D1621 PolarHBondContact NH2-OD1 3.24Å; R1605-D1621 IonicContact NH2-OD2 3.98Å; R1605-D1621 PolarHBondContact NH2-OD2 3.27Å
1606Y91Very high88.2Confident0 Ų059.9 Ų59.90%031%0.306CS..THydrogen-bonded Turntrans-94.6-0.1179.5-49.8-62000112.7L1560 M1597 W1600 L1601 G1604 T1608 G1614 K1617 L1618 D1621L1560-Y1606 HydrophobicContact CD1-CE2 4.14Å; M1597-Y1606 WeakPolarHBondContact CG-OH 3.36Å; W1600-Y1606 HydrophobicContact CB-CE2 4.33Å; L1601-Y1606 HydrophobicContact CB-CD2 3.95Å; L1601-Y1606 HydrophobicContact CB-CE2 4.09Å; L1601-Y1606 HydrophobicContact CD1-CD2 3.78Å; L1601-Y1606 HydrophobicContact CG-CD2 4.5Å; G1604-Y1606 PolarHBondContact O-N 2.89Å; Y1606-T1608 PolarHBondContact O-N 2.78Å; Y1606-G1614 VanDerWaalsContact O-CA 3.27Å; Y1606-G1614 WeakPolarHBondContact O-CA 3.3Å; Y1606-K1617 HydrophobicContact CD1-CB 3.91Å; Y1606-K1617 HydrophobicContact CE1-CB 4.31Å; Y1606-L1618 HydrophobicContact CD1-CB 4.18Å; Y1606-L1618 HydrophobicContact CE1-CB 4.17Å; Y1606-L1618 HydrophobicContact CE1-CD1 4.3Å; Y1606-L1618 HydrophobicContact CE2-CD1 4.22Å; Y1606-D1621 WeakPolarHBondContact CE1-OD2 3.42Å; Y1606-D1621 PolarHBondContact OH-OD2 2.91Å
1607N84.6Confident88Confident51 Ų5162 Ų6227%0.27331%0.313SS..  trans-79.2110.8173.3-61.512.6000106.8Q1553 G1604Q1553-N1607 WeakPolarHBondContact CB-OD1 3.12Å; Q1553-N1607 WeakPolarHBondContact CG-OD1 3.48Å; Q1553-N1607 PolarHBondContact OE1-ND2 3.35Å; G1604-N1607 WeakPolarHBondContact O-CB 3.19Å; G1604-N1607 PolarHBondContact O-N 3Å
1608T84.4Confident87.9Confident32 Ų3262 Ų6220%0.19631%0.313CS..  trans-133.4167.318049.90000109.3Y1606 T1610 A1613 G1614 K1617Y1606-T1608 PolarHBondContact O-N 2.78Å; T1608-T1610 PolarHBondContact O-N 2.83Å; T1608-T1610 VanDerWaalsContact O-N 3.11Å; T1608-T1610 PolarHBondContact OG1-O 2.86Å; T1608-A1613 HydrophobicContact CG2-CB 4.36Å; T1608-A1613 WeakPolarHBondContact OG1-CB 3.31Å; T1608-G1614 VanDerWaalsContact OG1-CA 3.3Å; T1608-G1614 WeakPolarHBondContact OG1-CA 3.36Å; T1608-G1614 PolarHBondContact OG1-N 3.26Å; T1608-K1617 HydrophobicContact CG2-CD 4.11Å
1609E78.4Confident87.9Confident196 Ų19656.9 Ų56.992%0.91630%0.295SS*.SBendtrans-53.3-33179-66.6168.3-16300113.4
1610T82Confident87.9Confident77 Ų7757 Ų5747%0.47229%0.293SS..SBendtrans-125.1143.5176.761.30000111.5T1608 S1612 A1613 G1614T1608-T1610 PolarHBondContact O-N 2.83Å; T1608-T1610 VanDerWaalsContact O-N 3.11Å; T1608-T1610 PolarHBondContact OG1-O 2.86Å; T1610-S1612 PolarHBondContact O-N 3.11Å; T1610-A1613 PolarHBondContact O-N 3.31Å; T1610-A1613 VanDerWaalsContact O-N 3.11Å; T1610-A1613 WeakPolarHBondContact OG1-CB 3.42Å; T1610-A1613 PolarHBondContact OG1-N 3.09Å; T1610-G1614 PolarHBondContact O-N 2.85Å
1611T82.3Confident87.9Confident37 Ų3755.1 Ų55.123%0.22729%0.286CS..Hα-helixtrans-54.3-38173.4-39.70000112.4D1549 S1552 L1555 A1613 G1614 L1615D1549-T1611 PolarHBondContact OD2-OG1 2.82Å; S1552-T1611 WeakPolarHBondContact OG-CA 3.5Å; S1552-T1611 WeakPolarHBondContact OG-CB 3.45Å; S1552-T1611 PolarHBondContact OG-N 2.62Å; S1552-T1611 PolarHBondContact OG-OG1 3.23Å; L1555-T1611 HydrophobicContact CD2-CG2 4.33Å; T1611-A1613 PolarHBondContact O-N 2.98Å; T1611-G1614 PolarHBondContact O-N 3.41Å; T1611-L1615 HydrophobicContact CG2-CD1 4.18Å; T1611-L1615 WeakPolarHBondContact O-CG 3.44Å; T1611-L1615 PolarHBondContact O-N 3.35Å
1612S84.5Confident88.2Confident40 Ų4054.6 Ų54.628%0.2828%0.284SS..Hα-helixtrans-61.9-42.8177.8-175.70000112.4T1610 G1614 L1615 K1616 V1661T1610-S1612 PolarHBondContact O-N 3.11Å; S1612-G1614 PolarHBondContact O-N 3.26Å; S1612-L1615 PolarHBondContact O-N 3.46Å; S1612-K1616 WeakPolarHBondContact O-CB 3.18Å; S1612-K1616 VanDerWaalsContact O-CG 3.29Å; S1612-K1616 WeakPolarHBondContact O-CG 3.12Å; S1612-K1616 PolarHBondContact O-N 3.47Å; S1612-V1661 WeakPolarHBondContact OG-CG2 3.44Å
1613A84.9Confident88.5Confident36 Ų3650.5 Ų50.530%0.29826%0.255SS..Hα-helixtrans-66.5-36.9178.400000112.5T1608 T1610 T1611 K1616 K1617T1608-A1613 HydrophobicContact CG2-CB 4.36Å; T1608-A1613 WeakPolarHBondContact OG1-CB 3.31Å; T1610-A1613 PolarHBondContact O-N 3.31Å; T1610-A1613 VanDerWaalsContact O-N 3.11Å; T1610-A1613 WeakPolarHBondContact OG1-CB 3.42Å; T1610-A1613 PolarHBondContact OG1-N 3.09Å; T1611-A1613 PolarHBondContact O-N 2.98Å; A1613-K1616 PolarHBondContact O-N 3.22Å; A1613-K1617 PolarHBondContact O-N 3.47Å; A1613-K1617 VanDerWaalsContact O-N 3.16Å
1614G88.3Confident88.7Confident0 Ų043.3 Ų43.30%022%0.224CC..Hα-helixtrans-66.8-45.9177.400000111.5Y1606 T1608 T1610 T1611 S1612 K1616 K1617 L1618Y1606-G1614 VanDerWaalsContact O-CA 3.27Å; Y1606-G1614 WeakPolarHBondContact O-CA 3.3Å; T1608-G1614 VanDerWaalsContact OG1-CA 3.3Å; T1608-G1614 WeakPolarHBondContact OG1-CA 3.36Å; T1608-G1614 PolarHBondContact OG1-N 3.26Å; T1610-G1614 PolarHBondContact O-N 2.85Å; T1611-G1614 PolarHBondContact O-N 3.41Å; S1612-G1614 PolarHBondContact O-N 3.26Å; G1614-K1616 PolarHBondContact O-N 3.16Å; G1614-K1617 WeakPolarHBondContact O-CB 3.24Å; G1614-K1617 PolarHBondContact O-N 2.94Å; G1614-L1618 PolarHBondContact O-N 2.69Å; G1614-L1618 VanDerWaalsContact O-N 3.07Å
