A0A077ZK91_TRITR Loading...

Glutamate synthase

Catalyzes the conversion of L-glutamine and 2-oxoglutarate into two molecules of L-glutamate.

AlphaFold DB , UniProt , Accession A0A077ZK91, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,957 aa.

						>A0A077ZK91_TRITR|A0A077ZK91
MTRKPRRHALSVPVRSGSEVGFPQSLGEVHDMLYDKSLERDNCGFGLIAHIEGEPSHKVVRTAIHALARMQHRGAILADGKTGDGCGLLLQKPDRFFRIVAQERGWRLAKNYAVGMLFLNKDPELAAAARRIVEEELQRETLSIVGWRNVPTNEGVLGEIALSSLPRIEQIFVNAPAGWRPRDMERRLFIARRRIEKRLEADKDFYVCSLSNLVNIYKGLCMPTDLPRFYLDLADLRLESAICLFHQRFSTNTVPRWPLAQPFRYLAHNGEINTITGNRQWARARTYKFQTPLIPDLHDAAPFVNETGSDSSSMDNMLELLLAGGMDIIRAMRLLVPPAWQNNPDMDPELRAFFDFNSMHMEPWDGPAGIVMSDGRFAACNLDRNGLRPARYVITKDKLITCASEVGIWDYQPDEVVEKGRVGPGELMVIDTRSGRILHSAETDDDLKSRHPYKEWMEKNVRRLVPFEDLPDEEVGSRELDDDTLASYQKQFNYSAEELDSVIRVLGENGQEAVGSMGDDTPFAVLSSQPRIIYDYFRQQFAQVTNPPIDPLREAHVMSLATSIGREMNVFCEAEGQAHRLSFKSPILLYSDFKQLTTMKEEHYRADTLDITFDVTKTTLEATVKELCDKAEKMVRSGTVLLVLSDRNIAKDRLPVPAPMAVGAIQTRLVDQSLRCDANIIVETASARDPHHFAVLLGFGATAIYPYLAYETLGRLVDTHAIAKDYRTVMLNYRNGINKGLYKIMSKMGISTIASYRCSKLFEAVGLHDDVVGLCFQGAVSRIGGASFEDFQQDLLNLSKRAWLARKPISQGGLLKYVHGGEYHAYNPDVVRTLQQAVQSGEYSDYQEYAKLVNERPATTLRDLLAITPGENAVNIADVEPASELFKRFDTAAMSIGALSPEAHEALAEAMNSIGGNSNSGEGGEDPARYGTNKVSRIKQVASGRFGVTPAYLVNADVIQIKVAQGAKPGEGGQLPGDKVTPYIAKLRYSVPGVTLISPPPHHDIYSIEDLAQLIFDLKQVNPKAMISVKLVSEPGVGTIATGVAKAYADLITIAGYDGGTGASPLSSVKYAGCPWELGLVETQQALVANGLRHKIRLQVDGGLKTGVDIIKAAILGAESFGFGTGPMVALGCKYLRICHLNNCATGVATQDDKLRKNHYHGLPFKVTNYFEFIARETRELMAQLGVTRLVDLIGRTDLLKELDGFTAKQQKLALSKLLETAEPHPGKALYCTENNPPFDNGLLNAQLLQQAKPFVDERQSKTFWFDIRNTDRSVGASLSGYIAQTHGDQGLAADPIKAYFNGTAGQSFGVWNAGGVELYLTGDANDYVGKGMAGGLIAIRPPVGSAFRSHEASIIGNTCLYGATGGRLYAAGRAGERFGVRNSGAITVVEGIGDNGCEYMTGGIVCILGKTGVNFGAGMTGGFAYVLDESGDFRKRVNPELVEVLSVDALAIHEEHLRGLITEHVQHTGSQRGEEILANWSTFATKFALVKPKSSDRVDPPKKPLKIRKIEFVEIYEPFSEGQAKAQADRCLSCGNPYCEWKCPVHNYIPNWLKLANEGRIFEAAELSHQTNTLPEVCGRVCPQDRLCEGSCTLNDEFGAVTIGNIERYINDKAFEMGWRPDMSGVKQTGKKVAIIGAGPAGLACADVLTRNGVKAVVFDRHPEIGGLLTFGIPAFKLEKEVMTRRREIFTGMGIEFKLNTEVGRDVQLDDLLSDYDAVFLGVGTYQSMHGGLENEDADGVYAALPFLIANTKQLMGFGETRDEPFVSMEGKRVVVLGGGDTAMDCVRTSVRQGAKHVTCAYRRDEENMPGSRREVKNAREEGVEFKFNVQPLGIEVNGNGKVSGVKMVRTEMGEPDAKGRRRAEIVAGSEHIVPADAVIMAFGFRPHNMEWLAKHSVELDSQGRIIAPEGSDNAFQTSNPKIFAGGDIVRGSDLVVTAIAEGRKAADGIMNWLEV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	32.3	Very low	30.9	Very low	238 Å²	238	177.9 Å²	177.9	100%	1.172	87%	0.866	S	S	*	*				0	138.4	0	-72.6	164.7	168.9	0	0	108.3
2	T	34.1	Very low	30.4	Very low	131 Å²	131	173.3 Å²	173.3	80%	0.804	86%	0.856	S	S	*	*			trans	23	142.6	157.5	49.4	0	0	0	0	122.2
3	R	30.3	Very low	30.7	Very low	244 Å²	244	168.6 Å²	168.6	92%	0.921	85%	0.846	S	S	*	*			cis	-174.2	151.9	-22.2	-126.9	-177.6	-174.9	-177.3	1.4	108
4	K	29.9	Very low	30.4	Very low	196 Å²	196	164.7 Å²	164.7	85%	0.852	84%	0.835	S	S	*	*			trans	-88.3	-176.2	168.3	-99.8	-179.2	-178.1	179.1	0	110.6
5	P	43.3	Very low	30.1	Very low	120 Å²	120	168.9 Å²	168.9	78%	0.779	84%	0.837	S	S	*	*			cis	-141.7	-165.1	-19.1	33.3	-8.4	0	0	0	116.7
6	R	28.9	Very low	29.8	Very low	232 Å²	232	165.4 Å²	165.4	88%	0.875	83%	0.834	S	S	*	*			trans	-41	157.6	173.6	-60.2	173.7	169.9	174.7	-4.9	121.1
7	R	30.3	Very low	29.6	Very low	256 Å²	256	160.1 Å²	160.1	97%	0.966	83%	0.83	S	S	*	*			trans	-165.6	165.8	130.6	-109.2	176.8	-175.8	-165.5	0.7	114.7
8	H	25.8	Very low	29.2	Very low	189 Å²	189	157.8 Å²	157.8	88%	0.875	83%	0.831	S	S	*	*			trans	-112.7	174.2	-165.8	-88.5	-77.2	0	0	0	115.6
9	A	28.2	Very low	29.1	Very low	88 Å²	88	159.7 Å²	159.7	73%	0.727	84%	0.835	S	S	*	*			trans	113.5	143.5	154.7	0	0	0	0	0	116.2
10	L	27.2	Very low	28.8	Very low	161 Å²	161	158.1 Å²	158.1	84%	0.843	83%	0.831	S	S	*	*			cis	-165.6	174.7	-4.5	-113.5	169.1	0	0	0	112.5
11	S	29.4	Very low	28.5	Very low	102 Å²	102	153.9 Å²	153.9	71%	0.713	83%	0.826	S	S	*	*			trans	76.6	82.2	157.3	59.4	0	0	0	0	124.7
12	V	25.5	Very low	28	Very low	122 Å²	122	151.7 Å²	151.7	74%	0.739	81%	0.81	S	S	*	*				22.1	140.1	96.2	-153.7	0	0	0	0	116.6	V14	V12-V14 HydrophobicContact CG1-CG2 4.3Å
13	P	33.9	Very low	27.6	Very low	113 Å²	113	151.3 Å²	151.3	73%	0.734	81%	0.81	S	S	*	*				-154.7	148.5	50.6	42.7	-19.9	0	0	0	123.3
14	V	26.7	Very low	27.2	Very low	114 Å²	114	148.3 Å²	148.3	69%	0.691	81%	0.807	S	S	*	*				57.1	135.8	122.1	-174.3	0	0	0	0	118.7	V12	V12-V14 HydrophobicContact CG1-CG2 4.3Å
15	R	25.9	Very low	27	Very low	227 Å²	227	143.9 Å²	143.9	86%	0.857	80%	0.801	S	S	*	*			cis	-154.7	167.5	24.5	-124.6	148.3	-163.9	-166.5	4.2	106.4
16	S	24.7	Very low	26.2	Very low	113 Å²	113	146 Å²	146	79%	0.79	80%	0.804	S	S	*	*			cis	-170.4	155.6	-8.8	25.1	0	0	0	0	109.5
17	G	26.3	Very low	26	Very low	75 Å²	75	137.3 Å²	137.3	77%	0.773	79%	0.787	S	S	*	*			trans	-176.9	119.8	168	0	0	0	0	0	109.5
18	S	23.3	Very low	25.9	Very low	120 Å²	120	133.7 Å²	133.7	84%	0.839	78%	0.781	S	S	*	*			trans	-92.9	97.4	-175.2	51.9	0	0	0	0	110.9
19	E	25.9	Very low	26.4	Very low	194 Å²	194	127.9 Å²	127.9	91%	0.907	76%	0.759	S	S	*	*			trans	-85.9	126.1	162.1	-74.4	-173.3	150.5	0	0	109.7	G21	E19-G21 PolarHBondContact O-N 2.83Å
20	V	24.3	Very low	27.3	Very low	127 Å²	127	131.1 Å²	131.1	77%	0.77	76%	0.759	S	S	*	*			trans	-76.1	110.2	172.6	177.4	0	0	0	0	107.2	F22	V20-F22 PolarHBondContact O-N 3.38Å; V20-F22 VanDerWaalsContact O-N 3.17Å
21	G	22.2	Very low	29.1	Very low	70 Å²	70	128.6 Å²	128.6	72%	0.722	75%	0.746	S	S	*	*			trans	-67	111.4	175.6	0	0	0	0	0	110.7	E19	E19-G21 PolarHBondContact O-N 2.83Å
22	F	22.2	Very low	31.7	Very low	191 Å²	191	125.9 Å²	125.9	84%	0.838	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-61.7	131.9	163.2	-76.6	-93.9	0	0	0	108.9	V20 Q24	V20-F22 PolarHBondContact O-N 3.38Å; V20-F22 VanDerWaalsContact O-N 3.17Å; F22-Q24 PolarHBondContact O-N 3.1Å
23	P	24.6	Very low	34.5	Very low	124 Å²	124	120.7 Å²	120.7	81%	0.805	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-65.2	119	172.1	27	-32	0	0	0	108.7
24	Q	22.8	Very low	36.8	Very low	180 Å²	180	116 Å²	116	84%	0.841	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-60.7	137.6	172.9	-70.3	177.8	-51.1	0	0	109.6	F22	F22-Q24 PolarHBondContact O-N 3.1Å
25	S	24.6	Very low	39.2	Very low	104 Å²	104	114 Å²	114	73%	0.727	64%	0.644	S	S	*	*			trans	22	106	160.1	56.3	0	0	0	0	116.5	G27	S25-G27 PolarHBondContact O-N 3.47Å
26	L	27.3	Very low	41.2	Very low	164 Å²	164	108.1 Å²	108.1	86%	0.859	63%	0.625	S	S	*	*			trans	-46.7	113.3	153.9	-76.9	162.1	0	0	0	107.9
27	G	25.1	Very low	43	Very low	50 Å²	50	106.4 Å²	106.4	52%	0.515	61%	0.613	S	S	.	*			trans	-57	154.6	-170.8	0	0	0	0	0	112.8	S25 V29	S25-G27 PolarHBondContact O-N 3.47Å; G27-V29 VanDerWaalsContact C-N 3.27Å; G27-V29 WeakPolarHBondContact O-CG2 3.48Å; G27-V29 PolarHBondContact O-N 2.85Å
28	E	28.3	Very low	44.5	Very low	180 Å²	180	106 Å²	106	84%	0.841	59%	0.592	S	S	*	*			trans	-66.2	87	173	-66.9	-177.9	142.8	0	0	109.7	H30	E28-H30 VanDerWaalsContact C-N 3.34Å; E28-H30 PolarHBondContact O-N 2.7Å
29	V	35.6	Very low	46.1	Very low	67 Å²	67	102 Å²	102	41%	0.406	56%	0.56	S	S	.	*			trans	-72.3	88.6	175.8	-177.7	0	0	0	0	108.8	G27 M32	G27-V29 VanDerWaalsContact C-N 3.27Å; G27-V29 WeakPolarHBondContact O-CG2 3.48Å; G27-V29 PolarHBondContact O-N 2.85Å; V29-M32 HydrophobicContact CG1-CB 3.89Å; V29-M32 HydrophobicContact CG1-CE 3.7Å; V29-M32 HydrophobicContact CG1-CG 3.57Å; V29-M32 HydrophobicContact CG1-SD 3.77Å; V29-M32 HydrophobicContact CG2-CE 4.37Å
30	H	47.5	Very low	47.6	Very low	156 Å²	156	95.4 Å²	95.4	72%	0.722	53%	0.527	S	S	*	.			trans	-99.8	-10.4	175.9	-91.7	-63	0	0	0	114.8	E28	E28-H30 VanDerWaalsContact C-N 3.34Å; E28-H30 PolarHBondContact O-N 2.7Å
31	D	65.5	Low	49.1	Very low	107 Å²	107	89.5 Å²	89.5	57%	0.572	49%	0.491	S	S	*	.	S	Bend	trans	-108.5	-1.6	-172	-80.6	-42.8	0	0	0	116.8	K1217	D31-K1217 WeakPolarHBondContact O-CG 3.19Å
32	M	82.6	Confident	50.8	Low	45 Å²	45	86.2 Å²	86.2	22%	0.222	46%	0.457	C	S	.	.	S	Bend	trans	-76.3	164	175	-73.3	-169.7	-155.1	0	0	113.2	V29 Q1085 A1222	V29-M32 HydrophobicContact CG1-CB 3.89Å; V29-M32 HydrophobicContact CG1-CE 3.7Å; V29-M32 HydrophobicContact CG1-CG 3.57Å; V29-M32 HydrophobicContact CG1-SD 3.77Å; V29-M32 HydrophobicContact CG2-CE 4.37Å; M32-Q1085 HydrophobicContact SD-CB 4.3Å; M32-Q1085 HydrophobicContact SD-CG 4.28Å; M32-A1222 HydrophobicContact CE-CB 4.1Å; M32-A1222 HydrophobicContact SD-CB 4.24Å
33	L	84.8	Confident	53	Low	13 Å²	13	77.2 Å²	77.2	7%	0.068	42%	0.418	C	S	.	.	S	Bend	trans	-78.3	-30.2	166.4	-72.8	176.4	0	0	0	112.2	D35 R782 L1078 V1081 E1082 K1217 L1218	L33-D35 PolarHBondContact O-N 2.92Å; L33-R782 HydrophobicContact CD2-CB 4.12Å; L33-L1078 HydrophobicContact CD1-CD2 3.91Å; L33-L1078 HydrophobicContact CD2-CD2 4.18Å; L33-V1081 HydrophobicContact CD1-CB 4.07Å; L33-V1081 HydrophobicContact CD1-CG1 3.92Å; L33-E1082 HydrophobicContact CB-CB 4.5Å; L33-K1217 HydrophobicContact CD2-CB 3.8Å; L33-K1217 HydrophobicContact CD2-CD 4.31Å; L33-K1217 HydrophobicContact CG-CB 3.82Å; L33-L1218 HydrophobicContact CD1-CD2 3.72Å; L33-L1218 HydrophobicContact CD1-CG 4.23Å
34	Y	83.6	Confident	55.4	Low	14 Å²	14	71.3 Å²	71.3	6%	0.055	38%	0.379	C	S	.	.			trans	-71.3	105.2	172.7	171.6	-129.7	0	0	0	111.4	K36 A1086 A1089 N1090	Y34-K36 HydrophobicContact CD1-CG 4.35Å; Y34-K36 HydrophobicContact CE1-CG 3.7Å; Y34-A1086 HydrophobicContact CD1-CB 4.17Å; Y34-A1086 HydrophobicContact CD2-CB 3.59Å; Y34-A1086 HydrophobicContact CE1-CB 4.33Å; Y34-A1086 HydrophobicContact CE2-CB 3.81Å; Y34-A1086 HydrophobicContact CG-CB 3.79Å; Y34-A1089 HydrophobicContact CD1-CB 4.28Å; Y34-A1089 HydrophobicContact CE1-CB 4.16Å; Y34-N1090 PolarHBondContact OH-ND2 3.5Å
35	D	75.3	Confident	58.6	Low	73 Å²	73	62.7 Å²	62.7	39%	0.39	34%	0.339	S	S	.	.			trans	-90.4	116.9	171.6	-175	-9.4	0	0	0	111	L33 S37 L38	L33-D35 PolarHBondContact O-N 2.92Å; D35-S37 PolarHBondContact O-N 3.33Å; D35-S37 VanDerWaalsContact OD1-CB 3.25Å; D35-S37 WeakPolarHBondContact OD1-CB 3.31Å; D35-S37 PolarHBondContact OD1-N 2.93Å; D35-S37 PolarHBondContact OD1-OG 2.86Å; D35-S37 PolarHBondContact OD2-OG 3.49Å; D35-L38 HydrophobicContact CB-CD1 4.02Å; D35-L38 HydrophobicContact CB-CG 4.06Å; D35-L38 PolarHBondContact O-N 3.1Å
36	K	68.2	Low	61.8	Low	104 Å²	104	57.8 Å²	57.8	45%	0.452	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-14.7	178.6	-65.1	175	-176.3	170.1	0	113.6	Y34	Y34-K36 HydrophobicContact CD1-CG 4.35Å; Y34-K36 HydrophobicContact CE1-CG 3.7Å
37	S	63.6	Low	65.1	Low	77 Å²	77	50 Å²	50	54%	0.538	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-17.8	179.8	78.1	0	0	0	0	113.7	D35 E39	D35-S37 PolarHBondContact O-N 3.33Å; D35-S37 VanDerWaalsContact OD1-CB 3.25Å; D35-S37 WeakPolarHBondContact OD1-CB 3.31Å; D35-S37 PolarHBondContact OD1-N 2.93Å; D35-S37 PolarHBondContact OD1-OG 2.86Å; D35-S37 PolarHBondContact OD2-OG 3.49Å; S37-E39 PolarHBondContact O-N 3.49Å
38	L	58.1	Low	68.4	Low	67 Å²	67	47.7 Å²	47.7	35%	0.351	24%	0.24	S	C	.	.			trans	-79	52.4	174.9	-60.4	177.7	0	0	0	111.4	D35 T1039	D35-L38 HydrophobicContact CB-CD1 4.02Å; D35-L38 HydrophobicContact CB-CG 4.06Å; D35-L38 PolarHBondContact O-N 3.1Å; L38-T1039 WeakPolarHBondContact O-CB 3.49Å; L38-T1039 WeakPolarHBondContact O-CG2 3.13Å; L38-T1039 PolarHBondContact O-OG1 3.14Å
39	E	56.1	Low	71.7	Confident	36 Å²	36	39.1 Å²	39.1	17%	0.168	20%	0.2	C	C	.	.			trans	-85.6	145.7	176	72.4	-177	143.7	0	0	112.5	S37 R248 N252 L259	S37-E39 PolarHBondContact O-N 3.49Å; E39-R248 IonicContact OE2-NH2 2.7Å; E39-R248 PolarHBondContact OE2-NH2 3Å; E39-N252 WeakPolarHBondContact CB-ND2 3.44Å; E39-N252 PolarHBondContact OE2-ND2 3.15Å; E39-L259 VanDerWaalsContact CD-CD1 3.49Å; E39-L259 WeakPolarHBondContact OE1-CD1 3.35Å; E39-L259 VanDerWaalsContact OE2-CD1 3.26Å; E39-L259 WeakPolarHBondContact OE2-CD1 3.36Å
40	R	56.6	Low	74.6	Confident	55 Å²	55	36.9 Å²	36.9	21%	0.208	19%	0.185	C	C	.	.			trans	-135.4	146.6	178.2	-69.2	-160.2	-177.5	177.4	1.2	111.4	T251 E271 T545	R40-T251 WeakPolarHBondContact CA-OG1 3.29Å; R40-T251 HydrophobicContact CB-CG2 4.4Å; R40-T251 PolarHBondContact N-OG1 3.13Å; R40-T251 WeakPolarHBondContact O-CB 3.46Å; R40-T251 WeakPolarHBondContact O-CG2 3.38Å; R40-T251 PolarHBondContact O-N 2.93Å; R40-T251 PolarHBondContact O-OG1 3.28Å; R40-E271 WeakPolarHBondContact CA-OE2 3.45Å; R40-E271 VanDerWaalsContact CB-OE2 3.24Å; R40-E271 WeakPolarHBondContact CB-OE2 3.4Å; R40-E271 WeakPolarHBondContact CD-OE1 3.45Å; R40-E271 VanDerWaalsContact CG-OE1 3.3Å; R40-E271 WeakPolarHBondContact CG-OE1 3.48Å; R40-E271 IonicContact NE-OE1 2.58Å; R40-T545 HydrophobicContact CB-CG2 3.86Å; R40-T545 WeakPolarHBondContact CD-OG1 2.96Å; R40-T545 HydrophobicContact CG-CG2 4.48Å; R40-T545 PolarHBondContact NH1-OG1 2.81Å
41	D	55.6	Low	76.8	Confident	3 Å²	3	30.1 Å²	30.1	2%	0.016	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	131	-163.2	-69.8	-16.9	0	0	0	112.8	R248 S250 E271	D41-R248 IonicContact OD1-CZ 3.74Å; D41-R248 VanDerWaalsContact OD1-CZ 3.26Å; D41-R248 IonicContact OD1-NE 3.47Å; D41-R248 PolarHBondContact OD1-NE 2.98Å; D41-R248 IonicContact OD1-NH2 2.78Å; D41-R248 PolarHBondContact OD1-NH2 3.39Å; D41-R248 IonicContact OD2-CZ 3.54Å; D41-R248 VanDerWaalsContact OD2-CZ 3.22Å; D41-R248 IonicContact OD2-NE 2.77Å; D41-R248 PolarHBondContact OD2-NE 3.01Å; D41-R248 IonicContact OD2-NH2 2.83Å; D41-R248 PolarHBondContact OD2-NH2 3.44Å; D41-S250 WeakPolarHBondContact OD1-CB 3.41Å; D41-E271 PolarHBondContact N-OE2 3.13Å
42	N	58.5	Low	78.2	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	166.8	166.8	-70.6	-93.8	0	0	0	110.5	F249 G270 T545 I1008 E1009	N42-F249 PolarHBondContact N-O 2.98Å; N42-F249 CarbonylContact O-C 3.54Å; N42-F249 WeakPolarHBondContact O-CA 3.38Å; N42-F249 WeakPolarHBondContact O-CB 3.32Å; N42-F249 PolarHBondContact O-N 3.4Å; N42-G270 WeakPolarHBondContact OD1-CA 3.4Å; N42-T545 PolarHBondContact ND2-O 3.27Å; N42-I1008 HydrophobicContact CB-CG2 4.19Å; N42-E1009 WeakPolarHBondContact CB-OE2 3.44Å
43	C	69.6	Low	78.7	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.007	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	164.8	-144.2	-55.7	0	0	0	0	115.8	R73 H246 Q247 N269 E1009	C43-R73 PolarHBondContact O-NH1 3.05Å; C43-H246 WeakPolarHBondContact CB-NE2 3.48Å; C43-H246 PolarHBondContact SG-CE1 3.41Å; C43-H246 PolarHBondContact SG-NE2 3.07Å; C43-Q247 CarbonylContact C-O 3.5Å; C43-Q247 WeakPolarHBondContact CA-O 3.47Å; C43-Q247 WeakPolarHBondContact CB-O 3.41Å; C43-N269 HydrophobicContact CB-CB 3.9Å; C43-N269 PolarHBondContact N-ND2 2.93Å; C43-N269 PolarHBondContact O-ND2 2.96Å; C43-N269 PolarHBondContact O-OD1 2.77Å; C43-N269 VanDerWaalsContact O-OD1 3.07Å; C43-E1009 PolarHBondContact N-OE1 2.79Å; C43-E1009 VanDerWaalsContact N-OE1 3.07Å; C43-E1009 PolarHBondContact N-OE2 3.18Å; C43-E1009 VanDerWaalsContact O-OE1 3.09Å
44	G	74.6	Confident	79.1	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	136.1	155.5	0	0	0	0	0	110.8	H246 Q247	G44-H246 WeakPolarHBondContact O-CA 3.5Å; G44-Q247 PolarHBondContact N-O 2.88Å; G44-Q247 PolarHBondContact O-N 3.31Å
45	F	89.7	Confident	79.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	159.1	178.9	77.5	-83.5	0	0	0	112.5	N269 V371 P389 A390 A403 S404	F45-N269 HydrophobicContact CB-CB 4.32Å; F45-N269 HydrophobicContact CD1-CB 3.37Å; F45-N269 HydrophobicContact CE1-CB 4.04Å; F45-N269 HydrophobicContact CG-CB 4.19Å; F45-V371 HydrophobicContact CB-CG2 4.46Å; F45-V371 HydrophobicContact CD2-CB 4.21Å; F45-V371 HydrophobicContact CD2-CG1 3.51Å; F45-V371 HydrophobicContact CD2-CG2 3.79Å; F45-V371 HydrophobicContact CE2-CG1 3.58Å; F45-P389 WeakPolarHBondContact CE1-O 3.46Å; F45-A390 HydrophobicContact CZ-CB 4.15Å; F45-A403 WeakPolarHBondContact O-CA 3.4Å; F45-S404 WeakPolarHBondContact CD1-OG 3.46Å; F45-S404 VanDerWaalsContact CE1-OG 3.26Å; F45-S404 WeakPolarHBondContact CE1-OG 3.43Å; F45-S404 PolarHBondContact N-OG 3.27Å; F45-S404 VanDerWaalsContact N-OG 3.11Å; F45-S404 PolarHBondContact O-N 2.77Å; F45-S404 PolarHBondContact O-OG 2.72Å
46	G	92.6	Very high	80.6	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.6	176.2	164.1	0	0	0	0	0	115.1	L244 F245 C402	G46-L244 CarbonylContact O-C 3.53Å; G46-L244 WeakPolarHBondContact O-CA 3.39Å; G46-F245 VanDerWaalsContact CA-CZ 3.48Å; G46-F245 PolarHBondContact N-O 3.05Å; G46-F245 WeakPolarHBondContact O-CD1 3.31Å; G46-F245 PolarHBondContact O-N 3.36Å; G46-C402 CarbonylContact C-O 3.44Å; G46-C402 WeakPolarHBondContact CA-O 3.33Å
47	L	94.7	Very high	81.9	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	132.2	-175.1	158.6	63.4	0	0	0	107.7	A49 I242 C243 L244 V371 A378 T401 C402 I430	L47-A49 HydrophobicContact CD1-CB 4.24Å; L47-I242 HydrophobicContact CD1-CG2 3.91Å; L47-C243 CarbonylContact C-O 3.49Å; L47-C243 WeakPolarHBondContact CA-O 3.5Å; L47-L244 HydrophobicContact CB-CD2 3.98Å; L47-L244 HydrophobicContact CD1-CD2 3.64Å; L47-L244 HydrophobicContact CG-CD2 4.29Å; L47-V371 HydrophobicContact CB-CB 4.15Å; L47-V371 HydrophobicContact CB-CG1 3.9Å; L47-A378 HydrophobicContact CD1-CB 3.66Å; L47-A378 HydrophobicContact CD2-CB 3.83Å; L47-A378 HydrophobicContact CG-CB 4.38Å; L47-T401 CarbonylContact O-C 3.57Å; L47-T401 WeakPolarHBondContact O-CA 3.43Å; L47-C402 HydrophobicContact CB-CB 4.5Å; L47-C402 PolarHBondContact N-O 2.98Å; L47-C402 PolarHBondContact O-N 3.17Å; L47-I430 HydrophobicContact CD2-CD1 4Å
48	I	95.7	Very high	83.3	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.2	161	-68	151.9	0	0	0	108.2	V59 T62 A63 A66 C243 F245 I400 T401	I48-V59 HydrophobicContact CG2-CG1 4.05Å; I48-V59 HydrophobicContact CG2-CG2 4.43Å; I48-T62 HydrophobicContact CD1-CG2 3.78Å; I48-A63 HydrophobicContact CD1-CB 3.96Å; I48-A66 HydrophobicContact CD1-CB 4.42Å; I48-C243 PolarHBondContact N-O 3.36Å; I48-C243 PolarHBondContact O-N 3.04Å; I48-F245 HydrophobicContact CD1-CE1 3.82Å; I48-F245 HydrophobicContact CD1-CZ 4.49Å; I48-F245 HydrophobicContact CG1-CE1 4Å; I48-I400 WeakPolarHBondContact CA-O 3.44Å; I48-T401 HydrophobicContact CD1-CG2 4.46Å; I48-T401 HydrophobicContact CG1-CG2 3.84Å
49	A	96.3	Very high	85.1	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	151.1	173.2	0	0	0	0	0	111.8	L47 A241 I242 A378 L399 I400	L47-A49 HydrophobicContact CD1-CB 4.24Å; A49-A241 CarbonylContact C-O 3.46Å; A49-A241 WeakPolarHBondContact CA-O 3.29Å; A49-I242 HydrophobicContact CB-CG1 4.3Å; A49-A378 HydrophobicContact CB-CB 4.21Å; A49-L399 WeakPolarHBondContact O-CA 3.17Å; A49-I400 HydrophobicContact CB-CG2 4.05Å; A49-I400 PolarHBondContact N-O 3Å; A49-I400 WeakPolarHBondContact O-CG2 3.39Å; A49-I400 PolarHBondContact O-N 3.05Å
50	H	96.7	Very high	86.9	Confident	20 Å²	20	26.7 Å²	26.7	9%	0.093	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	121.7	161.7	-168.4	-84.2	0	0	0	108.7	E52 G53 E54 A241 D397 L399	H50-E52 PolarHBondContact ND1-N 3.35Å; H50-E52 PolarHBondContact O-N 3.01Å; H50-G53 PolarHBondContact ND1-N 3.11Å; H50-G53 PolarHBondContact O-N 2.97Å; H50-E54 PolarHBondContact ND1-N 2.96Å; H50-A241 PolarHBondContact N-O 2.73Å; H50-D397 PolarHBondContact NE2-O 3.11Å; H50-L399 HydrophobicContact CB-CD2 4.1Å
51	I	94.9	Very high	88.7	Confident	14 Å²	14	31.4 Å²	31.4	7%	0.072	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-38.4	-171.7	-66.7	163.3	0	0	0	111.6	I394 K398 I400 T432 G435 I437	I51-I394 HydrophobicContact CD1-CG2 3.89Å; I51-K398 HydrophobicContact CB-CB 4.46Å; I51-K398 VanDerWaalsContact CG1-O 3.32Å; I51-K398 WeakPolarHBondContact CG1-O 3.14Å; I51-K398 PolarHBondContact N-O 3.15Å; I51-I400 HydrophobicContact CD1-CB 4.39Å; I51-I400 HydrophobicContact CG1-CB 4.22Å; I51-I400 HydrophobicContact CG1-CG2 3.97Å; I51-T432 WeakPolarHBondContact O-CA 3.33Å; I51-G435 WeakPolarHBondContact CG2-O 3.47Å; I51-G435 WeakPolarHBondContact O-CA 3.49Å; I51-I437 HydrophobicContact CD1-CD1 3.97Å; I51-I437 HydrophobicContact CG1-CD1 4.35Å
52	E	94.5	Very high	90.5	Very high	118 Å²	118	31.7 Å²	31.7	55%	0.551	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	9	179.8	-59.7	174.8	-159.8	0	0	113.5	H50 E54 T432	H50-E52 PolarHBondContact ND1-N 3.35Å; H50-E52 PolarHBondContact O-N 3.01Å; E52-E54 PolarHBondContact O-N 3.47Å; E52-T432 CarbonylContact C-O 3.51Å
53	G	92.7	Very high	92.2	Very high	20 Å²	20	31.7 Å²	31.7	21%	0.206	16%	0.155	C	C	.	.			trans	75.8	17.2	172	0	0	0	0	0	116.9	H50 P55 A241	H50-G53 PolarHBondContact ND1-N 3.11Å; H50-G53 PolarHBondContact O-N 2.97Å; G53-P55 VanDerWaalsContact O-CD 3.27Å; G53-P55 WeakPolarHBondContact O-CD 3.31Å; G53-A241 WeakPolarHBondContact O-CB 3.18Å
54	E	94.5	Very high	93.3	Very high	132 Å²	132	32.6 Å²	32.6	62%	0.617	16%	0.16	S	C	*	.			trans	-73.3	117.4	175.7	-169.5	172.1	176.4	0	0	111	H50 E52	H50-E54 PolarHBondContact ND1-N 2.96Å; E52-E54 PolarHBondContact O-N 3.47Å
55	P	94.5	Very high	94.1	Very high	61 Å²	61	36.6 Å²	36.6	40%	0.396	18%	0.179	S	C	.	.			trans	-75.7	134.6	-179.6	-15.2	31.5	0	0	0	111.6	G53 E239 A241	G53-P55 VanDerWaalsContact O-CD 3.27Å; G53-P55 WeakPolarHBondContact O-CD 3.31Å; P55-E239 HydrophobicContact CB-CB 4.16Å; P55-A241 HydrophobicContact CB-CB 4.47Å; P55-A241 HydrophobicContact CG-CB 4.34Å
56	S	95.4	Very high	94.2	Very high	30 Å²	30	36.6 Å²	36.6	21%	0.21	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-146.5	156.4	173	71.3	0	0	0	0	112.6	K58 V59 S240	S56-K58 PolarHBondContact O-N 2.87Å; S56-K58 PolarHBondContact OG-N 3.45Å; S56-V59 PolarHBondContact OG-N 2.87Å; S56-S240 PolarHBondContact N-O 3.49Å; S56-S240 VanDerWaalsContact N-O 3.07Å; S56-S240 PolarHBondContact O-N 3.49Å
57	H	95.3	Very high	94.1	Very high	27 Å²	27	36.6 Å²	36.6	13%	0.125	18%	0.179	C	C	.	.	H	α-helix	trans	-73.8	-15.8	169.6	-168.1	79.3	0	0	0	111.8	V60 R61 D235 L238 E239	H57-V60 PolarHBondContact O-N 2.8Å; H57-R61 WeakPolarHBondContact O-CB 3.42Å; H57-R61 PolarHBondContact O-N 3.3Å; H57-D235 PolarHBondContact CE1-O 2.84Å; H57-D235 VanDerWaalsContact CE1-O 3.22Å; H57-D235 PolarHBondContact ND1-O 3.43Å; H57-L238 PolarHBondContact ND1-O 2.83Å; H57-E239 HydrophobicContact CB-CG 4.35Å
58	K	93.6	Very high	93.9	Very high	76 Å²	76	37.5 Å²	37.5	33%	0.33	19%	0.186	S	C	.	.	H	α-helix	trans	-59.1	-47.4	171.9	-175.2	-177.2	175.8	-174.7	0	110.2	S56 V60 R61 T62 D397 L399	S56-K58 PolarHBondContact O-N 2.87Å; S56-K58 PolarHBondContact OG-N 3.45Å; K58-V60 PolarHBondContact O-N 3.02Å; K58-R61 PolarHBondContact O-N 2.83Å; K58-T62 WeakPolarHBondContact O-CB 3.24Å; K58-T62 PolarHBondContact O-N 3.38Å; K58-T62 PolarHBondContact O-OG1 3.2Å; K58-D397 IonicContact NZ-OD2 3.36Å; K58-D397 PolarHBondContact NZ-OD2 3.2Å; K58-L399 HydrophobicContact CD-CD1 4.16Å
59	V	94.9	Very high	93.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-55.1	-50.8	176.5	167.8	0	0	0	0	111.5	I48 S56 T62 A63 S240 C243 L399	I48-V59 HydrophobicContact CG2-CG1 4.05Å; I48-V59 HydrophobicContact CG2-CG2 4.43Å; S56-V59 PolarHBondContact OG-N 2.87Å; V59-T62 PolarHBondContact O-N 3.46Å; V59-A63 WeakPolarHBondContact O-CB 3.27Å; V59-A63 PolarHBondContact O-N 3.36Å; V59-S240 WeakPolarHBondContact CB-O 3.48Å; V59-C243 HydrophobicContact CG1-CB 3.95Å; V59-L399 HydrophobicContact CG2-CD2 3.67Å
60	V	95.1	Very high	93.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-48.7	-178.6	-176.1	0	0	0	0	111.3	H57 K58 T62 A63 I64 L90 L238	H57-V60 PolarHBondContact O-N 2.8Å; K58-V60 PolarHBondContact O-N 3.02Å; V60-T62 PolarHBondContact O-N 2.93Å; V60-A63 PolarHBondContact O-N 2.94Å; V60-I64 HydrophobicContact CG1-CD1 4.05Å; V60-I64 WeakPolarHBondContact O-CG1 3.48Å; V60-I64 PolarHBondContact O-N 2.84Å; V60-L90 HydrophobicContact CG2-CD2 3.99Å; V60-L238 HydrophobicContact CG1-CD2 4.15Å; V60-L238 HydrophobicContact CG2-CD2 4Å
61	R	94	Very high	92.8	Very high	154 Å²	154	39.6 Å²	39.6	58%	0.581	20%	0.195	S	C	*	.	H	α-helix	trans	-62.7	-40.4	179.1	-171.3	-175	68.9	-173.4	1.5	112.2	H57 K58 I64 H65	H57-R61 WeakPolarHBondContact O-CB 3.42Å; H57-R61 PolarHBondContact O-N 3.3Å; K58-R61 PolarHBondContact O-N 2.83Å; R61-I64 PolarHBondContact O-N 3.02Å; R61-H65 PolarHBondContact O-N 2.89Å
62	T	93.4	Very high	92.3	Very high	10 Å²	10	40.7 Å²	40.7	6%	0.061	20%	0.2	C	C	.	.	H	α-helix	trans	-67.3	-38.6	176.7	-60.7	0	0	0	0	111.3	I48 K58 V59 V60 I64 H65 A66 W409	I48-T62 HydrophobicContact CD1-CG2 3.78Å; K58-T62 WeakPolarHBondContact O-CB 3.24Å; K58-T62 PolarHBondContact O-N 3.38Å; K58-T62 PolarHBondContact O-OG1 3.2Å; V59-T62 PolarHBondContact O-N 3.46Å; V60-T62 PolarHBondContact O-N 2.93Å; T62-I64 PolarHBondContact O-N 3.19Å; T62-H65 PolarHBondContact O-N 3.45Å; T62-A66 WeakPolarHBondContact O-CB 3.46Å; T62-A66 PolarHBondContact O-N 3.14Å; T62-W409 HydrophobicContact CG2-CB 3.87Å; T62-W409 HydrophobicContact CG2-CD2 3.44Å; T62-W409 VanDerWaalsContact CG2-CD2 3.44Å; T62-W409 HydrophobicContact CG2-CE3 3.98Å; T62-W409 HydrophobicContact CG2-CG 3.38Å
63	A	93.5	Very high	91.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.3	-39.5	174.6	0	0	0	0	0	113	I48 V59 V60 A66 L67 L88 C243 F245	I48-A63 HydrophobicContact CD1-CB 3.96Å; V59-A63 WeakPolarHBondContact O-CB 3.27Å; V59-A63 PolarHBondContact O-N 3.36Å; V60-A63 PolarHBondContact O-N 2.94Å; A63-A66 PolarHBondContact O-N 3.13Å; A63-L67 VanDerWaalsContact O-CB 3.32Å; A63-L67 WeakPolarHBondContact O-CB 3.47Å; A63-L67 PolarHBondContact O-N 3.26Å; A63-L88 HydrophobicContact CB-CD2 4.37Å; A63-C243 HydrophobicContact CB-CB 3.89Å; A63-C243 WeakPolarHBondContact CB-SG 3.48Å; A63-F245 HydrophobicContact CB-CD1 3.88Å; A63-F245 HydrophobicContact CB-CE1 4.45Å
64	I	92.3	Very high	91.1	Very high	20 Å²	20	34.9 Å²	34.9	10%	0.103	17%	0.169	C	C	.	.	H	α-helix	trans	-63.5	-43.5	173.4	-66.8	159.7	0	0	0	111.1	V60 R61 T62 L67 A68 L88 P227 L233	V60-I64 HydrophobicContact CG1-CD1 4.05Å; V60-I64 WeakPolarHBondContact O-CG1 3.48Å; V60-I64 PolarHBondContact O-N 2.84Å; R61-I64 PolarHBondContact O-N 3.02Å; T62-I64 PolarHBondContact O-N 3.19Å; I64-L67 PolarHBondContact O-N 3.04Å; I64-A68 PolarHBondContact O-N 3.08Å; I64-L88 HydrophobicContact CD1-CD1 4.29Å; I64-L88 HydrophobicContact CG1-CD1 3.77Å; I64-P227 HydrophobicContact CD1-CB 4.23Å; I64-P227 HydrophobicContact CG2-CG 3.86Å; I64-L233 HydrophobicContact CD1-CB 4.34Å
65	H	91.5	Very high	90.2	Very high	85 Å²	85	28.7 Å²	28.7	39%	0.394	14%	0.14	S	C	.	.	H	α-helix	trans	-67.6	-38.4	178.6	-167.1	-151.4	0	0	0	111.9	R61 T62 A68 R69 D410	R61-H65 PolarHBondContact O-N 2.89Å; T62-H65 PolarHBondContact O-N 3.45Å; H65-A68 WeakPolarHBondContact O-CB 3.34Å; H65-A68 PolarHBondContact O-N 3.29Å; H65-R69 PolarHBondContact CE1-NH2 3.44Å; H65-R69 VanDerWaalsContact CE1-NH2 3.32Å; H65-R69 PolarHBondContact O-N 3.11Å; H65-D410 IonicContact CE1-OD2 2.73Å
66	A	92.2	Very high	89.5	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.5	-45.4	173.3	0	0	0	0	0	112.6	I48 T62 A63 A68 R69 M70 F245 I408	I48-A66 HydrophobicContact CD1-CB 4.42Å; T62-A66 WeakPolarHBondContact O-CB 3.46Å; T62-A66 PolarHBondContact O-N 3.14Å; A63-A66 PolarHBondContact O-N 3.13Å; A66-A68 PolarHBondContact O-N 3.48Å; A66-R69 PolarHBondContact O-N 3.35Å; A66-R69 VanDerWaalsContact O-N 3.09Å; A66-M70 PolarHBondContact O-N 3.45Å; A66-F245 HydrophobicContact CB-CD2 4.49Å; A66-F245 HydrophobicContact CB-CE1 4.25Å; A66-F245 HydrophobicContact CB-CE2 3.79Å; A66-F245 HydrophobicContact CB-CZ 3.64Å; A66-I408 WeakPolarHBondContact CA-O 3.16Å; A66-I408 HydrophobicContact CB-CB 4.03Å; A66-I408 HydrophobicContact CB-CD1 3.64Å; A66-I408 HydrophobicContact CB-CG1 4.24Å
67	L	90.4	Very high	88.6	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.4	-38.8	174.6	-173.5	59	0	0	0	111.4	A63 I64 M70 C86 L88 P223 L226 F245 H246 Q247	A63-L67 VanDerWaalsContact O-CB 3.32Å; A63-L67 WeakPolarHBondContact O-CB 3.47Å; A63-L67 PolarHBondContact O-N 3.26Å; I64-L67 PolarHBondContact O-N 3.04Å; L67-M70 HydrophobicContact CD1-CE 4.43Å; L67-M70 PolarHBondContact O-N 2.89Å; L67-C86 HydrophobicContact CD2-CB 4.21Å; L67-L88 HydrophobicContact CD2-CD2 4.19Å; L67-P223 HydrophobicContact CB-CB 4.5Å; L67-P223 HydrophobicContact CG-CB 3.95Å; L67-P223 HydrophobicContact CG-CG 4.21Å; L67-P223 WeakPolarHBondContact O-CB 3.44Å; L67-L226 HydrophobicContact CD2-CD2 3.88Å; L67-F245 HydrophobicContact CB-CB 4.36Å; L67-F245 HydrophobicContact CB-CD2 4.17Å; L67-F245 HydrophobicContact CD1-CB 4.39Å; L67-F245 HydrophobicContact CD1-CD2 4.28Å; L67-H246 VanDerWaalsContact CD1-O 3.31Å; L67-H246 WeakPolarHBondContact CD1-O 3.36Å; L67-Q247 HydrophobicContact CD1-CB 3.84Å
68	A	89.7	Confident	87.4	Confident	20 Å²	20	27.6 Å²	27.6	17%	0.165	14%	0.137	C	C	.	.	H	α-helix	trans	-65.3	-36.5	173.8	0	0	0	0	0	114	I64 H65 A66 M70 Q71 P223 T224	I64-A68 PolarHBondContact O-N 3.08Å; H65-A68 WeakPolarHBondContact O-CB 3.34Å; H65-A68 PolarHBondContact O-N 3.29Å; A66-A68 PolarHBondContact O-N 3.48Å; A68-M70 PolarHBondContact O-N 3.5Å; A68-Q71 WeakPolarHBondContact O-CB 3.39Å; A68-Q71 PolarHBondContact O-N 3.23Å; A68-P223 HydrophobicContact CB-CB 4.2Å; A68-T224 HydrophobicContact CB-CG2 3.51Å
69	R	90	Very high	86.6	Confident	22 Å²	22	26.3 Å²	26.3	8%	0.083	13%	0.134	C	C	.	.	H	α-helix	trans	-74.5	-4.7	176.2	-66.8	-149.8	-172.5	166.9	-5.8	115	H65 A66 H72 G407 I408 D410 N1270	H65-R69 PolarHBondContact CE1-NH2 3.44Å; H65-R69 VanDerWaalsContact CE1-NH2 3.32Å; H65-R69 PolarHBondContact O-N 3.11Å; A66-R69 PolarHBondContact O-N 3.35Å; A66-R69 VanDerWaalsContact O-N 3.09Å; R69-H72 PolarHBondContact O-CE1 3.26Å; R69-H72 PolarHBondContact O-ND1 3.17Å; R69-G407 PolarHBondContact NH1-O 2.71Å; R69-I408 HydrophobicContact CB-CB 4.43Å; R69-I408 HydrophobicContact CB-CG2 4.48Å; R69-I408 VanDerWaalsContact CD-O 3.25Å; R69-I408 WeakPolarHBondContact CD-O 3.45Å; R69-I408 WeakPolarHBondContact CG-O 3.33Å; R69-D410 IonicContact CZ-OD1 2.72Å; R69-D410 IonicContact CZ-OD2 3.34Å; R69-D410 IonicContact NH1-OD1 2.75Å; R69-D410 PolarHBondContact NH1-OD1 3.29Å; R69-D410 IonicContact NH2-OD1 3.17Å; R69-D410 PolarHBondContact NH2-OD1 2.96Å; R69-D410 IonicContact NH2-OD2 3.36Å; R69-D410 PolarHBondContact NH2-OD2 2.99Å; R69-N1270 WeakPolarHBondContact CD-OD1 3.24Å; R69-N1270 PolarHBondContact O-ND2 2.77Å
70	M	88.6	Confident	85.7	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	11	173	-60.4	-169.3	-49.8	0	0	113	A66 L67 A68 H72 R73 F245 I408	A66-M70 PolarHBondContact O-N 3.45Å; L67-M70 HydrophobicContact CD1-CE 4.43Å; L67-M70 PolarHBondContact O-N 2.89Å; A68-M70 PolarHBondContact O-N 3.5Å; M70-H72 PolarHBondContact O-N 2.68Å; M70-H72 VanDerWaalsContact O-N 3.14Å; M70-R73 PolarHBondContact O-N 2.96Å; M70-F245 HydrophobicContact CE-CD2 3.63Å; M70-F245 HydrophobicContact CE-CE2 3.47Å; M70-F245 VanDerWaalsContact CE-CE2 3.47Å; M70-F245 HydrophobicContact SD-CE2 4.25Å; M70-I408 HydrophobicContact CG-CG2 3.95Å; M70-I408 HydrophobicContact SD-CG2 4.43Å
71	Q	86.9	Confident	85.1	Confident	42 Å²	42	34 Å²	34	20%	0.196	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-55.9	-31.5	-179.2	-177.6	-179.1	-48.1	0	0	112.8	A68 R73 G74 M222 F1239	A68-Q71 WeakPolarHBondContact O-CB 3.39Å; A68-Q71 PolarHBondContact O-N 3.23Å; Q71-R73 PolarHBondContact O-N 2.84Å; Q71-G74 PolarHBondContact O-N 2.69Å; Q71-M222 HydrophobicContact CG-CE 3.73Å; Q71-F1239 VanDerWaalsContact NE2-CE1 3.35Å
72	H	85.3	Confident	84.5	Confident	38 Å²	38	26.7 Å²	26.7	18%	0.176	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-68.4	-11.4	176.3	62.4	-87.1	0	0	0	114.6	R69 M70 E405 R1273	R69-H72 PolarHBondContact O-CE1 3.26Å; R69-H72 PolarHBondContact O-ND1 3.17Å; M70-H72 PolarHBondContact O-N 2.68Å; M70-H72 VanDerWaalsContact O-N 3.14Å; H72-E405 IonicContact CD2-OE1 2.7Å; H72-E405 IonicContact CE1-OE1 2.76Å; H72-E405 IonicContact CE1-OE2 3.91Å; H72-E405 PolarHBondContact CE1-OE2 2.78Å; H72-E405 VanDerWaalsContact NE2-CD 3.35Å; H72-E405 IonicContact NE2-OE1 2.71Å; H72-E405 PolarHBondContact NE2-OE1 2.77Å; H72-E405 IonicContact NE2-OE2 3.88Å; H72-E405 PolarHBondContact NE2-OE2 3.3Å; H72-E405 VanDerWaalsContact NE2-OE2 3.11Å; H72-R1273 VanDerWaalsContact CD2-CD 3.49Å; H72-R1273 WeakPolarHBondContact CD2-CD 3.45Å
73	R	83	Confident	84.1	Confident	8 Å²	8	26.3 Å²	26.3	3%	0.03	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-96.4	0.6	171.7	-46.4	-169.3	87.8	-124.8	2.2	113	C43 M70 Q71 N269 S404 E405 E1009 D1010	C43-R73 PolarHBondContact O-NH1 3.05Å; M70-R73 PolarHBondContact O-N 2.96Å; Q71-R73 PolarHBondContact O-N 2.84Å; R73-N269 PolarHBondContact NH1-OD1 3.31Å; R73-S404 PolarHBondContact NH1-OG 2.81Å; R73-E405 WeakPolarHBondContact CD-OE1 3.49Å; R73-E405 IonicContact NE-OE1 3.58Å; R73-E1009 HydrophobicContact CB-CB 4.31Å; R73-E1009 HydrophobicContact CB-CG 4.45Å; R73-E1009 IonicContact NH1-OE1 2.72Å; R73-D1010 IonicContact NH2-OD1 3Å
74	G	78.9	Confident	83.6	Confident	8 Å²	8	26.3 Å²	26.3	8%	0.082	15%	0.152	C	C	.	.	S	Bend	trans	-110.3	164.2	171.9	0	0	0	0	0	111.4	Q71	Q71-G74 PolarHBondContact O-N 2.69Å
75	A	76.2	Confident	83.4	Confident	2 Å²	2	25.3 Å²	25.3	2%	0.017	15%	0.147	C	C	.	.			trans	-99.4	154.7	172	0	0	0	0	0	112.5	D84 F249 K1046	A75-D84 WeakPolarHBondContact CB-OD2 3.34Å; A75-F249 HydrophobicContact CB-CD1 3.78Å; A75-F249 HydrophobicContact CB-CD2 3.97Å; A75-F249 HydrophobicContact CB-CE1 3.71Å; A75-F249 HydrophobicContact CB-CE2 3.89Å; A75-F249 HydrophobicContact CB-CG 3.9Å; A75-F249 HydrophobicContact CB-CZ 3.76Å; A75-K1046 HydrophobicContact CB-CB 4.22Å
76	I	78.8	Confident	83.5	Confident	28 Å²	28	21.3 Å²	21.3	14%	0.144	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-111.2	133.8	170.6	-59.3	162.9	0	0	0	107.5	M222 F1239	I76-M222 HydrophobicContact CD1-CE 3.83Å; I76-M222 HydrophobicContact CG1-CE 3.69Å; I76-M222 HydrophobicContact CG1-SD 4.12Å; I76-F1239 HydrophobicContact CD1-CB 4.24Å; I76-F1239 HydrophobicContact CD1-CD1 3.74Å; I76-F1239 HydrophobicContact CD1-CD2 3.48Å; I76-F1239 VanDerWaalsContact CD1-CD2 3.48Å; I76-F1239 HydrophobicContact CD1-CE1 3.89Å; I76-F1239 HydrophobicContact CD1-CE2 3.63Å; I76-F1239 HydrophobicContact CD1-CG 3.53Å; I76-F1239 HydrophobicContact CD1-CZ 3.84Å
77	L	76.4	Confident	83.6	Confident	9 Å²	9	21.3 Å²	21.3	5%	0.047	13%	0.128	C	C	.	.			trans	-79.7	176.3	-178.8	-63.8	-174.7	0	0	0	112.9	D79 G80 T82 D84 I160 T253 P255	L77-D79 PolarHBondContact O-N 3.13Å; L77-G80 PolarHBondContact O-N 3.07Å; L77-T82 WeakPolarHBondContact CB-O 3.3Å; L77-T82 HydrophobicContact CD1-CG2 3.73Å; L77-T82 HydrophobicContact CG-CG2 4.47Å; L77-T82 WeakPolarHBondContact CG-O 3.22Å; L77-T82 PolarHBondContact N-O 2.92Å; L77-D84 VanDerWaalsContact CD2-OD1 3.26Å; L77-D84 WeakPolarHBondContact CD2-OD1 3.34Å; L77-I160 HydrophobicContact CB-CD1 4.03Å; L77-I160 HydrophobicContact CD1-CD1 4.29Å; L77-I160 HydrophobicContact CD1-CG2 4.18Å; L77-T253 HydrophobicContact CD2-CG2 4.09Å; L77-P255 HydrophobicContact CD1-CB 4.29Å; L77-P255 VanDerWaalsContact CD1-CD 3.45Å; L77-P255 HydrophobicContact CD1-CG 3.51Å
78	A	70.9	Confident	83.9	Confident	57 Å²	57	21.3 Å²	21.3	47%	0.471	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-12.7	-173.5	0	0	0	0	0	115.3
79	D	76.7	Confident	84.2	Confident	50 Å²	50	20.3 Å²	20.3	27%	0.267	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-4.9	175.3	71.2	0.7	0	0	0	113.9	L77 K81 T82 G158 E159 I160	L77-D79 PolarHBondContact O-N 3.13Å; D79-K81 PolarHBondContact O-N 3.46Å; D79-K81 PolarHBondContact OD1-N 3.39Å; D79-T82 WeakPolarHBondContact OD1-CB 3.46Å; D79-T82 PolarHBondContact OD1-N 3.36Å; D79-T82 PolarHBondContact OD1-OG1 2.9Å; D79-T82 WeakPolarHBondContact OD2-CB 3.39Å; D79-T82 PolarHBondContact OD2-OG1 2.96Å; D79-G158 WeakPolarHBondContact OD2-CA 3.44Å; D79-E159 PolarHBondContact OD2-N 2.83Å; D79-I160 HydrophobicContact CB-CD1 4.12Å; D79-I160 HydrophobicContact CB-CG1 4.35Å; D79-I160 PolarHBondContact OD2-N 3.14Å
80	G	75.7	Confident	84.5	Confident	49 Å²	49	19.3 Å²	19.3	51%	0.505	12%	0.116	S	C	.	.	S	Bend	trans	70.8	4.2	179.3	0	0	0	0	0	115.6	L77	L77-G80 PolarHBondContact O-N 3.07Å
81	K	81.8	Confident	84.9	Confident	113 Å²	113	21.1 Å²	21.1	49%	0.491	13%	0.125	S	C	.	.	S	Bend	trans	-128.4	-31.3	-177.2	-75.7	-172.7	173.8	-172.4	0	114	D79 M222	D79-K81 PolarHBondContact O-N 3.46Å; D79-K81 PolarHBondContact OD1-N 3.39Å; K81-M222 WeakPolarHBondContact O-CG 3.47Å
82	T	82.7	Confident	85.3	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.121	C	C	.	.			trans	-85.5	121.6	-178.8	-58.2	0	0	0	0	109.4	L77 D79 G158 I160 A161 L220 P255	L77-T82 WeakPolarHBondContact CB-O 3.3Å; L77-T82 HydrophobicContact CD1-CG2 3.73Å; L77-T82 HydrophobicContact CG-CG2 4.47Å; L77-T82 WeakPolarHBondContact CG-O 3.22Å; L77-T82 PolarHBondContact N-O 2.92Å; D79-T82 WeakPolarHBondContact OD1-CB 3.46Å; D79-T82 PolarHBondContact OD1-N 3.36Å; D79-T82 PolarHBondContact OD1-OG1 2.9Å; D79-T82 WeakPolarHBondContact OD2-CB 3.39Å; D79-T82 PolarHBondContact OD2-OG1 2.96Å; T82-G158 WeakPolarHBondContact OG1-CA 3.42Å; T82-I160 HydrophobicContact CG2-CB 4.38Å; T82-I160 HydrophobicContact CG2-CG2 4.46Å; T82-A161 HydrophobicContact CG2-CB 3.85Å; T82-A161 PolarHBondContact OG1-N 3.19Å; T82-L220 HydrophobicContact CG2-CB 4.38Å; T82-P255 HydrophobicContact CG2-CG 3.99Å
83	G	83.8	Confident	85.8	Confident	1 Å²	1	18.7 Å²	18.7	1%	0.01	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-92.6	158.9	164.6	0	0	0	0	0	111.4	G85	G83-G85 PolarHBondContact O-N 3.4Å
84	D	83.4	Confident	86.3	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-65.3	-13.3	-174.7	-62.7	-27.3	0	0	0	115.2	A75 L77 R248 F249 S250 K1046	A75-D84 WeakPolarHBondContact CB-OD2 3.34Å; L77-D84 VanDerWaalsContact CD2-OD1 3.26Å; L77-D84 WeakPolarHBondContact CD2-OD1 3.34Å; D84-R248 HydrophobicContact CB-CB 4.2Å; D84-R248 HydrophobicContact CB-CG 4.2Å; D84-R248 PolarHBondContact O-NH1 3.23Å; D84-F249 WeakPolarHBondContact OD2-CA 3.48Å; D84-S250 PolarHBondContact OD2-N 3.01Å; D84-S250 PolarHBondContact OD2-OG 2.77Å; D84-K1046 IonicContact OD1-NZ 3.75Å; D84-K1046 PolarHBondContact OD1-NZ 3.38Å; D84-K1046 IonicContact OD2-NZ 2.68Å; D84-K1046 PolarHBondContact OD2-NZ 3.27Å
85	G	88.9	Confident	87.1	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.149	C	C	.	.			trans	144.7	135.9	176.2	0	0	0	0	0	111.9	G83 G219 R248	G83-G85 PolarHBondContact O-N 3.4Å; G85-G219 WeakPolarHBondContact CA-O 3.46Å; G85-R248 WeakPolarHBondContact O-CB 3.31Å; G85-R248 PolarHBondContact O-N 2.97Å
86	C	92.4	Very high	88	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	160.9	170.5	71.7	0	0	0	0	111.3	L67 K218 G219 C221 H246	L67-C86 HydrophobicContact CD2-CB 4.21Å; C86-K218 CarbonylContact O-C 3.52Å; C86-K218 WeakPolarHBondContact O-CA 3.31Å; C86-G219 PolarHBondContact N-O 3.24Å; C86-G219 PolarHBondContact O-N 2.96Å; C86-C221 PolarHBondContact SG-O 3.44Å; C86-H246 VanDerWaalsContact CA-O 3.26Å; C86-H246 WeakPolarHBondContact CA-O 3.36Å
87	G	94.7	Very high	88.9	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.6	174.9	-180	0	0	0	0	0	115.6	Y217 F245 H246 Q261 P262	G87-Y217 CarbonylContact C-O 3.53Å; G87-Y217 WeakPolarHBondContact CA-O 3.05Å; G87-F245 WeakPolarHBondContact O-CA 3.49Å; G87-H246 PolarHBondContact N-O 3.46Å; G87-H246 VanDerWaalsContact N-O 3.1Å; G87-H246 PolarHBondContact O-N 3.2Å; G87-H246 VanDerWaalsContact O-N 3.12Å; G87-Q261 WeakPolarHBondContact CA-O 3.16Å; G87-Q261 PolarHBondContact N-O 3.12Å; G87-P262 VanDerWaalsContact C-CD 3.5Å
88	L	96.3	Very high	89.8	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140.6	177.7	-53.4	176.1	0	0	0	110.4	A63 I64 L67 I216 Y217 L226 L233 L244 F245	A63-L88 HydrophobicContact CB-CD2 4.37Å; I64-L88 HydrophobicContact CD1-CD1 4.29Å; I64-L88 HydrophobicContact CG1-CD1 3.77Å; L67-L88 HydrophobicContact CD2-CD2 4.19Å; L88-I216 WeakPolarHBondContact O-CA 3.5Å; L88-Y217 PolarHBondContact N-O 2.67Å; L88-Y217 PolarHBondContact O-N 2.95Å; L88-L226 HydrophobicContact CD1-CD2 4.4Å; L88-L226 HydrophobicContact CG-CD2 3.97Å; L88-L233 HydrophobicContact CD1-CD1 3.92Å; L88-L233 HydrophobicContact CD1-CD2 3.95Å; L88-L244 CarbonylContact C-O 3.52Å; L88-L244 VanDerWaalsContact CA-O 3.25Å; L88-L244 WeakPolarHBondContact CA-O 3.32Å; L88-F245 HydrophobicContact CD2-CB 3.52Å
89	L	96.7	Very high	91	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	127.3	161.8	178	159.3	0	0	0	107.8	V214 I216 C243 L244 P262 F263 R264	L89-V214 HydrophobicContact CD2-CB 4.02Å; L89-V214 HydrophobicContact CD2-CG1 3.87Å; L89-V214 HydrophobicContact CG-CB 4.27Å; L89-I216 HydrophobicContact CB-CG1 3.99Å; L89-I216 HydrophobicContact CD1-CD1 4.1Å; L89-I216 HydrophobicContact CD1-CG1 4Å; L89-I216 HydrophobicContact CG-CG1 3.93Å; L89-C243 CarbonylContact O-C 3.56Å; L89-C243 VanDerWaalsContact O-CA 3.32Å; L89-C243 WeakPolarHBondContact O-CA 3.41Å; L89-L244 HydrophobicContact CB-CB 4.11Å; L89-L244 HydrophobicContact CB-CD1 4.17Å; L89-L244 HydrophobicContact CB-CG 4.32Å; L89-L244 HydrophobicContact CD1-CD1 4.13Å; L89-L244 HydrophobicContact CD2-CD1 3.92Å; L89-L244 HydrophobicContact CD2-CG 4.11Å; L89-L244 HydrophobicContact CG-CD1 4.31Å; L89-L244 PolarHBondContact N-O 2.71Å; L89-L244 PolarHBondContact O-N 3.44Å; L89-P262 HydrophobicContact CB-CB 3.84Å; L89-P262 HydrophobicContact CB-CG 3.81Å; L89-P262 HydrophobicContact CD1-CB 4.45Å; L89-F263 WeakPolarHBondContact CD1-O 3.49Å; L89-R264 WeakPolarHBondContact CD1-O 3.49Å
90	L	97.3	Very high	91.8	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	143	-177.3	-61.4	164.1	0	0	0	109.5	V60 K92 V214 N215 Y217 L233 L238 I242 C243	V60-L90 HydrophobicContact CG2-CD2 3.99Å; L90-K92 PolarHBondContact O-N 3.2Å; L90-V214 CarbonylContact O-C 3.52Å; L90-V214 VanDerWaalsContact O-CA 3.23Å; L90-V214 WeakPolarHBondContact O-CA 3.46Å; L90-N215 PolarHBondContact N-O 3.29Å; L90-N215 PolarHBondContact O-N 3.03Å; L90-Y217 HydrophobicContact CD1-CD2 4.03Å; L90-Y217 HydrophobicContact CD1-CE2 4.2Å; L90-L233 HydrophobicContact CD1-CD2 4.3Å; L90-L238 HydrophobicContact CD1-CD2 3.81Å; L90-I242 WeakPolarHBondContact CA-O 3.39Å; L90-C243 HydrophobicContact CD2-CB 4.07Å; L90-C243 VanDerWaalsContact CD2-SG 3.55Å
91	Q	96.2	Very high	92.7	Very high	38 Å²	38	24.8 Å²	24.8	18%	0.178	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	135.1	152.1	174.6	-171.9	70.2	0	0	108.2	P93 S240 A241 I242 G375	Q91-P93 VanDerWaalsContact O-CD 3.26Å; Q91-P93 WeakPolarHBondContact O-CD 3.43Å; Q91-S240 PolarHBondContact N-OG 2.88Å; Q91-S240 PolarHBondContact O-OG 2.87Å; Q91-A241 VanDerWaalsContact OE1-CB 3.31Å; Q91-I242 HydrophobicContact CB-CB 4.08Å; Q91-I242 HydrophobicContact CB-CG1 4.46Å; Q91-I242 PolarHBondContact N-O 2.99Å; Q91-I242 VanDerWaalsContact N-O 3.13Å; Q91-G375 PolarHBondContact NE2-O 3.34Å
92	K	95.3	Very high	93.3	Very high	26 Å²	26	26.8 Å²	26.8	11%	0.113	12%	0.119	C	C	.	.			trans	-49.1	114.4	-173	177.7	174.1	72.3	61	0	110.9	L90 D94 F97 Y112 N212 L213 N215	L90-K92 PolarHBondContact O-N 3.2Å; K92-D94 IonicContact NZ-OD1 3.19Å; K92-D94 PolarHBondContact NZ-OD1 2.84Å; K92-D94 PolarHBondContact O-N 2.85Å; K92-F97 HydrophobicContact CG-CD2 4.11Å; K92-F97 HydrophobicContact CG-CE2 4.37Å; K92-Y112 HydrophobicContact CD-CE2 4.35Å; K92-Y112 PolarHBondContact NZ-OH 2.7Å; K92-N212 WeakPolarHBondContact CD-O 3.32Å; K92-N212 WeakPolarHBondContact CE-O 3.47Å; K92-L213 WeakPolarHBondContact CB-O 3.32Å; K92-L213 PolarHBondContact N-O 3.36Å; K92-N215 WeakPolarHBondContact CG-OD1 3.3Å
93	P	95.8	Very high	93.9	Very high	4 Å²	4	32.5 Å²	32.5	3%	0.026	15%	0.146	C	C	.	.			trans	-73.5	76.8	-179.1	30.8	-36.9	0	0	0	110.3	Q91 R95 F96 F97 L238 E239	Q91-P93 VanDerWaalsContact O-CD 3.26Å; Q91-P93 WeakPolarHBondContact O-CD 3.43Å; P93-R95 VanDerWaalsContact C-N 3.31Å; P93-R95 PolarHBondContact O-N 3.04Å; P93-F96 HydrophobicContact CB-CB 4.05Å; P93-F96 PolarHBondContact O-N 3.04Å; P93-F97 HydrophobicContact CG-CD2 3.92Å; P93-F97 HydrophobicContact CG-CE2 3.66Å; P93-F97 HydrophobicContact CG-CZ 4.3Å; P93-F97 PolarHBondContact O-N 3.4Å; P93-L238 HydrophobicContact CB-CG 4.25Å; P93-L238 HydrophobicContact CG-CG 4.33Å; P93-E239 WeakPolarHBondContact CB-O 3.45Å
94	D	94.4	Very high	94.3	Very high	59 Å²	59	37.7 Å²	37.7	32%	0.316	17%	0.165	S	C	.	.	H	α-helix	trans	-57.2	-42.4	-170.9	-173.8	90	0	0	0	111.9	K92 F97 R98 Y112	K92-D94 IonicContact NZ-OD1 3.19Å; K92-D94 PolarHBondContact NZ-OD1 2.84Å; K92-D94 PolarHBondContact O-N 2.85Å; D94-F97 PolarHBondContact O-N 3.1Å; D94-R98 WeakPolarHBondContact O-CB 3.37Å; D94-R98 WeakPolarHBondContact O-CG 3.07Å; D94-R98 PolarHBondContact O-N 3.1Å; D94-R98 IonicContact OD1-CZ 2.77Å; D94-R98 IonicContact OD1-NE 2.96Å; D94-R98 IonicContact OD1-NH2 3.55Å; D94-R98 PolarHBondContact OD1-NH2 2.85Å; D94-R98 IonicContact OD2-CZ 3.98Å; D94-R98 IonicContact OD2-NE 3.86Å; D94-R98 PolarHBondContact OD2-NE 3.17Å; D94-R98 IonicContact OD2-NH2 3.76Å; D94-R98 PolarHBondContact OD2-NH2 3.42Å; D94-Y112 WeakPolarHBondContact OD1-CE1 3.3Å; D94-Y112 PolarHBondContact OD1-OH 3.45Å
95	R	94.2	Very high	94.8	Very high	147 Å²	147	41.1 Å²	41.1	56%	0.555	20%	0.2	S	C	*	.	H	α-helix	trans	-60.4	-50.7	177	-171.8	-174.6	-178.6	-176.9	-5.9	112.1	P93 F97 R98 I99 E239	P93-R95 VanDerWaalsContact C-N 3.31Å; P93-R95 PolarHBondContact O-N 3.04Å; R95-F97 PolarHBondContact O-N 3.43Å; R95-R98 PolarHBondContact O-N 3.29Å; R95-I99 HydrophobicContact CG-CD1 4.13Å; R95-I99 VanDerWaalsContact O-CG1 3.32Å; R95-I99 WeakPolarHBondContact O-CG1 3.25Å; R95-I99 PolarHBondContact O-N 3.31Å; R95-E239 WeakPolarHBondContact CD-OE2 3.34Å; R95-E239 IonicContact CZ-OE1 2.71Å; R95-E239 IonicContact CZ-OE2 3.59Å; R95-E239 IonicContact NE-OE2 3.37Å; R95-E239 IonicContact NH1-OE1 3.32Å; R95-E239 PolarHBondContact NH1-OE1 3.47Å; R95-E239 IonicContact NH1-OE2 3.45Å; R95-E239 PolarHBondContact NH1-OE2 3.3Å
96	F	96.5	Very high	95.2	Very high	1 Å²	1	44 Å²	44	0%	0.004	21%	0.211	C	C	.	.	H	α-helix	trans	-57.1	-51.1	177.5	177.4	-105.5	0	0	0	111.2	P93 R98 I99 V100 D232 D235 R237 L238	P93-F96 HydrophobicContact CB-CB 4.05Å; P93-F96 PolarHBondContact O-N 3.04Å; F96-R98 PolarHBondContact O-N 3.07Å; F96-I99 WeakPolarHBondContact O-CB 3.28Å; F96-I99 PolarHBondContact O-N 3.38Å; F96-I99 VanDerWaalsContact O-N 3.13Å; F96-V100 HydrophobicContact CD1-CG2 4.27Å; F96-V100 HydrophobicContact CD2-CG2 4.46Å; F96-V100 HydrophobicContact CE1-CG2 3.92Å; F96-V100 HydrophobicContact CE2-CG2 4.12Å; F96-V100 HydrophobicContact CZ-CG2 3.83Å; F96-V100 WeakPolarHBondContact O-CG2 3.33Å; F96-V100 PolarHBondContact O-N 3.21Å; F96-D232 HydrophobicContact CE1-CB 4.44Å; F96-D232 HydrophobicContact CZ-CB 4.05Å; F96-D235 HydrophobicContact CE2-CB 4.15Å; F96-R237 HydrophobicContact CD2-CB 4.15Å; F96-L238 HydrophobicContact CD1-CD1 4.26Å; F96-L238 HydrophobicContact CD1-CG 4.46Å; F96-L238 HydrophobicContact CD2-CB 4.01Å; F96-L238 HydrophobicContact CE1-CD1 4.23Å; F96-L238 HydrophobicContact CE2-CB 4.42Å; F96-L238 HydrophobicContact CG-CB 4.18Å; F96-L238 HydrophobicContact CG-CG 4.31Å; F96-L238 HydrophobicContact CZ-CD1 4.46Å
97	F	97	Very high	95.2	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-67.7	-30.8	-177.9	-76.2	-43.6	0	0	0	114	K92 P93 D94 R95 A101 Y112 V114 F172 N215	K92-F97 HydrophobicContact CG-CD2 4.11Å; K92-F97 HydrophobicContact CG-CE2 4.37Å; P93-F97 HydrophobicContact CG-CD2 3.92Å; P93-F97 HydrophobicContact CG-CE2 3.66Å; P93-F97 HydrophobicContact CG-CZ 4.3Å; P93-F97 PolarHBondContact O-N 3.4Å; D94-F97 PolarHBondContact O-N 3.1Å; R95-F97 PolarHBondContact O-N 3.43Å; F97-A101 VanDerWaalsContact O-CB 3.32Å; F97-A101 WeakPolarHBondContact O-CB 3.27Å; F97-A101 PolarHBondContact O-N 3.27Å; F97-Y112 HydrophobicContact CB-CE2 4.23Å; F97-Y112 WeakPolarHBondContact CB-OH 3.49Å; F97-V114 HydrophobicContact CD1-CG2 4.35Å; F97-V114 HydrophobicContact CD2-CG2 3.89Å; F97-V114 HydrophobicContact CE1-CG1 4.12Å; F97-V114 HydrophobicContact CE1-CG2 4.45Å; F97-V114 HydrophobicContact CE2-CB 4.2Å; F97-V114 HydrophobicContact CE2-CG1 4.35Å; F97-V114 HydrophobicContact CE2-CG2 3.98Å; F97-V114 HydrophobicContact CG-CG2 4.08Å; F97-V114 HydrophobicContact CZ-CB 4.26Å; F97-V114 HydrophobicContact CZ-CG1 3.91Å; F97-V114 HydrophobicContact CZ-CG2 4.26Å; F97-F172 HydrophobicContact CB-CE1 4.02Å; F97-F172 AromaticContact CD1-CE1 3.77Å; F97-F172 HydrophobicContact CD1-CE1 3.77Å; F97-F172 AromaticContact CD1-CZ 3.53Å; F97-F172 HydrophobicContact CD1-CZ 3.53Å; F97-F172 AromaticContact CE1-CZ 3.96Å; F97-F172 HydrophobicContact CE1-CZ 3.96Å; F97-F172 HydrophobicContact CG-CE1 4.07Å; F97-F172 HydrophobicContact CG-CZ 4.3Å; F97-N215 HydrophobicContact CE2-CB 4.4Å; F97-N215 WeakPolarHBondContact CE2-OD1 3.5Å
98	R	96	Very high	95.1	Very high	83 Å²	83	56 Å²	56	31%	0.313	26%	0.258	S	S	.	.	H	α-helix	trans	-67.9	-38.1	170.3	-73.8	-174.3	-161.5	-72.3	-11.9	112.5	D94 R95 F96 A101 Q102 L108 A109	D94-R98 WeakPolarHBondContact O-CB 3.37Å; D94-R98 WeakPolarHBondContact O-CG 3.07Å; D94-R98 PolarHBondContact O-N 3.1Å; D94-R98 IonicContact OD1-CZ 2.77Å; D94-R98 IonicContact OD1-NE 2.96Å; D94-R98 IonicContact OD1-NH2 3.55Å; D94-R98 PolarHBondContact OD1-NH2 2.85Å; D94-R98 IonicContact OD2-CZ 3.98Å; D94-R98 IonicContact OD2-NE 3.86Å; D94-R98 PolarHBondContact OD2-NE 3.17Å; D94-R98 IonicContact OD2-NH2 3.76Å; D94-R98 PolarHBondContact OD2-NH2 3.42Å; R95-R98 PolarHBondContact O-N 3.29Å; F96-R98 PolarHBondContact O-N 3.07Å; R98-A101 PolarHBondContact O-N 2.87Å; R98-Q102 WeakPolarHBondContact O-CB 3.3Å; R98-Q102 PolarHBondContact O-N 2.83Å; R98-L108 HydrophobicContact CG-CD1 4.27Å; R98-A109 PolarHBondContact NH1-O 3.26Å; R98-A109 VanDerWaalsContact NH1-O 3.12Å
99	I	95.1	Very high	95	Very high	43 Å²	43	57.5 Å²	57.5	22%	0.221	27%	0.27	C	S	.	.	H	α-helix	trans	-65	-49.2	174.5	-66.4	164.1	0	0	0	110.1	R95 F96 A101 Q102 E103	R95-I99 HydrophobicContact CG-CD1 4.13Å; R95-I99 VanDerWaalsContact O-CG1 3.32Å; R95-I99 WeakPolarHBondContact O-CG1 3.25Å; R95-I99 PolarHBondContact O-N 3.31Å; F96-I99 WeakPolarHBondContact O-CB 3.28Å; F96-I99 PolarHBondContact O-N 3.38Å; F96-I99 VanDerWaalsContact O-N 3.13Å; I99-A101 VanDerWaalsContact C-N 3.29Å; I99-A101 PolarHBondContact O-N 2.87Å; I99-Q102 WeakPolarHBondContact O-CA 3.43Å; I99-Q102 WeakPolarHBondContact O-CB 3.37Å; I99-Q102 PolarHBondContact O-N 3.42Å; I99-E103 HydrophobicContact CG2-CG 4.42Å; I99-E103 WeakPolarHBondContact O-CG 3.22Å; I99-E103 PolarHBondContact O-N 3.23Å
100	V	94.7	Very high	94.7	Very high	4 Å²	4	67 Å²	67	2%	0.024	31%	0.312	C	S	.	.	H	α-helix	trans	-58.2	-38.9	176.4	168.4	0	0	0	0	112.2	F96 R104 F172	F96-V100 HydrophobicContact CD1-CG2 4.27Å; F96-V100 HydrophobicContact CD2-CG2 4.46Å; F96-V100 HydrophobicContact CE1-CG2 3.92Å; F96-V100 HydrophobicContact CE2-CG2 4.12Å; F96-V100 HydrophobicContact CZ-CG2 3.83Å; F96-V100 WeakPolarHBondContact O-CG2 3.33Å; F96-V100 PolarHBondContact O-N 3.21Å; V100-R104 WeakPolarHBondContact O-CG 3.34Å; V100-R104 PolarHBondContact O-N 3.39Å; V100-F172 HydrophobicContact CG1-CZ 4.4Å
101	A	94.5	Very high	94.4	Very high	2 Å²	2	68.3 Å²	68.3	2%	0.017	32%	0.319	C	S	.	.	H	α-helix	trans	-67	-42.6	173.7	0	0	0	0	0	112	F97 R98 I99 E103 R104 G105 W106 L108	F97-A101 VanDerWaalsContact O-CB 3.32Å; F97-A101 WeakPolarHBondContact O-CB 3.27Å; F97-A101 PolarHBondContact O-N 3.27Å; R98-A101 PolarHBondContact O-N 2.87Å; I99-A101 VanDerWaalsContact C-N 3.29Å; I99-A101 PolarHBondContact O-N 2.87Å; A101-E103 PolarHBondContact O-N 3.43Å; A101-R104 CarbonylContact O-C 3.55Å; A101-R104 PolarHBondContact O-N 3.06Å; A101-R104 VanDerWaalsContact O-N 3.13Å; A101-G105 PolarHBondContact O-N 3.43Å; A101-G105 VanDerWaalsContact O-N 3.1Å; A101-W106 HydrophobicContact CB-CB 4Å; A101-W106 PolarHBondContact O-N 2.96Å; A101-L108 HydrophobicContact CB-CD1 3.55Å; A101-L108 HydrophobicContact CB-CD2 4.29Å; A101-L108 HydrophobicContact CB-CG 3.63Å
102	Q	94.2	Very high	94.5	Very high	154 Å²	154	66.6 Å²	66.6	72%	0.72	31%	0.31	S	S	*	.	H	α-helix	trans	-61.4	-42.9	176.3	-176.3	177.9	-4	0	0	112	R98 I99 R104 G105	R98-Q102 WeakPolarHBondContact O-CB 3.3Å; R98-Q102 PolarHBondContact O-N 2.83Å; I99-Q102 WeakPolarHBondContact O-CA 3.43Å; I99-Q102 WeakPolarHBondContact O-CB 3.37Å; I99-Q102 PolarHBondContact O-N 3.42Å; Q102-R104 PolarHBondContact O-N 3.48Å; Q102-G105 PolarHBondContact O-N 2.86Å; Q102-G105 VanDerWaalsContact O-N 3.1Å
103	E	94	Very high	94.5	Very high	121 Å²	121	65.3 Å²	65.3	57%	0.565	31%	0.305	S	S	*	.	H	α-helix	trans	-59.4	-30.1	174.4	-72	172	167.8	0	0	112.8	I99 A101 R237	I99-E103 HydrophobicContact CG2-CG 4.42Å; I99-E103 WeakPolarHBondContact O-CG 3.22Å; I99-E103 PolarHBondContact O-N 3.23Å; A101-E103 PolarHBondContact O-N 3.43Å; E103-R237 IonicContact OE1-CZ 2.67Å; E103-R237 IonicContact OE1-NH1 3.27Å; E103-R237 PolarHBondContact OE1-NH1 2.9Å; E103-R237 IonicContact OE1-NH2 2.72Å
104	R	93.3	Very high	94.6	Very high	110 Å²	110	65.1 Å²	65.1	42%	0.415	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	1.9	177.7	-69.3	-178.8	166.7	-128.7	-3.9	114.3	V100 A101 Q102 W106 W147	V100-R104 WeakPolarHBondContact O-CG 3.34Å; V100-R104 PolarHBondContact O-N 3.39Å; A101-R104 CarbonylContact O-C 3.55Å; A101-R104 PolarHBondContact O-N 3.06Å; A101-R104 VanDerWaalsContact O-N 3.13Å; Q102-R104 PolarHBondContact O-N 3.48Å; R104-W106 HydrophobicContact CB-CD2 3.8Å; R104-W106 HydrophobicContact CB-CE3 4.25Å; R104-W106 HydrophobicContact CB-CG 3.97Å; R104-W106 HydrophobicContact CB-CZ2 4.46Å; R104-W106 PolarHBondContact O-N 3.38Å; R104-W147 PolarHBondContact NH1-O 3.18Å