1615L90.4Very high89.1Confident0 Ų042.5 Ų42.50%021%0.214CC..Hα-helixtrans-62.2-39.9174.6-71.8170.8000112.3L1555 I1559 T1611 S1612 K1617 L1618 V1619 F1654 T1659 V1661L1555-L1615 HydrophobicContact CD2-CD1 3.75Å; L1555-L1615 HydrophobicContact CD2-CD2 3.98Å; L1555-L1615 HydrophobicContact CD2-CG 4.32Å; I1559-L1615 HydrophobicContact CD1-CD2 3.64Å; T1611-L1615 HydrophobicContact CG2-CD1 4.18Å; T1611-L1615 WeakPolarHBondContact O-CG 3.44Å; T1611-L1615 PolarHBondContact O-N 3.35Å; S1612-L1615 PolarHBondContact O-N 3.46Å; L1615-K1617 VanDerWaalsContact C-N 3.34Å; L1615-K1617 PolarHBondContact O-N 3.37Å; L1615-L1618 WeakPolarHBondContact O-CB 3.46Å; L1615-L1618 PolarHBondContact O-N 3.1Å; L1615-L1618 VanDerWaalsContact O-N 3.14Å; L1615-V1619 WeakPolarHBondContact O-CG2 3.45Å; L1615-V1619 PolarHBondContact O-N 3.45Å; L1615-F1654 HydrophobicContact CB-CE1 4.39Å; L1615-F1654 HydrophobicContact CD2-CE1 4.02Å; L1615-T1659 HydrophobicContact CD1-CG2 4.04Å; L1615-V1661 HydrophobicContact CB-CB 4.18Å; L1615-V1661 HydrophobicContact CB-CG1 3.97Å; L1615-V1661 HydrophobicContact CB-CG2 4.12Å; L1615-V1661 HydrophobicContact CD1-CB 4.37Å; L1615-V1661 HydrophobicContact CD1-CG2 4.36Å
1616K90.2Very high89.5Confident130 Ų13038.1 Ų38.157%0.56520%0.198SC*.Hα-helixtrans-61.2-40.3175.4-76.6175.5-176.7-178.90112.5S1612 A1613 G1614 L1618 V1619 H1620 V1661S1612-K1616 WeakPolarHBondContact O-CB 3.18Å; S1612-K1616 VanDerWaalsContact O-CG 3.29Å; S1612-K1616 WeakPolarHBondContact O-CG 3.12Å; S1612-K1616 PolarHBondContact O-N 3.47Å; A1613-K1616 PolarHBondContact O-N 3.22Å; G1614-K1616 PolarHBondContact O-N 3.16Å; K1616-L1618 VanDerWaalsContact C-N 3.34Å; K1616-V1619 PolarHBondContact O-N 3.13Å; K1616-H1620 PolarHBondContact O-N 2.95Å; K1616-V1661 HydrophobicContact CG-CG1 4.08Å; K1616-V1661 HydrophobicContact CG-CG2 4.35Å
1617K91.1Very high89.6Confident99 Ų9942.1 Ų42.143%0.4321%0.214SC..Hα-helixtrans-63.1-40.7173.1-73.3179.5179176.30111.7Y1606 T1608 A1613 G1614 L1615 H1620 D1621Y1606-K1617 HydrophobicContact CD1-CB 3.91Å; Y1606-K1617 HydrophobicContact CE1-CB 4.31Å; T1608-K1617 HydrophobicContact CG2-CD 4.11Å; A1613-K1617 PolarHBondContact O-N 3.47Å; A1613-K1617 VanDerWaalsContact O-N 3.16Å; G1614-K1617 WeakPolarHBondContact O-CB 3.24Å; G1614-K1617 PolarHBondContact O-N 2.94Å; L1615-K1617 VanDerWaalsContact C-N 3.34Å; L1615-K1617 PolarHBondContact O-N 3.37Å; K1617-H1620 PolarHBondContact O-N 2.98Å; K1617-D1621 PolarHBondContact O-N 2.71Å
1618L93.2Very high90Very high0 Ų040 Ų400%020%0.202CC..Hα-helixtrans-65.6-42.2176.1179.562.8000112.3C1556 I1559 L1560 Y1606 G1614 L1615 K1616 H1620 D1621 L1622 F1654C1556-L1618 HydrophobicContact CB-CD2 4.05Å; I1559-L1618 HydrophobicContact CB-CD2 4.26Å; I1559-L1618 HydrophobicContact CD1-CD2 4.11Å; I1559-L1618 HydrophobicContact CG2-CD2 4.24Å; L1560-L1618 HydrophobicContact CD1-CD1 3.98Å; L1560-L1618 HydrophobicContact CD2-CD1 3.86Å; L1560-L1618 HydrophobicContact CG-CD1 3.87Å; Y1606-L1618 HydrophobicContact CD1-CB 4.18Å; Y1606-L1618 HydrophobicContact CE1-CB 4.17Å; Y1606-L1618 HydrophobicContact CE1-CD1 4.3Å; Y1606-L1618 HydrophobicContact CE2-CD1 4.22Å; G1614-L1618 PolarHBondContact O-N 2.69Å; G1614-L1618 VanDerWaalsContact O-N 3.07Å; L1615-L1618 WeakPolarHBondContact O-CB 3.46Å; L1615-L1618 PolarHBondContact O-N 3.1Å; L1615-L1618 VanDerWaalsContact O-N 3.14Å; K1616-L1618 VanDerWaalsContact C-N 3.34Å; L1618-H1620 VanDerWaalsContact C-N 3.32Å; L1618-H1620 PolarHBondContact O-N 2.83Å; L1618-D1621 PolarHBondContact O-N 2.99Å; L1618-L1622 HydrophobicContact CD1-CD1 4.13Å; L1618-L1622 HydrophobicContact CD1-CG 4.25Å; L1618-L1622 HydrophobicContact CG-CD1 3.94Å; L1618-L1622 HydrophobicContact CG-CG 4.49Å; L1618-L1622 WeakPolarHBondContact O-CB 3.45Å; L1618-L1622 WeakPolarHBondContact O-CG 3.49Å; L1618-L1622 PolarHBondContact O-N 2.83Å; L1618-F1654 HydrophobicContact CD2-CZ 4.31Å; L1618-F1654 HydrophobicContact CG-CZ 4.47Å
1619V93.8Very high90.3Very high10 Ų1038.8 Ų38.86%0.06120%0.196CC..Hα-helixtrans-59.1-44.2175.1169.40000110.8L1615 K1616 G1623 F1654 V1661 Y1663 S1664L1615-V1619 WeakPolarHBondContact O-CG2 3.45Å; L1615-V1619 PolarHBondContact O-N 3.45Å; K1616-V1619 PolarHBondContact O-N 3.13Å; V1619-G1623 PolarHBondContact O-N 3.46Å; V1619-F1654 HydrophobicContact CG2-CD1 4.04Å; V1619-F1654 HydrophobicContact CG2-CE1 3.37Å; V1619-F1654 HydrophobicContact CG2-CE2 4.05Å; V1619-F1654 HydrophobicContact CG2-CZ 3.39Å; V1619-V1661 HydrophobicContact CG2-CG1 4.14Å; V1619-Y1663 HydrophobicContact CB-CD2 4.46Å; V1619-Y1663 HydrophobicContact CG1-CD2 3.9Å; V1619-Y1663 HydrophobicContact CG1-CE2 4.29Å; V1619-Y1663 HydrophobicContact CG1-CG 4.5Å; V1619-Y1663 HydrophobicContact CG2-CD2 4.24Å; V1619-S1664 WeakPolarHBondContact CG1-O 3.45Å
1620H92.4Very high90.8Very high78 Ų7832.7 Ų32.736%0.36117%0.167SC..Hα-helixtrans-59.9-51.7176.2178.3-79.3000111.7K1616 K1617 L1618 L1622 G1623 T1624K1616-H1620 PolarHBondContact O-N 2.95Å; K1617-H1620 PolarHBondContact O-N 2.98Å; L1618-H1620 VanDerWaalsContact C-N 3.32Å; L1618-H1620 PolarHBondContact O-N 2.83Å; H1620-L1622 PolarHBondContact O-N 2.89Å; H1620-G1623 PolarHBondContact O-N 3Å; H1620-G1623 VanDerWaalsContact O-N 3.15Å; H1620-T1624 PolarHBondContact O-N 3.27Å; H1620-T1624 PolarHBondContact O-OG1 2.94Å; H1620-T1624 VanDerWaalsContact O-OG1 3.13Å