105	G	93.6	Very high	94.8	Very high	71 Å²	71	62.3 Å²	62.3	73%	0.732	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	19	-175.3	0	0	0	0	0	114.4	A101 Q102	A101-G105 PolarHBondContact O-N 3.43Å; A101-G105 VanDerWaalsContact O-N 3.1Å; Q102-G105 PolarHBondContact O-N 2.86Å; Q102-G105 VanDerWaalsContact O-N 3.1Å
106	W	96.1	Very high	95	Very high	60 Å²	60	55.4 Å²	55.4	23%	0.227	26%	0.263	C	S	.	.			trans	-87.9	147	-178.6	-67.1	-10.3	0	0	0	112.3	A101 R104 V145 W147 R148 F172	A101-W106 HydrophobicContact CB-CB 4Å; A101-W106 PolarHBondContact O-N 2.96Å; R104-W106 HydrophobicContact CB-CD2 3.8Å; R104-W106 HydrophobicContact CB-CE3 4.25Å; R104-W106 HydrophobicContact CB-CG 3.97Å; R104-W106 HydrophobicContact CB-CZ2 4.46Å; R104-W106 PolarHBondContact O-N 3.38Å; W106-V145 HydrophobicContact CB-CG1 3.68Å; W106-V145 HydrophobicContact CD2-CG1 4.03Å; W106-V145 HydrophobicContact CE3-CG1 4.2Å; W106-V145 HydrophobicContact CG-CG1 3.84Å; W106-W147 WeakPolarHBondContact CH2-O 3.37Å; W106-R148 HydrophobicContact CH2-CB 4.32Å; W106-F172 HydrophobicContact CE3-CD2 4.45Å; W106-F172 HydrophobicContact CE3-CG 4.38Å; W106-F172 HydrophobicContact CZ3-CB 4.45Å; W106-F172 AromaticContact CZ3-CD2 3.68Å; W106-F172 HydrophobicContact CZ3-CD2 3.68Å; W106-F172 HydrophobicContact CZ3-CE2 4.06Å; W106-F172 HydrophobicContact CZ3-CG 4.03Å
107	R	92.7	Very high	95	Very high	227 Å²	227	55.4 Å²	55.4	86%	0.857	26%	0.263	S	S	*	.			trans	-111.5	104.3	179	-165.3	175.5	-174.2	179.1	2.1	111.4	N174	R107-N174 PolarHBondContact O-ND2 3.48Å
108	L	94	Very high	95	Very high	25 Å²	25	55.5 Å²	55.5	13%	0.131	26%	0.263	C	S	.	.			trans	-83.2	142.4	174.9	-58.8	179.2	0	0	0	111.6	R98 A101 Y112 V145 F172 N174	R98-L108 HydrophobicContact CG-CD1 4.27Å; A101-L108 HydrophobicContact CB-CD1 3.55Å; A101-L108 HydrophobicContact CB-CD2 4.29Å; A101-L108 HydrophobicContact CB-CG 3.63Å; L108-Y112 HydrophobicContact CB-CD1 4.1Å; L108-Y112 HydrophobicContact CB-CE1 4.49Å; L108-Y112 HydrophobicContact CB-CG 4.19Å; L108-Y112 HydrophobicContact CD1-CD1 4.3Å; L108-Y112 HydrophobicContact CD1-CD2 3.96Å; L108-Y112 HydrophobicContact CD1-CE1 4.05Å; L108-Y112 HydrophobicContact CD1-CE2 3.68Å; L108-Y112 HydrophobicContact CD1-CG 4.27Å; L108-Y112 HydrophobicContact CD2-CD2 4.05Å; L108-Y112 HydrophobicContact CD2-CG 4.28Å; L108-Y112 HydrophobicContact CG-CD2 4.44Å; L108-Y112 HydrophobicContact CG-CG 4.49Å; L108-V145 HydrophobicContact CD2-CG1 4.11Å; L108-V145 HydrophobicContact CD2-CG2 4.23Å; L108-F172 HydrophobicContact CD1-CD1 4.36Å; L108-F172 HydrophobicContact CD2-CB 4.38Å; L108-F172 HydrophobicContact CD2-CD1 3.92Å; L108-N174 WeakPolarHBondContact CA-OD1 3.38Å
109	A	93.2	Very high	95.1	Very high	32 Å²	32	51.5 Å²	51.5	26%	0.264	25%	0.248	S	C	.	.			trans	-72	178.2	172.4	0	0	0	0	0	111.6	R98 N111 N174	R98-A109 PolarHBondContact NH1-O 3.26Å; R98-A109 VanDerWaalsContact NH1-O 3.12Å; A109-N111 WeakPolarHBondContact CB-O 3.45Å; A109-N174 HydrophobicContact CB-CB 3.93Å; A109-N174 WeakPolarHBondContact CB-OD1 3.2Å; A109-N174 PolarHBondContact N-OD1 3.37Å
110	K	89.7	Confident	95	Very high	201 Å²	201	50.3 Å²	50.3	87%	0.874	24%	0.242	S	C	*	.	S	Bend	trans	-65.2	-43.6	169.8	-176.8	174.6	176.9	176.3	0	110.7
111	N	93	Very high	94.7	Very high	26 Å²	26	54.5 Å²	54.5	14%	0.139	26%	0.26	C	S	.	.	S	Bend	trans	-109.2	114.4	174.8	-173.3	7.1	0	0	0	108.5	A109 A175 W179 M184 N212	A109-N111 WeakPolarHBondContact CB-O 3.45Å; N111-A175 HydrophobicContact CB-CB 4.01Å; N111-A175 WeakPolarHBondContact O-CB 3.44Å; N111-A175 PolarHBondContact O-N 3.14Å; N111-W179 PolarHBondContact ND2-O 2.75Å; N111-M184 PolarHBondContact OD1-SD 2.75Å; N111-N212 PolarHBondContact OD1-ND2 2.84Å
112	Y	96.5	Very high	94.6	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.008	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	152.3	-179.6	77.3	-84.3	0	0	0	109.1	K92 D94 F97 L108 V114 F172 V173 N174 N212	K92-Y112 HydrophobicContact CD-CE2 4.35Å; K92-Y112 PolarHBondContact NZ-OH 2.7Å; D94-Y112 WeakPolarHBondContact OD1-CE1 3.3Å; D94-Y112 PolarHBondContact OD1-OH 3.45Å; F97-Y112 HydrophobicContact CB-CE2 4.23Å; F97-Y112 WeakPolarHBondContact CB-OH 3.49Å; L108-Y112 HydrophobicContact CB-CD1 4.1Å; L108-Y112 HydrophobicContact CB-CE1 4.49Å; L108-Y112 HydrophobicContact CB-CG 4.19Å; L108-Y112 HydrophobicContact CD1-CD1 4.3Å; L108-Y112 HydrophobicContact CD1-CD2 3.96Å; L108-Y112 HydrophobicContact CD1-CE1 4.05Å; L108-Y112 HydrophobicContact CD1-CE2 3.68Å; L108-Y112 HydrophobicContact CD1-CG 4.27Å; L108-Y112 HydrophobicContact CD2-CD2 4.05Å; L108-Y112 HydrophobicContact CD2-CG 4.28Å; L108-Y112 HydrophobicContact CG-CD2 4.44Å; L108-Y112 HydrophobicContact CG-CG 4.49Å; Y112-V114 HydrophobicContact CD2-CG2 4.18Å; Y112-V114 HydrophobicContact CE2-CG2 3.75Å; Y112-F172 HydrophobicContact CE2-CD1 4.47Å; Y112-V173 CarbonylContact C-O 3.49Å; Y112-V173 VanDerWaalsContact CA-O 3.25Å; Y112-V173 WeakPolarHBondContact CA-O 3.37Å; Y112-V173 WeakPolarHBondContact CB-O 3.38Å; Y112-N174 WeakPolarHBondContact CB-OD1 3.48Å; Y112-N212 WeakPolarHBondContact O-CB 3.48Å
113	A	97.1	Very high	94.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	157.3	178.5	0	0	0	0	0	111.1	V173 M184 L188 S211 N212	A113-V173 HydrophobicContact CB-CG2 3.82Å; A113-V173 PolarHBondContact N-O 3.15Å; A113-V173 PolarHBondContact O-N 3.26Å; A113-M184 HydrophobicContact CB-CE 3.54Å; A113-M184 HydrophobicContact CB-SD 4.12Å; A113-L188 HydrophobicContact CB-CD1 3.56Å; A113-L188 HydrophobicContact CB-CD2 4.38Å; A113-S211 VanDerWaalsContact CA-O 3.3Å; A113-S211 WeakPolarHBondContact CA-O 3.46Å; A113-S211 VanDerWaalsContact CB-C 3.46Å; A113-S211 VanDerWaalsContact CB-O 3.27Å; A113-S211 WeakPolarHBondContact CB-O 3.47Å; A113-N212 HydrophobicContact CB-CB 4.03Å
114	V	97.9	Very high	94.5	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	119	171.2	-176.3	0	0	0	0	107.9	F97 Y112 Q170 I171 F172 S211 N215	F97-V114 HydrophobicContact CD1-CG2 4.35Å; F97-V114 HydrophobicContact CD2-CG2 3.89Å; F97-V114 HydrophobicContact CE1-CG1 4.12Å; F97-V114 HydrophobicContact CE1-CG2 4.45Å; F97-V114 HydrophobicContact CE2-CB 4.2Å; F97-V114 HydrophobicContact CE2-CG1 4.35Å; F97-V114 HydrophobicContact CE2-CG2 3.98Å; F97-V114 HydrophobicContact CG-CG2 4.08Å; F97-V114 HydrophobicContact CZ-CB 4.26Å; F97-V114 HydrophobicContact CZ-CG1 3.91Å; F97-V114 HydrophobicContact CZ-CG2 4.26Å; Y112-V114 HydrophobicContact CD2-CG2 4.18Å; Y112-V114 HydrophobicContact CE2-CG2 3.75Å; V114-Q170 HydrophobicContact CG1-CB 4.14Å; V114-Q170 HydrophobicContact CG1-CG 4.18Å; V114-I171 CarbonylContact C-O 3.51Å; V114-I171 WeakPolarHBondContact CA-O 3.49Å; V114-F172 HydrophobicContact CG1-CD2 4.43Å; V114-F172 HydrophobicContact CG1-CE2 4.11Å; V114-F172 HydrophobicContact CG1-CZ 4.17Å; V114-F172 HydrophobicContact CG2-CD1 3.73Å; V114-F172 HydrophobicContact CG2-CE1 3.66Å; V114-F172 HydrophobicContact CG2-CG 4.29Å; V114-F172 HydrophobicContact CG2-CZ 4.12Å; V114-S211 PolarHBondContact N-O 3.49Å; V114-N215 PolarHBondContact O-ND2 2.83Å; V114-N215 VanDerWaalsContact O-ND2 3.12Å
115	G	97.4	Very high	94.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	142.4	167.1	0	0	0	0	0	110.9	Q170 I171 S209	G115-Q170 CarbonylContact O-C 3.48Å; G115-Q170 WeakPolarHBondContact O-CA 3.36Å; G115-Q170 WeakPolarHBondContact O-CB 3.32Å; G115-Q170 WeakPolarHBondContact O-CG 3.36Å; G115-I171 PolarHBondContact N-O 3.01Å; G115-I171 PolarHBondContact O-N 3.22Å; G115-S209 CarbonylContact C-O 3.58Å; G115-S209 VanDerWaalsContact CA-O 3.26Å; G115-S209 WeakPolarHBondContact CA-O 3.43Å
116	M	98	Very high	94.5	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	113.2	168.6	-178.6	75.4	160.6	0	0	107.5	V150 I168 Q170 C208 S209 I216 Y217 Y230	M116-V150 HydrophobicContact CE-CG1 4.5Å; M116-V150 HydrophobicContact CE-CG2 4.35Å; M116-V150 HydrophobicContact SD-CG2 3.93Å; M116-I168 HydrophobicContact CE-CG2 3.41Å; M116-I168 VanDerWaalsContact CE-CG2 3.41Å; M116-I168 HydrophobicContact SD-CG2 3.99Å; M116-Q170 HydrophobicContact SD-CG 3.64Å; M116-C208 HydrophobicContact CB-CB 4.25Å; M116-C208 HydrophobicContact CG-CB 4.12Å; M116-C208 WeakPolarHBondContact O-CB 3.38Å; M116-C208 PolarHBondContact O-N 2.77Å; M116-S209 WeakPolarHBondContact CB-OG 3.46Å; M116-S209 PolarHBondContact N-O 2.95Å; M116-S209 PolarHBondContact O-N 2.74Å; M116-I216 WeakPolarHBondContact CG-O 3.49Å; M116-Y217 HydrophobicContact CE-CD1 3.9Å; M116-Y217 HydrophobicContact CE-CE1 4.14Å; M116-Y230 HydrophobicContact CE-CE1 3.77Å
117	L	97.9	Very high	94.5	Very high	2 Å²	2	50 Å²	50	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138	-171.3	-62.6	92.2	0	0	0	110.8	L119 V133 W147 E169 I171 F205 V207	L117-L119 HydrophobicContact CB-CD2 4.08Å; L117-L119 HydrophobicContact CD2-CD2 4.42Å; L117-V133 HydrophobicContact CD2-CG1 4.24Å; L117-V133 HydrophobicContact CD2-CG2 3.73Å; L117-W147 HydrophobicContact CD1-CH2 4.33Å; L117-W147 HydrophobicContact CD1-CZ3 4.01Å; L117-W147 HydrophobicContact CD2-CH2 4.14Å; L117-W147 HydrophobicContact CD2-CZ3 4.38Å; L117-E169 PolarHBondContact N-O 2.94Å; L117-E169 PolarHBondContact O-N 2.7Å; L117-I171 HydrophobicContact CD1-CB 4.43Å; L117-I171 HydrophobicContact CD1-CG2 3.7Å; L117-F205 HydrophobicContact CD2-CE2 3.86Å; L117-F205 HydrophobicContact CD2-CZ 3.96Å; L117-V207 HydrophobicContact CD2-CG2 4.02Å; L117-V207 HydrophobicContact CG-CG2 4.32Å
118	F	97.1	Very high	94.6	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	122.6	160.8	-64.2	-16.4	0	0	0	107.2	P166 R167 I168 F205 Y206 C208 K218 W257	F118-P166 HydrophobicContact CB-CB 3.68Å; F118-P166 HydrophobicContact CB-CG 3.75Å; F118-P166 HydrophobicContact CD1-CB 4.46Å; F118-P166 HydrophobicContact CD1-CG 3.75Å; F118-P166 HydrophobicContact CD2-CG 3.89Å; F118-P166 HydrophobicContact CE1-CG 4.3Å; F118-P166 HydrophobicContact CE2-CG 4.43Å; F118-P166 HydrophobicContact CG-CB 4.06Å; F118-P166 HydrophobicContact CG-CG 3.52Å; F118-R167 WeakPolarHBondContact CA-O 3.34Å; F118-I168 HydrophobicContact CD1-CB 4.46Å; F118-I168 HydrophobicContact CD1-CG1 3.85Å; F118-I168 HydrophobicContact CD1-CG2 4.21Å; F118-I168 HydrophobicContact CE1-CD1 4.27Å; F118-I168 HydrophobicContact CE1-CG1 3.85Å; F118-I168 HydrophobicContact CE1-CG2 4.06Å; F118-F205 WeakPolarHBondContact O-CA 3.33Å; F118-Y206 AromaticContact CD2-CD1 3.93Å; F118-Y206 HydrophobicContact CD2-CD1 3.93Å; F118-Y206 HydrophobicContact CE2-CD1 4.37Å; F118-Y206 PolarHBondContact N-O 2.68Å; F118-Y206 PolarHBondContact O-N 3.48Å; F118-C208 WeakPolarHBondContact CE2-SG 3.46Å; F118-C208 WeakPolarHBondContact CZ-SG 3.15Å; F118-K218 HydrophobicContact CZ-CG 4.23Å; F118-W257 HydrophobicContact CD2-CB 4.05Å; F118-W257 HydrophobicContact CE2-CB 3.76Å; F118-W257 HydrophobicContact CE2-CE3 4.39Å; F118-W257 HydrophobicContact CZ-CE3 4.08Å
119	L	96.6	Very high	94.7	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	157.5	176.6	-51.6	178.5	0	0	0	109.1	L117 A126 A129 R130 W147 R167 E169 F205	L117-L119 HydrophobicContact CB-CD2 4.08Å; L117-L119 HydrophobicContact CD2-CD2 4.42Å; L119-A126 HydrophobicContact CB-CB 4.03Å; L119-A126 HydrophobicContact CD1-CB 4.38Å; L119-A129 HydrophobicContact CD2-CB 4.13Å; L119-R130 HydrophobicContact CD1-CG 3.71Å; L119-W147 HydrophobicContact CD1-CZ3 4.45Å; L119-R167 HydrophobicContact CB-CB 4.1Å; L119-R167 PolarHBondContact N-O 2.94Å; L119-R167 PolarHBondContact O-N 3.33Å; L119-E169 HydrophobicContact CD1-CB 4.12Å; L119-E169 HydrophobicContact CD1-CG 4.08Å; L119-F205 HydrophobicContact CD2-CD2 3.73Å; L119-F205 HydrophobicContact CD2-CE2 3.67Å
120	N	93.7	Very high	94.9	Very high	17 Å²	17	41.9 Å²	41.9	9%	0.091	21%	0.214	C	C	.	.			trans	-54.6	150.9	176.3	-156.2	-67.7	0	0	0	112.2	D122 L125 R167 D202 D204	N120-D122 VanDerWaalsContact C-N 3.26Å; N120-D122 PolarHBondContact O-N 3.05Å; N120-D122 WeakPolarHBondContact OD1-CB 3.19Å; N120-D122 PolarHBondContact OD1-N 3.33Å; N120-L125 HydrophobicContact CB-CB 3.75Å; N120-L125 HydrophobicContact CB-CD1 4.35Å; N120-R167 VanDerWaalsContact O-CD 3.3Å; N120-R167 WeakPolarHBondContact O-CD 3.36Å; N120-D202 PolarHBondContact ND2-OD1 3.21Å; N120-D204 HydrophobicContact CB-CB 4.41Å; N120-D204 PolarHBondContact ND2-OD2 3.37Å
121	K	88.9	Confident	95.2	Very high	93 Å²	93	39.8 Å²	39.8	40%	0.404	20%	0.201	S	C	.	.	S	Bend	trans	-62	-37.3	172.3	-72.7	-177.1	168.8	-173.8	0	111.4	P123 L162 S163 L165 R167	K121-P123 WeakPolarHBondContact O-CD 3.2Å; K121-L162 PolarHBondContact NZ-O 3.11Å; K121-S163 VanDerWaalsContact NZ-C 3.27Å; K121-S163 PolarHBondContact NZ-O 3.17Å; K121-L165 WeakPolarHBondContact CE-O 3.45Å; K121-R167 PolarHBondContact O-NE 3.03Å; K121-R167 PolarHBondContact O-NH2 3Å
122	D	92.1	Very high	95.4	Very high	71 Å²	71	39.8 Å²	39.8	38%	0.38	20%	0.2	S	C	.	.	S	Bend	trans	-61	120.6	176.7	-171.5	-35.8	0	0	0	110.9	N120 E124 L125 A126	N120-D122 VanDerWaalsContact C-N 3.26Å; N120-D122 PolarHBondContact O-N 3.05Å; N120-D122 WeakPolarHBondContact OD1-CB 3.19Å; N120-D122 PolarHBondContact OD1-N 3.33Å; D122-E124 VanDerWaalsContact C-N 3.27Å; D122-E124 PolarHBondContact O-N 3.17Å; D122-E124 PolarHBondContact OD1-N 2.94Å; D122-L125 HydrophobicContact CB-CB 4.16Å; D122-L125 HydrophobicContact CB-CD1 4.09Å; D122-L125 HydrophobicContact CB-CG 4.17Å; D122-L125 PolarHBondContact O-N 2.68Å; D122-A126 VanDerWaalsContact O-CB 3.28Å; D122-A126 WeakPolarHBondContact O-CB 3.08Å; D122-A126 PolarHBondContact O-N 2.89Å
123	P	91.5	Very high	95.5	Very high	80 Å²	80	39.8 Å²	39.8	52%	0.519	20%	0.2	S	C	.	.	H	α-helix	trans	-58.2	-31.3	177.9	-24	34.5	0	0	0	115	K121 A127	K121-P123 WeakPolarHBondContact O-CD 3.2Å; P123-A127 VanDerWaalsContact O-CB 3.27Å; P123-A127 WeakPolarHBondContact O-CB 3.44Å; P123-A127 PolarHBondContact O-N 3.11Å
124	E	94	Very high	95.5	Very high	157 Å²	157	42.7 Å²	42.7	73%	0.734	21%	0.214	S	C	*	.	H	α-helix	trans	-74.8	-48.4	-179.2	-64.9	-159	169.8	0	0	111.2	D122 A126 A127 A128	D122-E124 VanDerWaalsContact C-N 3.27Å; D122-E124 PolarHBondContact O-N 3.17Å; D122-E124 PolarHBondContact OD1-N 2.94Å; E124-A126 VanDerWaalsContact C-N 3.34Å; E124-A126 PolarHBondContact O-N 2.71Å; E124-A127 PolarHBondContact O-N 3.11Å; E124-A127 VanDerWaalsContact O-N 3.11Å; E124-A128 PolarHBondContact O-N 3.01Å
125	L	93.9	Very high	95.4	Very high	78 Å²	78	46.5 Å²	46.5	41%	0.408	23%	0.232	S	C	.	.	H	α-helix	trans	-60.8	-43.4	174	-65.8	178.3	0	0	0	110.9	N120 D122 A127 A128 A129	N120-L125 HydrophobicContact CB-CB 3.75Å; N120-L125 HydrophobicContact CB-CD1 4.35Å; D122-L125 HydrophobicContact CB-CB 4.16Å; D122-L125 HydrophobicContact CB-CD1 4.09Å; D122-L125 HydrophobicContact CB-CG 4.17Å; D122-L125 PolarHBondContact O-N 2.68Å; L125-A127 VanDerWaalsContact C-N 3.3Å; L125-A127 PolarHBondContact O-N 3.18Å; L125-A128 PolarHBondContact O-N 3.49Å; L125-A129 WeakPolarHBondContact O-CB 3.17Å; L125-A129 PolarHBondContact O-N 3.04Å
126	A	94.4	Very high	95.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-32.7	173.9	0	0	0	0	0	113.2	L119 D122 E124 R130	L119-A126 HydrophobicContact CB-CB 4.03Å; L119-A126 HydrophobicContact CD1-CB 4.38Å; D122-A126 VanDerWaalsContact O-CB 3.28Å; D122-A126 WeakPolarHBondContact O-CB 3.08Å; D122-A126 PolarHBondContact O-N 2.89Å; E124-A126 VanDerWaalsContact C-N 3.34Å; E124-A126 PolarHBondContact O-N 2.71Å; A126-R130 WeakPolarHBondContact O-CB 3.49Å; A126-R130 VanDerWaalsContact O-CG 3.24Å; A126-R130 WeakPolarHBondContact O-CG 3.38Å; A126-R130 PolarHBondContact O-N 3.06Å; A126-R130 VanDerWaalsContact O-N 3.15Å; A126-R130 PolarHBondContact O-NE 3.03Å
127	A	95.1	Very high	95.3	Very high	38 Å²	38	46.8 Å²	46.8	31%	0.314	23%	0.233	S	C	.	.	H	α-helix	trans	-73.9	-36	173.7	0	0	0	0	0	112.7	P123 E124 L125 R131	P123-A127 VanDerWaalsContact O-CB 3.27Å; P123-A127 WeakPolarHBondContact O-CB 3.44Å; P123-A127 PolarHBondContact O-N 3.11Å; E124-A127 PolarHBondContact O-N 3.11Å; E124-A127 VanDerWaalsContact O-N 3.11Å; L125-A127 VanDerWaalsContact C-N 3.3Å; L125-A127 PolarHBondContact O-N 3.18Å; A127-R131 PolarHBondContact O-N 2.73Å
128	A	95	Very high	95.2	Very high	40 Å²	40	52 Å²	52	33%	0.331	26%	0.258	S	S	.	.	H	α-helix	trans	-66	-47	173.6	0	0	0	0	0	111.4	E124 L125 R130 R131 I132	E124-A128 PolarHBondContact O-N 3.01Å; L125-A128 PolarHBondContact O-N 3.49Å; A128-R130 PolarHBondContact O-N 3.23Å; A128-R131 WeakPolarHBondContact O-CB 3.36Å; A128-R131 PolarHBondContact O-N 3.3Å; A128-I132 WeakPolarHBondContact O-CG1 2.75Å; A128-I132 PolarHBondContact O-N 3.45Å
129	A	96	Very high	95.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-58.4	-46.2	176.1	0	0	0	0	0	112.1	L119 L125 R131 I132 V133 L199 F205	L119-A129 HydrophobicContact CD2-CB 4.13Å; L125-A129 WeakPolarHBondContact O-CB 3.17Å; L125-A129 PolarHBondContact O-N 3.04Å; A129-R131 VanDerWaalsContact C-N 3.33Å; A129-R131 PolarHBondContact O-N 2.7Å; A129-I132 PolarHBondContact O-N 3.2Å; A129-V133 VanDerWaalsContact O-CG2 3.24Å; A129-V133 WeakPolarHBondContact O-CG2 3.33Å; A129-V133 PolarHBondContact O-N 3.3Å; A129-L199 HydrophobicContact CB-CD1 3.95Å; A129-L199 HydrophobicContact CB-CD2 4.13Å; A129-F205 HydrophobicContact CB-CD2 3.84Å; A129-F205 HydrophobicContact CB-CE2 4.12Å
130	R	96.9	Very high	94.9	Very high	73 Å²	73	59.8 Å²	59.8	28%	0.275	29%	0.288	S	S	.	.	H	α-helix	trans	-58.1	-42.6	175.4	-75.9	-179.8	-71.1	-173.1	3.1	112.8	L119 A126 A128 V133 E134 W147 E169	L119-R130 HydrophobicContact CD1-CG 3.71Å; A126-R130 WeakPolarHBondContact O-CB 3.49Å; A126-R130 VanDerWaalsContact O-CG 3.24Å; A126-R130 WeakPolarHBondContact O-CG 3.38Å; A126-R130 PolarHBondContact O-N 3.06Å; A126-R130 VanDerWaalsContact O-N 3.15Å; A126-R130 PolarHBondContact O-NE 3.03Å; A128-R130 PolarHBondContact O-N 3.23Å; R130-V133 PolarHBondContact O-N 2.69Å; R130-E134 WeakPolarHBondContact O-CG 3.46Å; R130-E134 PolarHBondContact O-N 3.1Å; R130-W147 HydrophobicContact CB-CH2 4.22Å; R130-W147 HydrophobicContact CB-CZ2 3.75Å; R130-W147 HydrophobicContact CG-CD2 4.11Å; R130-W147 HydrophobicContact CG-CE3 4.11Å; R130-W147 HydrophobicContact CG-CH2 3.62Å; R130-W147 HydrophobicContact CG-CZ2 3.58Å; R130-W147 HydrophobicContact CG-CZ3 3.88Å; R130-E169 WeakPolarHBondContact CD-OE2 3.32Å; R130-E169 IonicContact CZ-OE1 2.7Å; R130-E169 IonicContact CZ-OE2 3.75Å; R130-E169 IonicContact NH1-OE1 2.85Å; R130-E169 PolarHBondContact NH1-OE1 3.44Å; R130-E169 IonicContact NH1-OE2 3.24Å; R130-E169 PolarHBondContact NH1-OE2 2.92Å
131	R	96.7	Very high	94.9	Very high	157 Å²	157	63.5 Å²	63.5	59%	0.592	31%	0.311	S	S	*	.	H	α-helix	trans	-63.2	-44.9	177.4	-163.8	-172.4	-51.6	167	9.2	112	A127 A128 A129 V133 E134 E135	A127-R131 PolarHBondContact O-N 2.73Å; A128-R131 WeakPolarHBondContact O-CB 3.36Å; A128-R131 PolarHBondContact O-N 3.3Å; A129-R131 VanDerWaalsContact C-N 3.33Å; A129-R131 PolarHBondContact O-N 2.7Å; R131-V133 VanDerWaalsContact C-N 3.33Å; R131-V133 PolarHBondContact O-N 2.91Å; R131-E134 PolarHBondContact O-N 2.74Å; R131-E135 WeakPolarHBondContact O-CB 3.49Å; R131-E135 VanDerWaalsContact O-CG 3.29Å; R131-E135 WeakPolarHBondContact O-CG 3.5Å; R131-E135 PolarHBondContact O-N 3.12Å
132	I	97.1	Very high	95.1	Very high	26 Å²	26	59.2 Å²	59.2	13%	0.133	29%	0.292	C	S	.	.	H	α-helix	trans	-62.5	-41.5	177.2	-70.3	164.9	0	0	0	111.1	A128 A129 E135 E136 R198 L199	A128-I132 WeakPolarHBondContact O-CG1 2.75Å; A128-I132 PolarHBondContact O-N 3.45Å; A129-I132 PolarHBondContact O-N 3.2Å; I132-E135 PolarHBondContact O-N 2.83Å; I132-E136 PolarHBondContact O-N 3.49Å; I132-E136 VanDerWaalsContact O-N 3.13Å; I132-R198 HydrophobicContact CG2-CB 3.73Å; I132-L199 HydrophobicContact CB-CD1 4.36Å; I132-L199 HydrophobicContact CD1-CD2 3.62Å; I132-L199 HydrophobicContact CD1-CG 4.11Å; I132-L199 HydrophobicContact CG2-CD1 4.09Å; I132-L199 HydrophobicContact CG2-CG 4.15Å
133	V	97.4	Very high	95.2	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.006	30%	0.297	C	S	.	.	H	α-helix	trans	-61	-47.4	174.7	170.3	0	0	0	0	111.2	L117 A129 R130 R131 L137 W147 I171 I195 F205	L117-V133 HydrophobicContact CD2-CG1 4.24Å; L117-V133 HydrophobicContact CD2-CG2 3.73Å; A129-V133 VanDerWaalsContact O-CG2 3.24Å; A129-V133 WeakPolarHBondContact O-CG2 3.33Å; A129-V133 PolarHBondContact O-N 3.3Å; R130-V133 PolarHBondContact O-N 2.69Å; R131-V133 VanDerWaalsContact C-N 3.33Å; R131-V133 PolarHBondContact O-N 2.91Å; V133-L137 HydrophobicContact CG1-CD1 3.6Å; V133-L137 WeakPolarHBondContact O-CB 3.26Å; V133-L137 WeakPolarHBondContact O-CD1 3.46Å; V133-L137 VanDerWaalsContact O-CG 3.22Å; V133-L137 WeakPolarHBondContact O-CG 3.42Å; V133-L137 PolarHBondContact O-N 2.86Å; V133-L137 VanDerWaalsContact O-N 3.14Å; V133-W147 HydrophobicContact CB-CH2 4.03Å; V133-W147 HydrophobicContact CB-CZ2 4.03Å; V133-W147 HydrophobicContact CG1-CH2 3.73Å; V133-W147 HydrophobicContact CG1-CZ2 3.79Å; V133-W147 HydrophobicContact CG2-CH2 4.36Å; V133-I171 HydrophobicContact CG1-CD1 3.96Å; V133-I195 HydrophobicContact CB-CD1 4.3Å; V133-I195 HydrophobicContact CG1-CD1 4.25Å; V133-I195 HydrophobicContact CG2-CD1 4.22Å; V133-I195 HydrophobicContact CG2-CG2 3.69Å; V133-F205 HydrophobicContact CG2-CE2 4.1Å; V133-F205 HydrophobicContact CG2-CZ 3.97Å
134	E	97.5	Very high	95.5	Very high	62 Å²	62	57 Å²	57	29%	0.29	28%	0.281	S	S	.	.	H	α-helix	trans	-62.9	-44.1	177.1	-73.2	178.7	178	0	0	112.5	R130 R131 L137 Q138 I144 W147 I171	R130-E134 WeakPolarHBondContact O-CG 3.46Å; R130-E134 PolarHBondContact O-N 3.1Å; R131-E134 PolarHBondContact O-N 2.74Å; E134-L137 PolarHBondContact O-N 2.9Å; E134-Q138 VanDerWaalsContact O-CB 3.31Å; E134-Q138 WeakPolarHBondContact O-CB 3.47Å; E134-Q138 WeakPolarHBondContact O-CG 3.47Å; E134-Q138 PolarHBondContact O-N 3.07Å; E134-I144 HydrophobicContact CB-CG1 4.47Å; E134-I144 HydrophobicContact CG-CG1 4.25Å; E134-I144 HydrophobicContact CG-CG2 4.43Å; E134-W147 HydrophobicContact CG-CZ2 4.42Å; E134-W147 PolarHBondContact OE1-NE1 2.88Å; E134-I171 HydrophobicContact CG-CD1 4.42Å
135	E	97.2	Very high	95.6	Very high	79 Å²	79	50.9 Å²	50.9	37%	0.369	26%	0.255	S	S	.	.	H	α-helix	trans	-58.9	-51.7	179.2	-77.3	171	-163.3	0	0	112.4	R131 I132 Q138 R139 R198	R131-E135 WeakPolarHBondContact O-CB 3.49Å; R131-E135 VanDerWaalsContact O-CG 3.29Å; R131-E135 WeakPolarHBondContact O-CG 3.5Å; R131-E135 PolarHBondContact O-N 3.12Å; I132-E135 PolarHBondContact O-N 2.83Å; E135-Q138 PolarHBondContact O-N 2.8Å; E135-R139 VanDerWaalsContact O-CB 3.31Å; E135-R139 WeakPolarHBondContact O-CB 3.42Å; E135-R139 PolarHBondContact O-N 3.07Å; E135-R198 IonicContact OE2-CZ 3.1Å; E135-R198 VanDerWaalsContact OE2-CZ 3.24Å; E135-R198 IonicContact OE2-NH1 2.77Å; E135-R198 PolarHBondContact OE2-NH1 2.96Å; E135-R198 IonicContact OE2-NH2 3.92Å; E135-R198 PolarHBondContact OE2-NH2 2.83Å
136	E	96.5	Very high	95.7	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.037	24%	0.242	C	C	.	.	H	α-helix	trans	-70.8	-31.3	-178.9	-64.3	-58	146.6	0	0	112.5	I132 R139 E140 R194 I195 R198	I132-E136 PolarHBondContact O-N 3.49Å; I132-E136 VanDerWaalsContact O-N 3.13Å; E136-R139 WeakPolarHBondContact O-CB 3.35Å; E136-R139 IonicContact OE1-NH1 3.2Å; E136-R139 VanDerWaalsContact OE2-CD 3.31Å; E136-R139 WeakPolarHBondContact OE2-CD 2.9Å; E136-R139 IonicContact OE2-CZ 3.79Å; E136-R139 IonicContact OE2-NE 2.79Å; E136-R139 IonicContact OE2-NH1 3.82Å; E136-R139 PolarHBondContact OE2-NH1 2.98Å; E136-E140 PolarHBondContact O-N 3.13Å; E136-R194 HydrophobicContact CG-CB 4.17Å; E136-R194 WeakPolarHBondContact OE2-CD 3.43Å; E136-I195 HydrophobicContact CB-CD1 4.14Å; E136-I195 HydrophobicContact CB-CG1 3.67Å; E136-I195 HydrophobicContact CG-CG1 3.88Å; E136-R198 WeakPolarHBondContact OE1-CD 3.43Å; E136-R198 IonicContact OE1-CZ 2.82Å; E136-R198 IonicContact OE1-NE 3.66Å; E136-R198 IonicContact OE1-NH1 2.7Å; E136-R198 PolarHBondContact OE1-NH1 3.43Å
137	L	96.5	Very high	95.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-69.5	-42.7	173.9	-74	167.8	0	0	0	111.9	V133 E134 R139 E140 L142 I144 I171 V173 L188 A191 I195 L210	V133-L137 HydrophobicContact CG1-CD1 3.6Å; V133-L137 WeakPolarHBondContact O-CB 3.26Å; V133-L137 WeakPolarHBondContact O-CD1 3.46Å; V133-L137 VanDerWaalsContact O-CG 3.22Å; V133-L137 WeakPolarHBondContact O-CG 3.42Å; V133-L137 PolarHBondContact O-N 2.86Å; V133-L137 VanDerWaalsContact O-N 3.14Å; E134-L137 PolarHBondContact O-N 2.9Å; L137-R139 VanDerWaalsContact C-N 3.32Å; L137-R139 PolarHBondContact O-N 3.33Å; L137-E140 PolarHBondContact O-N 3.35Å; L137-L142 HydrophobicContact CD2-CD1 3.62Å; L137-L142 VanDerWaalsContact O-CB 3.3Å; L137-L142 WeakPolarHBondContact O-CB 3.36Å; L137-L142 PolarHBondContact O-N 3.48Å; L137-L142 VanDerWaalsContact O-N 3.11Å; L137-I144 HydrophobicContact CB-CD1 3.7Å; L137-I144 HydrophobicContact CD1-CD1 4.17Å; L137-I171 HydrophobicContact CD1-CD1 3.77Å; L137-V173 HydrophobicContact CD1-CG1 3.99Å; L137-L188 HydrophobicContact CD2-CD2 3.83Å; L137-A191 HydrophobicContact CD2-CB 4Å; L137-I195 HydrophobicContact CG-CD1 4.45Å; L137-L210 HydrophobicContact CD2-CD2 4.3Å
138	Q	95.7	Very high	95.9	Very high	112 Å²	112	48.6 Å²	48.6	52%	0.523	24%	0.237	S	C	.	.	H	α-helix	trans	-65.6	-35.6	174.9	-72.2	173.1	15.9	0	0	112	E134 E135 E140 T141 I144	E134-Q138 VanDerWaalsContact O-CB 3.31Å; E134-Q138 WeakPolarHBondContact O-CB 3.47Å; E134-Q138 WeakPolarHBondContact O-CG 3.47Å; E134-Q138 PolarHBondContact O-N 3.07Å; E135-Q138 PolarHBondContact O-N 2.8Å; Q138-E140 PolarHBondContact O-N 3.45Å; Q138-T141 WeakPolarHBondContact O-CA 3.35Å; Q138-T141 PolarHBondContact O-N 2.96Å; Q138-I144 HydrophobicContact CG-CD1 4.32Å; Q138-I144 HydrophobicContact CG-CG1 3.91Å
139	R	94.8	Very high	95.9	Very high	150 Å²	150	51.2 Å²	51.2	57%	0.566	25%	0.245	S	C	*	.	H	α-helix	trans	-58.8	-33.1	172.5	-176.2	-176.2	-178.4	-179.6	1.6	112.4	E135 E136 L137 T141	E135-R139 VanDerWaalsContact O-CB 3.31Å; E135-R139 WeakPolarHBondContact O-CB 3.42Å; E135-R139 PolarHBondContact O-N 3.07Å; E136-R139 WeakPolarHBondContact O-CB 3.35Å; E136-R139 IonicContact OE1-NH1 3.2Å; E136-R139 VanDerWaalsContact OE2-CD 3.31Å; E136-R139 WeakPolarHBondContact OE2-CD 2.9Å; E136-R139 IonicContact OE2-CZ 3.79Å; E136-R139 IonicContact OE2-NE 2.79Å; E136-R139 IonicContact OE2-NH1 3.82Å; E136-R139 PolarHBondContact OE2-NH1 2.98Å; L137-R139 VanDerWaalsContact C-N 3.32Å; L137-R139 PolarHBondContact O-N 3.33Å; R139-T141 PolarHBondContact O-N 2.79Å
140	E	92.8	Very high	95.9	Very high	14 Å²	14	51.5 Å²	51.5	7%	0.065	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	13.6	172.5	-68.3	-57.2	152	0	0	114.1	E136 L137 Q138 L142 R187 A191 R194	E136-E140 PolarHBondContact O-N 3.13Å; L137-E140 PolarHBondContact O-N 3.35Å; Q138-E140 PolarHBondContact O-N 3.45Å; E140-L142 HydrophobicContact CB-CD1 4.13Å; E140-L142 HydrophobicContact CB-CG 4.13Å; E140-L142 PolarHBondContact O-N 3.14Å; E140-R187 HydrophobicContact CB-CB 4.48Å; E140-R187 IonicContact OE1-CZ 3.64Å; E140-R187 IonicContact OE1-NE 3.7Å; E140-R187 IonicContact OE1-NH2 2.84Å; E140-R187 PolarHBondContact OE1-NH2 3.16Å; E140-R187 IonicContact OE2-CZ 3.42Å; E140-R187 IonicContact OE2-NE 3.65Å; E140-R187 PolarHBondContact OE2-NE 3.04Å; E140-R187 IonicContact OE2-NH2 3.6Å; E140-R187 PolarHBondContact OE2-NH2 3.04Å; E140-A191 HydrophobicContact CG-CB 4Å; E140-R194 IonicContact OE1-CZ 3.64Å; E140-R194 IonicContact OE1-NH1 3.45Å; E140-R194 PolarHBondContact OE1-NH1 3.04Å
141	T	92	Very high	95.9	Very high	94 Å²	94	50.3 Å²	50.3	58%	0.577	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.8	17.5	-176.8	69.4	0	0	0	0	114.8	Q138 R139	Q138-T141 WeakPolarHBondContact O-CA 3.35Å; Q138-T141 PolarHBondContact O-N 2.96Å; R139-T141 PolarHBondContact O-N 2.79Å
142	L	94.3	Very high	95.9	Very high	3 Å²	3	45 Å²	45	2%	0.016	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-83.3	128.4	177.5	-55.8	171.4	0	0	0	110	L137 E140 I144 V173 W179 M184 L188	L137-L142 HydrophobicContact CD2-CD1 3.62Å; L137-L142 VanDerWaalsContact O-CB 3.3Å; L137-L142 WeakPolarHBondContact O-CB 3.36Å; L137-L142 PolarHBondContact O-N 3.48Å; L137-L142 VanDerWaalsContact O-N 3.11Å; E140-L142 HydrophobicContact CB-CD1 4.13Å; E140-L142 HydrophobicContact CB-CG 4.13Å; E140-L142 PolarHBondContact O-N 3.14Å; L142-I144 PolarHBondContact O-N 2.83Å; L142-V173 HydrophobicContact CB-CB 4.44Å; L142-W179 HydrophobicContact CD2-CZ3 3.96Å; L142-M184 HydrophobicContact CD2-CE 3.99Å; L142-M184 HydrophobicContact CD2-CG 4.31Å; L142-L188 HydrophobicContact CD1-CD2 3.48Å; L142-L188 VanDerWaalsContact CD1-CD2 3.48Å; L142-L188 HydrophobicContact CD1-CG 4.22Å
143	S	94.3	Very high	95.8	Very high	70 Å²	70	47.2 Å²	47.2	49%	0.49	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	116.8	-178.9	173.1	0	0	0	0	110.2	V145 V173 N174	S143-V145 PolarHBondContact O-N 3.09Å; S143-V173 CarbonylContact O-C 3.54Å; S143-V173 WeakPolarHBondContact O-CA 3.48Å; S143-N174 PolarHBondContact N-O 3.37Å; S143-N174 VanDerWaalsContact N-O 3.08Å; S143-N174 PolarHBondContact O-N 3.4Å
144	I	96.7	Very high	95.6	Very high	35 Å²	35	52.4 Å²	52.4	18%	0.179	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	129.4	172.8	-44.4	-53.5	0	0	0	109.7	E134 L137 Q138 L142 I171 V173	E134-I144 HydrophobicContact CB-CG1 4.47Å; E134-I144 HydrophobicContact CG-CG1 4.25Å; E134-I144 HydrophobicContact CG-CG2 4.43Å; L137-I144 HydrophobicContact CB-CD1 3.7Å; L137-I144 HydrophobicContact CD1-CD1 4.17Å; Q138-I144 HydrophobicContact CG-CD1 4.32Å; Q138-I144 HydrophobicContact CG-CG1 3.91Å; L142-I144 PolarHBondContact O-N 2.83Å; I144-I171 HydrophobicContact CD1-CD1 4.11Å; I144-I171 HydrophobicContact CG2-CD1 4.04Å; I144-I171 HydrophobicContact CG2-CG1 4.25Å; I144-V173 HydrophobicContact CD1-CG1 3.57Å
145	V	96.3	Very high	95.2	Very high	29 Å²	29	52.6 Å²	52.6	18%	0.176	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-40	176.8	-177.5	0	0	0	0	110.6	W106 L108 S143 F172 N174	W106-V145 HydrophobicContact CB-CG1 3.68Å; W106-V145 HydrophobicContact CD2-CG1 4.03Å; W106-V145 HydrophobicContact CE3-CG1 4.2Å; W106-V145 HydrophobicContact CG-CG1 3.84Å; L108-V145 HydrophobicContact CD2-CG1 4.11Å; L108-V145 HydrophobicContact CD2-CG2 4.23Å; S143-V145 PolarHBondContact O-N 3.09Å; V145-F172 HydrophobicContact CB-CB 3.89Å; V145-F172 WeakPolarHBondContact CB-O 3.24Å; V145-F172 HydrophobicContact CG1-CB 4.44Å; V145-F172 PolarHBondContact N-O 3.22Å; V145-N174 HydrophobicContact CG2-CB 4.31Å; V145-N174 WeakPolarHBondContact CG2-ND2 3.27Å
146	G	95.6	Very high	94.9	Very high	14 Å²	14	50 Å²	50	14%	0.144	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.5	170.5	173.6	0	0	0	0	0	114.1	F172	G146-F172 PolarHBondContact O-N 3.06Å
147	W	97	Very high	94.7	Very high	40 Å²	40	50.2 Å²	50.2	15%	0.152	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	139.6	176.8	-68.2	85.4	0	0	0	112.4	R104 W106 L117 L119 R130 V133 E134 E169 Q170 I171	R104-W147 PolarHBondContact NH1-O 3.18Å; W106-W147 WeakPolarHBondContact CH2-O 3.37Å; L117-W147 HydrophobicContact CD1-CH2 4.33Å; L117-W147 HydrophobicContact CD1-CZ3 4.01Å; L117-W147 HydrophobicContact CD2-CH2 4.14Å; L117-W147 HydrophobicContact CD2-CZ3 4.38Å; L119-W147 HydrophobicContact CD1-CZ3 4.45Å; R130-W147 HydrophobicContact CB-CH2 4.22Å; R130-W147 HydrophobicContact CB-CZ2 3.75Å; R130-W147 HydrophobicContact CG-CD2 4.11Å; R130-W147 HydrophobicContact CG-CE3 4.11Å; R130-W147 HydrophobicContact CG-CH2 3.62Å; R130-W147 HydrophobicContact CG-CZ2 3.58Å; R130-W147 HydrophobicContact CG-CZ3 3.88Å; V133-W147 HydrophobicContact CB-CH2 4.03Å; V133-W147 HydrophobicContact CB-CZ2 4.03Å; V133-W147 HydrophobicContact CG1-CH2 3.73Å; V133-W147 HydrophobicContact CG1-CZ2 3.79Å; V133-W147 HydrophobicContact CG2-CH2 4.36Å; E134-W147 HydrophobicContact CG-CZ2 4.42Å; E134-W147 PolarHBondContact OE1-NE1 2.88Å; W147-E169 HydrophobicContact CE3-CB 3.98Å; W147-E169 HydrophobicContact CZ3-CB 4.3Å; W147-Q170 CarbonylContact C-O 3.55Å; W147-Q170 VanDerWaalsContact CA-O 3.31Å; W147-Q170 WeakPolarHBondContact CA-O 3.34Å; W147-I171 HydrophobicContact CD2-CB 3.99Å; W147-I171 HydrophobicContact CD2-CD1 4.39Å; W147-I171 HydrophobicContact CD2-CG1 4.1Å; W147-I171 HydrophobicContact CE3-CB 3.93Å; W147-I171 HydrophobicContact CH2-CB 4.11Å; W147-I171 HydrophobicContact CH2-CD1 4.22Å; W147-I171 HydrophobicContact CZ2-CB 4.19Å; W147-I171 HydrophobicContact CZ2-CD1 3.58Å; W147-I171 HydrophobicContact CZ2-CG1 4.15Å; W147-I171 HydrophobicContact CZ3-CB 4Å
148	R	96.6	Very high	94.2	Very high	13 Å²	13	50.4 Å²	50.4	5%	0.049	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	108.6	178.1	170.5	176.6	-172.7	-98.5	-2.9	108.9	W106 V150 Q170 F172 D232	W106-R148 HydrophobicContact CH2-CB 4.32Å; R148-V150 PolarHBondContact O-N 3.1Å; R148-Q170 HydrophobicContact CB-CB 4.22Å; R148-Q170 PolarHBondContact N-O 3.02Å; R148-Q170 PolarHBondContact O-N 3.26Å; R148-F172 HydrophobicContact CB-CE2 3.98Å; R148-D232 IonicContact CZ-OD1 3.02Å; R148-D232 IonicContact CZ-OD2 3.17Å; R148-D232 IonicContact NH1-OD1 2.58Å; R148-D232 IonicContact NH1-OD2 3.77Å; R148-D232 PolarHBondContact NH1-OD2 2.98Å; R148-D232 VanDerWaalsContact NH2-CG 3.27Å; R148-D232 IonicContact NH2-OD1 3.87Å; R148-D232 PolarHBondContact NH2-OD1 3.14Å; R148-D232 IonicContact NH2-OD2 3.78Å; R148-D232 PolarHBondContact NH2-OD2 2.96Å
149	N	95.8	Very high	93.7	Very high	96 Å²	96	53.1 Å²	53.1	51%	0.513	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	129.4	164	-161.8	1.3	0	0	0	108.8	I168	N149-I168 PolarHBondContact OD1-O 3.28Å
150	V	96.9	Very high	93.2	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.03	28%	0.279	C	S	.	.			trans	-81.6	130.8	-172.9	178.9	0	0	0	0	109.6	M116 R148 T152 I168 Q170 Y217 Y230	M116-V150 HydrophobicContact CE-CG1 4.5Å; M116-V150 HydrophobicContact CE-CG2 4.35Å; M116-V150 HydrophobicContact SD-CG2 3.93Å; R148-V150 PolarHBondContact O-N 3.1Å; V150-T152 PolarHBondContact O-N 2.85Å; V150-T152 VanDerWaalsContact O-N 3.11Å; V150-I168 HydrophobicContact CB-CB 4.47Å; V150-I168 HydrophobicContact CB-CG2 4.01Å; V150-I168 WeakPolarHBondContact CB-O 3.46Å; V150-I168 HydrophobicContact CG2-CG2 3.98Å; V150-I168 WeakPolarHBondContact CG2-O 3.3Å; V150-I168 PolarHBondContact N-O 3.41Å; V150-Q170 HydrophobicContact CG2-CB 4.34Å; V150-Q170 HydrophobicContact CG2-CG 3.62Å; V150-Y217 HydrophobicContact CG1-CE1 4.3Å; V150-Y230 HydrophobicContact CG1-CD1 3.97Å; V150-Y230 HydrophobicContact CG1-CE1 4.15Å
151	P	96.1	Very high	92.9	Very high	49 Å²	49	47.6 Å²	47.6	32%	0.318	28%	0.276	S	S	.	.			trans	-65.9	111.3	178.6	-21.9	34.6	0	0	0	112	L231	P151-L231 HydrophobicContact CB-CB 4.11Å; P151-L231 HydrophobicContact CB-CD1 4.11Å; P151-L231 HydrophobicContact CB-CG 4.42Å; P151-L231 PolarHBondContact O-N 3.41Å; P151-L231 VanDerWaalsContact O-N 3.11Å
152	T	95.9	Very high	92.9	Very high	46 Å²	46	46.7 Å²	46.7	28%	0.282	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-122.9	160.2	178	55.8	0	0	0	0	112.8	V150 I168 F229 Y230	V150-T152 PolarHBondContact O-N 2.85Å; V150-T152 VanDerWaalsContact O-N 3.11Å; T152-I168 HydrophobicContact CG2-CD1 4.19Å; T152-F229 CarbonylContact C-O 3.57Å; T152-F229 WeakPolarHBondContact CA-O 3.3Å; T152-F229 HydrophobicContact CG2-CE1 4.14Å; T152-F229 HydrophobicContact CG2-CE2 4.1Å; T152-F229 HydrophobicContact CG2-CZ 3.77Å; T152-Y230 HydrophobicContact CG2-CD1 3.89Å; T152-Y230 HydrophobicContact CG2-CE1 3.99Å
153	N	95.4	Very high	92.5	Very high	72 Å²	72	50.7 Å²	50.7	39%	0.385	30%	0.296	S	S	.	.			trans	-126.4	97.9	174.2	175.3	16.1	0	0	0	110.6	G155 V156 R228 F229 L231	N153-G155 VanDerWaalsContact C-N 3.29Å; N153-G155 PolarHBondContact O-N 2.76Å; N153-G155 PolarHBondContact OD1-N 3.08Å; N153-V156 HydrophobicContact CB-CG2 4.35Å; N153-V156 WeakPolarHBondContact ND2-CG2 3.38Å; N153-R228 VanDerWaalsContact CB-O 3.32Å; N153-R228 WeakPolarHBondContact CB-O 3.2Å; N153-R228 PolarHBondContact ND2-O 2.64Å; N153-F229 PolarHBondContact N-O 3.38Å; N153-F229 WeakPolarHBondContact O-CD2 3.44Å; N153-L231 HydrophobicContact CB-CD2 4.23Å
154	E	92.8	Very high	92.2	Very high	109 Å²	109	49.4 Å²	49.4	51%	0.509	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-66.3	-26.7	-174	-55.7	-176.1	173.7	0	0	113.6	V156 L157 L162 L165	E154-V156 PolarHBondContact O-N 2.94Å; E154-L157 WeakPolarHBondContact O-CB 3.19Å; E154-L157 PolarHBondContact O-N 3.26Å; E154-L162 HydrophobicContact CB-CD1 3.96Å; E154-L165 HydrophobicContact CB-CD2 4.46Å; E154-L165 HydrophobicContact CG-CD2 3.73Å
155	G	90.9	Very high	92	Very high	66 Å²	66	48.4 Å²	48.4	68%	0.68	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-67.1	-5.4	-174.6	0	0	0	0	0	115.6	N153	N153-G155 VanDerWaalsContact C-N 3.29Å; N153-G155 PolarHBondContact O-N 2.76Å; N153-G155 PolarHBondContact OD1-N 3.08Å
156	V	90.6	Very high	91.9	Very high	24 Å²	24	47.7 Å²	47.7	15%	0.145	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-86.5	-26	175.3	-163.7	0	0	0	0	111.3	N153 E154 D225 R228	N153-V156 HydrophobicContact CB-CG2 4.35Å; N153-V156 WeakPolarHBondContact ND2-CG2 3.38Å; E154-V156 PolarHBondContact O-N 2.94Å; V156-D225 HydrophobicContact CG1-CB 3.51Å; V156-D225 VanDerWaalsContact CG1-OD1 3.26Å; V156-D225 WeakPolarHBondContact CG1-OD1 3.44Å; V156-R228 HydrophobicContact CG1-CB 4.36Å; V156-R228 HydrophobicContact CG2-CB 4.23Å
157	L	91.1	Very high	91.9	Very high	13 Å²	13	51.8 Å²	51.8	7%	0.068	29%	0.289	C	S	.	.	S	Bend	trans	-73.1	154.1	-173	-59.1	-177.6	0	0	0	113	E154 A161 L162 L165 C221 F229 W257	E154-L157 WeakPolarHBondContact O-CB 3.19Å; E154-L157 PolarHBondContact O-N 3.26Å; L157-A161 HydrophobicContact CB-CB 4.2Å; L157-A161 HydrophobicContact CD2-CB 4.49Å; L157-L162 HydrophobicContact CB-CD1 4.26Å; L157-L162 HydrophobicContact CD1-CD1 4.35Å; L157-L165 HydrophobicContact CD1-CD1 4.2Å; L157-L165 HydrophobicContact CD1-CD2 4.21Å; L157-C221 HydrophobicContact CD2-CB 3.72Å; L157-F229 HydrophobicContact CD1-CD2 4.16Å; L157-F229 HydrophobicContact CD1-CE2 3.76Å; L157-F229 HydrophobicContact CD1-CZ 4.44Å; L157-F229 HydrophobicContact CD2-CD2 3.91Å; L157-F229 HydrophobicContact CD2-CE2 4.26Å; L157-F229 HydrophobicContact CD2-CG 4.29Å; L157-F229 HydrophobicContact CG-CD2 4.05Å; L157-F229 HydrophobicContact CG-CE2 4.17Å; L157-W257 HydrophobicContact CD1-CH2 4.1Å; L157-W257 HydrophobicContact CD1-CZ2 3.98Å
158	G	86.7	Confident	91.9	Very high	4 Å²	4	50.2 Å²	50.2	4%	0.041	28%	0.283	C	S	.	.			trans	-76.2	162.3	164.8	0	0	0	0	0	111.9	D79 T82 I160 A161 L162	D79-G158 WeakPolarHBondContact OD2-CA 3.44Å; T82-G158 WeakPolarHBondContact OG1-CA 3.42Å; G158-I160 PolarHBondContact O-N 3.47Å; G158-A161 PolarHBondContact O-N 2.77Å; G158-L162 WeakPolarHBondContact O-CB 3.32Å; G158-L162 PolarHBondContact O-N 2.77Å
159	E	85.3	Confident	92	Very high	169 Å²	169	50.2 Å²	50.2	79%	0.79	28%	0.283	S	S	*	.	H	α-helix	trans	-61.1	-35.9	-177	-172	172.4	-171.4	0	0	111.7	D79 L162 S163	D79-E159 PolarHBondContact OD2-N 2.83Å; E159-L162 PolarHBondContact O-N 2.74Å; E159-S163 WeakPolarHBondContact O-CB 3.26Å; E159-S163 PolarHBondContact O-N 3.18Å
160	I	83.8	Confident	92.1	Very high	49 Å²	49	45.7 Å²	45.7	25%	0.251	26%	0.259	S	S	.	.	H	α-helix	trans	-62	-51.1	176.6	-58.3	174.1	0	0	0	110.2	L77 D79 T82 G158 L162 S163 P255	L77-I160 HydrophobicContact CB-CD1 4.03Å; L77-I160 HydrophobicContact CD1-CD1 4.29Å; L77-I160 HydrophobicContact CD1-CG2 4.18Å; D79-I160 HydrophobicContact CB-CD1 4.12Å; D79-I160 HydrophobicContact CB-CG1 4.35Å; D79-I160 PolarHBondContact OD2-N 3.14Å; T82-I160 HydrophobicContact CG2-CB 4.38Å; T82-I160 HydrophobicContact CG2-CG2 4.46Å; G158-I160 PolarHBondContact O-N 3.47Å; I160-L162 PolarHBondContact O-N 3.29Å; I160-S163 PolarHBondContact O-N 3.21Å; I160-S163 PolarHBondContact O-OG 3.44Å; I160-P255 HydrophobicContact CG2-CG 3.92Å
161	A	87.9	Confident	92.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64	-39	177.8	0	0	0	0	0	113.5	T82 L157 G158 S163 S164 L165 L220 W257	T82-A161 HydrophobicContact CG2-CB 3.85Å; T82-A161 PolarHBondContact OG1-N 3.19Å; L157-A161 HydrophobicContact CB-CB 4.2Å; L157-A161 HydrophobicContact CD2-CB 4.49Å; G158-A161 PolarHBondContact O-N 2.77Å; A161-S163 VanDerWaalsContact C-N 3.32Å; A161-S163 PolarHBondContact O-N 3.47Å; A161-S164 PolarHBondContact O-N 3.24Å; A161-S164 PolarHBondContact O-OG 3.04Å; A161-L165 PolarHBondContact O-N 3.42Å; A161-L165 VanDerWaalsContact O-N 3.08Å; A161-L220 HydrophobicContact CB-CB 3.79Å; A161-L220 WeakPolarHBondContact CB-O 3.47Å; A161-W257 PolarHBondContact O-NE1 3.46Å
162	L	90.4	Very high	92.2	Very high	74 Å²	74	43.1 Å²	43.1	39%	0.387	24%	0.243	S	C	.	.	H	α-helix	trans	-63.9	-39	178.8	-156.6	89.4	0	0	0	111.4	K121 E154 L157 G158 E159 I160 S164 L165	K121-L162 PolarHBondContact NZ-O 3.11Å; E154-L162 HydrophobicContact CB-CD1 3.96Å; L157-L162 HydrophobicContact CB-CD1 4.26Å; L157-L162 HydrophobicContact CD1-CD1 4.35Å; G158-L162 WeakPolarHBondContact O-CB 3.32Å; G158-L162 PolarHBondContact O-N 2.77Å; E159-L162 PolarHBondContact O-N 2.74Å; I160-L162 PolarHBondContact O-N 3.29Å; L162-S164 PolarHBondContact O-N 3.14Å; L162-L165 PolarHBondContact O-N 3.14Å
163	S	87	Confident	92.3	Very high	88 Å²	88	40.9 Å²	40.9	62%	0.615	23%	0.229	S	C	*	.	H	α-helix	trans	-58	-30.4	179	80	0	0	0	0	113.1	K121 E159 I160 A161	K121-S163 VanDerWaalsContact NZ-C 3.27Å; K121-S163 PolarHBondContact NZ-O 3.17Å; E159-S163 WeakPolarHBondContact O-CB 3.26Å; E159-S163 PolarHBondContact O-N 3.18Å; I160-S163 PolarHBondContact O-N 3.21Å; I160-S163 PolarHBondContact O-OG 3.44Å; A161-S163 VanDerWaalsContact C-N 3.32Å; A161-S163 PolarHBondContact O-N 3.47Å
164	S	87.4	Confident	92.3	Very high	43 Å²	43	38.6 Å²	38.6	30%	0.301	22%	0.217	S	C	.	.	H	α-helix	trans	-111.3	2.2	-178.1	62.1	0	0	0	0	115.3	A161 L162 P166 W257	A161-S164 PolarHBondContact O-N 3.24Å; A161-S164 PolarHBondContact O-OG 3.04Å; L162-S164 PolarHBondContact O-N 3.14Å; S164-P166 VanDerWaalsContact O-CD 3.27Å; S164-P166 WeakPolarHBondContact O-CD 3.15Å; S164-W257 PolarHBondContact O-NE1 3.12Å; S164-W257 PolarHBondContact OG-NE1 3.28Å
165	L	92.9	Very high	92.4	Very high	13 Å²	13	34.1 Å²	34.1	7%	0.068	20%	0.198	C	C	.	.			trans	-54.6	111.3	-178.2	173.7	65	0	0	0	113.3	K121 E154 L157 A161 L162 I168 F229 W257	K121-L165 WeakPolarHBondContact CE-O 3.45Å; E154-L165 HydrophobicContact CB-CD2 4.46Å; E154-L165 HydrophobicContact CG-CD2 3.73Å; L157-L165 HydrophobicContact CD1-CD1 4.2Å; L157-L165 HydrophobicContact CD1-CD2 4.21Å; A161-L165 PolarHBondContact O-N 3.42Å; A161-L165 VanDerWaalsContact O-N 3.08Å; L162-L165 PolarHBondContact O-N 3.14Å; L165-I168 HydrophobicContact CD1-CD1 4.06Å; L165-F229 HydrophobicContact CD1-CE2 4.2Å; L165-F229 HydrophobicContact CD1-CZ 3.82Å; L165-W257 HydrophobicContact CB-CZ2 4.14Å; L165-W257 HydrophobicContact CD1-CH2 3.47Å; L165-W257 VanDerWaalsContact CD1-CH2 3.47Å; L165-W257 HydrophobicContact CD1-CZ2 3.51Å; L165-W257 HydrophobicContact CD1-CZ3 4.09Å; L165-W257 HydrophobicContact CG-CZ2 4.43Å
166	P	94.2	Very high	92.5	Very high	14 Å²	14	32.7 Å²	32.7	9%	0.091	18%	0.177	C	C	.	.			trans	-71.8	167	176.9	30	-35.3	0	0	0	112	F118 S164 I168 W257	F118-P166 HydrophobicContact CB-CB 3.68Å; F118-P166 HydrophobicContact CB-CG 3.75Å; F118-P166 HydrophobicContact CD1-CB 4.46Å; F118-P166 HydrophobicContact CD1-CG 3.75Å; F118-P166 HydrophobicContact CD2-CG 3.89Å; F118-P166 HydrophobicContact CE1-CG 4.3Å; F118-P166 HydrophobicContact CE2-CG 4.43Å; F118-P166 HydrophobicContact CG-CB 4.06Å; F118-P166 HydrophobicContact CG-CG 3.52Å; S164-P166 VanDerWaalsContact O-CD 3.27Å; S164-P166 WeakPolarHBondContact O-CD 3.15Å; P166-I168 HydrophobicContact CG-CG1 4.2Å; P166-I168 PolarHBondContact O-N 2.78Å; P166-W257 VanDerWaalsContact CD-CD2 3.47Å; P166-W257 VanDerWaalsContact CD-CG 3.48Å; P166-W257 HydrophobicContact CG-CB 4.23Å; P166-W257 HydrophobicContact CG-CD2 4.21Å; P166-W257 HydrophobicContact CG-CE3 4.34Å; P166-W257 HydrophobicContact CG-CG 4.15Å
167	R	95.6	Very high	92.4	Very high	101 Å²	101	36.6 Å²	36.6	38%	0.381	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	121.6	162.2	-75.4	-177.9	-178.1	-83.1	-7.6	108.6	F118 L119 N120 K121	F118-R167 WeakPolarHBondContact CA-O 3.34Å; L119-R167 HydrophobicContact CB-CB 4.1Å; L119-R167 PolarHBondContact N-O 2.94Å; L119-R167 PolarHBondContact O-N 3.33Å; N120-R167 VanDerWaalsContact O-CD 3.3Å; N120-R167 WeakPolarHBondContact O-CD 3.36Å; K121-R167 PolarHBondContact O-NE 3.03Å; K121-R167 PolarHBondContact O-NH2 3Å
168	I	97.3	Very high	92.3	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.036	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	102.1	-174.4	-54	164.9	0	0	0	109	M116 F118 N149 V150 T152 L165 P166 F229 Y230 W257	M116-I168 HydrophobicContact CE-CG2 3.41Å; M116-I168 VanDerWaalsContact CE-CG2 3.41Å; M116-I168 HydrophobicContact SD-CG2 3.99Å; F118-I168 HydrophobicContact CD1-CB 4.46Å; F118-I168 HydrophobicContact CD1-CG1 3.85Å; F118-I168 HydrophobicContact CD1-CG2 4.21Å; F118-I168 HydrophobicContact CE1-CD1 4.27Å; F118-I168 HydrophobicContact CE1-CG1 3.85Å; F118-I168 HydrophobicContact CE1-CG2 4.06Å; N149-I168 PolarHBondContact OD1-O 3.28Å; V150-I168 HydrophobicContact CB-CB 4.47Å; V150-I168 HydrophobicContact CB-CG2 4.01Å; V150-I168 WeakPolarHBondContact CB-O 3.46Å; V150-I168 HydrophobicContact CG2-CG2 3.98Å; V150-I168 WeakPolarHBondContact CG2-O 3.3Å; V150-I168 PolarHBondContact N-O 3.41Å; T152-I168 HydrophobicContact CG2-CD1 4.19Å; L165-I168 HydrophobicContact CD1-CD1 4.06Å; P166-I168 HydrophobicContact CG-CG1 4.2Å; P166-I168 PolarHBondContact O-N 2.78Å; I168-F229 HydrophobicContact CD1-CE1 4.1Å; I168-F229 HydrophobicContact CD1-CZ 3.81Å; I168-Y230 HydrophobicContact CD1-CE1 4.04Å; I168-Y230 HydrophobicContact CG2-CE1 4.17Å; I168-W257 HydrophobicContact CD1-CZ3 4.19Å
169	E	97.8	Very high	92.6	Very high	12 Å²	12	43.1 Å²	43.1	6%	0.056	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	145.2	-178.3	-62	-168.4	-159.1	0	0	111.3	L117 L119 R130 W147	L117-E169 PolarHBondContact N-O 2.94Å; L117-E169 PolarHBondContact O-N 2.7Å; L119-E169 HydrophobicContact CD1-CB 4.12Å; L119-E169 HydrophobicContact CD1-CG 4.08Å; R130-E169 WeakPolarHBondContact CD-OE2 3.32Å; R130-E169 IonicContact CZ-OE1 2.7Å; R130-E169 IonicContact CZ-OE2 3.75Å; R130-E169 IonicContact NH1-OE1 2.85Å; R130-E169 PolarHBondContact NH1-OE1 3.44Å; R130-E169 IonicContact NH1-OE2 3.24Å; R130-E169 PolarHBondContact NH1-OE2 2.92Å; W147-E169 HydrophobicContact CE3-CB 3.98Å; W147-E169 HydrophobicContact CZ3-CB 4.3Å
170	Q	98	Very high	92.9	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	144.1	172.2	-76.2	168.6	-1.7	0	0	111.1	V114 G115 M116 W147 R148 V150 F172 Y217	V114-Q170 HydrophobicContact CG1-CB 4.14Å; V114-Q170 HydrophobicContact CG1-CG 4.18Å; G115-Q170 CarbonylContact O-C 3.48Å; G115-Q170 WeakPolarHBondContact O-CA 3.36Å; G115-Q170 WeakPolarHBondContact O-CB 3.32Å; G115-Q170 WeakPolarHBondContact O-CG 3.36Å; M116-Q170 HydrophobicContact SD-CG 3.64Å; W147-Q170 CarbonylContact C-O 3.55Å; W147-Q170 VanDerWaalsContact CA-O 3.31Å; W147-Q170 WeakPolarHBondContact CA-O 3.34Å; R148-Q170 HydrophobicContact CB-CB 4.22Å; R148-Q170 PolarHBondContact N-O 3.02Å; R148-Q170 PolarHBondContact O-N 3.26Å; V150-Q170 HydrophobicContact CG2-CB 4.34Å; V150-Q170 HydrophobicContact CG2-CG 3.62Å; Q170-F172 HydrophobicContact CB-CE2 4.21Å; Q170-Y217 PolarHBondContact NE2-OH 3.36Å; Q170-Y217 VanDerWaalsContact NE2-OH 3.1Å
171	I	97.8	Very high	93.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.9	171.2	-169	-178.7	0	0	0	110.2	V114 G115 L117 V133 E134 L137 I144 W147 V173 L210	V114-I171 CarbonylContact C-O 3.51Å; V114-I171 WeakPolarHBondContact CA-O 3.49Å; G115-I171 PolarHBondContact N-O 3.01Å; G115-I171 PolarHBondContact O-N 3.22Å; L117-I171 HydrophobicContact CD1-CB 4.43Å; L117-I171 HydrophobicContact CD1-CG2 3.7Å; V133-I171 HydrophobicContact CG1-CD1 3.96Å; E134-I171 HydrophobicContact CG-CD1 4.42Å; L137-I171 HydrophobicContact CD1-CD1 3.77Å; I144-I171 HydrophobicContact CD1-CD1 4.11Å; I144-I171 HydrophobicContact CG2-CD1 4.04Å; I144-I171 HydrophobicContact CG2-CG1 4.25Å; W147-I171 HydrophobicContact CD2-CB 3.99Å; W147-I171 HydrophobicContact CD2-CD1 4.39Å; W147-I171 HydrophobicContact CD2-CG1 4.1Å; W147-I171 HydrophobicContact CE3-CB 3.93Å; W147-I171 HydrophobicContact CH2-CB 4.11Å; W147-I171 HydrophobicContact CH2-CD1 4.22Å; W147-I171 HydrophobicContact CZ2-CB 4.19Å; W147-I171 HydrophobicContact CZ2-CD1 3.58Å; W147-I171 HydrophobicContact CZ2-CG1 4.15Å; W147-I171 HydrophobicContact CZ3-CB 4Å; I171-V173 HydrophobicContact CD1-CG1 4.22Å; I171-V173 HydrophobicContact CG1-CG1 4.29Å; I171-L210 HydrophobicContact CG2-CD1 4.44Å
172	F	98.1	Very high	93.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	128.6	177	-72.1	-112.7	0	0	0	109.5	F97 V100 W106 L108 Y112 V114 V145 G146 R148 Q170	F97-F172 HydrophobicContact CB-CE1 4.02Å; F97-F172 AromaticContact CD1-CE1 3.77Å; F97-F172 HydrophobicContact CD1-CE1 3.77Å; F97-F172 AromaticContact CD1-CZ 3.53Å; F97-F172 HydrophobicContact CD1-CZ 3.53Å; F97-F172 AromaticContact CE1-CZ 3.96Å; F97-F172 HydrophobicContact CE1-CZ 3.96Å; F97-F172 HydrophobicContact CG-CE1 4.07Å; F97-F172 HydrophobicContact CG-CZ 4.3Å; V100-F172 HydrophobicContact CG1-CZ 4.4Å; W106-F172 HydrophobicContact CE3-CD2 4.45Å; W106-F172 HydrophobicContact CE3-CG 4.38Å; W106-F172 HydrophobicContact CZ3-CB 4.45Å; W106-F172 AromaticContact CZ3-CD2 3.68Å; W106-F172 HydrophobicContact CZ3-CD2 3.68Å; W106-F172 HydrophobicContact CZ3-CE2 4.06Å; W106-F172 HydrophobicContact CZ3-CG 4.03Å; L108-F172 HydrophobicContact CD1-CD1 4.36Å; L108-F172 HydrophobicContact CD2-CB 4.38Å; L108-F172 HydrophobicContact CD2-CD1 3.92Å; Y112-F172 HydrophobicContact CE2-CD1 4.47Å; V114-F172 HydrophobicContact CG1-CD2 4.43Å; V114-F172 HydrophobicContact CG1-CE2 4.11Å; V114-F172 HydrophobicContact CG1-CZ 4.17Å; V114-F172 HydrophobicContact CG2-CD1 3.73Å; V114-F172 HydrophobicContact CG2-CE1 3.66Å; V114-F172 HydrophobicContact CG2-CG 4.29Å; V114-F172 HydrophobicContact CG2-CZ 4.12Å; V145-F172 HydrophobicContact CB-CB 3.89Å; V145-F172 WeakPolarHBondContact CB-O 3.24Å; V145-F172 HydrophobicContact CG1-CB 4.44Å; V145-F172 PolarHBondContact N-O 3.22Å; G146-F172 PolarHBondContact O-N 3.06Å; R148-F172 HydrophobicContact CB-CE2 3.98Å; Q170-F172 HydrophobicContact CB-CE2 4.21Å
173	V	97	Very high	93.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	135.8	178.6	-62.1	0	0	0	0	112.7	Y112 A113 L137 L142 S143 I144 I171 M184 L188	Y112-V173 CarbonylContact C-O 3.49Å; Y112-V173 VanDerWaalsContact CA-O 3.25Å; Y112-V173 WeakPolarHBondContact CA-O 3.37Å; Y112-V173 WeakPolarHBondContact CB-O 3.38Å; A113-V173 HydrophobicContact CB-CG2 3.82Å; A113-V173 PolarHBondContact N-O 3.15Å; A113-V173 PolarHBondContact O-N 3.26Å; L137-V173 HydrophobicContact CD1-CG1 3.99Å; L142-V173 HydrophobicContact CB-CB 4.44Å; S143-V173 CarbonylContact O-C 3.54Å; S143-V173 WeakPolarHBondContact O-CA 3.48Å; I144-V173 HydrophobicContact CD1-CG1 3.57Å; I171-V173 HydrophobicContact CD1-CG1 4.22Å; I171-V173 HydrophobicContact CG1-CG1 4.29Å; V173-M184 HydrophobicContact CG2-CE 4.02Å; V173-L188 HydrophobicContact CG2-CD2 4.22Å
174	N	96.8	Very high	93.8	Very high	24 Å²	24	42.7 Å²	42.7	13%	0.128	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	137.8	177.4	-76.2	-27.4	0	0	0	111	R107 L108 A109 Y112 S143 V145	R107-N174 PolarHBondContact O-ND2 3.48Å; L108-N174 WeakPolarHBondContact CA-OD1 3.38Å; A109-N174 HydrophobicContact CB-CB 3.93Å; A109-N174 WeakPolarHBondContact CB-OD1 3.2Å; A109-N174 PolarHBondContact N-OD1 3.37Å; Y112-N174 WeakPolarHBondContact CB-OD1 3.48Å; S143-N174 PolarHBondContact N-O 3.37Å; S143-N174 VanDerWaalsContact N-O 3.08Å; S143-N174 PolarHBondContact O-N 3.4Å; V145-N174 HydrophobicContact CG2-CB 4.31Å; V145-N174 WeakPolarHBondContact CG2-ND2 3.27Å
175	A	94.8	Very high	94.1	Very high	14 Å²	14	41.5 Å²	41.5	12%	0.116	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-76.2	152.4	171.1	0	0	0	0	0	112	N111 M184	N111-A175 HydrophobicContact CB-CB 4.01Å; N111-A175 WeakPolarHBondContact O-CB 3.44Å; N111-A175 PolarHBondContact O-N 3.14Å; A175-M184 HydrophobicContact CB-CE 3.95Å; A175-M184 HydrophobicContact CB-CG 4.2Å; A175-M184 HydrophobicContact CB-SD 3.72Å
176	P	92.2	Very high	94.1	Very high	37 Å²	37	42.2 Å²	42.2	24%	0.24	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-54.5	151.5	162.1	-25.6	34.7	0	0	0	112.9	W179	P176-W179 HydrophobicContact CB-CD2 4.33Å; P176-W179 HydrophobicContact CB-CG 4.3Å; P176-W179 HydrophobicContact CG-CD2 4.11Å; P176-W179 HydrophobicContact CG-CH2 4.31Å; P176-W179 HydrophobicContact CG-CZ2 3.93Å; P176-W179 PolarHBondContact O-N 3.37Å
177	A	89.3	Confident	94.2	Very high	105 Å²	105	43.6 Å²	43.6	87%	0.868	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	139.9	175	0	0	0	0	0	111.2
178	G	88.9	Confident	94.2	Very high	81 Å²	81	38.9 Å²	38.9	84%	0.835	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	90	-17.8	179.4	0	0	0	0	0	115.4	R180	G178-R180 PolarHBondContact O-N 3.04Å