1621D94.7Very high91.2Very high5 Ų533.3 Ų33.33%0.02717%0.167CC..Hα-helixtrans-64.1-38.8-178.3-75.8-14.8000112I1592 M1597 W1600 R1605 Y1606 K1617 L1618 M1625I1592-D1621 HydrophobicContact CD1-CB 3.66Å; I1592-D1621 WeakPolarHBondContact CD1-O 3.46Å; M1597-D1621 HydrophobicContact CG-CB 4.41Å; M1597-D1621 HydrophobicContact SD-CB 4.1Å; W1600-D1621 HydrophobicContact CZ3-CB 4.42Å; W1600-D1621 WeakPolarHBondContact CZ3-OD2 3.25Å; R1605-D1621 IonicContact CZ-OD2 3.07Å; R1605-D1621 IonicContact NE-OD2 2.69Å; R1605-D1621 PolarHBondContact NE-OD2 2.72Å; R1605-D1621 IonicContact NH2-OD1 3.08Å; R1605-D1621 PolarHBondContact NH2-OD1 3.24Å; R1605-D1621 IonicContact NH2-OD2 3.98Å; R1605-D1621 PolarHBondContact NH2-OD2 3.27Å; Y1606-D1621 WeakPolarHBondContact CE1-OD2 3.42Å; Y1606-D1621 PolarHBondContact OH-OD2 2.91Å; K1617-D1621 PolarHBondContact O-N 2.71Å; L1618-D1621 PolarHBondContact O-N 2.99Å; D1621-M1625 PolarHBondContact O-N 3.32Å
1622L95.2Very high91.7Very high0 Ų034.3 Ų34.30%017%0.167CC..Hα-helixtrans-64.2-42.9171-75.4166.9000112V1563 L1594 M1597 L1618 H1620 T1624 M1625 F1626 V1650 F1654 Y1663V1563-L1622 HydrophobicContact CG1-CD2 4.46Å; L1594-L1622 HydrophobicContact CD2-CD2 4.32Å; M1597-L1622 HydrophobicContact CE-CD2 4.09Å; M1597-L1622 HydrophobicContact SD-CD2 4.03Å; M1597-L1622 HydrophobicContact SD-CG 4.18Å; L1618-L1622 HydrophobicContact CD1-CD1 4.13Å; L1618-L1622 HydrophobicContact CD1-CG 4.25Å; L1618-L1622 HydrophobicContact CG-CD1 3.94Å; L1618-L1622 HydrophobicContact CG-CG 4.49Å; L1618-L1622 WeakPolarHBondContact O-CB 3.45Å; L1618-L1622 WeakPolarHBondContact O-CG 3.49Å; L1618-L1622 PolarHBondContact O-N 2.83Å; H1620-L1622 PolarHBondContact O-N 2.89Å; L1622-T1624 PolarHBondContact O-N 3.46Å; L1622-M1625 HydrophobicContact CD2-CE 4.12Å; L1622-M1625 WeakPolarHBondContact O-CB 3.26Å; L1622-M1625 PolarHBondContact O-N 3.03Å; L1622-F1626 HydrophobicContact CB-CE2 4.39Å; L1622-F1626 WeakPolarHBondContact O-CD2 3.49Å; L1622-F1626 PolarHBondContact O-N 3.38Å; L1622-V1650 HydrophobicContact CD1-CG1 3.93Å; L1622-F1654 HydrophobicContact CD1-CE2 3.97Å; L1622-F1654 HydrophobicContact CD1-CZ 4.41Å; L1622-Y1663 HydrophobicContact CB-CE2 4.21Å
1623G94.5Very high91.9Very high0 Ų034 Ų340%016%0.162CC..Hα-helixtrans-60-44.9177.700000112.4V1619 H1620 M1625 F1626 Y1627V1619-G1623 PolarHBondContact O-N 3.46Å; H1620-G1623 PolarHBondContact O-N 3Å; H1620-G1623 VanDerWaalsContact O-N 3.15Å; G1623-M1625 VanDerWaalsContact C-N 3.32Å; G1623-M1625 PolarHBondContact O-N 2.94Å; G1623-F1626 PolarHBondContact O-N 3.13Å; G1623-Y1627 WeakPolarHBondContact O-CB 3.31Å; G1623-Y1627 PolarHBondContact O-N 2.97Å
1624T94.1Very high91.9Very high5 Ų534.9 Ų34.93%0.03117%0.17CC..Hα-helixtrans-61.1-39.3175.1-56.60000111.8I1592 H1620 L1622 Y1627 N1628I1592-T1624 HydrophobicContact CG2-CG2 3.99Å; H1620-T1624 PolarHBondContact O-N 3.27Å; H1620-T1624 PolarHBondContact O-OG1 2.94Å; H1620-T1624 VanDerWaalsContact O-OG1 3.13Å; L1622-T1624 PolarHBondContact O-N 3.46Å; T1624-Y1627 PolarHBondContact O-N 2.99Å; T1624-N1628 WeakPolarHBondContact O-CB 3.31Å; T1624-N1628 PolarHBondContact O-N 3.46Å; T1624-N1628 PolarHBondContact O-ND2 3.27Å
1625M95.1Very high91.5Very high3 Ų337.8 Ų37.82%0.01519%0.194CC..Hα-helixtrans-60.9-46.4177.3-173-175.566.900112.3F1572 I1592 L1594 M1597 D1621 L1622 G1623 A1629 L1646F1572-M1625 HydrophobicContact CB-CE 4.26Å; F1572-M1625 HydrophobicContact CB-SD 3.71Å; F1572-M1625 HydrophobicContact CD1-CE 4.24Å; F1572-M1625 HydrophobicContact CD1-CG 3.79Å; F1572-M1625 HydrophobicContact CD1-SD 3.94Å; F1572-M1625 HydrophobicContact CE1-CG 4.46Å; F1572-M1625 HydrophobicContact CG-CE 4.24Å; F1572-M1625 HydrophobicContact CG-SD 4.09Å; I1592-M1625 HydrophobicContact CG2-CB 3.69Å; I1592-M1625 HydrophobicContact CG2-CG 4.31Å; L1594-M1625 HydrophobicContact CD2-CE 4.12Å; L1594-M1625 HydrophobicContact CD2-SD 4.01Å; L1594-M1625 HydrophobicContact CG-CE 4.38Å; L1594-M1625 HydrophobicContact CG-SD 3.86Å; M1597-M1625 HydrophobicContact CE-CB 4.14Å; M1597-M1625 HydrophobicContact CE-CE 4.19Å; M1597-M1625 HydrophobicContact CE-CG 4.27Å; M1597-M1625 HydrophobicContact CE-SD 3.38Å; M1597-M1625 WeakPolarHBondContact CE-SD 3.49Å; D1621-M1625 PolarHBondContact O-N 3.32Å; L1622-M1625 HydrophobicContact CD2-CE 4.12Å; L1622-M1625 WeakPolarHBondContact O-CB 3.26Å; L1622-M1625 PolarHBondContact O-N 3.03Å; G1623-M1625 VanDerWaalsContact C-N 3.32Å; G1623-M1625 PolarHBondContact O-N 2.94Å; M1625-A1629 PolarHBondContact O-N 2.8Å; M1625-L1646 HydrophobicContact CE-CD2 4.44Å
1626F95Very high91.1Very high2 Ų243.6 Ų43.61%0.00923%0.225CC..Hα-helixtrans-71.9-38.6178.8-61.4-60.6000112L1622 G1623 N1628 A1629 E1630 L1646 E1647 V1650 Y1663L1622-F1626 HydrophobicContact CB-CE2 4.39Å; L1622-F1626 WeakPolarHBondContact O-CD2 3.49Å; L1622-F1626 PolarHBondContact O-N 3.38Å; G1623-F1626 PolarHBondContact O-N 3.13Å; F1626-N1628 PolarHBondContact O-N 2.95Å; F1626-A1629 PolarHBondContact O-N 3.29Å; F1626-A1629 VanDerWaalsContact O-N 3.16Å; F1626-E1630 WeakPolarHBondContact O-CG 3.35Å; F1626-E1630 PolarHBondContact O-N 3.14Å; F1626-L1646 HydrophobicContact CE1-CB 3.84Å; F1626-L1646 HydrophobicContact CE1-CD2 3.82Å; F1626-L1646 HydrophobicContact CE1-CG 3.88Å; F1626-L1646 HydrophobicContact CZ-CB 4.21Å; F1626-L1646 HydrophobicContact CZ-CD2 4.12Å; F1626-L1646 HydrophobicContact CZ-CG 3.92Å; F1626-E1647 WeakPolarHBondContact CB-OE2 3.49Å; F1626-E1647 HydrophobicContact CD1-CB 4.09Å; F1626-E1647 HydrophobicContact CD2-CB 3.86Å; F1626-E1647 HydrophobicContact CD2-CG 3.88Å; F1626-E1647 HydrophobicContact CE1-CB 4.05Å; F1626-E1647 HydrophobicContact CE2-CB 3.82Å; F1626-E1647 HydrophobicContact CE2-CG 4.05Å; F1626-E1647 HydrophobicContact CG-CB 4.01Å; F1626-E1647 HydrophobicContact CG-CG 4.34Å; F1626-E1647 HydrophobicContact CZ-CB 3.92Å; F1626-V1650 HydrophobicContact CE2-CB 4.4Å; F1626-V1650 HydrophobicContact CE2-CG2 3.95Å; F1626-V1650 HydrophobicContact CZ-CG2 3.86Å; F1626-Y1663 WeakPolarHBondContact CD2-OH 3.48Å