179	W	91.9	Very high	94.1	Very high	73 Å²	73	38.9 Å²	38.9	28%	0.277	22%	0.217	S	C	.	.			trans	-68.6	127.4	176.8	-75.6	26.6	0	0	0	111.6	N111 L142 P176 M184 R187	N111-W179 PolarHBondContact ND2-O 2.75Å; L142-W179 HydrophobicContact CD2-CZ3 3.96Å; P176-W179 HydrophobicContact CB-CD2 4.33Å; P176-W179 HydrophobicContact CB-CG 4.3Å; P176-W179 HydrophobicContact CG-CD2 4.11Å; P176-W179 HydrophobicContact CG-CH2 4.31Å; P176-W179 HydrophobicContact CG-CZ2 3.93Å; P176-W179 PolarHBondContact O-N 3.37Å; W179-M184 HydrophobicContact CE3-CB 4.09Å; W179-M184 HydrophobicContact CE3-CG 4.48Å; W179-R187 HydrophobicContact CH2-CB 4.07Å; W179-R187 HydrophobicContact CH2-CG 3.6Å; W179-R187 HydrophobicContact CZ3-CB 3.86Å; W179-R187 HydrophobicContact CZ3-CG 3.65Å
180	R	91.3	Very high	94	Very high	156 Å²	156	38.3 Å²	38.3	59%	0.589	21%	0.214	S	C	*	.			trans	-73.8	160.6	171.9	-53.5	169	-65.7	-173.7	1.2	109.3	G178 R182 D183 M184	G178-R180 PolarHBondContact O-N 3.04Å; R180-R182 VanDerWaalsContact C-N 3.33Å; R180-R182 PolarHBondContact O-N 3Å; R180-D183 WeakPolarHBondContact CB-OD2 3.35Å; R180-D183 WeakPolarHBondContact CG-OD2 3.35Å; R180-D183 IonicContact CZ-OD1 2.84Å; R180-D183 IonicContact CZ-OD2 2.69Å; R180-D183 PolarHBondContact N-OD2 3.17Å; R180-D183 VanDerWaalsContact N-OD2 3.1Å; R180-D183 IonicContact NE-OD1 2.7Å; R180-D183 PolarHBondContact NE-OD1 3.48Å; R180-D183 IonicContact NE-OD2 3.84Å; R180-D183 PolarHBondContact NE-OD2 2.69Å; R180-D183 IonicContact NH2-OD1 3.46Å; R180-D183 PolarHBondContact NH2-OD1 2.96Å; R180-D183 IonicContact NH2-OD2 2.72Å; R180-D183 PolarHBondContact NH2-OD2 3.42Å; R180-D183 PolarHBondContact O-N 3.49Å; R180-M184 PolarHBondContact O-N 3.34Å
181	P	90.7	Very high	93.9	Very high	67 Å²	67	38.3 Å²	38.3	44%	0.435	21%	0.214	S	C	.	.	H	α-helix	trans	-52.8	-48.1	-179.5	-29.2	36.3	0	0	0	113.4	D183 M184 E185 N212 L213	P181-D183 VanDerWaalsContact C-N 3.27Å; P181-D183 PolarHBondContact O-N 3.18Å; P181-M184 WeakPolarHBondContact O-CB 3.26Å; P181-M184 PolarHBondContact O-N 3.19Å; P181-E185 PolarHBondContact O-N 2.93Å; P181-E185 VanDerWaalsContact O-N 3.1Å; P181-N212 VanDerWaalsContact CA-ND2 3.35Å; P181-N212 WeakPolarHBondContact CA-ND2 3.43Å; P181-N212 PolarHBondContact O-ND2 3.31Å; P181-L213 HydrophobicContact CB-CD2 3.88Å
182	R	90.2	Very high	93.7	Very high	115 Å²	115	38.6 Å²	38.6	43%	0.434	22%	0.215	S	C	.	.	H	α-helix	trans	-61.5	-26.8	175.9	-69.5	-175.3	173.7	-174	-6.4	114.7	R180 R186 D374	R180-R182 VanDerWaalsContact C-N 3.33Å; R180-R182 PolarHBondContact O-N 3Å; R182-R186 WeakPolarHBondContact O-CG 3.27Å; R182-R186 PolarHBondContact O-N 3.42Å; R182-R186 PolarHBondContact O-NH1 3.39Å; R182-D374 IonicContact NH2-OD2 2.68Å
183	D	92.5	Very high	93.6	Very high	33 Å²	33	39.4 Å²	39.4	18%	0.176	22%	0.218	C	C	.	.	H	α-helix	trans	-75.6	-36.7	178.4	-52.9	-37.7	0	0	0	110.4	R180 P181 R186	R180-D183 WeakPolarHBondContact CB-OD2 3.35Å; R180-D183 WeakPolarHBondContact CG-OD2 3.35Å; R180-D183 IonicContact CZ-OD1 2.84Å; R180-D183 IonicContact CZ-OD2 2.69Å; R180-D183 PolarHBondContact N-OD2 3.17Å; R180-D183 VanDerWaalsContact N-OD2 3.1Å; R180-D183 IonicContact NE-OD1 2.7Å; R180-D183 PolarHBondContact NE-OD1 3.48Å; R180-D183 IonicContact NE-OD2 3.84Å; R180-D183 PolarHBondContact NE-OD2 2.69Å; R180-D183 IonicContact NH2-OD1 3.46Å; R180-D183 PolarHBondContact NH2-OD1 2.96Å; R180-D183 IonicContact NH2-OD2 2.72Å; R180-D183 PolarHBondContact NH2-OD2 3.42Å; R180-D183 PolarHBondContact O-N 3.49Å; P181-D183 VanDerWaalsContact C-N 3.27Å; P181-D183 PolarHBondContact O-N 3.18Å; D183-R186 IonicContact OD1-NH1 3.29Å; D183-R186 PolarHBondContact OD1-NH1 3.32Å
184	M	94.5	Very high	93.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-66.3	-44.7	172.6	-171.7	-171.4	-165.8	0	0	111.9	N111 A113 L142 V173 A175 W179 R180 P181 R186 R187 L188 N212	N111-M184 PolarHBondContact OD1-SD 2.75Å; A113-M184 HydrophobicContact CB-CE 3.54Å; A113-M184 HydrophobicContact CB-SD 4.12Å; L142-M184 HydrophobicContact CD2-CE 3.99Å; L142-M184 HydrophobicContact CD2-CG 4.31Å; V173-M184 HydrophobicContact CG2-CE 4.02Å; A175-M184 HydrophobicContact CB-CE 3.95Å; A175-M184 HydrophobicContact CB-CG 4.2Å; A175-M184 HydrophobicContact CB-SD 3.72Å; W179-M184 HydrophobicContact CE3-CB 4.09Å; W179-M184 HydrophobicContact CE3-CG 4.48Å; R180-M184 PolarHBondContact O-N 3.34Å; P181-M184 WeakPolarHBondContact O-CB 3.26Å; P181-M184 PolarHBondContact O-N 3.19Å; M184-R186 VanDerWaalsContact C-N 3.29Å; M184-R186 PolarHBondContact O-N 3.08Å; M184-R187 PolarHBondContact O-N 3.39Å; M184-L188 HydrophobicContact CE-CD1 4.2Å; M184-L188 HydrophobicContact CG-CD1 3.79Å; M184-L188 HydrophobicContact CG-CG 4.15Å; M184-L188 WeakPolarHBondContact O-CG 3.46Å; M184-L188 PolarHBondContact O-N 3.33Å; M184-L188 HydrophobicContact SD-CD1 4.21Å; M184-N212 WeakPolarHBondContact CB-ND2 3.36Å; M184-N212 HydrophobicContact SD-CB 3.8Å; M184-N212 PolarHBondContact SD-ND2 3.41Å
185	E	93.9	Very high	93.4	Very high	18 Å²	18	39.4 Å²	39.4	8%	0.084	22%	0.217	C	C	.	.	H	α-helix	trans	-56	-41.4	178.3	-68	-58.6	89.7	0	0	112.5	P181 R187 L188 F189 S211 N212 L213	P181-E185 PolarHBondContact O-N 2.93Å; P181-E185 VanDerWaalsContact O-N 3.1Å; E185-R187 VanDerWaalsContact C-N 3.32Å; E185-R187 PolarHBondContact O-N 3.25Å; E185-L188 PolarHBondContact O-N 3.21Å; E185-L188 WeakPolarHBondContact OE1-CD1 3.23Å; E185-F189 WeakPolarHBondContact O-CB 3.46Å; E185-F189 PolarHBondContact O-N 2.91Å; E185-S211 VanDerWaalsContact CD-OG 3.31Å; E185-S211 WeakPolarHBondContact OE1-CA 3.34Å; E185-S211 PolarHBondContact OE1-OG 2.89Å; E185-S211 VanDerWaalsContact OE2-CB 3.24Å; E185-S211 WeakPolarHBondContact OE2-CB 3.34Å; E185-S211 PolarHBondContact OE2-OG 3.43Å; E185-N212 WeakPolarHBondContact CG-OD1 3.27Å; E185-N212 VanDerWaalsContact OE1-CG 3.31Å; E185-N212 PolarHBondContact OE1-N 3.22Å; E185-N212 PolarHBondContact OE1-OD1 3.43Å; E185-L213 HydrophobicContact CG-CD1 3.77Å; E185-L213 HydrophobicContact CG-CG 3.91Å
186	R	94.3	Very high	93.3	Very high	29 Å²	29	40.4 Å²	40.4	11%	0.109	22%	0.219	C	C	.	.	H	α-helix	trans	-61.2	-38.5	176.9	-68.6	-174.7	-157.5	100.9	4	113.1	R182 D183 M184 I190 I294 A323	R182-R186 WeakPolarHBondContact O-CG 3.27Å; R182-R186 PolarHBondContact O-N 3.42Å; R182-R186 PolarHBondContact O-NH1 3.39Å; D183-R186 IonicContact OD1-NH1 3.29Å; D183-R186 PolarHBondContact OD1-NH1 3.32Å; M184-R186 VanDerWaalsContact C-N 3.29Å; M184-R186 PolarHBondContact O-N 3.08Å; R186-I190 PolarHBondContact O-N 2.67Å; R186-I294 HydrophobicContact CB-CD1 3.93Å; R186-I294 HydrophobicContact CB-CG1 4.12Å; R186-I294 HydrophobicContact CG-CD1 3.99Å; R186-I294 HydrophobicContact CG-CG1 4.25Å; R186-A323 WeakPolarHBondContact CD-O 3.46Å; R186-A323 WeakPolarHBondContact CG-O 3.45Å; R186-A323 PolarHBondContact NE-O 2.93Å; R186-A323 VanDerWaalsContact NE-O 3.14Å
187	R	94.6	Very high	93.2	Very high	43 Å²	43	43.2 Å²	43.2	16%	0.162	23%	0.227	C	C	.	.	H	α-helix	trans	-79.3	-32.2	178.5	-55.7	-45.4	-60.1	173.4	4.5	112	E140 W179 M184 E185 I190 A191 D296	E140-R187 HydrophobicContact CB-CB 4.48Å; E140-R187 IonicContact OE1-CZ 3.64Å; E140-R187 IonicContact OE1-NE 3.7Å; E140-R187 IonicContact OE1-NH2 2.84Å; E140-R187 PolarHBondContact OE1-NH2 3.16Å; E140-R187 IonicContact OE2-CZ 3.42Å; E140-R187 IonicContact OE2-NE 3.65Å; E140-R187 PolarHBondContact OE2-NE 3.04Å; E140-R187 IonicContact OE2-NH2 3.6Å; E140-R187 PolarHBondContact OE2-NH2 3.04Å; W179-R187 HydrophobicContact CH2-CB 4.07Å; W179-R187 HydrophobicContact CH2-CG 3.6Å; W179-R187 HydrophobicContact CZ3-CB 3.86Å; W179-R187 HydrophobicContact CZ3-CG 3.65Å; M184-R187 PolarHBondContact O-N 3.39Å; E185-R187 VanDerWaalsContact C-N 3.32Å; E185-R187 PolarHBondContact O-N 3.25Å; R187-I190 PolarHBondContact O-N 2.83Å; R187-A191 WeakPolarHBondContact O-CB 3.44Å; R187-A191 PolarHBondContact O-N 2.97Å; R187-D296 IonicContact CZ-OD1 4Å; R187-D296 IonicContact CZ-OD2 3.64Å; R187-D296 IonicContact NH1-OD1 2.69Å; R187-D296 PolarHBondContact NH1-OD1 3.16Å; R187-D296 IonicContact NH1-OD2 2.68Å; R187-D296 PolarHBondContact NH1-OD2 2.84Å; R187-D296 IonicContact NH2-OD1 3.79Å; R187-D296 IonicContact NH2-OD2 3.17Å; R187-D296 PolarHBondContact NH2-OD2 2.54Å
188	L	96.1	Very high	93.5	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-40.2	170.2	-69.8	169.1	0	0	0	111.9	A113 L137 L142 V173 M184 E185 A191 R192 L210	A113-L188 HydrophobicContact CB-CD1 3.56Å; A113-L188 HydrophobicContact CB-CD2 4.38Å; L137-L188 HydrophobicContact CD2-CD2 3.83Å; L142-L188 HydrophobicContact CD1-CD2 3.48Å; L142-L188 VanDerWaalsContact CD1-CD2 3.48Å; L142-L188 HydrophobicContact CD1-CG 4.22Å; V173-L188 HydrophobicContact CG2-CD2 4.22Å; M184-L188 HydrophobicContact CE-CD1 4.2Å; M184-L188 HydrophobicContact CG-CD1 3.79Å; M184-L188 HydrophobicContact CG-CG 4.15Å; M184-L188 WeakPolarHBondContact O-CG 3.46Å; M184-L188 PolarHBondContact O-N 3.33Å; M184-L188 HydrophobicContact SD-CD1 4.21Å; E185-L188 PolarHBondContact O-N 3.21Å; E185-L188 WeakPolarHBondContact OE1-CD1 3.23Å; L188-A191 PolarHBondContact O-N 2.72Å; L188-R192 WeakPolarHBondContact O-CB 3.41Å; L188-R192 PolarHBondContact O-N 3.22Å; L188-L210 HydrophobicContact CD2-CD1 4.14Å; L188-L210 HydrophobicContact CD2-CG 4.03Å
189	F	95.2	Very high	93.7	Very high	7 Å²	7	40.4 Å²	40.4	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-57.2	-51.2	171.7	169	-104.3	0	0	0	111.5	E185 R192 R193 L297 A300 E319 L320 A323	E185-F189 WeakPolarHBondContact O-CB 3.46Å; E185-F189 PolarHBondContact O-N 2.91Å; F189-R192 PolarHBondContact O-N 3.22Å; F189-R193 HydrophobicContact CD2-CG 4.19Å; F189-R193 HydrophobicContact CE1-CG 4.45Å; F189-R193 HydrophobicContact CE2-CG 3.82Å; F189-R193 HydrophobicContact CZ-CG 3.96Å; F189-R193 WeakPolarHBondContact O-CG 3.22Å; F189-R193 PolarHBondContact O-N 3.48Å; F189-L297 HydrophobicContact CE1-CD1 3.98Å; F189-A300 HydrophobicContact CE1-CB 4.11Å; F189-A300 HydrophobicContact CZ-CB 4.41Å; F189-E319 HydrophobicContact CD2-CG 3.61Å; F189-E319 HydrophobicContact CE2-CG 3.8Å; F189-L320 HydrophobicContact CZ-CD1 4.49Å; F189-A323 HydrophobicContact CD1-CB 3.99Å; F189-A323 HydrophobicContact CE1-CB 4.39Å; F189-A323 HydrophobicContact CG-CB 4.18Å
190	I	95.5	Very high	93.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.9	-47.3	177.2	-69.4	-56.7	0	0	0	111.9	R186 R187 R192 R193 R194 I294 A300	R186-I190 PolarHBondContact O-N 2.67Å; R187-I190 PolarHBondContact O-N 2.83Å; I190-R192 VanDerWaalsContact C-N 3.34Å; I190-R192 PolarHBondContact O-N 3.47Å; I190-R193 PolarHBondContact O-N 2.69Å; I190-R194 VanDerWaalsContact CG2-NH1 3.35Å; I190-R194 WeakPolarHBondContact O-CG 3.22Å; I190-R194 PolarHBondContact O-N 2.68Å; I190-I294 HydrophobicContact CD1-CG2 3.75Å; I190-I294 HydrophobicContact CG1-CG2 3.75Å; I190-A300 HydrophobicContact CD1-CB 3.69Å
191	A	95.5	Very high	93.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-55.5	-49.2	174.7	0	0	0	0	0	111	L137 E140 R187 L188 R193 R194 I195	L137-A191 HydrophobicContact CD2-CB 4Å; E140-A191 HydrophobicContact CG-CB 4Å; R187-A191 WeakPolarHBondContact O-CB 3.44Å; R187-A191 PolarHBondContact O-N 2.97Å; L188-A191 PolarHBondContact O-N 2.72Å; A191-R193 PolarHBondContact O-N 3.47Å; A191-R194 PolarHBondContact O-N 3.19Å; A191-I195 WeakPolarHBondContact O-CB 3.31Å; A191-I195 WeakPolarHBondContact O-CD1 3.34Å; A191-I195 WeakPolarHBondContact O-CG1 3.39Å; A191-I195 PolarHBondContact O-N 3.25Å
192	R	95.5	Very high	93.4	Very high	7 Å²	7	39.7 Å²	39.7	3%	0.026	19%	0.189	C	C	.	.	H	α-helix	trans	-61.3	-46.7	-178.9	-160.9	-160	67.4	-138.1	-10	112.2	L188 F189 I190 R194 I195 E196 V207 L210 E319	L188-R192 WeakPolarHBondContact O-CB 3.41Å; L188-R192 PolarHBondContact O-N 3.22Å; F189-R192 PolarHBondContact O-N 3.22Å; I190-R192 VanDerWaalsContact C-N 3.34Å; I190-R192 PolarHBondContact O-N 3.47Å; R192-R194 VanDerWaalsContact C-N 3.29Å; R192-R194 PolarHBondContact O-N 2.74Å; R192-I195 WeakPolarHBondContact O-CB 3.34Å; R192-I195 PolarHBondContact O-N 2.84Å; R192-E196 HydrophobicContact CG-CG 4.31Å; R192-E196 IonicContact CZ-OE2 2.74Å; R192-E196 IonicContact NE-OE1 3.55Å; R192-E196 PolarHBondContact NE-OE1 2.9Å; R192-E196 VanDerWaalsContact NE-OE1 3.14Å; R192-E196 IonicContact NE-OE2 2.75Å; R192-E196 PolarHBondContact NE-OE2 3.49Å; R192-E196 VanDerWaalsContact NE-OE2 3.09Å; R192-E196 IonicContact NH2-OE2 2.67Å; R192-E196 WeakPolarHBondContact O-CB 3.26Å; R192-E196 VanDerWaalsContact O-CG 3.3Å; R192-E196 WeakPolarHBondContact O-CG 3.47Å; R192-E196 PolarHBondContact O-N 3.49Å; R192-V207 HydrophobicContact CG-CB 3.95Å; R192-V207 HydrophobicContact CG-CG1 3.9Å; R192-V207 HydrophobicContact CG-CG2 4.03Å; R192-L210 HydrophobicContact CB-CD2 4.09Å; R192-L210 HydrophobicContact CG-CD2 4.29Å; R192-E319 IonicContact CZ-OE1 3.51Å; R192-E319 IonicContact CZ-OE2 3.82Å; R192-E319 VanDerWaalsContact CZ-OE2 3.23Å; R192-E319 IonicContact NH1-OE1 3.48Å; R192-E319 PolarHBondContact NH1-OE1 2.88Å; R192-E319 IonicContact NH1-OE2 2.68Å; R192-E319 PolarHBondContact NH1-OE2 3.45Å; R192-E319 IonicContact NH2-OE1 3.33Å; R192-E319 IonicContact NH2-OE2 2.7Å; R192-E319 PolarHBondContact NH2-OE2 2.78Å
193	R	94	Very high	93	Very high	16 Å²	16	42.3 Å²	42.3	6%	0.06	20%	0.203	C	C	.	.	H	α-helix	trans	-62.4	-36.6	178.5	-64.9	-57.6	-60.3	164	-16.1	111.5	F189 I190 A191 E196 K197 A300 P302	F189-R193 HydrophobicContact CD2-CG 4.19Å; F189-R193 HydrophobicContact CE1-CG 4.45Å; F189-R193 HydrophobicContact CE2-CG 3.82Å; F189-R193 HydrophobicContact CZ-CG 3.96Å; F189-R193 WeakPolarHBondContact O-CG 3.22Å; F189-R193 PolarHBondContact O-N 3.48Å; I190-R193 PolarHBondContact O-N 2.69Å; A191-R193 PolarHBondContact O-N 3.47Å; R193-E196 WeakPolarHBondContact CD-OE2 3.34Å; R193-E196 IonicContact CZ-OE2 3.99Å; R193-E196 IonicContact NE-OE2 3.66Å; R193-E196 IonicContact NH1-OE2 3.94Å; R193-E196 PolarHBondContact NH1-OE2 2.73Å; R193-K197 WeakPolarHBondContact O-CB 3.1Å; R193-K197 VanDerWaalsContact O-CG 3.26Å; R193-K197 WeakPolarHBondContact O-CG 3.4Å; R193-K197 PolarHBondContact O-N 2.72Å; R193-K197 VanDerWaalsContact O-N 3.08Å; R193-A300 HydrophobicContact CB-CB 3.7Å; R193-A300 HydrophobicContact CG-CB 3.84Å; R193-A300 PolarHBondContact NE-O 3.42Å; R193-P302 PolarHBondContact NH2-O 2.7Å
194	R	94.2	Very high	92.8	Very high	24 Å²	24	44.8 Å²	44.8	9%	0.091	22%	0.216	C	C	.	.	H	α-helix	trans	-67.7	-41.8	172.8	-70	-175.9	-175.5	133.9	6.4	112.5	E136 E140 I190 A191 R192 K197 R198 D296 D299	E136-R194 HydrophobicContact CG-CB 4.17Å; E136-R194 WeakPolarHBondContact OE2-CD 3.43Å; E140-R194 IonicContact OE1-CZ 3.64Å; E140-R194 IonicContact OE1-NH1 3.45Å; E140-R194 PolarHBondContact OE1-NH1 3.04Å; I190-R194 VanDerWaalsContact CG2-NH1 3.35Å; I190-R194 WeakPolarHBondContact O-CG 3.22Å; I190-R194 PolarHBondContact O-N 2.68Å; A191-R194 PolarHBondContact O-N 3.19Å; R192-R194 VanDerWaalsContact C-N 3.29Å; R192-R194 PolarHBondContact O-N 2.74Å; R194-K197 PolarHBondContact O-N 3.46Å; R194-R198 WeakPolarHBondContact O-CB 3.38Å; R194-R198 WeakPolarHBondContact O-CG 3.3Å; R194-R198 PolarHBondContact O-N 3.25Å; R194-D296 IonicContact CZ-OD2 2.67Å; R194-D296 IonicContact NH2-OD2 3.6Å; R194-D296 PolarHBondContact NH2-OD2 3.24Å; R194-D299 IonicContact CZ-OD2 3.33Å; R194-D299 IonicContact NE-OD2 3.62Å; R194-D299 PolarHBondContact NE-OD2 3.16Å; R194-D299 IonicContact NH2-OD2 3.93Å; R194-D299 PolarHBondContact NH2-OD2 3.17Å
195	I	95.5	Very high	92.8	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-51	174.9	-69.7	162.6	0	0	0	110.5	V133 E136 L137 A191 R192 K197 R198 L199 F205	V133-I195 HydrophobicContact CB-CD1 4.3Å; V133-I195 HydrophobicContact CG1-CD1 4.25Å; V133-I195 HydrophobicContact CG2-CD1 4.22Å; V133-I195 HydrophobicContact CG2-CG2 3.69Å; E136-I195 HydrophobicContact CB-CD1 4.14Å; E136-I195 HydrophobicContact CB-CG1 3.67Å; E136-I195 HydrophobicContact CG-CG1 3.88Å; L137-I195 HydrophobicContact CG-CD1 4.45Å; A191-I195 WeakPolarHBondContact O-CB 3.31Å; A191-I195 WeakPolarHBondContact O-CD1 3.34Å; A191-I195 WeakPolarHBondContact O-CG1 3.39Å; A191-I195 PolarHBondContact O-N 3.25Å; R192-I195 WeakPolarHBondContact O-CB 3.34Å; R192-I195 PolarHBondContact O-N 2.84Å; I195-K197 VanDerWaalsContact C-N 3.33Å; I195-K197 PolarHBondContact O-N 3.05Å; I195-R198 PolarHBondContact O-N 3.03Å; I195-R198 VanDerWaalsContact O-N 3.1Å; I195-L199 HydrophobicContact CG2-CD1 3.89Å; I195-L199 WeakPolarHBondContact O-CB 3.33Å; I195-L199 PolarHBondContact O-N 2.79Å; I195-F205 HydrophobicContact CG2-CE1 3.72Å; I195-F205 HydrophobicContact CG2-CZ 3.54Å
196	E	92.6	Very high	92.9	Very high	34 Å²	34	46.3 Å²	46.3	16%	0.159	22%	0.222	C	C	.	.	H	α-helix	trans	-57	-45	178.5	-72	169.5	148.2	0	0	111	R192 R193 R198 L199 E200 R264	R192-E196 HydrophobicContact CG-CG 4.31Å; R192-E196 IonicContact CZ-OE2 2.74Å; R192-E196 IonicContact NE-OE1 3.55Å; R192-E196 PolarHBondContact NE-OE1 2.9Å; R192-E196 VanDerWaalsContact NE-OE1 3.14Å; R192-E196 IonicContact NE-OE2 2.75Å; R192-E196 PolarHBondContact NE-OE2 3.49Å; R192-E196 VanDerWaalsContact NE-OE2 3.09Å; R192-E196 IonicContact NH2-OE2 2.67Å; R192-E196 WeakPolarHBondContact O-CB 3.26Å; R192-E196 VanDerWaalsContact O-CG 3.3Å; R192-E196 WeakPolarHBondContact O-CG 3.47Å; R192-E196 PolarHBondContact O-N 3.49Å; R193-E196 WeakPolarHBondContact CD-OE2 3.34Å; R193-E196 IonicContact CZ-OE2 3.99Å; R193-E196 IonicContact NE-OE2 3.66Å; R193-E196 IonicContact NH1-OE2 3.94Å; R193-E196 PolarHBondContact NH1-OE2 2.73Å; E196-R198 PolarHBondContact O-N 2.86Å; E196-L199 CarbonylContact O-C 3.53Å; E196-L199 PolarHBondContact O-N 3.48Å; E196-E200 PolarHBondContact O-N 3.48Å; E196-R264 IonicContact OE1-CZ 3.98Å; E196-R264 IonicContact OE1-NH1 2.77Å; E196-R264 IonicContact OE1-NH2 3.81Å; E196-R264 PolarHBondContact OE1-NH2 2.91Å
197	K	91.3	Very high	92.9	Very high	97 Å²	97	45 Å²	45	42%	0.422	22%	0.217	S	C	.	.	H	α-helix	trans	-66	-33.6	175.5	-71.8	170.5	64.8	168.7	0	113.7	R193 R194 I195 L199 D299 A301	R193-K197 WeakPolarHBondContact O-CB 3.1Å; R193-K197 VanDerWaalsContact O-CG 3.26Å; R193-K197 WeakPolarHBondContact O-CG 3.4Å; R193-K197 PolarHBondContact O-N 2.72Å; R193-K197 VanDerWaalsContact O-N 3.08Å; R194-K197 PolarHBondContact O-N 3.46Å; I195-K197 VanDerWaalsContact C-N 3.33Å; I195-K197 PolarHBondContact O-N 3.05Å; K197-L199 VanDerWaalsContact C-N 3.29Å; K197-D299 PolarHBondContact NZ-O 3.35Å; K197-A301 WeakPolarHBondContact CE-O 3.35Å; K197-A301 PolarHBondContact NZ-O 3.21Å
198	R	94.6	Very high	93	Very high	109 Å²	109	43 Å²	43	41%	0.411	21%	0.21	S	C	.	.	H	α-helix	trans	-75.6	-15.7	175.3	-74.5	-177.2	67.6	-174.4	-2.8	113.4	I132 E135 E136 R194 I195 E196	I132-R198 HydrophobicContact CG2-CB 3.73Å; E135-R198 IonicContact OE2-CZ 3.1Å; E135-R198 VanDerWaalsContact OE2-CZ 3.24Å; E135-R198 IonicContact OE2-NH1 2.77Å; E135-R198 PolarHBondContact OE2-NH1 2.96Å; E135-R198 IonicContact OE2-NH2 3.92Å; E135-R198 PolarHBondContact OE2-NH2 2.83Å; E136-R198 WeakPolarHBondContact OE1-CD 3.43Å; E136-R198 IonicContact OE1-CZ 2.82Å; E136-R198 IonicContact OE1-NE 3.66Å; E136-R198 IonicContact OE1-NH1 2.7Å; E136-R198 PolarHBondContact OE1-NH1 3.43Å; R194-R198 WeakPolarHBondContact O-CB 3.38Å; R194-R198 WeakPolarHBondContact O-CG 3.3Å; R194-R198 PolarHBondContact O-N 3.25Å; I195-R198 PolarHBondContact O-N 3.03Å; I195-R198 VanDerWaalsContact O-N 3.1Å; E196-R198 PolarHBondContact O-N 2.86Å
199	L	93.8	Very high	93	Very high	17 Å²	17	43 Å²	43	9%	0.089	21%	0.21	C	C	.	.	S	Bend	trans	-118.9	12.2	-175.7	-72.7	168.9	0	0	0	113.8	A129 I132 I195 E196 K197 A201 D202 F205	A129-L199 HydrophobicContact CB-CD1 3.95Å; A129-L199 HydrophobicContact CB-CD2 4.13Å; I132-L199 HydrophobicContact CB-CD1 4.36Å; I132-L199 HydrophobicContact CD1-CD2 3.62Å; I132-L199 HydrophobicContact CD1-CG 4.11Å; I132-L199 HydrophobicContact CG2-CD1 4.09Å; I132-L199 HydrophobicContact CG2-CG 4.15Å; I195-L199 HydrophobicContact CG2-CD1 3.89Å; I195-L199 WeakPolarHBondContact O-CB 3.33Å; I195-L199 PolarHBondContact O-N 2.79Å; E196-L199 CarbonylContact O-C 3.53Å; E196-L199 PolarHBondContact O-N 3.48Å; K197-L199 VanDerWaalsContact C-N 3.29Å; L199-A201 PolarHBondContact O-N 2.87Å; L199-D202 PolarHBondContact O-N 3.36Å; L199-F205 HydrophobicContact CB-CD1 3.73Å; L199-F205 HydrophobicContact CB-CE1 4.19Å; L199-F205 HydrophobicContact CB-CG 4.16Å; L199-F205 HydrophobicContact CD1-CD1 3.67Å; L199-F205 HydrophobicContact CD1-CD2 3.8Å; L199-F205 HydrophobicContact CD1-CE1 3.55Å; L199-F205 HydrophobicContact CD1-CE2 3.66Å; L199-F205 HydrophobicContact CD1-CG 3.8Å; L199-F205 HydrophobicContact CD1-CZ 3.54Å; L199-F205 HydrophobicContact CG-CD1 4.33Å
200	E	87	Confident	93.1	Very high	161 Å²	161	43.4 Å²	43.4	75%	0.752	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-26.4	-178.2	-175.9	171.9	-152.8	0	0	114.3	E196	E196-E200 PolarHBondContact O-N 3.48Å
201	A	88.9	Confident	93.1	Very high	100 Å²	100	43.7 Å²	43.7	83%	0.826	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-24.9	175.3	0	0	0	0	0	114.2	L199 K203	L199-A201 PolarHBondContact O-N 2.87Å; A201-K203 PolarHBondContact O-N 3.47Å
202	D	91.3	Very high	93.1	Very high	21 Å²	21	44.1 Å²	44.1	11%	0.112	22%	0.217	C	C	.	.			trans	-89.1	92	176.9	-176.3	1.2	0	0	0	109.8	N120 L199 D204 F205	N120-D202 PolarHBondContact ND2-OD1 3.21Å; L199-D202 PolarHBondContact O-N 3.36Å; D202-D204 PolarHBondContact O-N 2.86Å; D202-D204 VanDerWaalsContact O-N 3.13Å; D202-D204 PolarHBondContact OD1-N 3.39Å; D202-F205 HydrophobicContact CB-CB 4.06Å; D202-F205 WeakPolarHBondContact O-CB 3.48Å; D202-F205 PolarHBondContact O-N 3.18Å; D202-F205 VanDerWaalsContact O-N 3.07Å
203	K	82.7	Confident	93.1	Very high	170 Å²	170	45.6 Å²	45.6	74%	0.739	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-10.9	-173.7	-58.6	-130	179	-172.9	0	114.6	A201	A201-K203 PolarHBondContact O-N 3.47Å
204	D	87.7	Confident	93.2	Very high	84 Å²	84	45 Å²	45	45%	0.449	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-15.6	175.1	-62.8	-36.8	0	0	0	112.4	N120 D202 Y206	N120-D204 HydrophobicContact CB-CB 4.41Å; N120-D204 PolarHBondContact ND2-OD2 3.37Å; D202-D204 PolarHBondContact O-N 2.86Å; D202-D204 VanDerWaalsContact O-N 3.13Å; D202-D204 PolarHBondContact OD1-N 3.39Å; D204-Y206 PolarHBondContact O-N 2.94Å
205	F	95.1	Very high	93.3	Very high	20 Å²	20	43.9 Å²	43.9	9%	0.088	22%	0.219	C	C	.	.			trans	-72.8	126.4	176.9	178.1	-94.9	0	0	0	111.3	L117 F118 L119 A129 V133 I195 L199 D202 V207	L117-F205 HydrophobicContact CD2-CE2 3.86Å; L117-F205 HydrophobicContact CD2-CZ 3.96Å; F118-F205 WeakPolarHBondContact O-CA 3.33Å; L119-F205 HydrophobicContact CD2-CD2 3.73Å; L119-F205 HydrophobicContact CD2-CE2 3.67Å; A129-F205 HydrophobicContact CB-CD2 3.84Å; A129-F205 HydrophobicContact CB-CE2 4.12Å; V133-F205 HydrophobicContact CG2-CE2 4.1Å; V133-F205 HydrophobicContact CG2-CZ 3.97Å; I195-F205 HydrophobicContact CG2-CE1 3.72Å; I195-F205 HydrophobicContact CG2-CZ 3.54Å; L199-F205 HydrophobicContact CB-CD1 3.73Å; L199-F205 HydrophobicContact CB-CE1 4.19Å; L199-F205 HydrophobicContact CB-CG 4.16Å; L199-F205 HydrophobicContact CD1-CD1 3.67Å; L199-F205 HydrophobicContact CD1-CD2 3.8Å; L199-F205 HydrophobicContact CD1-CE1 3.55Å; L199-F205 HydrophobicContact CD1-CE2 3.66Å; L199-F205 HydrophobicContact CD1-CG 3.8Å; L199-F205 HydrophobicContact CD1-CZ 3.54Å; L199-F205 HydrophobicContact CG-CD1 4.33Å; D202-F205 HydrophobicContact CB-CB 4.06Å; D202-F205 WeakPolarHBondContact O-CB 3.48Å; D202-F205 PolarHBondContact O-N 3.18Å; D202-F205 VanDerWaalsContact O-N 3.07Å; F205-V207 HydrophobicContact CE1-CG2 3.82Å; F205-V207 HydrophobicContact CZ-CG2 3.61Å
206	Y	94.7	Very high	93.4	Very high	30 Å²	30	43.9 Å²	43.9	12%	0.118	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	133.3	176.5	177.1	-102.3	0	0	0	112.8	F118 D204 C208 K218 P258	F118-Y206 AromaticContact CD2-CD1 3.93Å; F118-Y206 HydrophobicContact CD2-CD1 3.93Å; F118-Y206 HydrophobicContact CE2-CD1 4.37Å; F118-Y206 PolarHBondContact N-O 2.68Å; F118-Y206 PolarHBondContact O-N 3.48Å; D204-Y206 PolarHBondContact O-N 2.94Å; Y206-C208 VanDerWaalsContact CD1-SG 3.59Å; Y206-C208 HydrophobicContact CE1-CB 4.21Å; Y206-C208 VanDerWaalsContact CE1-SG 3.58Å; Y206-K218 PolarHBondContact OH-NZ 3.45Å; Y206-P258 HydrophobicContact CD1-CB 3.93Å; Y206-P258 HydrophobicContact CD1-CG 4.27Å; Y206-P258 HydrophobicContact CD2-CB 3.78Å; Y206-P258 HydrophobicContact CD2-CG 4.34Å; Y206-P258 HydrophobicContact CE1-CB 4.18Å; Y206-P258 HydrophobicContact CE2-CB 4.03Å; Y206-P258 HydrophobicContact CG-CB 3.71Å; Y206-P258 HydrophobicContact CG-CG 3.92Å; Y206-P258 PolarHBondContact OH-O 3.03Å
207	V	95.9	Very high	93.6	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	106.8	174.3	-176.1	0	0	0	0	109.5	L117 R192 F205 L210 R264	L117-V207 HydrophobicContact CD2-CG2 4.02Å; L117-V207 HydrophobicContact CG-CG2 4.32Å; R192-V207 HydrophobicContact CG-CB 3.95Å; R192-V207 HydrophobicContact CG-CG1 3.9Å; R192-V207 HydrophobicContact CG-CG2 4.03Å; F205-V207 HydrophobicContact CE1-CG2 3.82Å; F205-V207 HydrophobicContact CZ-CG2 3.61Å; V207-L210 HydrophobicContact CG1-CB 3.74Å; V207-R264 PolarHBondContact O-NH2 3.4Å; V207-R264 VanDerWaalsContact O-NH2 3.16Å
208	C	95.9	Very high	93.8	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	-55.4	177.6	-66.5	0	0	0	0	110.8	M116 F118 Y206 I216	M116-C208 HydrophobicContact CB-CB 4.25Å; M116-C208 HydrophobicContact CG-CB 4.12Å; M116-C208 WeakPolarHBondContact O-CB 3.38Å; M116-C208 PolarHBondContact O-N 2.77Å; F118-C208 WeakPolarHBondContact CE2-SG 3.46Å; F118-C208 WeakPolarHBondContact CZ-SG 3.15Å; Y206-C208 VanDerWaalsContact CD1-SG 3.59Å; Y206-C208 HydrophobicContact CE1-CB 4.21Å; Y206-C208 VanDerWaalsContact CE1-SG 3.58Å; C208-I216 WeakPolarHBondContact O-CD1 3.15Å
209	S	96.6	Very high	93.7	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.021	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	149.3	173.6	45.3	0	0	0	0	109.3	G115 M116 I216	G115-S209 CarbonylContact C-O 3.58Å; G115-S209 VanDerWaalsContact CA-O 3.26Å; G115-S209 WeakPolarHBondContact CA-O 3.43Å; M116-S209 WeakPolarHBondContact CB-OG 3.46Å; M116-S209 PolarHBondContact N-O 2.95Å; M116-S209 PolarHBondContact O-N 2.74Å; S209-I216 PolarHBondContact OG-N 2.9Å
210	L	96.7	Very high	93.6	Very high	16 Å²	16	31.8 Å²	31.8	8%	0.084	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	81.2	171.7	177.8	59.1	0	0	0	107.5	L137 I171 L188 R192 V207	L137-L210 HydrophobicContact CD2-CD2 4.3Å; I171-L210 HydrophobicContact CG2-CD1 4.44Å; L188-L210 HydrophobicContact CD2-CD1 4.14Å; L188-L210 HydrophobicContact CD2-CG 4.03Å; R192-L210 HydrophobicContact CB-CD2 4.09Å; R192-L210 HydrophobicContact CG-CD2 4.29Å; V207-L210 HydrophobicContact CG1-CB 3.74Å