1627Y92.8Very high91.1Very high83 Ų8338.6 Ų38.633%0.32521%0.206SC..Hα-helixtrans-59.6-45.2174.6177.1-104.1000112G1623 T1624 A1629 E1630 L1631 L1668G1623-Y1627 WeakPolarHBondContact O-CB 3.31Å; G1623-Y1627 PolarHBondContact O-N 2.97Å; T1624-Y1627 PolarHBondContact O-N 2.99Å; Y1627-A1629 PolarHBondContact O-N 3.46Å; Y1627-E1630 PolarHBondContact O-N 2.86Å; Y1627-E1630 VanDerWaalsContact O-N 3.15Å; Y1627-L1631 HydrophobicContact CE1-CD2 4.01Å; Y1627-L1631 WeakPolarHBondContact O-CB 3.45Å; Y1627-L1631 PolarHBondContact O-N 2.79Å; Y1627-L1668 HydrophobicContact CD1-CB 4.47Å; Y1627-L1668 HydrophobicContact CD1-CD1 4.1Å; Y1627-L1668 HydrophobicContact CG-CD1 3.93Å
1628N92.2Very high91Very high7 Ų738.7 Ų38.74%0.03721%0.211CC..Hα-helixtrans-59.7-36.8176.3-74.1-17.3000112.4I1588 D1590 T1624 F1626 Y1632I1588-N1628 HydrophobicContact CD1-CB 4.16Å; I1588-N1628 HydrophobicContact CG2-CB 4.04Å; D1590-N1628 PolarHBondContact O-ND2 3.4Å; T1624-N1628 WeakPolarHBondContact O-CB 3.31Å; T1624-N1628 PolarHBondContact O-N 3.46Å; T1624-N1628 PolarHBondContact O-ND2 3.27Å; F1626-N1628 PolarHBondContact O-N 2.95Å; N1628-Y1632 WeakPolarHBondContact O-CB 3.27Å; N1628-Y1632 PolarHBondContact O-N 3.04Å; N1628-Y1632 VanDerWaalsContact O-N 3.12Å
1629A90.8Very high90.9Very high7 Ų741 Ų416%0.05822%0.223CC..Hα-helixtrans-70.9-3617700000112.8F1572 M1625 F1626 Y1627 N1633F1572-A1629 HydrophobicContact CE1-CB 3.66Å; F1572-A1629 HydrophobicContact CZ-CB 4.09Å; M1625-A1629 PolarHBondContact O-N 2.8Å; F1626-A1629 PolarHBondContact O-N 3.29Å; F1626-A1629 VanDerWaalsContact O-N 3.16Å; Y1627-A1629 PolarHBondContact O-N 3.46Å; A1629-N1633 VanDerWaalsContact O-CB 3.25Å; A1629-N1633 WeakPolarHBondContact O-CB 3.45Å; A1629-N1633 PolarHBondContact O-N 3.33Å; A1629-N1633 PolarHBondContact O-ND2 3.44Å
1630E89.4Confident90.9Very high68 Ų6843.1 Ų43.132%0.31823%0.23SC..Hα-helixtrans-70.6-37.9173.8-68.7179.1-168.500112.9F1626 Y1627 R1665F1626-E1630 WeakPolarHBondContact O-CG 3.35Å; F1626-E1630 PolarHBondContact O-N 3.14Å; Y1627-E1630 PolarHBondContact O-N 2.86Å; Y1627-E1630 VanDerWaalsContact O-N 3.15Å; E1630-R1665 VanDerWaalsContact CD-NH2 3.3Å; E1630-R1665 IonicContact OE1-CZ 3.03Å; E1630-R1665 VanDerWaalsContact OE1-CZ 3.22Å; E1630-R1665 IonicContact OE1-NH1 3.47Å; E1630-R1665 PolarHBondContact OE1-NH1 3.09Å; E1630-R1665 IonicContact OE1-NH2 3.18Å; E1630-R1665 PolarHBondContact OE1-NH2 2.98Å; E1630-R1665 IonicContact OE2-CZ 2.82Å; E1630-R1665 IonicContact OE2-NH1 3.36Å; E1630-R1665 PolarHBondContact OE2-NH1 3.07Å; E1630-R1665 IonicContact OE2-NH2 2.73Å
1631L90Very high90.8Very high89 Ų8942.8 Ų42.847%0.46623%0.23SC..Hα-helixtrans-68.2-39.1-179.6-175.862.9000111.7I1588 Y1627I1588-L1631 HydrophobicContact CD1-CB 4.12Å; I1588-L1631 HydrophobicContact CD1-CD2 3.84Å; I1588-L1631 HydrophobicContact CD1-CG 4.15Å; Y1627-L1631 HydrophobicContact CE1-CD2 4.01Å; Y1627-L1631 WeakPolarHBondContact O-CB 3.45Å; Y1627-L1631 PolarHBondContact O-N 2.79Å
1632Y92.4Very high90.8Very high59 Ų5942.6 Ų42.623%0.23123%0.23CC..Hα-helixtrans-88.1-40.2-178.4-173.5-94000113.5V1581 D1583 Y1584 I1587 I1588 N1628V1581-Y1632 HydrophobicContact CG1-CE1 3.79Å; V1581-Y1632 HydrophobicContact CG1-CE2 4.4Å; V1581-Y1632 VanDerWaalsContact CG1-CZ 3.46Å; V1581-Y1632 WeakPolarHBondContact CG1-OH 3.41Å; D1583-Y1632 PolarHBondContact OD1-OH 3.41Å; Y1584-Y1632 AromaticContact CD2-CD1 3.83Å; Y1584-Y1632 HydrophobicContact CD2-CD1 3.83Å; Y1584-Y1632 AromaticContact CD2-CD2 3.76Å; Y1584-Y1632 HydrophobicContact CD2-CD2 3.76Å; Y1584-Y1632 HydrophobicContact CD2-CE1 4.1Å; Y1584-Y1632 HydrophobicContact CD2-CE2 4.02Å; Y1584-Y1632 AromaticContact CD2-CG 3.68Å; Y1584-Y1632 HydrophobicContact CD2-CG 3.68Å; Y1584-Y1632 HydrophobicContact CE2-CD1 4.23Å; Y1584-Y1632 HydrophobicContact CE2-CD2 4.41Å; Y1584-Y1632 HydrophobicContact CE2-CG 4.01Å; I1587-Y1632 HydrophobicContact CB-CD2 4.18Å; I1587-Y1632 HydrophobicContact CD1-CD2 3.97Å; I1587-Y1632 HydrophobicContact CD1-CE2 3.81Å; I1587-Y1632 HydrophobicContact CG2-CD2 4.25Å; I1588-Y1632 HydrophobicContact CG1-CD2 4.46Å; N1628-Y1632 WeakPolarHBondContact O-CB 3.27Å; N1628-Y1632 PolarHBondContact O-N 3.04Å; N1628-Y1632 VanDerWaalsContact O-N 3.12Å
1633N90Very high90.8Very high32 Ų3242.9 Ų42.917%0.17123%0.232CC..SBendtrans-99.8144.8-172-53.7-80.7000112.5A1629 S1637 W1640A1629-N1633 VanDerWaalsContact O-CB 3.25Å; A1629-N1633 WeakPolarHBondContact O-CB 3.45Å; A1629-N1633 PolarHBondContact O-N 3.33Å; A1629-N1633 PolarHBondContact O-ND2 3.44Å; N1633-S1637 WeakPolarHBondContact CB-OG 3.47Å; N1633-W1640 HydrophobicContact CB-CB 4.45Å