211	S	96.5	Very high	93.8	Very high	5 Å²	5	24.1 Å²	24.1	4%	0.035	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	153.6	-162.5	175.4	0	0	0	0	111.9	A113 V114 E185 L213 V214	A113-S211 VanDerWaalsContact CA-O 3.3Å; A113-S211 WeakPolarHBondContact CA-O 3.46Å; A113-S211 VanDerWaalsContact CB-C 3.46Å; A113-S211 VanDerWaalsContact CB-O 3.27Å; A113-S211 WeakPolarHBondContact CB-O 3.47Å; V114-S211 PolarHBondContact N-O 3.49Å; E185-S211 VanDerWaalsContact CD-OG 3.31Å; E185-S211 WeakPolarHBondContact OE1-CA 3.34Å; E185-S211 PolarHBondContact OE1-OG 2.89Å; E185-S211 VanDerWaalsContact OE2-CB 3.24Å; E185-S211 WeakPolarHBondContact OE2-CB 3.34Å; E185-S211 PolarHBondContact OE2-OG 3.43Å; S211-L213 PolarHBondContact OG-N 3.48Å; S211-V214 WeakPolarHBondContact CB-O 3.23Å; S211-V214 PolarHBondContact OG-N 3.07Å; S211-V214 VanDerWaalsContact OG-N 3.16Å
212	N	95.6	Very high	93.7	Very high	9 Å²	9	20.1 Å²	20.1	5%	0.048	10%	0.097	C	C	.	.	S	Bend	trans	-95.6	-0.7	165.3	70.4	13.7	0	0	0	113.8	K92 N111 Y112 A113 P181 M184 E185	K92-N212 WeakPolarHBondContact CD-O 3.32Å; K92-N212 WeakPolarHBondContact CE-O 3.47Å; N111-N212 PolarHBondContact OD1-ND2 2.84Å; Y112-N212 WeakPolarHBondContact O-CB 3.48Å; A113-N212 HydrophobicContact CB-CB 4.03Å; P181-N212 VanDerWaalsContact CA-ND2 3.35Å; P181-N212 WeakPolarHBondContact CA-ND2 3.43Å; P181-N212 PolarHBondContact O-ND2 3.31Å; M184-N212 WeakPolarHBondContact CB-ND2 3.36Å; M184-N212 HydrophobicContact SD-CB 3.8Å; M184-N212 PolarHBondContact SD-ND2 3.41Å; E185-N212 WeakPolarHBondContact CG-OD1 3.27Å; E185-N212 VanDerWaalsContact OE1-CG 3.31Å; E185-N212 PolarHBondContact OE1-N 3.22Å; E185-N212 PolarHBondContact OE1-OD1 3.43Å
213	L	94.8	Very high	93.6	Very high	38 Å²	38	19.1 Å²	19.1	20%	0.199	9%	0.092	C	C	.	.	S	Bend	trans	-108.2	-40.9	-177.6	-53.9	-177.1	0	0	0	112.5	K92 P181 E185 S211 D374	K92-L213 WeakPolarHBondContact CB-O 3.32Å; K92-L213 PolarHBondContact N-O 3.36Å; P181-L213 HydrophobicContact CB-CD2 3.88Å; E185-L213 HydrophobicContact CG-CD1 3.77Å; E185-L213 HydrophobicContact CG-CG 3.91Å; S211-L213 PolarHBondContact OG-N 3.48Å; L213-D374 WeakPolarHBondContact CB-O 3.5Å; L213-D374 WeakPolarHBondContact CD1-O 3.25Å
214	V	95.7	Very high	93.8	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.018	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	154.4	-170.6	-63.2	0	0	0	0	113.3	L89 L90 S211	L89-V214 HydrophobicContact CD2-CB 4.02Å; L89-V214 HydrophobicContact CD2-CG1 3.87Å; L89-V214 HydrophobicContact CG-CB 4.27Å; L90-V214 CarbonylContact O-C 3.52Å; L90-V214 VanDerWaalsContact O-CA 3.23Å; L90-V214 WeakPolarHBondContact O-CA 3.46Å; S211-V214 WeakPolarHBondContact CB-O 3.23Å; S211-V214 PolarHBondContact OG-N 3.07Å; S211-V214 VanDerWaalsContact OG-N 3.16Å
215	N	96.9	Very high	94	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.011	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	143.1	175.6	-72.6	104.2	0	0	0	111.6	L90 K92 F97 V114	L90-N215 PolarHBondContact N-O 3.29Å; L90-N215 PolarHBondContact O-N 3.03Å; K92-N215 WeakPolarHBondContact CG-OD1 3.3Å; F97-N215 HydrophobicContact CE2-CB 4.4Å; F97-N215 WeakPolarHBondContact CE2-OD1 3.5Å; V114-N215 PolarHBondContact O-ND2 2.83Å; V114-N215 VanDerWaalsContact O-ND2 3.12Å
216	I	97.4	Very high	93.9	Very high	1 Å²	1	10 Å²	10	1%	0.005	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	133	-172.3	-61.9	165.5	0	0	0	110.7	L88 L89 M116 C208 S209 K218 F263	L88-I216 WeakPolarHBondContact O-CA 3.5Å; L89-I216 HydrophobicContact CB-CG1 3.99Å; L89-I216 HydrophobicContact CD1-CD1 4.1Å; L89-I216 HydrophobicContact CD1-CG1 4Å; L89-I216 HydrophobicContact CG-CG1 3.93Å; M116-I216 WeakPolarHBondContact CG-O 3.49Å; C208-I216 WeakPolarHBondContact O-CD1 3.15Å; S209-I216 PolarHBondContact OG-N 2.9Å; I216-K218 HydrophobicContact CG2-CB 4.21Å; I216-K218 HydrophobicContact CG2-CD 3.93Å; I216-K218 HydrophobicContact CG2-CG 4.09Å; I216-F263 WeakPolarHBondContact CD1-O 3.29Å
217	Y	97.3	Very high	93.8	Very high	1 Å²	1	9.7 Å²	9.7	0%	0.004	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	111.2	168.9	-71.7	-93.9	0	0	0	108.4	G87 L88 L90 M116 V150 Q170 Y230 D232 L233 L238	G87-Y217 CarbonylContact C-O 3.53Å; G87-Y217 WeakPolarHBondContact CA-O 3.05Å; L88-Y217 PolarHBondContact N-O 2.67Å; L88-Y217 PolarHBondContact O-N 2.95Å; L90-Y217 HydrophobicContact CD1-CD2 4.03Å; L90-Y217 HydrophobicContact CD1-CE2 4.2Å; M116-Y217 HydrophobicContact CE-CD1 3.9Å; M116-Y217 HydrophobicContact CE-CE1 4.14Å; V150-Y217 HydrophobicContact CG1-CE1 4.3Å; Q170-Y217 PolarHBondContact NE2-OH 3.36Å; Q170-Y217 VanDerWaalsContact NE2-OH 3.1Å; Y217-Y230 AromaticContact CD1-CD1 3.81Å; Y217-Y230 HydrophobicContact CD1-CD1 3.81Å; Y217-Y230 HydrophobicContact CD1-CD2 4.12Å; Y217-Y230 HydrophobicContact CD1-CE1 4.13Å; Y217-Y230 HydrophobicContact CD1-CE2 4.42Å; Y217-Y230 AromaticContact CD1-CG 3.8Å; Y217-Y230 HydrophobicContact CD1-CG 3.8Å; Y217-Y230 HydrophobicContact CE1-CD1 4.37Å; Y217-D232 HydrophobicContact CE1-CB 4.03Å; Y217-D232 PolarHBondContact OH-OD2 2.73Å; Y217-L233 HydrophobicContact CD2-CD2 4Å; Y217-L233 HydrophobicContact CG-CD1 4.45Å; Y217-L233 HydrophobicContact CG-CD2 4.08Å; Y217-L233 HydrophobicContact CG-CG 4.29Å; Y217-L238 HydrophobicContact CE2-CD1 4.44Å
218	K	95.8	Very high	93.7	Very high	1 Å²	1	15.6 Å²	15.6	0%	0.004	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	153.2	-177.6	68.6	-175.8	-166.3	173.5	0	112.4	C86 F118 Y206 I216 Y230 P258 A260 P262	C86-K218 CarbonylContact O-C 3.52Å; C86-K218 WeakPolarHBondContact O-CA 3.31Å; F118-K218 HydrophobicContact CZ-CG 4.23Å; Y206-K218 PolarHBondContact OH-NZ 3.45Å; I216-K218 HydrophobicContact CG2-CB 4.21Å; I216-K218 HydrophobicContact CG2-CD 3.93Å; I216-K218 HydrophobicContact CG2-CG 4.09Å; K218-Y230 WeakPolarHBondContact O-CE2 3.36Å; K218-Y230 PolarHBondContact O-OH 2.89Å; K218-P258 PolarHBondContact NZ-O 3.32Å; K218-A260 HydrophobicContact CB-CB 4.15Å; K218-A260 HydrophobicContact CD-CB 4.16Å; K218-A260 VanDerWaalsContact CD-O 3.23Å; K218-A260 WeakPolarHBondContact CD-O 3.32Å; K218-A260 VanDerWaalsContact CE-O 3.3Å; K218-A260 WeakPolarHBondContact CE-O 3.49Å; K218-A260 HydrophobicContact CG-CB 4.25Å; K218-A260 PolarHBondContact NZ-O 3.44Å; K218-P262 PolarHBondContact NZ-O 2.56Å
219	G	92.2	Very high	93.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	177.4	-178.3	0	0	0	0	0	114.8	G85 C86 C221	G85-G219 WeakPolarHBondContact CA-O 3.46Å; C86-G219 PolarHBondContact N-O 3.24Å; C86-G219 PolarHBondContact O-N 2.96Å; G219-C221 PolarHBondContact O-N 2.67Å
220	L	91.8	Very high	93.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	-98.4	70.6	-176.3	-56.8	-174.9	0	0	0	111	T82 A161 P255 W257	T82-L220 HydrophobicContact CG2-CB 4.38Å; A161-L220 HydrophobicContact CB-CB 3.79Å; A161-L220 WeakPolarHBondContact CB-O 3.47Å; L220-P255 HydrophobicContact CD1-CB 3.73Å; L220-P255 HydrophobicContact CD1-CG 3.81Å; L220-P255 WeakPolarHBondContact CD1-O 3.48Å; L220-P255 HydrophobicContact CD2-CB 3.93Å; L220-P255 HydrophobicContact CG-CB 4.4Å; L220-W257 HydrophobicContact CB-CZ2 4.16Å; L220-W257 VanDerWaalsContact CD1-CD1 3.44Å; L220-W257 HydrophobicContact CD1-CD2 4.29Å; L220-W257 HydrophobicContact CD1-CG 3.93Å; L220-W257 HydrophobicContact CG-CD2 3.95Å; L220-W257 HydrophobicContact CG-CG 3.97Å; L220-W257 HydrophobicContact CG-CZ2 4.43Å
221	C	89.9	Confident	93.7	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.007	9%	0.092	C	C	.	.	S	Bend	trans	-143.6	169.5	-179.8	65.8	0	0	0	0	110.6	C86 L157 G219 D225	C86-C221 PolarHBondContact SG-O 3.44Å; L157-C221 HydrophobicContact CD2-CB 3.72Å; G219-C221 PolarHBondContact O-N 2.67Å; C221-D225 HydrophobicContact CB-CB 4.29Å
222	M	87.6	Confident	93.6	Very high	15 Å²	15	18.6 Å²	18.6	7%	0.074	9%	0.093	C	C	.	.			trans	-65.7	146.8	171.9	-56.5	-55.4	-66.7	0	0	110.6	Q71 I76 K81 T224 D225 L226	Q71-M222 HydrophobicContact CG-CE 3.73Å; I76-M222 HydrophobicContact CD1-CE 3.83Å; I76-M222 HydrophobicContact CG1-CE 3.69Å; I76-M222 HydrophobicContact CG1-SD 4.12Å; K81-M222 WeakPolarHBondContact O-CG 3.47Å; M222-T224 VanDerWaalsContact C-N 3.26Å; M222-T224 PolarHBondContact O-N 3.13Å; M222-T224 VanDerWaalsContact O-N 3.17Å; M222-D225 HydrophobicContact CB-CB 4.18Å; M222-D225 WeakPolarHBondContact CB-OD2 3.49Å; M222-D225 WeakPolarHBondContact O-CA 3.33Å; M222-D225 WeakPolarHBondContact O-CB 3.22Å; M222-D225 PolarHBondContact O-N 2.84Å; M222-L226 PolarHBondContact O-N 3.45Å
223	P	88.1	Confident	93.6	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-44.7	-45.1	172	-39.5	42.2	0	0	0	116	L67 A68 D225 L226	L67-P223 HydrophobicContact CB-CB 4.5Å; L67-P223 HydrophobicContact CG-CB 3.95Å; L67-P223 HydrophobicContact CG-CG 4.21Å; L67-P223 WeakPolarHBondContact O-CB 3.44Å; A68-P223 HydrophobicContact CB-CB 4.2Å; P223-D225 PolarHBondContact O-N 2.95Å; P223-L226 WeakPolarHBondContact O-CB 3.37Å; P223-L226 PolarHBondContact O-N 3.3Å
224	T	88.2	Confident	93.5	Very high	59 Å²	59	19.2 Å²	19.2	36%	0.362	10%	0.104	S	C	.	.	G	3₁₀ helix	trans	-70.4	-17.5	179.9	54.2	0	0	0	0	113.1	A68 M222 R228	A68-T224 HydrophobicContact CB-CG2 3.51Å; M222-T224 VanDerWaalsContact C-N 3.26Å; M222-T224 PolarHBondContact O-N 3.13Å; M222-T224 VanDerWaalsContact O-N 3.17Å; T224-R228 VanDerWaalsContact C-NH2 3.27Å; T224-R228 PolarHBondContact O-NE 2.86Å; T224-R228 VanDerWaalsContact O-NE 3.08Å; T224-R228 PolarHBondContact O-NH2 2.65Å
225	D	91.1	Very high	93.4	Very high	22 Å²	22	20.9 Å²	20.9	12%	0.118	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-95	-17.7	-179.7	-74.8	-38.2	0	0	0	112.1	V156 C221 M222 P223 R228 F229	V156-D225 HydrophobicContact CG1-CB 3.51Å; V156-D225 VanDerWaalsContact CG1-OD1 3.26Å; V156-D225 WeakPolarHBondContact CG1-OD1 3.44Å; C221-D225 HydrophobicContact CB-CB 4.29Å; M222-D225 HydrophobicContact CB-CB 4.18Å; M222-D225 WeakPolarHBondContact CB-OD2 3.49Å; M222-D225 WeakPolarHBondContact O-CA 3.33Å; M222-D225 WeakPolarHBondContact O-CB 3.22Å; M222-D225 PolarHBondContact O-N 2.84Å; P223-D225 PolarHBondContact O-N 2.95Å; D225-R228 CarbonylContact O-C 3.39Å; D225-R228 WeakPolarHBondContact O-CA 3.34Å; D225-R228 WeakPolarHBondContact O-CB 3.43Å; D225-R228 PolarHBondContact O-N 3.01Å; D225-R228 IonicContact OD1-CZ 3.64Å; D225-R228 IonicContact OD1-NE 3.8Å; D225-R228 IonicContact OD1-NH1 3.09Å; D225-R228 PolarHBondContact OD1-NH1 3Å; D225-R228 IonicContact OD1-NH2 2.76Å; D225-R228 PolarHBondContact OD1-NH2 3.34Å; D225-F229 PolarHBondContact O-N 2.85Å
226	L	92.4	Very high	93.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-51.7	-47.4	-178.6	-170.5	65.1	0	0	0	115	L67 L88 M222 P223 R228 F229 Y230 L233	L67-L226 HydrophobicContact CD2-CD2 3.88Å; L88-L226 HydrophobicContact CD1-CD2 4.4Å; L88-L226 HydrophobicContact CG-CD2 3.97Å; M222-L226 PolarHBondContact O-N 3.45Å; P223-L226 WeakPolarHBondContact O-CB 3.37Å; P223-L226 PolarHBondContact O-N 3.3Å; L226-R228 VanDerWaalsContact C-N 3.29Å; L226-R228 PolarHBondContact O-N 2.81Å; L226-F229 PolarHBondContact O-N 3.47Å; L226-Y230 HydrophobicContact CD1-CD2 3.88Å; L226-Y230 HydrophobicContact CD1-CE2 4.23Å; L226-Y230 PolarHBondContact O-N 2.71Å; L226-L233 HydrophobicContact CD2-CD1 4.24Å; L226-L233 HydrophobicContact CG-CD1 3.91Å
227	P	93.2	Very high	93.2	Very high	24 Å²	24	30.9 Å²	30.9	16%	0.156	16%	0.16	C	C	.	.	H	α-helix	trans	-76.1	-15	174.4	33.9	-40.2	0	0	0	113.9	I64 L233	I64-P227 HydrophobicContact CD1-CB 4.23Å; I64-P227 HydrophobicContact CG2-CG 3.86Å; P227-L233 HydrophobicContact CB-CB 4.23Å
228	R	93.9	Very high	93.1	Very high	126 Å²	126	30.9 Å²	30.9	48%	0.475	16%	0.159	S	C	.	.	H	α-helix	trans	-84.3	-26.9	174	-71.1	-177.6	-86.5	147.3	-0.4	111.3	N153 V156 T224 D225 L226	N153-R228 VanDerWaalsContact CB-O 3.32Å; N153-R228 WeakPolarHBondContact CB-O 3.2Å; N153-R228 PolarHBondContact ND2-O 2.64Å; V156-R228 HydrophobicContact CG1-CB 4.36Å; V156-R228 HydrophobicContact CG2-CB 4.23Å; T224-R228 VanDerWaalsContact C-NH2 3.27Å; T224-R228 PolarHBondContact O-NE 2.86Å; T224-R228 VanDerWaalsContact O-NE 3.08Å; T224-R228 PolarHBondContact O-NH2 2.65Å; D225-R228 CarbonylContact O-C 3.39Å; D225-R228 WeakPolarHBondContact O-CA 3.34Å; D225-R228 WeakPolarHBondContact O-CB 3.43Å; D225-R228 PolarHBondContact O-N 3.01Å; D225-R228 IonicContact OD1-CZ 3.64Å; D225-R228 IonicContact OD1-NE 3.8Å; D225-R228 IonicContact OD1-NH1 3.09Å; D225-R228 PolarHBondContact OD1-NH1 3Å; D225-R228 IonicContact OD1-NH2 2.76Å; D225-R228 PolarHBondContact OD1-NH2 3.34Å; L226-R228 VanDerWaalsContact C-N 3.29Å; L226-R228 PolarHBondContact O-N 2.81Å
229	F	95.6	Very high	93.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-79.3	-59	170.2	175.5	-111.3	0	0	0	111.5	T152 N153 L157 L165 I168 D225 L226 L231 W257	T152-F229 CarbonylContact C-O 3.57Å; T152-F229 WeakPolarHBondContact CA-O 3.3Å; T152-F229 HydrophobicContact CG2-CE1 4.14Å; T152-F229 HydrophobicContact CG2-CE2 4.1Å; T152-F229 HydrophobicContact CG2-CZ 3.77Å; N153-F229 PolarHBondContact N-O 3.38Å; N153-F229 WeakPolarHBondContact O-CD2 3.44Å; L157-F229 HydrophobicContact CD1-CD2 4.16Å; L157-F229 HydrophobicContact CD1-CE2 3.76Å; L157-F229 HydrophobicContact CD1-CZ 4.44Å; L157-F229 HydrophobicContact CD2-CD2 3.91Å; L157-F229 HydrophobicContact CD2-CE2 4.26Å; L157-F229 HydrophobicContact CD2-CG 4.29Å; L157-F229 HydrophobicContact CG-CD2 4.05Å; L157-F229 HydrophobicContact CG-CE2 4.17Å; L165-F229 HydrophobicContact CD1-CE2 4.2Å; L165-F229 HydrophobicContact CD1-CZ 3.82Å; I168-F229 HydrophobicContact CD1-CE1 4.1Å; I168-F229 HydrophobicContact CD1-CZ 3.81Å; D225-F229 PolarHBondContact O-N 2.85Å; L226-F229 PolarHBondContact O-N 3.47Å; F229-L231 PolarHBondContact O-N 3.48Å; F229-W257 AromaticContact CE1-CH2 3.8Å; F229-W257 HydrophobicContact CE1-CH2 3.8Å; F229-W257 AromaticContact CE1-CZ3 3.8Å; F229-W257 HydrophobicContact CE1-CZ3 3.8Å; F229-W257 HydrophobicContact CE2-CH2 4.32Å; F229-W257 AromaticContact CZ-CH2 3.58Å; F229-W257 HydrophobicContact CZ-CH2 3.58Å; F229-W257 AromaticContact CZ-CZ3 3.92Å; F229-W257 HydrophobicContact CZ-CZ3 3.92Å
230	Y	96.9	Very high	93.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-89.6	101.2	176	-75.3	-62.5	0	0	0	110.9	M116 V150 T152 I168 Y217 K218 L226 D232 L233	M116-Y230 HydrophobicContact CE-CE1 3.77Å; V150-Y230 HydrophobicContact CG1-CD1 3.97Å; V150-Y230 HydrophobicContact CG1-CE1 4.15Å; T152-Y230 HydrophobicContact CG2-CD1 3.89Å; T152-Y230 HydrophobicContact CG2-CE1 3.99Å; I168-Y230 HydrophobicContact CD1-CE1 4.04Å; I168-Y230 HydrophobicContact CG2-CE1 4.17Å; Y217-Y230 AromaticContact CD1-CD1 3.81Å; Y217-Y230 HydrophobicContact CD1-CD1 3.81Å; Y217-Y230 HydrophobicContact CD1-CD2 4.12Å; Y217-Y230 HydrophobicContact CD1-CE1 4.13Å; Y217-Y230 HydrophobicContact CD1-CE2 4.42Å; Y217-Y230 AromaticContact CD1-CG 3.8Å; Y217-Y230 HydrophobicContact CD1-CG 3.8Å; Y217-Y230 HydrophobicContact CE1-CD1 4.37Å; K218-Y230 WeakPolarHBondContact O-CE2 3.36Å; K218-Y230 PolarHBondContact O-OH 2.89Å; L226-Y230 HydrophobicContact CD1-CD2 3.88Å; L226-Y230 HydrophobicContact CD1-CE2 4.23Å; L226-Y230 PolarHBondContact O-N 2.71Å; Y230-D232 PolarHBondContact O-N 3.21Å; Y230-L233 HydrophobicContact CD2-CD1 4.4Å; Y230-L233 PolarHBondContact O-N 3.21Å
231	L	95.9	Very high	93.6	Very high	80 Å²	80	33 Å²	33	42%	0.419	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-65.3	-24.5	-174.6	-52.6	178.4	0	0	0	112.8	P151 N153 F229 L233 A234 D235	P151-L231 HydrophobicContact CB-CB 4.11Å; P151-L231 HydrophobicContact CB-CD1 4.11Å; P151-L231 HydrophobicContact CB-CG 4.42Å; P151-L231 PolarHBondContact O-N 3.41Å; P151-L231 VanDerWaalsContact O-N 3.11Å; N153-L231 HydrophobicContact CB-CD2 4.23Å; F229-L231 PolarHBondContact O-N 3.48Å; L231-L233 VanDerWaalsContact C-N 3.27Å; L231-L233 PolarHBondContact O-N 2.78Å; L231-A234 PolarHBondContact O-N 3.35Å; L231-A234 VanDerWaalsContact O-N 3.14Å; L231-D235 PolarHBondContact O-N 2.99Å
232	D	96.2	Very high	93.9	Very high	7 Å²	7	33 Å²	33	4%	0.037	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-58.4	-36.8	173	-71.8	-12.6	0	0	0	112.4	F96 R148 Y217 Y230 A234 D235 L238	F96-D232 HydrophobicContact CE1-CB 4.44Å; F96-D232 HydrophobicContact CZ-CB 4.05Å; R148-D232 IonicContact CZ-OD1 3.02Å; R148-D232 IonicContact CZ-OD2 3.17Å; R148-D232 IonicContact NH1-OD1 2.58Å; R148-D232 IonicContact NH1-OD2 3.77Å; R148-D232 PolarHBondContact NH1-OD2 2.98Å; R148-D232 VanDerWaalsContact NH2-CG 3.27Å; R148-D232 IonicContact NH2-OD1 3.87Å; R148-D232 PolarHBondContact NH2-OD1 3.14Å; R148-D232 IonicContact NH2-OD2 3.78Å; R148-D232 PolarHBondContact NH2-OD2 2.96Å; Y217-D232 HydrophobicContact CE1-CB 4.03Å; Y217-D232 PolarHBondContact OH-OD2 2.73Å; Y230-D232 PolarHBondContact O-N 3.21Å; D232-A234 PolarHBondContact O-N 2.96Å; D232-D235 WeakPolarHBondContact O-CB 3.2Å; D232-D235 PolarHBondContact O-N 3.23Å; D232-D235 VanDerWaalsContact O-N 3.15Å; D232-L238 HydrophobicContact CB-CD1 4.08Å; D232-L238 VanDerWaalsContact O-CD1 3.27Å; D232-L238 WeakPolarHBondContact O-CD1 3.42Å
233	L	95.3	Very high	94.3	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-72.8	-17.5	179.5	-65.3	179.4	0	0	0	113	I64 L88 L90 Y217 L226 P227 Y230 L231 L238	I64-L233 HydrophobicContact CD1-CB 4.34Å; L88-L233 HydrophobicContact CD1-CD1 3.92Å; L88-L233 HydrophobicContact CD1-CD2 3.95Å; L90-L233 HydrophobicContact CD1-CD2 4.3Å; Y217-L233 HydrophobicContact CD2-CD2 4Å; Y217-L233 HydrophobicContact CG-CD1 4.45Å; Y217-L233 HydrophobicContact CG-CD2 4.08Å; Y217-L233 HydrophobicContact CG-CG 4.29Å; L226-L233 HydrophobicContact CD2-CD1 4.24Å; L226-L233 HydrophobicContact CG-CD1 3.91Å; P227-L233 HydrophobicContact CB-CB 4.23Å; Y230-L233 HydrophobicContact CD2-CD1 4.4Å; Y230-L233 PolarHBondContact O-N 3.21Å; L231-L233 VanDerWaalsContact C-N 3.27Å; L231-L233 PolarHBondContact O-N 2.78Å; L233-L238 HydrophobicContact CD2-CD1 4.36Å
234	A	92.1	Very high	94.7	Very high	59 Å²	59	32.2 Å²	32.2	49%	0.488	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-89.3	-8.3	172.4	0	0	0	0	0	113	L231 D232 L236	L231-A234 PolarHBondContact O-N 3.35Å; L231-A234 VanDerWaalsContact O-N 3.14Å; D232-A234 PolarHBondContact O-N 2.96Å; A234-L236 PolarHBondContact O-N 3.15Å
235	D	94.4	Very high	95	Very high	38 Å²	38	29.4 Å²	29.4	20%	0.203	15%	0.148	C	C	.	.			trans	-79	118.3	178.7	-167.8	-31.4	0	0	0	110.7	H57 F96 L231 D232 R237 L238	H57-D235 PolarHBondContact CE1-O 2.84Å; H57-D235 VanDerWaalsContact CE1-O 3.22Å; H57-D235 PolarHBondContact ND1-O 3.43Å; F96-D235 HydrophobicContact CE2-CB 4.15Å; L231-D235 PolarHBondContact O-N 2.99Å; D232-D235 WeakPolarHBondContact O-CB 3.2Å; D232-D235 PolarHBondContact O-N 3.23Å; D232-D235 VanDerWaalsContact O-N 3.15Å; D235-R237 PolarHBondContact O-N 3.24Å; D235-R237 WeakPolarHBondContact OD1-CB 3.35Å; D235-R237 WeakPolarHBondContact OD1-CG 3.29Å; D235-R237 PolarHBondContact OD1-N 3.01Å; D235-R237 IonicContact OD1-NE 3.58Å; D235-R237 PolarHBondContact OD1-NE 3.28Å; D235-R237 IonicContact OD2-CZ 3.5Å; D235-R237 IonicContact OD2-NE 2.75Å; D235-R237 PolarHBondContact OD2-NE 3.42Å; D235-R237 IonicContact OD2-NH2 3.55Å; D235-R237 PolarHBondContact OD2-NH2 2.94Å; D235-L238 WeakPolarHBondContact O-CB 3.26Å; D235-L238 PolarHBondContact O-N 3.17Å
236	L	94.2	Very high	95.1	Very high	128 Å²	128	28.4 Å²	28.4	67%	0.67	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-18.1	178.9	-60.4	178.3	0	0	0	113.7	A234 L238	A234-L236 PolarHBondContact O-N 3.15Å; L236-L238 VanDerWaalsContact C-N 3.29Å
237	R	95	Very high	94.9	Very high	86 Å²	86	28.6 Å²	28.6	33%	0.325	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-14.4	176.6	-56.4	175	-64.4	169.1	6.3	112.8	F96 E103 D235 E239	F96-R237 HydrophobicContact CD2-CB 4.15Å; E103-R237 IonicContact OE1-CZ 2.67Å; E103-R237 IonicContact OE1-NH1 3.27Å; E103-R237 PolarHBondContact OE1-NH1 2.9Å; E103-R237 IonicContact OE1-NH2 2.72Å; D235-R237 PolarHBondContact O-N 3.24Å; D235-R237 WeakPolarHBondContact OD1-CB 3.35Å; D235-R237 WeakPolarHBondContact OD1-CG 3.29Å; D235-R237 PolarHBondContact OD1-N 3.01Å; D235-R237 IonicContact OD1-NE 3.58Å; D235-R237 PolarHBondContact OD1-NE 3.28Å; D235-R237 IonicContact OD2-CZ 3.5Å; D235-R237 IonicContact OD2-NE 2.75Å; D235-R237 PolarHBondContact OD2-NE 3.42Å; D235-R237 IonicContact OD2-NH2 3.55Å; D235-R237 PolarHBondContact OD2-NH2 2.94Å; R237-E239 PolarHBondContact O-N 3.12Å
238	L	96.5	Very high	94.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.			trans	-83.1	92.3	176.4	-165.2	158.2	0	0	0	109.2	H57 V60 L90 P93 F96 Y217 D232 L233 D235 L236	H57-L238 PolarHBondContact ND1-O 2.83Å; V60-L238 HydrophobicContact CG1-CD2 4.15Å; V60-L238 HydrophobicContact CG2-CD2 4Å; L90-L238 HydrophobicContact CD1-CD2 3.81Å; P93-L238 HydrophobicContact CB-CG 4.25Å; P93-L238 HydrophobicContact CG-CG 4.33Å; F96-L238 HydrophobicContact CD1-CD1 4.26Å; F96-L238 HydrophobicContact CD1-CG 4.46Å; F96-L238 HydrophobicContact CD2-CB 4.01Å; F96-L238 HydrophobicContact CE1-CD1 4.23Å; F96-L238 HydrophobicContact CE2-CB 4.42Å; F96-L238 HydrophobicContact CG-CB 4.18Å; F96-L238 HydrophobicContact CG-CG 4.31Å; F96-L238 HydrophobicContact CZ-CD1 4.46Å; Y217-L238 HydrophobicContact CE2-CD1 4.44Å; D232-L238 HydrophobicContact CB-CD1 4.08Å; D232-L238 VanDerWaalsContact O-CD1 3.27Å; D232-L238 WeakPolarHBondContact O-CD1 3.42Å; L233-L238 HydrophobicContact CD2-CD1 4.36Å; D235-L238 WeakPolarHBondContact O-CB 3.26Å; D235-L238 PolarHBondContact O-N 3.17Å; L236-L238 VanDerWaalsContact C-N 3.29Å
239	E	95.9	Very high	94.1	Very high	46 Å²	46	21.6 Å²	21.6	22%	0.215	12%	0.115	C	C	.	.			trans	-106.2	141.6	-179.9	-62.6	169.4	159.3	0	0	110.2	P55 H57 P93 R95 R237	P55-E239 HydrophobicContact CB-CB 4.16Å; H57-E239 HydrophobicContact CB-CG 4.35Å; P93-E239 WeakPolarHBondContact CB-O 3.45Å; R95-E239 WeakPolarHBondContact CD-OE2 3.34Å; R95-E239 IonicContact CZ-OE1 2.71Å; R95-E239 IonicContact CZ-OE2 3.59Å; R95-E239 IonicContact NE-OE2 3.37Å; R95-E239 IonicContact NH1-OE1 3.32Å; R95-E239 PolarHBondContact NH1-OE1 3.47Å; R95-E239 IonicContact NH1-OE2 3.45Å; R95-E239 PolarHBondContact NH1-OE2 3.3Å; R237-E239 PolarHBondContact O-N 3.12Å
240	S	96.5	Very high	93.1	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.007	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-144.5	149.6	174.2	-177	0	0	0	0	110.6	S56 V59 Q91 I242	S56-S240 PolarHBondContact N-O 3.49Å; S56-S240 VanDerWaalsContact N-O 3.07Å; S56-S240 PolarHBondContact O-N 3.49Å; V59-S240 WeakPolarHBondContact CB-O 3.48Å; Q91-S240 PolarHBondContact N-OG 2.88Å; Q91-S240 PolarHBondContact O-OG 2.87Å; S240-I242 PolarHBondContact OG-N 3.08Å; S240-I242 PolarHBondContact OG-O 3.17Å
241	A	96.1	Very high	91.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-93	-15	171.6	0	0	0	0	0	113.3	A49 H50 G53 P55 Q91	A49-A241 CarbonylContact C-O 3.46Å; A49-A241 WeakPolarHBondContact CA-O 3.29Å; H50-A241 PolarHBondContact N-O 2.73Å; G53-A241 WeakPolarHBondContact O-CB 3.18Å; P55-A241 HydrophobicContact CB-CB 4.47Å; P55-A241 HydrophobicContact CG-CB 4.34Å; Q91-A241 VanDerWaalsContact OE1-CB 3.31Å
242	I	97	Very high	90.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	130.7	178.5	-53.5	170.8	0	0	0	108.8	L47 A49 L90 Q91 S240 A378 T432	L47-I242 HydrophobicContact CD1-CG2 3.91Å; A49-I242 HydrophobicContact CB-CG1 4.3Å; L90-I242 WeakPolarHBondContact CA-O 3.39Å; Q91-I242 HydrophobicContact CB-CB 4.08Å; Q91-I242 HydrophobicContact CB-CG1 4.46Å; Q91-I242 PolarHBondContact N-O 2.99Å; Q91-I242 VanDerWaalsContact N-O 3.13Å; S240-I242 PolarHBondContact OG-N 3.08Å; S240-I242 PolarHBondContact OG-O 3.17Å; I242-A378 HydrophobicContact CD1-CB 4.25Å; I242-A378 HydrophobicContact CG1-CB 4.4Å; I242-A378 HydrophobicContact CG2-CB 3.8Å; I242-T432 HydrophobicContact CD1-CG2 3.8Å; I242-T432 HydrophobicContact CG1-CG2 3.83Å
243	C	96.8	Very high	88.5	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	116.2	172.1	-165.6	0	0	0	0	110.6	L47 I48 V59 A63 L89 L90	L47-C243 CarbonylContact C-O 3.49Å; L47-C243 WeakPolarHBondContact CA-O 3.5Å; I48-C243 PolarHBondContact N-O 3.36Å; I48-C243 PolarHBondContact O-N 3.04Å; V59-C243 HydrophobicContact CG1-CB 3.95Å; A63-C243 HydrophobicContact CB-CB 3.89Å; A63-C243 WeakPolarHBondContact CB-SG 3.48Å; L89-C243 CarbonylContact O-C 3.56Å; L89-C243 VanDerWaalsContact O-CA 3.32Å; L89-C243 WeakPolarHBondContact O-CA 3.41Å; L90-C243 HydrophobicContact CD2-CB 4.07Å; L90-C243 VanDerWaalsContact CD2-SG 3.55Å
244	L	96	Very high	87.1	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	146.6	161.7	-45.9	177.2	0	0	0	108.5	G46 L47 L88 L89 P262 V371	G46-L244 CarbonylContact O-C 3.53Å; G46-L244 WeakPolarHBondContact O-CA 3.39Å; L47-L244 HydrophobicContact CB-CD2 3.98Å; L47-L244 HydrophobicContact CD1-CD2 3.64Å; L47-L244 HydrophobicContact CG-CD2 4.29Å; L88-L244 CarbonylContact C-O 3.52Å; L88-L244 VanDerWaalsContact CA-O 3.25Å; L88-L244 WeakPolarHBondContact CA-O 3.32Å; L89-L244 HydrophobicContact CB-CB 4.11Å; L89-L244 HydrophobicContact CB-CD1 4.17Å; L89-L244 HydrophobicContact CB-CG 4.32Å; L89-L244 HydrophobicContact CD1-CD1 4.13Å; L89-L244 HydrophobicContact CD2-CD1 3.92Å; L89-L244 HydrophobicContact CD2-CG 4.11Å; L89-L244 HydrophobicContact CG-CD1 4.31Å; L89-L244 PolarHBondContact N-O 2.71Å; L89-L244 PolarHBondContact O-N 3.44Å; L244-P262 HydrophobicContact CB-CG 4.28Å; L244-V371 HydrophobicContact CB-CG2 4.46Å; L244-V371 HydrophobicContact CD2-CB 3.97Å; L244-V371 HydrophobicContact CD2-CG2 4.07Å
245	F	94.7	Very high	86.2	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	148.2	176	56.3	-88.1	0	0	0	111.1	G46 I48 A63 A66 L67 M70 G87 L88 A403 I408	G46-F245 VanDerWaalsContact CA-CZ 3.48Å; G46-F245 PolarHBondContact N-O 3.05Å; G46-F245 WeakPolarHBondContact O-CD1 3.31Å; G46-F245 PolarHBondContact O-N 3.36Å; I48-F245 HydrophobicContact CD1-CE1 3.82Å; I48-F245 HydrophobicContact CD1-CZ 4.49Å; I48-F245 HydrophobicContact CG1-CE1 4Å; A63-F245 HydrophobicContact CB-CD1 3.88Å; A63-F245 HydrophobicContact CB-CE1 4.45Å; A66-F245 HydrophobicContact CB-CD2 4.49Å; A66-F245 HydrophobicContact CB-CE1 4.25Å; A66-F245 HydrophobicContact CB-CE2 3.79Å; A66-F245 HydrophobicContact CB-CZ 3.64Å; L67-F245 HydrophobicContact CB-CB 4.36Å; L67-F245 HydrophobicContact CB-CD2 4.17Å; L67-F245 HydrophobicContact CD1-CB 4.39Å; L67-F245 HydrophobicContact CD1-CD2 4.28Å; M70-F245 HydrophobicContact CE-CD2 3.63Å; M70-F245 HydrophobicContact CE-CE2 3.47Å; M70-F245 VanDerWaalsContact CE-CE2 3.47Å; M70-F245 HydrophobicContact SD-CE2 4.25Å; G87-F245 WeakPolarHBondContact O-CA 3.49Å; L88-F245 HydrophobicContact CD2-CB 3.52Å; F245-A403 HydrophobicContact CZ-CB 4.18Å; F245-I408 HydrophobicContact CE2-CD1 4.44Å; F245-I408 HydrophobicContact CZ-CD1 3.86Å