1634A84.8Confident90.7Very high55 Ų5546.8 Ų46.846%0.45525%0.251SS..  trans-65.2149173.300000112.1D1636 S1637 W1640A1634-D1636 WeakPolarHBondContact CB-OD1 3.43Å; A1634-D1636 PolarHBondContact O-N 3.23Å; A1634-S1637 VanDerWaalsContact O-CB 3.29Å; A1634-S1637 WeakPolarHBondContact O-CB 3.47Å; A1634-S1637 PolarHBondContact O-N 2.92Å; A1634-S1637 PolarHBondContact O-OG 3.08Å; A1634-W1640 WeakPolarHBondContact O-CB 3.46Å
1635A80.1Confident90.7Very high61 Ų6150.6 Ų50.650%0.50427%0.268SS..THydrogen-bonded Turntrans-60.5-18.9-17500000115.2W1640A1635-W1640 HydrophobicContact CB-CD2 4.16Å; A1635-W1640 HydrophobicContact CB-CZ2 4.2Å
1636D81.7Confident90.8Very high123 Ų12350.4 Ų50.466%0.65827%0.267SS*.THydrogen-bonded Turntrans-98.3-1.7177.762.8-24.5000113.6A1634A1634-D1636 WeakPolarHBondContact CB-OD1 3.43Å; A1634-D1636 PolarHBondContact O-N 3.23Å
1637S88.9Confident90.8Very high24 Ų2450.9 Ų50.917%0.16827%0.27CS..SBendtrans-68.1151176.669.30000111.6N1633 A1634 I1639 W1640 L1641N1633-S1637 WeakPolarHBondContact CB-OG 3.47Å; A1634-S1637 VanDerWaalsContact O-CB 3.29Å; A1634-S1637 WeakPolarHBondContact O-CB 3.47Å; A1634-S1637 PolarHBondContact O-N 2.92Å; A1634-S1637 PolarHBondContact O-OG 3.08Å; S1637-I1639 PolarHBondContact O-N 3.35Å; S1637-W1640 PolarHBondContact O-N 2.97Å; S1637-W1640 WeakPolarHBondContact OG-CB 3.38Å; S1637-W1640 PolarHBondContact OG-N 3.38Å; S1637-L1641 WeakPolarHBondContact O-CB 3.45Å; S1637-L1641 WeakPolarHBondContact O-CG 3.44Å; S1637-L1641 PolarHBondContact O-N 3.32Å
1638D89.4Confident90.9Very high102 Ų10251.1 Ų51.155%0.54528%0.276SS..Hα-helixtrans-61.2-33.117456.9-19.9000112.6A1642D1638-A1642 WeakPolarHBondContact O-CB 3.3Å; D1638-A1642 PolarHBondContact O-N 3.04Å
1639I91.3Very high91Very high47 Ų4753.1 Ų53.124%0.24129%0.285CS..Hα-helixtrans-68.9-45.2175.2-59.5174.9000111W1570 P1571 F1572 S1637 A1642 G1643W1570-I1639 HydrophobicContact CH2-CG1 4.09Å; P1571-I1639 HydrophobicContact CB-CG1 4.24Å; P1571-I1639 HydrophobicContact CB-CG2 3.93Å; P1571-I1639 HydrophobicContact CG-CG1 4.33Å; P1571-I1639 HydrophobicContact CG-CG2 4.26Å; F1572-I1639 HydrophobicContact CZ-CG2 4.49Å; S1637-I1639 PolarHBondContact O-N 3.35Å; I1639-A1642 PolarHBondContact O-N 3.39Å; I1639-G1643 PolarHBondContact O-N 3.5Å
1640W93.1Very high91.2Very high56 Ų5652.8 Ų52.821%0.21228%0.282CS..Hα-helixtrans-63-48.9177.4-171.2104.4000111.3N1633 A1634 A1635 S1637 A1642 G1643 E1644N1633-W1640 HydrophobicContact CB-CB 4.45Å; A1634-W1640 WeakPolarHBondContact O-CB 3.46Å; A1635-W1640 HydrophobicContact CB-CD2 4.16Å; A1635-W1640 HydrophobicContact CB-CZ2 4.2Å; S1637-W1640 PolarHBondContact O-N 2.97Å; S1637-W1640 WeakPolarHBondContact OG-CB 3.38Å; S1637-W1640 PolarHBondContact OG-N 3.38Å; W1640-A1642 VanDerWaalsContact C-N 3.29Å; W1640-A1642 PolarHBondContact O-N 2.97Å; W1640-G1643 WeakPolarHBondContact O-CA 3.23Å; W1640-G1643 PolarHBondContact O-N 3.42Å; W1640-E1644 HydrophobicContact CE3-CB 4.39Å; W1640-E1644 HydrophobicContact CZ3-CB 4.1Å; W1640-E1644 HydrophobicContact CZ3-CG 4.38Å; W1640-E1644 WeakPolarHBondContact CZ3-OE2 3.4Å; W1640-E1644 PolarHBondContact O-N 3.36Å
1641L91.5Very high91.4Very high70 Ų7054.1 Ų54.137%0.36629%0.287SS..Hα-helixtrans-63.6-34.6177.6-69168.8000112.3S1637 Q1645S1637-L1641 WeakPolarHBondContact O-CB 3.45Å; S1637-L1641 WeakPolarHBondContact O-CG 3.44Å; S1637-L1641 PolarHBondContact O-N 3.32Å; L1641-Q1645 WeakPolarHBondContact O-CG 3.33Å; L1641-Q1645 PolarHBondContact O-N 3.03Å; L1641-Q1645 VanDerWaalsContact O-N 3.12Å
1642A93.5Very high91.4Very high2 Ų252 Ų522%0.01728%0.279CS..Hα-helixtrans-67.7-40.7172.200000111.5H1568 P1571 D1638 I1639 W1640 Q1645 L1646H1568-A1642 HydrophobicContact CB-CB 4.02Å; H1568-A1642 WeakPolarHBondContact CB-O 3.33Å; P1571-A1642 HydrophobicContact CG-CB 4.2Å; D1638-A1642 WeakPolarHBondContact O-CB 3.3Å; D1638-A1642 PolarHBondContact O-N 3.04Å; I1639-A1642 PolarHBondContact O-N 3.39Å; W1640-A1642 VanDerWaalsContact C-N 3.29Å; W1640-A1642 PolarHBondContact O-N 2.97Å; A1642-Q1645 PolarHBondContact O-N 2.97Å; A1642-L1646 WeakPolarHBondContact O-CB 3.46Å; A1642-L1646 PolarHBondContact O-N 2.69Å
1643G95.3Very high91.4Very high5 Ų550.9 Ų50.95%0.05228%0.276CS..Hα-helixtrans-57.4-52.2173.500000112I1639 W1640 Q1645 L1646 E1647I1639-G1643 PolarHBondContact O-N 3.5Å; W1640-G1643 WeakPolarHBondContact O-CA 3.23Å; W1640-G1643 PolarHBondContact O-N 3.42Å; G1643-Q1645 PolarHBondContact O-N 3Å; G1643-L1646 PolarHBondContact O-N 2.73Å; G1643-L1646 VanDerWaalsContact O-N 3.15Å; G1643-E1647 WeakPolarHBondContact O-CB 3.4Å; G1643-E1647 PolarHBondContact O-N 3.45Å
1644E92.4Very high91.4Very high82 Ų8249.5 Ų49.538%0.38327%0.269SS..Hα-helixtrans-58.1-46.8177.7-174.5-172.3-152.800111.9W1640 L1646 E1647 N1648W1640-E1644 HydrophobicContact CE3-CB 4.39Å; W1640-E1644 HydrophobicContact CZ3-CB 4.1Å; W1640-E1644 HydrophobicContact CZ3-CG 4.38Å; W1640-E1644 WeakPolarHBondContact CZ3-OE2 3.4Å; W1640-E1644 PolarHBondContact O-N 3.36Å; E1644-L1646 VanDerWaalsContact C-N 3.33Å; E1644-L1646 PolarHBondContact O-N 2.91Å; E1644-E1647 PolarHBondContact O-N 3.17Å; E1644-N1648 PolarHBondContact O-N 3.33Å; E1644-N1648 PolarHBondContact O-ND2 3.09Å
1645Q95Very high91.4Very high85 Ų8551 Ų5140%0.39728%0.28SS..Hα-helixtrans-67-33.2177.7-73.7-168.348.300113.1H1568 L1641 A1642 G1643 F1649H1568-Q1645 HydrophobicContact CB-CB 4.36Å; H1568-Q1645 PolarHBondContact CD2-OE1 3.2Å; H1568-Q1645 VanDerWaalsContact CD2-OE1 3.27Å; H1568-Q1645 PolarHBondContact NE2-OE1 2.99Å; L1641-Q1645 WeakPolarHBondContact O-CG 3.33Å; L1641-Q1645 PolarHBondContact O-N 3.03Å; L1641-Q1645 VanDerWaalsContact O-N 3.12Å; A1642-Q1645 PolarHBondContact O-N 2.97Å; G1643-Q1645 PolarHBondContact O-N 3Å; Q1645-F1649 PolarHBondContact O-N 3.49Å