246	H	93.1	Very high	85.7	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	140.2	-174.1	-178	-73.8	0	0	0	112.9	C43 G44 L67 C86 G87 R248 Q261 P262 A267 H268	C43-H246 WeakPolarHBondContact CB-NE2 3.48Å; C43-H246 PolarHBondContact SG-CE1 3.41Å; C43-H246 PolarHBondContact SG-NE2 3.07Å; G44-H246 WeakPolarHBondContact O-CA 3.5Å; L67-H246 VanDerWaalsContact CD1-O 3.31Å; L67-H246 WeakPolarHBondContact CD1-O 3.36Å; C86-H246 VanDerWaalsContact CA-O 3.26Å; C86-H246 WeakPolarHBondContact CA-O 3.36Å; G87-H246 PolarHBondContact N-O 3.46Å; G87-H246 VanDerWaalsContact N-O 3.1Å; G87-H246 PolarHBondContact O-N 3.2Å; G87-H246 VanDerWaalsContact O-N 3.12Å; H246-R248 WeakPolarHBondContact CE1-CA 3.39Å; H246-R248 WeakPolarHBondContact CE1-CB 3.35Å; H246-R248 PolarHBondContact CE1-N 2.98Å; H246-R248 VanDerWaalsContact CE1-N 3.35Å; H246-Q261 HydrophobicContact CB-CB 4.07Å; H246-Q261 VanDerWaalsContact ND1-CB 3.34Å; H246-Q261 WeakPolarHBondContact ND1-CB 3.35Å; H246-Q261 VanDerWaalsContact NE2-CD 3.31Å; H246-Q261 PolarHBondContact NE2-NE2 3.19Å; H246-Q261 PolarHBondContact NE2-OE1 2.76Å; H246-P262 HydrophobicContact CB-CG 4.43Å; H246-A267 HydrophobicContact CB-CB 3.97Å; H246-H268 PolarHBondContact NE2-O 3.49Å
247	Q	88.9	Confident	85.5	Confident	4 Å²	4	19.3 Å²	19.3	2%	0.019	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.1	172.9	171.8	59	48.2	0	0	109.5	C43 G44 L67	C43-Q247 CarbonylContact C-O 3.5Å; C43-Q247 WeakPolarHBondContact CA-O 3.47Å; C43-Q247 WeakPolarHBondContact CB-O 3.41Å; G44-Q247 PolarHBondContact N-O 2.88Å; G44-Q247 PolarHBondContact O-N 3.31Å; L67-Q247 HydrophobicContact CD1-CB 3.84Å
248	R	83.8	Confident	85.3	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	148.5	178.6	-170.1	174.5	177.1	-119.8	5.4	112.3	E39 D41 D84 G85 H246	E39-R248 IonicContact OE2-NH2 2.7Å; E39-R248 PolarHBondContact OE2-NH2 3Å; D41-R248 IonicContact OD1-CZ 3.74Å; D41-R248 VanDerWaalsContact OD1-CZ 3.26Å; D41-R248 IonicContact OD1-NE 3.47Å; D41-R248 PolarHBondContact OD1-NE 2.98Å; D41-R248 IonicContact OD1-NH2 2.78Å; D41-R248 PolarHBondContact OD1-NH2 3.39Å; D41-R248 IonicContact OD2-CZ 3.54Å; D41-R248 VanDerWaalsContact OD2-CZ 3.22Å; D41-R248 IonicContact OD2-NE 2.77Å; D41-R248 PolarHBondContact OD2-NE 3.01Å; D41-R248 IonicContact OD2-NH2 2.83Å; D41-R248 PolarHBondContact OD2-NH2 3.44Å; D84-R248 HydrophobicContact CB-CB 4.2Å; D84-R248 HydrophobicContact CB-CG 4.2Å; D84-R248 PolarHBondContact O-NH1 3.23Å; G85-R248 WeakPolarHBondContact O-CB 3.31Å; G85-R248 PolarHBondContact O-N 2.97Å; H246-R248 WeakPolarHBondContact CE1-CA 3.39Å; H246-R248 WeakPolarHBondContact CE1-CB 3.35Å; H246-R248 PolarHBondContact CE1-N 2.98Å; H246-R248 VanDerWaalsContact CE1-N 3.35Å
249	F	84.5	Confident	84.9	Confident	4 Å²	4	17.9 Å²	17.9	2%	0.018	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	101.7	162.4	-162.8	-46.6	0	0	0	106.3	N42 A75 D84 I1008 E1009 A1012 K1046 A1047	N42-F249 PolarHBondContact N-O 2.98Å; N42-F249 CarbonylContact O-C 3.54Å; N42-F249 WeakPolarHBondContact O-CA 3.38Å; N42-F249 WeakPolarHBondContact O-CB 3.32Å; N42-F249 PolarHBondContact O-N 3.4Å; A75-F249 HydrophobicContact CB-CD1 3.78Å; A75-F249 HydrophobicContact CB-CD2 3.97Å; A75-F249 HydrophobicContact CB-CE1 3.71Å; A75-F249 HydrophobicContact CB-CE2 3.89Å; A75-F249 HydrophobicContact CB-CG 3.9Å; A75-F249 HydrophobicContact CB-CZ 3.76Å; D84-F249 WeakPolarHBondContact OD2-CA 3.48Å; F249-I1008 HydrophobicContact CB-CG2 4.12Å; F249-I1008 HydrophobicContact CD1-CB 4.47Å; F249-I1008 HydrophobicContact CD1-CG1 4.05Å; F249-I1008 HydrophobicContact CD1-CG2 3.5Å; F249-I1008 HydrophobicContact CD2-CG2 4.3Å; F249-I1008 HydrophobicContact CE1-CB 4.43Å; F249-I1008 HydrophobicContact CE1-CG1 3.55Å; F249-I1008 HydrophobicContact CE1-CG2 3.91Å; F249-I1008 HydrophobicContact CG-CG2 3.74Å; F249-I1008 HydrophobicContact CZ-CG1 3.87Å; F249-I1008 HydrophobicContact CZ-CG2 4.47Å; F249-E1009 HydrophobicContact CD2-CB 4.42Å; F249-A1012 HydrophobicContact CE2-CB 4.47Å; F249-K1046 HydrophobicContact CE1-CB 3.87Å; F249-K1046 HydrophobicContact CZ-CB 4.02Å; F249-A1047 HydrophobicContact CZ-CB 4.32Å
250	S	75.2	Confident	84.6	Confident	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	158.4	178.3	75.4	0	0	0	0	111.6	D41 D84 N252 K1046	D41-S250 WeakPolarHBondContact OD1-CB 3.41Å; D84-S250 PolarHBondContact OD2-N 3.01Å; D84-S250 PolarHBondContact OD2-OG 2.77Å; S250-N252 WeakPolarHBondContact CB-OD1 3.27Å; S250-N252 PolarHBondContact O-N 3.42Å; S250-N252 PolarHBondContact OG-N 2.7Å; S250-N252 PolarHBondContact OG-O 2.92Å; S250-N252 VanDerWaalsContact OG-O 3.11Å; S250-N252 PolarHBondContact OG-OD1 3.16Å; S250-K1046 PolarHBondContact O-NZ 2.95Å; S250-K1046 PolarHBondContact OG-NZ 3.33Å
251	T	68.1	Low	84.4	Confident	1 Å²	1	15.7 Å²	15.7	1%	0.006	8%	0.078	C	C	.	.	S	Bend	trans	-89.2	33.9	169.1	50.7	0	0	0	0	112.6	R40 T545 T1039 T1042	R40-T251 WeakPolarHBondContact CA-OG1 3.29Å; R40-T251 HydrophobicContact CB-CG2 4.4Å; R40-T251 PolarHBondContact N-OG1 3.13Å; R40-T251 WeakPolarHBondContact O-CB 3.46Å; R40-T251 WeakPolarHBondContact O-CG2 3.38Å; R40-T251 PolarHBondContact O-N 2.93Å; R40-T251 PolarHBondContact O-OG1 3.28Å; T251-T545 HydrophobicContact CG2-CG2 3.95Å; T251-T1039 HydrophobicContact CG2-CG2 4.36Å; T251-T1039 WeakPolarHBondContact O-CG2 3.34Å; T251-T1039 WeakPolarHBondContact OG1-CG2 3.33Å; T251-T1042 VanDerWaalsContact C-OG1 3.27Å; T251-T1042 PolarHBondContact O-OG1 3.43Å
252	N	66.4	Low	84.3	Confident	12 Å²	12	15.7 Å²	15.7	6%	0.064	8%	0.078	C	C	.	.			trans	-146.4	171.9	173.8	58.7	33.4	0	0	0	112.4	E39 S250 K1046	E39-N252 WeakPolarHBondContact CB-ND2 3.44Å; E39-N252 PolarHBondContact OE2-ND2 3.15Å; S250-N252 WeakPolarHBondContact CB-OD1 3.27Å; S250-N252 PolarHBondContact O-N 3.42Å; S250-N252 PolarHBondContact OG-N 2.7Å; S250-N252 PolarHBondContact OG-O 2.92Å; S250-N252 VanDerWaalsContact OG-O 3.11Å; S250-N252 PolarHBondContact OG-OD1 3.16Å; N252-K1046 PolarHBondContact O-NZ 3.37Å
253	T	58.4	Low	84.2	Confident	14 Å²	14	15.8 Å²	15.8	9%	0.086	8%	0.079	C	C	.	.	S	Bend	trans	-117.3	7.5	175.5	66.8	0	0	0	0	114.1	L77 P255 K1046 N1090 L1092	L77-T253 HydrophobicContact CD2-CG2 4.09Å; T253-P255 WeakPolarHBondContact O-CD 3.42Å; T253-K1046 HydrophobicContact CG2-CD 4.28Å; T253-N1090 WeakPolarHBondContact CB-OD1 3.41Å; T253-N1090 HydrophobicContact CG2-CB 3.8Å; T253-N1090 PolarHBondContact N-OD1 2.93Å; T253-N1090 VanDerWaalsContact OG1-CA 3.23Å; T253-N1090 WeakPolarHBondContact OG1-CA 3.11Å; T253-N1090 WeakPolarHBondContact OG1-CB 3.36Å; T253-N1090 VanDerWaalsContact OG1-CG 3.29Å; T253-N1090 PolarHBondContact OG1-O 3.14Å; T253-N1090 PolarHBondContact OG1-OD1 3.27Å; T253-L1092 HydrophobicContact CG2-CD1 3.61Å; T253-L1092 HydrophobicContact CG2-CG 4.13Å
254	V	65.1	Low	84.1	Confident	86 Å²	86	16.3 Å²	16.3	52%	0.521	8%	0.08	S	C	.	.	S	Bend	trans	-109.2	76.4	174.5	-170.3	0	0	0	0	108.3
255	P	74.2	Confident	84.1	Confident	4 Å²	4	17.3 Å²	17.3	3%	0.026	8%	0.084	C	C	.	.			trans	-67.5	141.6	-175	32.4	-40.2	0	0	0	110.6	L77 T82 I160 L220 T253	L77-P255 HydrophobicContact CD1-CB 4.29Å; L77-P255 VanDerWaalsContact CD1-CD 3.45Å; L77-P255 HydrophobicContact CD1-CG 3.51Å; T82-P255 HydrophobicContact CG2-CG 3.99Å; I160-P255 HydrophobicContact CG2-CG 3.92Å; L220-P255 HydrophobicContact CD1-CB 3.73Å; L220-P255 HydrophobicContact CD1-CG 3.81Å; L220-P255 WeakPolarHBondContact CD1-O 3.48Å; L220-P255 HydrophobicContact CD2-CB 3.93Å; L220-P255 HydrophobicContact CG-CB 4.4Å; T253-P255 WeakPolarHBondContact O-CD 3.42Å
256	R	83.3	Confident	84.1	Confident	141 Å²	141	17.3 Å²	17.3	53%	0.532	8%	0.084	S	C	.	.			trans	-116.3	128.8	178.5	-66.7	-174.1	170.1	-127.1	-1.5	110.8	L259	R256-L259 HydrophobicContact CB-CD1 3.87Å; R256-L259 HydrophobicContact CB-CG 4.01Å; R256-L259 HydrophobicContact CG-CD1 4.38Å; R256-L259 PolarHBondContact O-N 3.19Å
257	W	90.7	Very high	84.1	Confident	6 Å²	6	17.3 Å²	17.3	2%	0.023	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-51.9	-41.6	179.6	-72.9	81.6	0	0	0	114.5	F118 L157 A161 S164 L165 P166 I168 L220 F229 L259 A260	F118-W257 HydrophobicContact CD2-CB 4.05Å; F118-W257 HydrophobicContact CE2-CB 3.76Å; F118-W257 HydrophobicContact CE2-CE3 4.39Å; F118-W257 HydrophobicContact CZ-CE3 4.08Å; L157-W257 HydrophobicContact CD1-CH2 4.1Å; L157-W257 HydrophobicContact CD1-CZ2 3.98Å; A161-W257 PolarHBondContact O-NE1 3.46Å; S164-W257 PolarHBondContact O-NE1 3.12Å; S164-W257 PolarHBondContact OG-NE1 3.28Å; L165-W257 HydrophobicContact CB-CZ2 4.14Å; L165-W257 HydrophobicContact CD1-CH2 3.47Å; L165-W257 VanDerWaalsContact CD1-CH2 3.47Å; L165-W257 HydrophobicContact CD1-CZ2 3.51Å; L165-W257 HydrophobicContact CD1-CZ3 4.09Å; L165-W257 HydrophobicContact CG-CZ2 4.43Å; P166-W257 VanDerWaalsContact CD-CD2 3.47Å; P166-W257 VanDerWaalsContact CD-CG 3.48Å; P166-W257 HydrophobicContact CG-CB 4.23Å; P166-W257 HydrophobicContact CG-CD2 4.21Å; P166-W257 HydrophobicContact CG-CE3 4.34Å; P166-W257 HydrophobicContact CG-CG 4.15Å; I168-W257 HydrophobicContact CD1-CZ3 4.19Å; L220-W257 HydrophobicContact CB-CZ2 4.16Å; L220-W257 VanDerWaalsContact CD1-CD1 3.44Å; L220-W257 HydrophobicContact CD1-CD2 4.29Å; L220-W257 HydrophobicContact CD1-CG 3.93Å; L220-W257 HydrophobicContact CG-CD2 3.95Å; L220-W257 HydrophobicContact CG-CG 3.97Å; L220-W257 HydrophobicContact CG-CZ2 4.43Å; F229-W257 AromaticContact CE1-CH2 3.8Å; F229-W257 HydrophobicContact CE1-CH2 3.8Å; F229-W257 AromaticContact CE1-CZ3 3.8Å; F229-W257 HydrophobicContact CE1-CZ3 3.8Å; F229-W257 HydrophobicContact CE2-CH2 4.32Å; F229-W257 AromaticContact CZ-CH2 3.58Å; F229-W257 HydrophobicContact CZ-CH2 3.58Å; F229-W257 AromaticContact CZ-CZ3 3.92Å; F229-W257 HydrophobicContact CZ-CZ3 3.92Å; W257-L259 VanDerWaalsContact C-N 3.27Å; W257-L259 PolarHBondContact O-N 3.05Å; W257-A260 PolarHBondContact O-N 2.98Å
258	P	90	Very high	84.2	Confident	35 Å²	35	17.1 Å²	17.1	23%	0.227	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-60.7	-29.3	175.7	-29.3	38.5	0	0	0	115.5	Y206 K218	Y206-P258 HydrophobicContact CD1-CB 3.93Å; Y206-P258 HydrophobicContact CD1-CG 4.27Å; Y206-P258 HydrophobicContact CD2-CB 3.78Å; Y206-P258 HydrophobicContact CD2-CG 4.34Å; Y206-P258 HydrophobicContact CE1-CB 4.18Å; Y206-P258 HydrophobicContact CE2-CB 4.03Å; Y206-P258 HydrophobicContact CG-CB 3.71Å; Y206-P258 HydrophobicContact CG-CG 3.92Å; Y206-P258 PolarHBondContact OH-O 3.03Å; K218-P258 PolarHBondContact NZ-O 3.32Å
259	L	88.1	Confident	84.5	Confident	22 Å²	22	17.1 Å²	17.1	12%	0.115	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-87.2	-12.9	-174.2	-57.2	178	0	0	0	113.8	E39 R256 W257	E39-L259 VanDerWaalsContact CD-CD1 3.49Å; E39-L259 WeakPolarHBondContact OE1-CD1 3.35Å; E39-L259 VanDerWaalsContact OE2-CD1 3.26Å; E39-L259 WeakPolarHBondContact OE2-CD1 3.36Å; R256-L259 HydrophobicContact CB-CD1 3.87Å; R256-L259 HydrophobicContact CB-CG 4.01Å; R256-L259 HydrophobicContact CG-CD1 4.38Å; R256-L259 PolarHBondContact O-N 3.19Å; W257-L259 VanDerWaalsContact C-N 3.27Å; W257-L259 PolarHBondContact O-N 3.05Å
260	A	90.3	Very high	84.6	Confident	0 Å²	0	17 Å²	17	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-54.8	149.3	164.2	0	0	0	0	0	109.1	K218 W257	K218-A260 HydrophobicContact CB-CB 4.15Å; K218-A260 HydrophobicContact CD-CB 4.16Å; K218-A260 VanDerWaalsContact CD-O 3.23Å; K218-A260 WeakPolarHBondContact CD-O 3.32Å; K218-A260 VanDerWaalsContact CE-O 3.3Å; K218-A260 WeakPolarHBondContact CE-O 3.49Å; K218-A260 HydrophobicContact CG-CB 4.25Å; K218-A260 PolarHBondContact NZ-O 3.44Å; W257-A260 PolarHBondContact O-N 2.98Å
261	Q	92.1	Very high	85.2	Confident	1 Å²	1	17.6 Å²	17.6	1%	0.005	9%	0.086	C	C	.	.	S	Bend	trans	-115.2	162.6	179.5	-81	-166.5	58.3	0	0	110.1	G87 H246 F263 H268	G87-Q261 WeakPolarHBondContact CA-O 3.16Å; G87-Q261 PolarHBondContact N-O 3.12Å; H246-Q261 HydrophobicContact CB-CB 4.07Å; H246-Q261 VanDerWaalsContact ND1-CB 3.34Å; H246-Q261 WeakPolarHBondContact ND1-CB 3.35Å; H246-Q261 VanDerWaalsContact NE2-CD 3.31Å; H246-Q261 PolarHBondContact NE2-NE2 3.19Å; H246-Q261 PolarHBondContact NE2-OE1 2.76Å; Q261-F263 VanDerWaalsContact CD-CE2 3.45Å; Q261-F263 HydrophobicContact CG-CD2 3.63Å; Q261-F263 HydrophobicContact CG-CE2 3.3Å; Q261-F263 HydrophobicContact CG-CG 4.37Å; Q261-F263 HydrophobicContact CG-CZ 3.83Å; Q261-H268 PolarHBondContact NE2-O 3.35Å; Q261-H268 PolarHBondContact OE1-O 2.7Å
262	P	94.6	Very high	86.2	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.086	C	C	.	.			cis	-65.9	162.6	3.8	-24.1	36.1	0	0	0	116.6	G87 L89 K218 L244 H246 A267	G87-P262 VanDerWaalsContact C-CD 3.5Å; L89-P262 HydrophobicContact CB-CB 3.84Å; L89-P262 HydrophobicContact CB-CG 3.81Å; L89-P262 HydrophobicContact CD1-CB 4.45Å; K218-P262 PolarHBondContact NZ-O 2.56Å; L244-P262 HydrophobicContact CB-CG 4.28Å; H246-P262 HydrophobicContact CB-CG 4.43Å; P262-A267 HydrophobicContact CB-CB 4Å; P262-A267 HydrophobicContact CG-CB 4Å
263	F	94.4	Very high	87.4	Confident	2 Å²	2	17.6 Å²	17.6	1%	0.009	9%	0.086	C	C	.	.			trans	-89.4	-166.7	162.7	-65.3	-66.1	0	0	0	110.6	L89 I216 Q261 Y265 L266 D315	L89-F263 WeakPolarHBondContact CD1-O 3.49Å; I216-F263 WeakPolarHBondContact CD1-O 3.29Å; Q261-F263 VanDerWaalsContact CD-CE2 3.45Å; Q261-F263 HydrophobicContact CG-CD2 3.63Å; Q261-F263 HydrophobicContact CG-CE2 3.3Å; Q261-F263 HydrophobicContact CG-CG 4.37Å; Q261-F263 HydrophobicContact CG-CZ 3.83Å; F263-Y265 PolarHBondContact O-N 2.82Å; F263-L266 PolarHBondContact N-O 3.38Å; F263-D315 HydrophobicContact CB-CB 3.73Å; F263-D315 WeakPolarHBondContact CB-OD2 3.36Å; F263-D315 HydrophobicContact CG-CB 4.33Å
264	R	94.6	Very high	89	Confident	10 Å²	10	17 Å²	17	4%	0.038	8%	0.082	C	C	.	.	S	Bend	trans	-63.7	-37.6	-164.4	-70.6	103.7	-174.5	-144.6	0.4	113.5	L89 E196 V207 D315 N316 E319	L89-R264 WeakPolarHBondContact CD1-O 3.49Å; E196-R264 IonicContact OE1-CZ 3.98Å; E196-R264 IonicContact OE1-NH1 2.77Å; E196-R264 IonicContact OE1-NH2 3.81Å; E196-R264 PolarHBondContact OE1-NH2 2.91Å; V207-R264 PolarHBondContact O-NH2 3.4Å; V207-R264 VanDerWaalsContact O-NH2 3.16Å; R264-D315 WeakPolarHBondContact CB-OD2 3.39Å; R264-D315 WeakPolarHBondContact CD-OD2 3.43Å; R264-D315 PolarHBondContact N-OD1 2.86Å; R264-D315 VanDerWaalsContact N-OD1 3.15Å; R264-D315 PolarHBondContact N-OD2 2.75Å; R264-N316 PolarHBondContact NH1-ND2 3.49Å; R264-E319 IonicContact NH1-OE2 3.78Å
265	Y	95.2	Very high	90.3	Very high	22 Å²	22	13.8 Å²	13.8	9%	0.086	6%	0.062	C	C	.	.	S	Bend	trans	-124.3	-23.4	-179.3	-68.1	-85.2	0	0	0	113.1	F263 D315 E319 L322 M372 S373	F263-Y265 PolarHBondContact O-N 2.82Å; Y265-D315 PolarHBondContact N-OD1 2.99Å; Y265-E319 HydrophobicContact CD2-CB 4.04Å; Y265-E319 HydrophobicContact CD2-CG 4.35Å; Y265-E319 HydrophobicContact CE2-CB 3.94Å; Y265-E319 HydrophobicContact CE2-CG 3.76Å; Y265-L322 HydrophobicContact CD1-CD1 3.79Å; Y265-L322 HydrophobicContact CD2-CD1 4.43Å; Y265-L322 HydrophobicContact CE1-CD1 3.99Å; Y265-L322 HydrophobicContact CG-CD1 4.02Å; Y265-M372 CarbonylContact O-C 3.57Å; Y265-M372 WeakPolarHBondContact O-CA 3.45Å; Y265-M372 WeakPolarHBondContact O-CB 3.42Å; Y265-S373 WeakPolarHBondContact CD1-O 3.46Å; Y265-S373 PolarHBondContact O-N 3.41Å
266	L	94.2	Very high	91	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	158.7	-173.8	72.3	84.8	0	0	0	114.9	F263 H268 M314 D315 L318 I370 V371 M372	F263-L266 PolarHBondContact N-O 3.38Å; L266-H268 HydrophobicContact CD1-CB 3.81Å; L266-M314 HydrophobicContact CD1-CE 4.19Å; L266-M314 HydrophobicContact CD2-CE 4.06Å; L266-M314 HydrophobicContact CD2-CG 4.14Å; L266-D315 HydrophobicContact CD1-CB 4.47Å; L266-D315 HydrophobicContact CD2-CB 3.94Å; L266-D315 HydrophobicContact CG-CB 3.92Å; L266-D315 PolarHBondContact N-OD1 2.98Å; L266-L318 HydrophobicContact CD2-CD2 3.98Å; L266-I370 HydrophobicContact CB-CG2 3.9Å; L266-I370 HydrophobicContact CD1-CG2 4.37Å; L266-I370 HydrophobicContact CD2-CG2 4.37Å; L266-I370 HydrophobicContact CG-CG2 4.45Å; L266-V371 CarbonylContact C-O 3.38Å; L266-V371 WeakPolarHBondContact CA-O 3.41Å; L266-M372 HydrophobicContact CB-CB 4.11Å
267	A	93.2	Very high	91.4	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.4	158.2	0	0	0	0	0	108.9	H246 P262 I370 V371	H246-A267 HydrophobicContact CB-CB 3.97Å; P262-A267 HydrophobicContact CB-CB 4Å; P262-A267 HydrophobicContact CG-CB 4Å; A267-I370 WeakPolarHBondContact O-CA 3.4Å; A267-V371 HydrophobicContact CB-CG2 3.96Å; A267-V371 PolarHBondContact N-O 2.98Å; A267-V371 PolarHBondContact O-N 3.17Å
268	H	92	Very high	91.5	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125.9	-174	175.8	-134.5	0	0	0	110.4	H246 Q261 L266 G270 E271 D310 S311 M314 P367 A368	H246-H268 PolarHBondContact NE2-O 3.49Å; Q261-H268 PolarHBondContact NE2-O 3.35Å; Q261-H268 PolarHBondContact OE1-O 2.7Å; L266-H268 HydrophobicContact CD1-CB 3.81Å; H268-G270 PolarHBondContact CE1-O 2.89Å; H268-E271 PolarHBondContact CE1-N 2.75Å; H268-D310 IonicContact CE1-OD2 3.68Å; H268-S311 PolarHBondContact ND1-OG 2.82Å; H268-M314 HydrophobicContact CB-CE 4.06Å; H268-P367 PolarHBondContact NE2-O 2.57Å; H268-A368 WeakPolarHBondContact NE2-CA 3.45Å; H268-A368 VanDerWaalsContact NE2-CB 3.3Å; H268-A368 WeakPolarHBondContact NE2-CB 3.47Å
269	N	89.4	Confident	91.6	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	120.1	158.9	167.7	-151.7	0	0	0	108.1	C43 F45 R73 G369 R388 E1009	C43-N269 HydrophobicContact CB-CB 3.9Å; C43-N269 PolarHBondContact N-ND2 2.93Å; C43-N269 PolarHBondContact O-ND2 2.96Å; C43-N269 PolarHBondContact O-OD1 2.77Å; C43-N269 VanDerWaalsContact O-OD1 3.07Å; F45-N269 HydrophobicContact CB-CB 4.32Å; F45-N269 HydrophobicContact CD1-CB 3.37Å; F45-N269 HydrophobicContact CE1-CB 4.04Å; F45-N269 HydrophobicContact CG-CB 4.19Å; R73-N269 PolarHBondContact NH1-OD1 3.31Å; N269-G369 PolarHBondContact N-O 3.44Å; N269-G369 PolarHBondContact O-N 3.41Å; N269-R388 PolarHBondContact ND2-NE 2.95Å; N269-R388 WeakPolarHBondContact O-CG 3.14Å; N269-R388 PolarHBondContact OD1-NE 3.41Å; N269-R388 PolarHBondContact OD1-NH2 3.46Å; N269-E1009 PolarHBondContact ND2-OE1 2.87Å
270	G	86.9	Confident	91.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.8	-173.2	-176.5	0	0	0	0	0	110.3	N42 H268 P367	N42-G270 WeakPolarHBondContact OD1-CA 3.4Å; H268-G270 PolarHBondContact CE1-O 2.89Å; G270-P367 CarbonylContact C-O 3.03Å; G270-P367 WeakPolarHBondContact CA-O 3Å
271	E	87.3	Confident	91.9	Very high	13 Å²	13	9.9 Å²	9.9	6%	0.061	5%	0.048	C	C	.	.			trans	-144.3	121.4	-175.9	179.9	82.1	-155.4	0	0	108.5	R40 D41 H268 N273 D310 P367 N546	R40-E271 WeakPolarHBondContact CA-OE2 3.45Å; R40-E271 VanDerWaalsContact CB-OE2 3.24Å; R40-E271 WeakPolarHBondContact CB-OE2 3.4Å; R40-E271 WeakPolarHBondContact CD-OE1 3.45Å; R40-E271 VanDerWaalsContact CG-OE1 3.3Å; R40-E271 WeakPolarHBondContact CG-OE1 3.48Å; R40-E271 IonicContact NE-OE1 2.58Å; D41-E271 PolarHBondContact N-OE2 3.13Å; H268-E271 PolarHBondContact CE1-N 2.75Å; E271-N273 PolarHBondContact O-N 2.97Å; E271-N273 VanDerWaalsContact O-N 3.11Å; E271-D310 WeakPolarHBondContact CA-OD2 3.46Å; E271-P367 PolarHBondContact N-O 3.01Å; E271-P367 WeakPolarHBondContact O-CD 3.43Å; E271-N546 HydrophobicContact CB-CB 4.37Å
272	I	90.8	Very high	91.9	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.005	5%	0.05	C	C	.	.			trans	-79.9	94.4	179.2	-52.6	-57.2	0	0	0	109.6	T274 I275 D310 M314 W364 D365 A368	I272-T274 PolarHBondContact O-N 2.8Å; I272-T274 VanDerWaalsContact O-N 3.12Å; I272-I275 HydrophobicContact CB-CB 4.47Å; I272-I275 HydrophobicContact CG2-CB 4.37Å; I272-I275 WeakPolarHBondContact O-CB 3.39Å; I272-I275 WeakPolarHBondContact O-CG2 3.07Å; I272-I275 PolarHBondContact O-N 2.72Å; I272-I275 VanDerWaalsContact O-N 3.17Å; I272-D310 HydrophobicContact CB-CB 4.18Å; I272-D310 HydrophobicContact CG1-CB 4.46Å; I272-D310 PolarHBondContact N-OD2 3.49Å; I272-M314 HydrophobicContact CD1-CE 4.33Å; I272-M314 HydrophobicContact CD1-SD 4.1Å; I272-M314 HydrophobicContact CG1-SD 4.49Å; I272-W364 HydrophobicContact CG2-CB 4.07Å; I272-W364 HydrophobicContact CG2-CE3 4.14Å; I272-D365 CarbonylContact C-O 3.56Å; I272-D365 WeakPolarHBondContact CA-O 3.5Å; I272-A368 HydrophobicContact CD1-CB 4.46Å
273	N	90.6	Very high	91.7	Very high	12 Å²	12	13.9 Å²	13.9	6%	0.064	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-8.3	-173.7	66	13.4	0	0	0	114.4	E271 D365 G366 M748 G749 I750	E271-N273 PolarHBondContact O-N 2.97Å; E271-N273 VanDerWaalsContact O-N 3.11Å; N273-D365 PolarHBondContact N-O 3.49Å; N273-D365 PolarHBondContact OD1-O 3.27Å; N273-G366 PolarHBondContact OD1-N 3.45Å; N273-M748 HydrophobicContact CB-CG 4.18Å; N273-M748 PolarHBondContact ND2-O 3.34Å; N273-G749 PolarHBondContact ND2-O 3.04Å; N273-I750 WeakPolarHBondContact OD1-CG1 3.32Å
274	T	92.4	Very high	91.6	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.006	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	4.4	175.7	54	0	0	0	0	114.3	I272 T276 G277 N278 D365 I750	I272-T274 PolarHBondContact O-N 2.8Å; I272-T274 VanDerWaalsContact O-N 3.12Å; T274-T276 VanDerWaalsContact C-N 3.3Å; T274-T276 PolarHBondContact O-N 3.15Å; T274-G277 WeakPolarHBondContact O-CA 3.26Å; T274-G277 PolarHBondContact O-N 3.4Å; T274-N278 WeakPolarHBondContact CB-OD1 3.37Å; T274-N278 PolarHBondContact O-N 2.94Å; T274-N278 PolarHBondContact O-OD1 3.43Å; T274-N278 VanDerWaalsContact O-OD1 3.09Å; T274-N278 PolarHBondContact OG1-OD1 3.01Å; T274-D365 HydrophobicContact CG2-CB 3.82Å; T274-D365 PolarHBondContact OG1-N 2.96Å; T274-I750 HydrophobicContact CG2-CD1 3.8Å; T274-I750 HydrophobicContact CG2-CG1 3.82Å; T274-I750 HydrophobicContact CG2-CG2 3.98Å
275	I	91.6	Very high	91.5	Very high	20 Å²	20	13.8 Å²	13.8	10%	0.103	6%	0.064	C	C	.	.	H	α-helix	trans	-52.3	-38	-166.2	-174.4	60.9	0	0	0	115.2	I272 G277 N278 R279 D310 W364	I272-I275 HydrophobicContact CB-CB 4.47Å; I272-I275 HydrophobicContact CG2-CB 4.37Å; I272-I275 WeakPolarHBondContact O-CB 3.39Å; I272-I275 WeakPolarHBondContact O-CG2 3.07Å; I272-I275 PolarHBondContact O-N 2.72Å; I272-I275 VanDerWaalsContact O-N 3.17Å; I275-G277 PolarHBondContact O-N 3.17Å; I275-N278 PolarHBondContact O-N 3.43Å; I275-R279 HydrophobicContact CD1-CG 4.01Å; I275-R279 HydrophobicContact CG1-CG 4.24Å; I275-R279 WeakPolarHBondContact O-CB 3.42Å; I275-R279 WeakPolarHBondContact O-CG 3.42Å; I275-R279 PolarHBondContact O-N 3.31Å; I275-D310 HydrophobicContact CB-CB 4.25Å; I275-D310 HydrophobicContact CD1-CB 4.32Å; I275-D310 HydrophobicContact CG1-CB 4.01Å; I275-W364 HydrophobicContact CD1-CE3 4.29Å; I275-W364 HydrophobicContact CD1-CH2 4.31Å; I275-W364 HydrophobicContact CD1-CZ3 3.65Å
276	T	89.2	Confident	91.3	Very high	60 Å²	60	14.3 Å²	14.3	37%	0.368	7%	0.069	S	C	.	.	H	α-helix	trans	-61.4	-43.7	177.4	-55.9	0	0	0	0	111.9	T274 Q280 S759	T274-T276 VanDerWaalsContact C-N 3.3Å; T274-T276 PolarHBondContact O-N 3.15Å; T276-Q280 PolarHBondContact O-N 3.43Å; T276-S759 WeakPolarHBondContact CB-O 3.46Å; T276-S759 WeakPolarHBondContact CG2-O 3.29Å
277	G	91.3	Very high	91.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-66.8	-46.6	174.7	0	0	0	0	0	111.1	T274 I275 R279 Q280 W281	T274-G277 WeakPolarHBondContact O-CA 3.26Å; T274-G277 PolarHBondContact O-N 3.4Å; I275-G277 PolarHBondContact O-N 3.17Å; G277-R279 VanDerWaalsContact C-N 3.35Å; G277-R279 PolarHBondContact O-N 2.68Å; G277-Q280 PolarHBondContact O-N 2.91Å; G277-Q280 VanDerWaalsContact O-N 3.14Å; G277-W281 PolarHBondContact O-N 2.95Å
278	N	93.6	Very high	91.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.9	-40.6	-179.8	-60.1	126.2	0	0	0	112.7	T274 I275 W281 A282 E362 P363 W364	T274-N278 WeakPolarHBondContact CB-OD1 3.37Å; T274-N278 PolarHBondContact O-N 2.94Å; T274-N278 PolarHBondContact O-OD1 3.43Å; T274-N278 VanDerWaalsContact O-OD1 3.09Å; T274-N278 PolarHBondContact OG1-OD1 3.01Å; I275-N278 PolarHBondContact O-N 3.43Å; N278-W281 PolarHBondContact O-N 3.16Å; N278-A282 VanDerWaalsContact O-CB 3.29Å; N278-A282 WeakPolarHBondContact O-CB 3.45Å; N278-A282 PolarHBondContact O-N 2.71Å; N278-E362 WeakPolarHBondContact CA-OE1 3.46Å; N278-E362 WeakPolarHBondContact ND2-CG 3.22Å; N278-E362 PolarHBondContact ND2-OE1 2.91Å; N278-P363 PolarHBondContact ND2-O 3.11Å; N278-W364 HydrophobicContact CB-CD2 3.85Å; N278-W364 HydrophobicContact CB-CE3 4.2Å; N278-W364 HydrophobicContact CB-CG 4.39Å; N278-W364 HydrophobicContact CB-CH2 4.11Å; N278-W364 HydrophobicContact CB-CZ2 3.74Å; N278-W364 HydrophobicContact CB-CZ3 4.31Å
279	R	92.3	Very high	91.1	Very high	39 Å²	39	18.5 Å²	18.5	15%	0.147	9%	0.086	C	C	.	.	H	α-helix	trans	-61.9	-45.1	173.5	-75.8	172.7	173.3	157.6	7.7	111.7	I275 G277 A282 R283 V304 N305 E306 G308 S309 S313	I275-R279 HydrophobicContact CD1-CG 4.01Å; I275-R279 HydrophobicContact CG1-CG 4.24Å; I275-R279 WeakPolarHBondContact O-CB 3.42Å; I275-R279 WeakPolarHBondContact O-CG 3.42Å; I275-R279 PolarHBondContact O-N 3.31Å; G277-R279 VanDerWaalsContact C-N 3.35Å; G277-R279 PolarHBondContact O-N 2.68Å; R279-A282 PolarHBondContact O-N 2.8Å; R279-R283 PolarHBondContact O-N 2.87Å; R279-V304 HydrophobicContact CG-CG1 4.4Å; R279-N305 PolarHBondContact NE-O 2.89Å; R279-E306 WeakPolarHBondContact CD-O 3.38Å; R279-G308 PolarHBondContact NH1-O 3.38Å; R279-G308 PolarHBondContact NH2-O 3.21Å; R279-S309 PolarHBondContact NH2-O 2.78Å; R279-S313 PolarHBondContact NE-OG 3.02Å; R279-S313 VanDerWaalsContact NE-OG 3.07Å; R279-S313 PolarHBondContact NH2-OG 3.47Å
280	Q	90.9	Very high	91.2	Very high	11 Å²	11	23.6 Å²	23.6	5%	0.051	11%	0.11	C	C	.	.	H	α-helix	trans	-65.9	-39	178.3	-169.4	173.5	15.6	0	0	112.1	T276 G277 R283 A284 V670 C758	T276-Q280 PolarHBondContact O-N 3.43Å; G277-Q280 PolarHBondContact O-N 2.91Å; G277-Q280 VanDerWaalsContact O-N 3.14Å; Q280-R283 PolarHBondContact O-N 2.98Å; Q280-A284 WeakPolarHBondContact O-CB 3.34Å; Q280-A284 PolarHBondContact O-N 3.23Å; Q280-V670 HydrophobicContact CG-CG1 4.17Å; Q280-V670 HydrophobicContact CG-CG2 4.2Å; Q280-C758 PolarHBondContact OE1-O 3.12Å
281	W	92.9	Very high	91.5	Very high	15 Å²	15	24.2 Å²	24.2	6%	0.057	11%	0.114	C	C	.	.	H	α-helix	trans	-69.3	-39.9	175.5	-77.8	118.8	0	0	0	112.7	G277 N278 R283 A284 R285 E567 R675 R757 C758	G277-W281 PolarHBondContact O-N 2.95Å; N278-W281 PolarHBondContact O-N 3.16Å; W281-R283 VanDerWaalsContact C-N 3.3Å; W281-R283 PolarHBondContact O-N 3.21Å; W281-A284 HydrophobicContact CE3-CB 4.36Å; W281-A284 PolarHBondContact O-N 2.86Å; W281-R285 WeakPolarHBondContact O-CB 3.43Å; W281-R285 WeakPolarHBondContact O-CG 3.44Å; W281-R285 PolarHBondContact O-N 2.85Å; W281-E567 VanDerWaalsContact CZ3-OE1 3.26Å; W281-E567 WeakPolarHBondContact CZ3-OE1 3.44Å; W281-R675 HydrophobicContact CH2-CG 4.48Å; W281-R675 HydrophobicContact CZ3-CG 4.36Å; W281-R757 PolarHBondContact NE1-O 2.89Å; W281-C758 VanDerWaalsContact CZ2-SG 3.6Å