1646L96.3Very high91.6Very high0 Ų055.5 Ų55.50%029%0.291CS..Hα-helixtrans-74.9-37.1176.8-172.768.5000111.4V1563 H1566 H1568 F1572 M1625 F1626 A1642 G1643 E1644 F1649 V1650V1563-L1646 HydrophobicContact CG1-CD1 4.07Å; V1563-L1646 HydrophobicContact CG1-CD2 4.22Å; V1563-L1646 HydrophobicContact CG1-CG 4.23Å; H1566-L1646 HydrophobicContact CB-CD1 3.59Å; H1566-L1646 WeakPolarHBondContact ND1-CD1 3.31Å; H1568-L1646 HydrophobicContact CB-CB 4.22Å; F1572-L1646 HydrophobicContact CD2-CD2 3.62Å; F1572-L1646 HydrophobicContact CE2-CD2 4.07Å; F1572-L1646 HydrophobicContact CG-CD2 4.34Å; M1625-L1646 HydrophobicContact CE-CD2 4.44Å; F1626-L1646 HydrophobicContact CE1-CB 3.84Å; F1626-L1646 HydrophobicContact CE1-CD2 3.82Å; F1626-L1646 HydrophobicContact CE1-CG 3.88Å; F1626-L1646 HydrophobicContact CZ-CB 4.21Å; F1626-L1646 HydrophobicContact CZ-CD2 4.12Å; F1626-L1646 HydrophobicContact CZ-CG 3.92Å; A1642-L1646 WeakPolarHBondContact O-CB 3.46Å; A1642-L1646 PolarHBondContact O-N 2.69Å; G1643-L1646 PolarHBondContact O-N 2.73Å; G1643-L1646 VanDerWaalsContact O-N 3.15Å; E1644-L1646 VanDerWaalsContact C-N 3.33Å; E1644-L1646 PolarHBondContact O-N 2.91Å; L1646-F1649 HydrophobicContact CD1-CD1 4.48Å; L1646-F1649 CarbonylContact O-C 3.59Å; L1646-F1649 WeakPolarHBondContact O-CB 3.25Å; L1646-F1649 PolarHBondContact O-N 3.31Å; L1646-V1650 WeakPolarHBondContact O-CG2 3.39Å; L1646-V1650 PolarHBondContact O-N 3.04Å
1647E96.2Very high91.5Very high12 Ų1251 Ų516%0.05627%0.267CS..Hα-helixtrans-66.3-40.9175.9-176.9162.2-169.100111.6F1626 G1643 E1644 F1649 V1650 K1651 Y1663 R1665F1626-E1647 WeakPolarHBondContact CB-OE2 3.49Å; F1626-E1647 HydrophobicContact CD1-CB 4.09Å; F1626-E1647 HydrophobicContact CD2-CB 3.86Å; F1626-E1647 HydrophobicContact CD2-CG 3.88Å; F1626-E1647 HydrophobicContact CE1-CB 4.05Å; F1626-E1647 HydrophobicContact CE2-CB 3.82Å; F1626-E1647 HydrophobicContact CE2-CG 4.05Å; F1626-E1647 HydrophobicContact CG-CB 4.01Å; F1626-E1647 HydrophobicContact CG-CG 4.34Å; F1626-E1647 HydrophobicContact CZ-CB 3.92Å; G1643-E1647 WeakPolarHBondContact O-CB 3.4Å; G1643-E1647 PolarHBondContact O-N 3.45Å; E1644-E1647 PolarHBondContact O-N 3.17Å; E1647-F1649 VanDerWaalsContact C-N 3.25Å; E1647-F1649 PolarHBondContact O-N 3.1Å; E1647-V1650 WeakPolarHBondContact O-CB 3.35Å; E1647-V1650 PolarHBondContact O-N 3.34Å; E1647-V1650 VanDerWaalsContact O-N 3.13Å; E1647-K1651 PolarHBondContact O-N 3.42Å; E1647-Y1663 VanDerWaalsContact CD-OH 3.26Å; E1647-Y1663 HydrophobicContact CG-CE1 3.82Å; E1647-Y1663 VanDerWaalsContact OE1-CE1 3.26Å; E1647-Y1663 WeakPolarHBondContact OE1-CE1 3.39Å; E1647-Y1663 PolarHBondContact OE1-OH 3Å; E1647-R1665 IonicContact OE1-CZ 3.04Å; E1647-R1665 IonicContact OE1-NE 2.89Å; E1647-R1665 IonicContact OE1-NH2 3.93Å; E1647-R1665 IonicContact OE2-CZ 2.75Å; E1647-R1665 IonicContact OE2-NE 2.75Å; E1647-R1665 IonicContact OE2-NH1 3.6Å; E1647-R1665 IonicContact OE2-NH2 3.6Å; E1647-R1665 PolarHBondContact OE2-NH2 3.34Å
1648N93.7Very high90.8Very high87 Ų8758.2 Ų58.247%0.46530%0.303SS..Hα-helixtrans-62.1-34.5171.9-73.2-31.2000112.4E1644 S1652E1644-N1648 PolarHBondContact O-N 3.33Å; E1644-N1648 PolarHBondContact O-ND2 3.09Å; N1648-S1652 PolarHBondContact O-N 3.33Å
1649F95.3Very high90.2Very high49 Ų4955.6 Ų55.622%0.21529%0.291CS..Hα-helixtrans-69.3-40.1171.8176.7-101.8000111.9A1562 V1563 H1566 Q1645 L1646 E1647 K1651 S1652 Q1653A1562-F1649 HydrophobicContact CB-CE1 4.3Å; A1562-F1649 HydrophobicContact CB-CZ 4.31Å; V1563-F1649 HydrophobicContact CG2-CE1 4.43Å; H1566-F1649 HydrophobicContact CB-CD1 4.03Å; H1566-F1649 HydrophobicContact CB-CE1 4.05Å; H1566-F1649 AromaticContact CD2-CD1 3.86Å; H1566-F1649 AromaticContact CD2-CD2 3.73Å; H1566-F1649 AromaticContact CD2-CG 3.63Å; H1566-F1649 AromaticContact CG-CD1 3.89Å; H1566-F1649 AromaticContact NE2-CD2 4Å; H1566-F1649 AromaticContact NE2-CG 3.89Å; Q1645-F1649 PolarHBondContact O-N 3.49Å; L1646-F1649 HydrophobicContact CD1-CD1 4.48Å; L1646-F1649 CarbonylContact O-C 3.59Å; L1646-F1649 WeakPolarHBondContact O-CB 3.25Å; L1646-F1649 PolarHBondContact O-N 3.31Å; E1647-F1649 VanDerWaalsContact C-N 3.25Å; E1647-F1649 PolarHBondContact O-N 3.1Å; F1649-K1651 PolarHBondContact O-N 3.18Å; F1649-S1652 PolarHBondContact O-N 3.47Å; F1649-S1652 PolarHBondContact O-OG 2.97Å; F1649-Q1653 HydrophobicContact CD1-CG 4.16Å; F1649-Q1653 HydrophobicContact CE1-CG 3.71Å; F1649-Q1653 HydrophobicContact CE2-CG 4.35Å; F1649-Q1653 HydrophobicContact CZ-CG 3.82Å; F1649-Q1653 WeakPolarHBondContact O-CG 3.46Å; F1649-Q1653 PolarHBondContact O-N 3.15Å
1650V94.9Very high89.6Confident0 Ų061.1 Ų61.10%032%0.321CS..Hα-helixtrans-59.1-47173.6170.30000110.8V1563 L1622 F1626 L1646 E1647 S1652 Q1653 F1654 Y1663V1563-V1650 HydrophobicContact CG1-CG2 4.2Å; V1563-V1650 HydrophobicContact CG2-CG2 3.63Å; L1622-V1650 HydrophobicContact CD1-CG1 3.93Å; F1626-V1650 HydrophobicContact CE2-CB 4.4Å; F1626-V1650 HydrophobicContact CE2-CG2 3.95Å; F1626-V1650 HydrophobicContact CZ-CG2 3.86Å; L1646-V1650 WeakPolarHBondContact O-CG2 3.39Å; L1646-V1650 PolarHBondContact O-N 3.04Å; E1647-V1650 WeakPolarHBondContact O-CB 3.35Å; E1647-V1650 PolarHBondContact O-N 3.34Å; E1647-V1650 VanDerWaalsContact O-N 3.13Å; V1650-S1652 VanDerWaalsContact C-N 3.26Å; V1650-S1652 PolarHBondContact O-N 3.49Å; V1650-Q1653 WeakPolarHBondContact O-CB 3.49Å; V1650-Q1653 PolarHBondContact O-N 3.43Å; V1650-F1654 HydrophobicContact CG1-CD2 3.71Å; V1650-F1654 HydrophobicContact CG1-CE2 3.7Å; V1650-F1654 WeakPolarHBondContact O-CD2 3.41Å; V1650-F1654 PolarHBondContact O-N 2.97Å; V1650-Y1663 HydrophobicContact CG1-CD2 3.43Å; V1650-Y1663 VanDerWaalsContact CG1-CD2 3.43Å; V1650-Y1663 HydrophobicContact CG1-CE2 3.6Å; V1650-Y1663 HydrophobicContact CG1-CG 4.06Å
1651K93.6Very high89.1Confident97 Ų9758.8 Ų58.842%0.42231%0.313SS..Hα-helixtrans-53.3-44.1174.5-75.3173.6-176.7174.70112E1647 F1649 F1654 A1655 Y1663E1647-K1651 PolarHBondContact O-N 3.42Å; F1649-K1651 PolarHBondContact O-N 3.18Å; K1651-F1654 PolarHBondContact O-N 3.36Å; K1651-A1655 WeakPolarHBondContact O-CB 3.45Å; K1651-A1655 PolarHBondContact O-N 3.49Å; K1651-Y1663 HydrophobicContact CD-CD1 4.28Å; K1651-Y1663 HydrophobicContact CG-CD1 3.39Å; K1651-Y1663 HydrophobicContact CG-CE1 3.99Å; K1651-Y1663 HydrophobicContact CG-CG 4.15Å
1652S90.6Very high88.7Confident43 Ų4362.4 Ų62.430%0.30133%0.331SS..Hα-helixtrans-67-40177.179.60000111.8N1648 F1649 V1650 F1654 A1655 H1656N1648-S1652 PolarHBondContact O-N 3.33Å; F1649-S1652 PolarHBondContact O-N 3.47Å; F1649-S1652 PolarHBondContact O-OG 2.97Å; V1650-S1652 VanDerWaalsContact C-N 3.26Å; V1650-S1652 PolarHBondContact O-N 3.49Å; S1652-F1654 PolarHBondContact O-N 3.07Å; S1652-A1655 PolarHBondContact O-N 3.44Å; S1652-H1656 PolarHBondContact O-N 3.47Å; S1652-H1656 VanDerWaalsContact O-N 3.13Å; S1652-H1656 PolarHBondContact O-ND1 3.44Å
1653Q91.4Very high88.4Confident36 Ų3662.9 Ų62.917%0.16833%0.333CS..Hα-helixtrans-58.9-46.5175.6-65.8-52.4-74.700112.1F1649 V1650 A1655 H1656 I1657F1649-Q1653 HydrophobicContact CD1-CG 4.16Å; F1649-Q1653 HydrophobicContact CE1-CG 3.71Å; F1649-Q1653 HydrophobicContact CE2-CG 4.35Å; F1649-Q1653 HydrophobicContact CZ-CG 3.82Å; F1649-Q1653 WeakPolarHBondContact O-CG 3.46Å; F1649-Q1653 PolarHBondContact O-N 3.15Å; V1650-Q1653 WeakPolarHBondContact O-CB 3.49Å; V1650-Q1653 PolarHBondContact O-N 3.43Å; Q1653-A1655 VanDerWaalsContact C-N 3.33Å; Q1653-A1655 PolarHBondContact O-N 3.37Å; Q1653-H1656 PolarHBondContact O-N 3.1Å; Q1653-I1657 WeakPolarHBondContact O-CD1 3.39Å; Q1653-I1657 VanDerWaalsContact O-CG1 3.3Å; Q1653-I1657 WeakPolarHBondContact O-CG1 3.43Å; Q1653-I1657 PolarHBondContact O-N 3.4Å
1654F90.9Very high87.7Confident4 Ų466.7 Ų66.72%0.01836%0.359CS..Hα-helixtrans-65.8-34.3177.3-81.7-88.1000112.7I1559 L1615 L1618 V1619 L1622 V1650 K1651 S1652 H1656 I1657 Y1663I1559-F1654 HydrophobicContact CD1-CE1 4.02Å; I1559-F1654 HydrophobicContact CD1-CE2 4.32Å; I1559-F1654 HydrophobicContact CD1-CZ 3.89Å; I1559-F1654 HydrophobicContact CG2-CE2 4.12Å; I1559-F1654 HydrophobicContact CG2-CZ 4.48Å; L1615-F1654 HydrophobicContact CB-CE1 4.39Å; L1615-F1654 HydrophobicContact CD2-CE1 4.02Å; L1618-F1654 HydrophobicContact CD2-CZ 4.31Å; L1618-F1654 HydrophobicContact CG-CZ 4.47Å; V1619-F1654 HydrophobicContact CG2-CD1 4.04Å; V1619-F1654 HydrophobicContact CG2-CE1 3.37Å; V1619-F1654 HydrophobicContact CG2-CE2 4.05Å; V1619-F1654 HydrophobicContact CG2-CZ 3.39Å; L1622-F1654 HydrophobicContact CD1-CE2 3.97Å; L1622-F1654 HydrophobicContact CD1-CZ 4.41Å; V1650-F1654 HydrophobicContact CG1-CD2 3.71Å; V1650-F1654 HydrophobicContact CG1-CE2 3.7Å; V1650-F1654 WeakPolarHBondContact O-CD2 3.41Å; V1650-F1654 PolarHBondContact O-N 2.97Å; K1651-F1654 PolarHBondContact O-N 3.36Å; S1652-F1654 PolarHBondContact O-N 3.07Å; F1654-H1656 VanDerWaalsContact C-N 3.31Å; F1654-H1656 PolarHBondContact O-N 3.1Å; F1654-I1657 PolarHBondContact O-N 3.06Å; F1654-Y1663 HydrophobicContact CD2-CD2 4.14Å; F1654-Y1663 HydrophobicContact CD2-CG 4.41Å; F1654-Y1663 HydrophobicContact CE2-CD2 4.16Å
1655A85.4Confident86.9Confident85 Ų8565.9 Ų65.970%0.70235%0.352SS*.Hα-helixtrans-68.4-26.4176.500000114K1651 S1652 Q1653 I1657K1651-A1655 WeakPolarHBondContact O-CB 3.45Å; K1651-A1655 PolarHBondContact O-N 3.49Å; S1652-A1655 PolarHBondContact O-N 3.44Å; Q1653-A1655 VanDerWaalsContact C-N 3.33Å; Q1653-A1655 PolarHBondContact O-N 3.37Å; A1655-I1657 VanDerWaalsContact C-N 3.3Å
1656H82.4Confident85Confident157 Ų15764.2 Ų64.273%0.72735%0.349SS*.Hα-helixtrans-82.3-11.9176.8-72.673.9000112.8S1652 Q1653 F1654S1652-H1656 PolarHBondContact O-N 3.47Å; S1652-H1656 VanDerWaalsContact O-N 3.13Å; S1652-H1656 PolarHBondContact O-ND1 3.44Å; Q1653-H1656 PolarHBondContact O-N 3.1Å; F1654-H1656 VanDerWaalsContact C-N 3.31Å; F1654-H1656 PolarHBondContact O-N 3.1Å
1657I80.7Confident82.7Confident29 Ų2968.3 Ų68.315%0.14938%0.383CS..SBendtrans-89.7119.9-179.4-67169.1000107.3L1555 I1559 Q1653 F1654 A1655 T1659L1555-I1657 HydrophobicContact CD2-CD1 4.39Å; L1555-I1657 HydrophobicContact CD2-CG2 3.51Å; L1555-I1657 HydrophobicContact CG-CG2 4.35Å; I1559-I1657 HydrophobicContact CD1-CD1 3.32Å; I1559-I1657 HydrophobicContact CG1-CD1 3.45Å; I1559-I1657 VanDerWaalsContact CG1-CD1 3.45Å; Q1653-I1657 WeakPolarHBondContact O-CD1 3.39Å; Q1653-I1657 VanDerWaalsContact O-CG1 3.3Å; Q1653-I1657 WeakPolarHBondContact O-CG1 3.43Å; Q1653-I1657 PolarHBondContact O-N 3.4Å; F1654-I1657 PolarHBondContact O-N 3.06Å; A1655-I1657 VanDerWaalsContact C-N 3.3Å; I1657-T1659 HydrophobicContact CG2-CG2 3.55Å; I1657-T1659 WeakPolarHBondContact CG2-OG1 3.39Å; I1657-T1659 PolarHBondContact O-N 3.17Å
1658N73.1Confident80.4Confident174 Ų17469.7 Ų69.793%0.9339%0.39SS*.  trans-72.967.3-179.7-164.527.5000111.1
1659T77.8Confident77.7Confident47 Ų4768.7 Ų68.729%0.28840%0.4SS..SBendtrans-139.7152.9179.961.90000110.4L1555 L1615 I1657 V1661L1555-T1659 HydrophobicContact CD2-CG2 4.37Å; L1615-T1659 HydrophobicContact CD1-CG2 4.04Å; I1657-T1659 HydrophobicContact CG2-CG2 3.55Å; I1657-T1659 WeakPolarHBondContact CG2-OG1 3.39Å; I1657-T1659 PolarHBondContact O-N 3.17Å; T1659-V1661 PolarHBondContact O-N 3.47Å
1660D78.8Confident74.7Confident164 Ų16474 Ų7488%0.87743%0.431SS*.SBendtrans-70.94.6178.2-52.2-34.1000114.3
1661V82.6Confident71.7Confident7 Ų780.6 Ų80.64%0.04249%0.485CS..  trans-95.6100.3-178.8-174.10000110S1612 L1615 K1616 V1619 T1659S1612-V1661 WeakPolarHBondContact OG-CG2 3.44Å; L1615-V1661 HydrophobicContact CB-CB 4.18Å; L1615-V1661 HydrophobicContact CB-CG1 3.97Å; L1615-V1661 HydrophobicContact CB-CG2 4.12Å; L1615-V1661 HydrophobicContact CD1-CB 4.37Å; L1615-V1661 HydrophobicContact CD1-CG2 4.36Å; K1616-V1661 HydrophobicContact CG-CG1 4.08Å; K1616-V1661 HydrophobicContact CG-CG2 4.35Å; V1619-V1661 HydrophobicContact CG2-CG1 4.14Å; T1659-V1661 PolarHBondContact O-N 3.47Å
1662I83.7Confident70.6Confident146 Ų14679.8 Ų79.875%0.74949%0.488SS*.  trans-86.8136.8171.7-56.2173.4000108.7S1664I1662-S1664 PolarHBondContact O-N 3.24Å; I1662-S1664 VanDerWaalsContact O-N 3.1Å
1663Y87Confident69.5Low12 Ų1281.7 Ų81.75%0.04750%0.498CS..  trans-64.7113.3169.9179.8-85.2000109.7V1619 L1622 F1626 E1647 V1650 K1651 F1654V1619-Y1663 HydrophobicContact CB-CD2 4.46Å; V1619-Y1663 HydrophobicContact CG1-CD2 3.9Å; V1619-Y1663 HydrophobicContact CG1-CE2 4.29Å; V1619-Y1663 HydrophobicContact CG1-CG 4.5Å; V1619-Y1663 HydrophobicContact CG2-CD2 4.24Å; L1622-Y1663 HydrophobicContact CB-CE2 4.21Å; F1626-Y1663 WeakPolarHBondContact CD2-OH 3.48Å; E1647-Y1663 VanDerWaalsContact CD-OH 3.26Å; E1647-Y1663 HydrophobicContact CG-CE1 3.82Å; E1647-Y1663 VanDerWaalsContact OE1-CE1 3.26Å; E1647-Y1663 WeakPolarHBondContact OE1-CE1 3.39Å; E1647-Y1663 PolarHBondContact OE1-OH 3Å; V1650-Y1663 HydrophobicContact CG1-CD2 3.43Å; V1650-Y1663 VanDerWaalsContact CG1-CD2 3.43Å; V1650-Y1663 HydrophobicContact CG1-CE2 3.6Å; V1650-Y1663 HydrophobicContact CG1-CG 4.06Å; K1651-Y1663 HydrophobicContact CD-CD1 4.28Å; K1651-Y1663 HydrophobicContact CG-CD1 3.39Å; K1651-Y1663 HydrophobicContact CG-CE1 3.99Å; K1651-Y1663 HydrophobicContact CG-CG 4.15Å; F1654-Y1663 HydrophobicContact CD2-CD2 4.14Å; F1654-Y1663 HydrophobicContact CD2-CG 4.41Å; F1654-Y1663 HydrophobicContact CE2-CD2 4.16Å
1664S79.7Confident68.3Low85 Ų8584.2 Ų84.259%0.59452%0.517SS*.  trans-130128.1167.8-176.30000107.6V1619 I1662 P1666V1619-S1664 WeakPolarHBondContact CG1-O 3.45Å; I1662-S1664 PolarHBondContact O-N 3.24Å; I1662-S1664 VanDerWaalsContact O-N 3.1Å; S1664-P1666 VanDerWaalsContact O-CD 3.24Å; S1664-P1666 WeakPolarHBondContact O-CD 3.42Å
1665R75Confident67Low64 Ų6488.9 Ų88.924%0.24255%0.546CS..  trans-69.6117.1176.6-169.9-170-115.2158.812107.2E1630 E1647E1630-R1665 VanDerWaalsContact CD-NH2 3.3Å; E1630-R1665 IonicContact OE1-CZ 3.03Å; E1630-R1665 VanDerWaalsContact OE1-CZ 3.22Å; E1630-R1665 IonicContact OE1-NH1 3.47Å; E1630-R1665 PolarHBondContact OE1-NH1 3.09Å; E1630-R1665 IonicContact OE1-NH2 3.18Å; E1630-R1665 PolarHBondContact OE1-NH2 2.98Å; E1630-R1665 IonicContact OE2-CZ 2.82Å; E1630-R1665 IonicContact OE2-NH1 3.36Å; E1630-R1665 PolarHBondContact OE2-NH1 3.07Å; E1630-R1665 IonicContact OE2-NH2 2.73Å; E1647-R1665 IonicContact OE1-CZ 3.04Å; E1647-R1665 IonicContact OE1-NE 2.89Å; E1647-R1665 IonicContact OE1-NH2 3.93Å; E1647-R1665 IonicContact OE2-CZ 2.75Å; E1647-R1665 IonicContact OE2-NE 2.75Å; E1647-R1665 IonicContact OE2-NH1 3.6Å; E1647-R1665 IonicContact OE2-NH2 3.6Å; E1647-R1665 PolarHBondContact OE2-NH2 3.34Å
1666P55.2Low65.8Low51 Ų5189.2 Ų89.233%0.33154%0.536SS..  trans-63.3142176.5-1629.8000109.6S1664 L1668S1664-P1666 VanDerWaalsContact O-CD 3.24Å; S1664-P1666 WeakPolarHBondContact O-CD 3.42Å; P1666-L1668 VanDerWaalsContact C-N 3.29Å; P1666-L1668 PolarHBondContact O-N 3.48Å
1667A49.7Very low64.7Low86 Ų8684.7 Ų84.771%0.71152%0.523SS*.  trans-64.392170.300000108.7G1669A1667-G1669 PolarHBondContact O-N 3.25Å
1668L46.9Very low63.6Low41 Ų4188.6 Ų88.622%0.21555%0.55CS.*THydrogen-bonded Turntrans-70.78-177.1-81.2154.5000113.3Y1627 P1666Y1627-L1668 HydrophobicContact CD1-CB 4.47Å; Y1627-L1668 HydrophobicContact CD1-CD1 4.1Å; Y1627-L1668 HydrophobicContact CG-CD1 3.93Å; P1666-L1668 VanDerWaalsContact C-N 3.29Å; P1666-L1668 PolarHBondContact O-N 3.48Å
1669G37.2Very low62.8Low66 Ų6682.1 Ų82.168%0.6852%0.521SS*.THydrogen-bonded Turntrans-81.3-19.1177.300000115.2A1667A1667-G1669 PolarHBondContact O-N 3.25Å
1670D32.7Very low61.6Low160 Ų16085 Ų8586%0.85654%0.54SS*.  trans-95.9-3.1-174.8-79.2-20.3000115
1671A30.6Very low60Low138 Ų13877.8 Ų77.8100%1.14151%0.51SS*.  trans-920175.500000111.5

Retrieved 1,671 of 1,671 residues in 339.9 ms (Link to these results)

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