282	A	92.5	Very high	91.7	Very high	6 Å²	6	29.5 Å²	29.5	5%	0.05	15%	0.149	C	C	.	.	H	α-helix	trans	-58.3	-42.6	171.3	0	0	0	0	0	111.5	N278 R279 R285 T286 V304 M317	N278-A282 VanDerWaalsContact O-CB 3.29Å; N278-A282 WeakPolarHBondContact O-CB 3.45Å; N278-A282 PolarHBondContact O-N 2.71Å; R279-A282 PolarHBondContact O-N 2.8Å; A282-R285 PolarHBondContact O-N 3.08Å; A282-T286 PolarHBondContact O-N 3.33Å; A282-T286 PolarHBondContact O-OG1 3.41Å; A282-V304 HydrophobicContact CB-CB 4.29Å; A282-V304 HydrophobicContact CB-CG2 4.01Å; A282-M317 HydrophobicContact CB-CE 3.65Å
283	R	91.1	Very high	91.8	Very high	79 Å²	79	33.2 Å²	33.2	30%	0.298	17%	0.169	S	C	.	.	H	α-helix	trans	-62	-49.2	173.2	-173.3	167.1	93.8	-159.8	8.9	111.8	R279 Q280 W281 R285 T286 E306 V670 D671	R279-R283 PolarHBondContact O-N 2.87Å; Q280-R283 PolarHBondContact O-N 2.98Å; W281-R283 VanDerWaalsContact C-N 3.3Å; W281-R283 PolarHBondContact O-N 3.21Å; R283-R285 VanDerWaalsContact C-N 3.25Å; R283-R285 PolarHBondContact O-N 3.23Å; R283-T286 VanDerWaalsContact O-CB 3.3Å; R283-T286 WeakPolarHBondContact O-CB 3.26Å; R283-T286 PolarHBondContact O-N 3.45Å; R283-T286 VanDerWaalsContact O-N 3.12Å; R283-T286 PolarHBondContact O-OG1 3.05Å; R283-E306 WeakPolarHBondContact CD-OE1 3.3Å; R283-E306 IonicContact CZ-OE1 2.71Å; R283-E306 IonicContact NH1-OE1 3.24Å; R283-E306 PolarHBondContact NH1-OE1 2.83Å; R283-V670 HydrophobicContact CG-CG1 4.38Å; R283-D671 IonicContact CZ-OD1 3.01Å; R283-D671 IonicContact NE-OD1 2.71Å; R283-D671 IonicContact NH2-OD1 2.68Å; R283-D671 PolarHBondContact NH2-OD1 3.48Å
284	A	91.9	Very high	91.9	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-57.9	-36.7	178.9	0	0	0	0	0	112.7	Q280 W281 T286 Y287 V670	Q280-A284 WeakPolarHBondContact O-CB 3.34Å; Q280-A284 PolarHBondContact O-N 3.23Å; W281-A284 HydrophobicContact CE3-CB 4.36Å; W281-A284 PolarHBondContact O-N 2.86Å; A284-T286 VanDerWaalsContact C-N 3.34Å; A284-T286 PolarHBondContact O-N 2.89Å; A284-Y287 VanDerWaalsContact O-CD1 3.29Å; A284-Y287 WeakPolarHBondContact O-CD1 3.47Å; A284-Y287 WeakPolarHBondContact O-CE1 3.32Å; A284-V670 HydrophobicContact CB-CG1 4.21Å; A284-V670 HydrophobicContact CB-CG2 4.15Å
285	R	92.1	Very high	91.9	Very high	10 Å²	10	38.1 Å²	38.1	4%	0.038	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-3.1	179.7	-69.4	179.3	-169.2	117.6	12.6	115.1	W281 A282 R283 Y287 K288 F289 H360 E362 E567	W281-R285 WeakPolarHBondContact O-CB 3.43Å; W281-R285 WeakPolarHBondContact O-CG 3.44Å; W281-R285 PolarHBondContact O-N 2.85Å; A282-R285 PolarHBondContact O-N 3.08Å; R283-R285 VanDerWaalsContact C-N 3.25Å; R283-R285 PolarHBondContact O-N 3.23Å; R285-Y287 PolarHBondContact O-N 3.25Å; R285-K288 WeakPolarHBondContact O-CA 3.42Å; R285-K288 WeakPolarHBondContact O-CB 3.28Å; R285-K288 PolarHBondContact O-N 3.44Å; R285-F289 HydrophobicContact CB-CD2 4.12Å; R285-F289 HydrophobicContact CB-CE1 4.15Å; R285-F289 HydrophobicContact CB-CE2 3.48Å; R285-F289 VanDerWaalsContact CB-CE2 3.48Å; R285-F289 HydrophobicContact CB-CZ 3.5Å; R285-F289 VanDerWaalsContact CB-CZ 3.5Å; R285-F289 HydrophobicContact CG-CZ 4.37Å; R285-F289 WeakPolarHBondContact O-CD2 3.19Å; R285-F289 PolarHBondContact O-N 3.07Å; R285-H360 PolarHBondContact NE-O 3.49Å; R285-H360 VanDerWaalsContact NE-O 3.13Å; R285-E362 IonicContact CZ-OE2 3.39Å; R285-E362 IonicContact NH1-OE1 2.68Å; R285-E362 IonicContact NH1-OE2 2.69Å; R285-E362 PolarHBondContact NH1-OE2 3Å; R285-E362 IonicContact NH2-OE2 2.76Å; R285-E362 PolarHBondContact NH2-OE2 3.4Å; R285-E567 IonicContact CZ-OE2 3.7Å; R285-E567 IonicContact NE-OE2 3.57Å; R285-E567 PolarHBondContact NE-OE2 2.74Å; R285-E567 IonicContact NH2-OE2 3.74Å; R285-E567 PolarHBondContact NH2-OE2 2.82Å; R285-E567 VanDerWaalsContact NH2-OE2 3.14Å
286	T	91.3	Very high	91.9	Very high	32 Å²	32	39 Å²	39	20%	0.196	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-39.7	-173.8	-59.8	0	0	0	0	113.8	A282 R283 A284 H298 A301 F303	A282-T286 PolarHBondContact O-N 3.33Å; A282-T286 PolarHBondContact O-OG1 3.41Å; R283-T286 VanDerWaalsContact O-CB 3.3Å; R283-T286 WeakPolarHBondContact O-CB 3.26Å; R283-T286 PolarHBondContact O-N 3.45Å; R283-T286 VanDerWaalsContact O-N 3.12Å; R283-T286 PolarHBondContact O-OG1 3.05Å; A284-T286 VanDerWaalsContact C-N 3.34Å; A284-T286 PolarHBondContact O-N 2.89Å; T286-H298 PolarHBondContact O-CE1 3.07Å; T286-H298 PolarHBondContact O-ND1 2.85Å; T286-A301 HydrophobicContact CG2-CB 3.81Å; T286-F303 HydrophobicContact CG2-CD2 4.36Å; T286-F303 HydrophobicContact CG2-CE2 3.83Å
287	Y	91	Very high	92.1	Very high	55 Å²	55	36.3 Å²	36.3	22%	0.216	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-21.3	179.1	76.4	-70.2	0	0	0	114.7	A284 R285 Q290 S673 C676 D677	A284-Y287 VanDerWaalsContact O-CD1 3.29Å; A284-Y287 WeakPolarHBondContact O-CD1 3.47Å; A284-Y287 WeakPolarHBondContact O-CE1 3.32Å; R285-Y287 PolarHBondContact O-N 3.25Å; Y287-Q290 PolarHBondContact O-NE2 3.44Å; Y287-S673 WeakPolarHBondContact CE1-O 3.05Å; Y287-S673 PolarHBondContact OH-O 3.05Å; Y287-C676 HydrophobicContact CE1-CB 4.17Å; Y287-C676 WeakPolarHBondContact OH-CB 3.47Å; Y287-D677 VanDerWaalsContact OH-CG 3.31Å; Y287-D677 PolarHBondContact OH-OD2 3.49Å
288	K	91.9	Very high	92.1	Very high	31 Å²	31	40.1 Å²	40.1	14%	0.135	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-26.9	178.6	-64.7	-81.3	-179.6	164.9	0	112	R285 Q290 E567 N569 C676 D677	R285-K288 WeakPolarHBondContact O-CA 3.42Å; R285-K288 WeakPolarHBondContact O-CB 3.28Å; R285-K288 PolarHBondContact O-N 3.44Å; K288-Q290 PolarHBondContact O-N 3.43Å; K288-E567 WeakPolarHBondContact CE-O 3.34Å; K288-E567 PolarHBondContact NZ-O 3.41Å; K288-N569 VanDerWaalsContact O-CB 3.26Å; K288-N569 WeakPolarHBondContact O-CB 3.5Å; K288-N569 PolarHBondContact O-OD1 2.87Å; K288-C676 HydrophobicContact CG-CB 4.37Å; K288-D677 IonicContact NZ-OD1 3.72Å; K288-D677 PolarHBondContact NZ-OD1 3.25Å; K288-D677 IonicContact NZ-OD2 3.84Å
289	F	92.1	Very high	91.9	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.009	23%	0.226	C	C	.	.			trans	-70.5	96.4	176.1	-64.2	-47.4	0	0	0	111.1	R285 H298 F303 M317 L320 V570 F571	R285-F289 HydrophobicContact CB-CD2 4.12Å; R285-F289 HydrophobicContact CB-CE1 4.15Å; R285-F289 HydrophobicContact CB-CE2 3.48Å; R285-F289 VanDerWaalsContact CB-CE2 3.48Å; R285-F289 HydrophobicContact CB-CZ 3.5Å; R285-F289 VanDerWaalsContact CB-CZ 3.5Å; R285-F289 HydrophobicContact CG-CZ 4.37Å; R285-F289 WeakPolarHBondContact O-CD2 3.19Å; R285-F289 PolarHBondContact O-N 3.07Å; F289-H298 PolarHBondContact O-CE1 2.84Å; F289-H298 VanDerWaalsContact O-CE1 3.25Å; F289-F303 HydrophobicContact CB-CE2 4.12Å; F289-F303 AromaticContact CD2-CD2 3.76Å; F289-F303 HydrophobicContact CD2-CD2 3.76Å; F289-F303 AromaticContact CD2-CE2 3.83Å; F289-F303 HydrophobicContact CD2-CE2 3.83Å; F289-F303 HydrophobicContact CE2-CD2 4.38Å; F289-F303 HydrophobicContact CG-CE2 4.46Å; F289-M317 HydrophobicContact CZ-CE 4.1Å; F289-M317 HydrophobicContact CZ-SD 4.39Å; F289-L320 HydrophobicContact CD1-CD2 4.46Å; F289-L320 HydrophobicContact CD2-CD2 3.92Å; F289-L320 HydrophobicContact CE2-CD2 4.05Å; F289-L320 HydrophobicContact CG-CD2 4.15Å; F289-L320 HydrophobicContact CZ-CD2 4.39Å; F289-V570 HydrophobicContact CD1-CG2 3.87Å; F289-V570 HydrophobicContact CE1-CG2 3.77Å; F289-F571 HydrophobicContact CB-CE2 4.17Å; F289-F571 HydrophobicContact CD1-CE2 4.15Å
290	Q	91.7	Very high	91.8	Very high	108 Å²	108	41.8 Å²	41.8	51%	0.505	22%	0.219	S	C	.	.			trans	-132	135.8	179.5	-62.7	-179.7	7.6	0	0	110	Y287 K288 N569 F571	Y287-Q290 PolarHBondContact O-NE2 3.44Å; K288-Q290 PolarHBondContact O-N 3.43Å; Q290-N569 PolarHBondContact O-ND2 3.26Å; Q290-N569 PolarHBondContact O-OD1 3.17Å; Q290-F571 WeakPolarHBondContact O-CD2 3.29Å
291	T	93	Very high	91.8	Very high	12 Å²	12	42.1 Å²	42.1	7%	0.074	22%	0.224	C	C	.	.			trans	-141.7	133.8	175.7	178.2	0	0	0	0	111.1	L293 I294 L297 G324	T291-L293 PolarHBondContact O-N 3.21Å; T291-L293 VanDerWaalsContact O-N 3.11Å; T291-L293 PolarHBondContact OG1-N 2.66Å; T291-I294 HydrophobicContact CG2-CB 3.88Å; T291-I294 HydrophobicContact CG2-CG1 4.15Å; T291-I294 CarbonylContact O-C 3.43Å; T291-I294 PolarHBondContact O-N 3.45Å; T291-I294 VanDerWaalsContact O-N 3.14Å; T291-L297 HydrophobicContact CG2-CD2 3.95Å; T291-G324 WeakPolarHBondContact CB-O 3.49Å; T291-G324 PolarHBondContact OG1-O 2.88Å
292	P	91.5	Very high	91.7	Very high	124 Å²	124	44.6 Å²	44.6	81%	0.805	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-13.3	175.3	28.8	-35.7	0	0	0	112.6	I294	P292-I294 VanDerWaalsContact C-N 3.35Å
293	L	93.1	Very high	91.6	Very high	80 Å²	80	44.6 Å²	44.6	42%	0.419	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-20	176.8	-56.4	180	0	0	0	113.3	T291	T291-L293 PolarHBondContact O-N 3.21Å; T291-L293 VanDerWaalsContact O-N 3.11Å; T291-L293 PolarHBondContact OG1-N 2.66Å
294	I	93.3	Very high	91.6	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	23%	0.229	C	C	.	.			trans	-141.8	82.1	179.2	-50.3	-178.1	0	0	0	108.4	R186 I190 T291 P292 D296 L297 A323	R186-I294 HydrophobicContact CB-CD1 3.93Å; R186-I294 HydrophobicContact CB-CG1 4.12Å; R186-I294 HydrophobicContact CG-CD1 3.99Å; R186-I294 HydrophobicContact CG-CG1 4.25Å; I190-I294 HydrophobicContact CD1-CG2 3.75Å; I190-I294 HydrophobicContact CG1-CG2 3.75Å; T291-I294 HydrophobicContact CG2-CB 3.88Å; T291-I294 HydrophobicContact CG2-CG1 4.15Å; T291-I294 CarbonylContact O-C 3.43Å; T291-I294 PolarHBondContact O-N 3.45Å; T291-I294 VanDerWaalsContact O-N 3.14Å; P292-I294 VanDerWaalsContact C-N 3.35Å; I294-D296 PolarHBondContact O-N 2.8Å; I294-L297 HydrophobicContact CB-CB 4.18Å; I294-L297 HydrophobicContact CD1-CD1 4.42Å; I294-L297 HydrophobicContact CG2-CB 3.92Å; I294-L297 HydrophobicContact CG2-CD1 4.27Å; I294-L297 VanDerWaalsContact O-CB 3.3Å; I294-L297 WeakPolarHBondContact O-CB 3.38Å; I294-L297 PolarHBondContact O-N 2.89Å; I294-L297 VanDerWaalsContact O-N 3.14Å; I294-A323 HydrophobicContact CD1-CB 3.89Å
295	P	90.9	Very high	91.2	Very high	114 Å²	114	43.7 Å²	43.7	74%	0.74	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-25.8	-177	-24.8	35.8	0	0	0	114.3
296	D	92.8	Very high	90.8	Very high	39 Å²	39	47.9 Å²	47.9	21%	0.209	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	21.2	178.5	59.1	-27.4	0	0	0	113.2	R187 R194 I294 H298 D299	R187-D296 IonicContact CZ-OD1 4Å; R187-D296 IonicContact CZ-OD2 3.64Å; R187-D296 IonicContact NH1-OD1 2.69Å; R187-D296 PolarHBondContact NH1-OD1 3.16Å; R187-D296 IonicContact NH1-OD2 2.68Å; R187-D296 PolarHBondContact NH1-OD2 2.84Å; R187-D296 IonicContact NH2-OD1 3.79Å; R187-D296 IonicContact NH2-OD2 3.17Å; R187-D296 PolarHBondContact NH2-OD2 2.54Å; R194-D296 IonicContact CZ-OD2 2.67Å; R194-D296 IonicContact NH2-OD2 3.6Å; R194-D296 PolarHBondContact NH2-OD2 3.24Å; I294-D296 PolarHBondContact O-N 2.8Å; D296-H298 VanDerWaalsContact C-N 3.27Å; D296-H298 PolarHBondContact O-N 2.96Å; D296-D299 WeakPolarHBondContact O-CB 3.38Å; D296-D299 PolarHBondContact O-N 2.91Å
297	L	93.5	Very high	90.2	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.016	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-55	-37.8	-174.7	-179.1	60.1	0	0	0	113.5	F189 T291 I294 D299 A300 F303 L320 F571	F189-L297 HydrophobicContact CE1-CD1 3.98Å; T291-L297 HydrophobicContact CG2-CD2 3.95Å; I294-L297 HydrophobicContact CB-CB 4.18Å; I294-L297 HydrophobicContact CD1-CD1 4.42Å; I294-L297 HydrophobicContact CG2-CB 3.92Å; I294-L297 HydrophobicContact CG2-CD1 4.27Å; I294-L297 VanDerWaalsContact O-CB 3.3Å; I294-L297 WeakPolarHBondContact O-CB 3.38Å; I294-L297 PolarHBondContact O-N 2.89Å; I294-L297 VanDerWaalsContact O-N 3.14Å; L297-D299 PolarHBondContact O-N 3.1Å; L297-A300 WeakPolarHBondContact O-CB 3.25Å; L297-A300 PolarHBondContact O-N 3.49Å; L297-F303 HydrophobicContact CD1-CE1 3.82Å; L297-F303 HydrophobicContact CD1-CZ 4.39Å; L297-F303 HydrophobicContact CD2-CZ 4.49Å; L297-F303 HydrophobicContact CG-CE1 3.84Å; L297-F303 HydrophobicContact CG-CZ 3.9Å; L297-F303 WeakPolarHBondContact O-CE1 3.13Å; L297-L320 HydrophobicContact CD1-CD1 3.83Å; L297-L320 HydrophobicContact CD2-CD1 4.18Å; L297-L320 HydrophobicContact CG-CD1 4.43Å; L297-F571 HydrophobicContact CD2-CE2 4.44Å
298	H	90.9	Very high	89.5	Confident	80 Å²	80	51 Å²	51	37%	0.37	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-64.6	-19.7	-179	-61.5	-61	0	0	0	113.8	T286 F289 D296 A300 A301	T286-H298 PolarHBondContact O-CE1 3.07Å; T286-H298 PolarHBondContact O-ND1 2.85Å; F289-H298 PolarHBondContact O-CE1 2.84Å; F289-H298 VanDerWaalsContact O-CE1 3.25Å; D296-H298 VanDerWaalsContact C-N 3.27Å; D296-H298 PolarHBondContact O-N 2.96Å; H298-A300 PolarHBondContact O-N 2.9Å; H298-A301 WeakPolarHBondContact O-CB 3.45Å; H298-A301 PolarHBondContact O-N 2.95Å
299	D	90.1	Very high	89.1	Confident	73 Å²	73	49.7 Å²	49.7	39%	0.39	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-60.6	-29.3	172.1	-74.8	2.7	0	0	0	112.1	R194 K197 D296 L297 A301	R194-D299 IonicContact CZ-OD2 3.33Å; R194-D299 IonicContact NE-OD2 3.62Å; R194-D299 PolarHBondContact NE-OD2 3.16Å; R194-D299 IonicContact NH2-OD2 3.93Å; R194-D299 PolarHBondContact NH2-OD2 3.17Å; K197-D299 PolarHBondContact NZ-O 3.35Å; D296-D299 WeakPolarHBondContact O-CB 3.38Å; D296-D299 PolarHBondContact O-N 2.91Å; L297-D299 PolarHBondContact O-N 3.1Å; D299-A301 VanDerWaalsContact C-N 3.33Å
300	A	89.6	Confident	88.9	Confident	1 Å²	1	50 Å²	50	1%	0.008	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-82.6	-5.4	-178.4	0	0	0	0	0	114.3	F189 I190 R193 L297 H298 P302 F303	F189-A300 HydrophobicContact CE1-CB 4.11Å; F189-A300 HydrophobicContact CZ-CB 4.41Å; I190-A300 HydrophobicContact CD1-CB 3.69Å; R193-A300 HydrophobicContact CB-CB 3.7Å; R193-A300 HydrophobicContact CG-CB 3.84Å; R193-A300 PolarHBondContact NE-O 3.42Å; L297-A300 WeakPolarHBondContact O-CB 3.25Å; L297-A300 PolarHBondContact O-N 3.49Å; H298-A300 PolarHBondContact O-N 2.9Å; A300-P302 VanDerWaalsContact O-O 3.11Å; A300-F303 HydrophobicContact CB-CE1 4.22Å
301	A	90	Very high	88.8	Confident	18 Å²	18	44.9 Å²	44.9	15%	0.149	27%	0.267	C	S	.	.			trans	-68.6	148.5	175.9	0	0	0	0	0	111.8	K197 T286 H298 D299 F303	K197-A301 WeakPolarHBondContact CE-O 3.35Å; K197-A301 PolarHBondContact NZ-O 3.21Å; T286-A301 HydrophobicContact CG2-CB 3.81Å; H298-A301 WeakPolarHBondContact O-CB 3.45Å; H298-A301 PolarHBondContact O-N 2.95Å; D299-A301 VanDerWaalsContact C-N 3.33Å; A301-F303 HydrophobicContact CB-CE1 4.27Å; A301-F303 HydrophobicContact CB-CE2 4.3Å; A301-F303 HydrophobicContact CB-CZ 4.12Å
302	P	90.8	Very high	88.7	Confident	66 Å²	66	44.7 Å²	44.7	43%	0.429	27%	0.266	S	S	.	.	S	Bend	cis	-65.9	142.2	-2.1	29.1	-35.7	0	0	0	111.3	R193 A300	R193-P302 PolarHBondContact NH2-O 2.7Å; A300-P302 VanDerWaalsContact O-O 3.11Å
303	F	90.8	Very high	88.7	Confident	7 Å²	7	38.8 Å²	38.8	3%	0.031	23%	0.228	C	C	.	.			trans	-80.6	-30.9	-173.4	-62.3	-59	0	0	0	113.8	T286 F289 L297 A300 A301 N316 L320	T286-F303 HydrophobicContact CG2-CD2 4.36Å; T286-F303 HydrophobicContact CG2-CE2 3.83Å; F289-F303 HydrophobicContact CB-CE2 4.12Å; F289-F303 AromaticContact CD2-CD2 3.76Å; F289-F303 HydrophobicContact CD2-CD2 3.76Å; F289-F303 AromaticContact CD2-CE2 3.83Å; F289-F303 HydrophobicContact CD2-CE2 3.83Å; F289-F303 HydrophobicContact CE2-CD2 4.38Å; F289-F303 HydrophobicContact CG-CE2 4.46Å; L297-F303 HydrophobicContact CD1-CE1 3.82Å; L297-F303 HydrophobicContact CD1-CZ 4.39Å; L297-F303 HydrophobicContact CD2-CZ 4.49Å; L297-F303 HydrophobicContact CG-CE1 3.84Å; L297-F303 HydrophobicContact CG-CZ 3.9Å; L297-F303 WeakPolarHBondContact O-CE1 3.13Å; A300-F303 HydrophobicContact CB-CE1 4.22Å; A301-F303 HydrophobicContact CB-CE1 4.27Å; A301-F303 HydrophobicContact CB-CE2 4.3Å; A301-F303 HydrophobicContact CB-CZ 4.12Å; F303-N316 WeakPolarHBondContact O-CB 3.32Å; F303-L320 HydrophobicContact CB-CD2 3.85Å; F303-L320 HydrophobicContact CD1-CD1 3.74Å; F303-L320 HydrophobicContact CD1-CD2 4.41Å; F303-L320 HydrophobicContact CD2-CD2 4.05Å; F303-L320 HydrophobicContact CE1-CD1 4.02Å; F303-L320 HydrophobicContact CG-CD1 4.05Å; F303-L320 HydrophobicContact CG-CD2 3.86Å
304	V	90.9	Very high	88.8	Confident	8 Å²	8	35 Å²	35	5%	0.048	21%	0.208	C	C	.	.	S	Bend	trans	-118.7	140.3	-176.9	175	0	0	0	0	107.8	R279 A282 E306 S313 M317 W364	R279-V304 HydrophobicContact CG-CG1 4.4Å; A282-V304 HydrophobicContact CB-CB 4.29Å; A282-V304 HydrophobicContact CB-CG2 4.01Å; V304-E306 PolarHBondContact O-N 3.12Å; V304-S313 VanDerWaalsContact CG1-CB 3.46Å; V304-M317 HydrophobicContact CG2-CB 3.94Å; V304-M317 HydrophobicContact CG2-CE 4.29Å; V304-M317 HydrophobicContact CG2-SD 4.28Å; V304-W364 HydrophobicContact CG1-CH2 4.16Å
305	N	84.9	Confident	88.9	Confident	53 Å²	53	34.9 Å²	34.9	28%	0.283	21%	0.207	S	C	.	.			trans	-58.5	126.6	172.7	-66.5	-15.7	0	0	0	110.6	R279 T307 S312 S313 N316	R279-N305 PolarHBondContact NE-O 2.89Å; N305-T307 VanDerWaalsContact C-N 3.32Å; N305-S312 PolarHBondContact ND2-OG 3Å; N305-S312 VanDerWaalsContact ND2-OG 3.12Å; N305-S313 PolarHBondContact O-OG 2.96Å; N305-N316 PolarHBondContact N-OD1 3.43Å; N305-N316 PolarHBondContact ND2-OD1 2.83Å; N305-N316 PolarHBondContact OD1-OD1 2.86Å
306	E	83.3	Confident	89	Confident	98 Å²	98	29.5 Å²	29.5	46%	0.458	17%	0.172	S	C	.	.	S	Bend	trans	-79.1	-14.7	177	-66.3	-167.2	114.3	0	0	112.9	R279 R283 V304	R279-E306 WeakPolarHBondContact CD-O 3.38Å; R283-E306 WeakPolarHBondContact CD-OE1 3.3Å; R283-E306 IonicContact CZ-OE1 2.71Å; R283-E306 IonicContact NH1-OE1 3.24Å; R283-E306 PolarHBondContact NH1-OE1 2.83Å; V304-E306 PolarHBondContact O-N 3.12Å
307	T	79.1	Confident	89.2	Confident	113 Å²	113	27.7 Å²	27.7	69%	0.693	16%	0.162	S	C	*	.	S	Bend	trans	-137.5	168.4	-179.7	59.5	0	0	0	0	111.9	N305	N305-T307 VanDerWaalsContact C-N 3.32Å
308	G	75.9	Confident	89.2	Confident	38 Å²	38	27.5 Å²	27.5	39%	0.392	16%	0.162	S	C	.	.	S	Bend	trans	79.5	-157.1	-178.9	0	0	0	0	0	113.7	R279 D310	R279-G308 PolarHBondContact NH1-O 3.38Å; R279-G308 PolarHBondContact NH2-O 3.21Å; G308-D310 PolarHBondContact O-N 2.81Å
309	S	83	Confident	89.4	Confident	5 Å²	5	24.1 Å²	24.1	4%	0.035	15%	0.146	C	C	.	.			trans	-54.6	131.5	-175.3	170.5	0	0	0	0	113.9	R279 S311 S312 S313	R279-S309 PolarHBondContact NH2-O 2.78Å; S309-S311 VanDerWaalsContact C-N 3.33Å; S309-S311 WeakPolarHBondContact OG-CB 3.47Å; S309-S311 PolarHBondContact OG-N 3.36Å; S309-S312 PolarHBondContact O-N 2.75Å; S309-S312 PolarHBondContact OG-N 3.01Å; S309-S313 PolarHBondContact O-N 2.75Å
310	D	86.8	Confident	89.7	Confident	8 Å²	8	20.7 Å²	20.7	4%	0.043	13%	0.128	C	C	.	.	H	α-helix	trans	-56.2	-43.2	170.2	69	-36.6	0	0	0	113	H268 E271 I272 I275 G308 S312 S313 M314	H268-D310 IonicContact CE1-OD2 3.68Å; E271-D310 WeakPolarHBondContact CA-OD2 3.46Å; I272-D310 HydrophobicContact CB-CB 4.18Å; I272-D310 HydrophobicContact CG1-CB 4.46Å; I272-D310 PolarHBondContact N-OD2 3.49Å; I275-D310 HydrophobicContact CB-CB 4.25Å; I275-D310 HydrophobicContact CD1-CB 4.32Å; I275-D310 HydrophobicContact CG1-CB 4.01Å; G308-D310 PolarHBondContact O-N 2.81Å; D310-S312 VanDerWaalsContact C-N 3.34Å; D310-S312 PolarHBondContact O-N 2.82Å; D310-S313 WeakPolarHBondContact O-CA 3.25Å; D310-S313 VanDerWaalsContact O-CB 3.3Å; D310-S313 WeakPolarHBondContact O-CB 3.42Å; D310-S313 PolarHBondContact O-N 2.63Å; D310-M314 PolarHBondContact O-N 2.7Å
311	S	89.5	Confident	89.9	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.7	-38.1	-177	-57.2	0	0	0	0	110.3	H268 S309 M314 D315	H268-S311 PolarHBondContact ND1-OG 2.82Å; S309-S311 VanDerWaalsContact C-N 3.33Å; S309-S311 WeakPolarHBondContact OG-CB 3.47Å; S309-S311 PolarHBondContact OG-N 3.36Å; S311-M314 PolarHBondContact O-N 3.28Å; S311-D315 PolarHBondContact O-N 3.02Å
312	S	91	Very high	90.1	Very high	8 Å²	8	21.1 Å²	21.1	6%	0.056	13%	0.127	C	C	.	.	H	α-helix	trans	-66.2	-38.2	170.2	-177.6	0	0	0	0	111.9	N305 S309 D310 N316	N305-S312 PolarHBondContact ND2-OG 3Å; N305-S312 VanDerWaalsContact ND2-OG 3.12Å; S309-S312 PolarHBondContact O-N 2.75Å; S309-S312 PolarHBondContact OG-N 3.01Å; D310-S312 VanDerWaalsContact C-N 3.34Å; D310-S312 PolarHBondContact O-N 2.82Å; S312-N316 PolarHBondContact O-N 2.89Å; S312-N316 PolarHBondContact O-ND2 3.48Å; S312-N316 VanDerWaalsContact O-ND2 3.07Å; S312-N316 PolarHBondContact O-OD1 3.45Å
313	S	93.4	Very high	90.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.5	-40	176	-70.7	0	0	0	0	111.6	R279 V304 N305 S309 D310 N316 M317	R279-S313 PolarHBondContact NE-OG 3.02Å; R279-S313 VanDerWaalsContact NE-OG 3.07Å; R279-S313 PolarHBondContact NH2-OG 3.47Å; V304-S313 VanDerWaalsContact CG1-CB 3.46Å; N305-S313 PolarHBondContact O-OG 2.96Å; S309-S313 PolarHBondContact O-N 2.75Å; D310-S313 WeakPolarHBondContact O-CA 3.25Å; D310-S313 VanDerWaalsContact O-CB 3.3Å; D310-S313 WeakPolarHBondContact O-CB 3.42Å; D310-S313 PolarHBondContact O-N 2.63Å; S313-N316 PolarHBondContact O-N 2.89Å; S313-M317 PolarHBondContact O-N 3Å; S313-M317 VanDerWaalsContact O-N 3.08Å
314	M	94.1	Very high	90.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.3	-45.3	175	-178.3	171.1	58.9	0	0	111.8	L266 H268 I272 D310 S311 N316 M317 L318 V336 W364 I370	L266-M314 HydrophobicContact CD1-CE 4.19Å; L266-M314 HydrophobicContact CD2-CE 4.06Å; L266-M314 HydrophobicContact CD2-CG 4.14Å; H268-M314 HydrophobicContact CB-CE 4.06Å; I272-M314 HydrophobicContact CD1-CE 4.33Å; I272-M314 HydrophobicContact CD1-SD 4.1Å; I272-M314 HydrophobicContact CG1-SD 4.49Å; D310-M314 PolarHBondContact O-N 2.7Å; S311-M314 PolarHBondContact O-N 3.28Å; M314-N316 VanDerWaalsContact C-N 3.28Å; M314-N316 PolarHBondContact O-N 2.93Å; M314-M317 PolarHBondContact O-N 3.24Å; M314-M317 VanDerWaalsContact O-N 3.17Å; M314-L318 PolarHBondContact O-N 3.46Å; M314-V336 HydrophobicContact SD-CG2 4.43Å; M314-W364 HydrophobicContact CB-CE3 3.9Å; M314-W364 HydrophobicContact CB-CZ3 3.89Å; M314-W364 HydrophobicContact CG-CE3 4.3Å; M314-I370 HydrophobicContact CE-CD1 3.62Å; M314-I370 HydrophobicContact CE-CG1 4.09Å; M314-I370 HydrophobicContact SD-CD1 3.76Å
315	D	94.7	Very high	90.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60	-37.4	175.5	-177.9	80.4	0	0	0	112.1	F263 R264 Y265 L266 S311 L318 E319	F263-D315 HydrophobicContact CB-CB 3.73Å; F263-D315 WeakPolarHBondContact CB-OD2 3.36Å; F263-D315 HydrophobicContact CG-CB 4.33Å; R264-D315 WeakPolarHBondContact CB-OD2 3.39Å; R264-D315 WeakPolarHBondContact CD-OD2 3.43Å; R264-D315 PolarHBondContact N-OD1 2.86Å; R264-D315 VanDerWaalsContact N-OD1 3.15Å; R264-D315 PolarHBondContact N-OD2 2.75Å; Y265-D315 PolarHBondContact N-OD1 2.99Å; L266-D315 HydrophobicContact CD1-CB 4.47Å; L266-D315 HydrophobicContact CD2-CB 3.94Å; L266-D315 HydrophobicContact CG-CB 3.92Å; L266-D315 PolarHBondContact N-OD1 2.98Å; S311-D315 PolarHBondContact O-N 3.02Å; D315-L318 PolarHBondContact O-N 3.21Å; D315-E319 VanDerWaalsContact O-CB 3.22Å; D315-E319 WeakPolarHBondContact O-CB 3.47Å; D315-E319 PolarHBondContact O-N 2.98Å
316	N	94.8	Very high	90.7	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.011	12%	0.117	C	C	.	.	H	α-helix	trans	-67.4	-38.7	175.4	-59.2	165.6	0	0	0	112.7	R264 F303 N305 S312 S313 M314 L320	R264-N316 PolarHBondContact NH1-ND2 3.49Å; F303-N316 WeakPolarHBondContact O-CB 3.32Å; N305-N316 PolarHBondContact N-OD1 3.43Å; N305-N316 PolarHBondContact ND2-OD1 2.83Å; N305-N316 PolarHBondContact OD1-OD1 2.86Å; S312-N316 PolarHBondContact O-N 2.89Å; S312-N316 PolarHBondContact O-ND2 3.48Å; S312-N316 VanDerWaalsContact O-ND2 3.07Å; S312-N316 PolarHBondContact O-OD1 3.45Å; S313-N316 PolarHBondContact O-N 2.89Å; M314-N316 VanDerWaalsContact C-N 3.28Å; M314-N316 PolarHBondContact O-N 2.93Å; N316-L320 PolarHBondContact O-N 3.36Å
317	M	95.3	Very high	91.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-68.4	-44.5	175.3	-173.9	62.6	103.8	0	0	111	A282 F289 V304 S313 M314 E319 L320 L321 L335 M361 W364	A282-M317 HydrophobicContact CB-CE 3.65Å; F289-M317 HydrophobicContact CZ-CE 4.1Å; F289-M317 HydrophobicContact CZ-SD 4.39Å; V304-M317 HydrophobicContact CG2-CB 3.94Å; V304-M317 HydrophobicContact CG2-CE 4.29Å; V304-M317 HydrophobicContact CG2-SD 4.28Å; S313-M317 PolarHBondContact O-N 3Å; S313-M317 VanDerWaalsContact O-N 3.08Å; M314-M317 PolarHBondContact O-N 3.24Å; M314-M317 VanDerWaalsContact O-N 3.17Å; M317-E319 VanDerWaalsContact C-N 3.32Å; M317-E319 PolarHBondContact O-N 3.4Å; M317-L320 WeakPolarHBondContact O-CB 3.33Å; M317-L320 PolarHBondContact O-N 3.27Å; M317-L320 HydrophobicContact SD-CD2 3.97Å; M317-L321 WeakPolarHBondContact O-CG 3.4Å; M317-L321 PolarHBondContact O-N 3.3Å; M317-L335 HydrophobicContact CB-CD2 4.43Å; M317-L335 HydrophobicContact CG-CD1 4.32Å; M317-L335 HydrophobicContact CG-CD2 3.56Å; M317-M361 HydrophobicContact CE-CE 4.1Å; M317-M361 HydrophobicContact CE-SD 4.3Å; M317-M361 HydrophobicContact SD-CE 4.45Å; M317-W364 HydrophobicContact CB-CH2 4.13Å; M317-W364 HydrophobicContact CB-CZ2 3.95Å; M317-W364 HydrophobicContact CE-CZ2 4.1Å; M317-W364 HydrophobicContact CG-CZ2 4.04Å
318	L	95.1	Very high	91.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-56.9	-46.7	174	177.1	59.8	0	0	0	111.2	L266 M314 D315 L320 L321 L322 A331 M332 L335	L266-L318 HydrophobicContact CD2-CD2 3.98Å; M314-L318 PolarHBondContact O-N 3.46Å; D315-L318 PolarHBondContact O-N 3.21Å; L318-L320 PolarHBondContact O-N 3.21Å; L318-L321 PolarHBondContact O-N 2.75Å; L318-L322 HydrophobicContact CD1-CD1 4.18Å; L318-L322 HydrophobicContact CD1-CG 4.18Å; L318-L322 HydrophobicContact CG-CD1 4.06Å; L318-L322 HydrophobicContact CG-CG 4.46Å; L318-L322 WeakPolarHBondContact O-CG 3.18Å; L318-L322 PolarHBondContact O-N 3.46Å; L318-A331 HydrophobicContact CD1-CB 3.66Å; L318-M332 HydrophobicContact CD1-SD 4.04Å; L318-M332 HydrophobicContact CD2-SD 4.15Å; L318-L335 HydrophobicContact CB-CD1 4.23Å
319	E	94.7	Very high	92.5	Very high	9 Å²	9	8.4 Å²	8.4	4%	0.042	6%	0.056	C	C	.	.	H	α-helix	trans	-60.6	-42	176.9	177.8	170.8	-134.5	0	0	112.8	F189 R192 R264 Y265 D315 M317 L321 L322 A323	F189-E319 HydrophobicContact CD2-CG 3.61Å; F189-E319 HydrophobicContact CE2-CG 3.8Å; R192-E319 IonicContact CZ-OE1 3.51Å; R192-E319 IonicContact CZ-OE2 3.82Å; R192-E319 VanDerWaalsContact CZ-OE2 3.23Å; R192-E319 IonicContact NH1-OE1 3.48Å; R192-E319 PolarHBondContact NH1-OE1 2.88Å; R192-E319 IonicContact NH1-OE2 2.68Å; R192-E319 PolarHBondContact NH1-OE2 3.45Å; R192-E319 IonicContact NH2-OE1 3.33Å; R192-E319 IonicContact NH2-OE2 2.7Å; R192-E319 PolarHBondContact NH2-OE2 2.78Å; R264-E319 IonicContact NH1-OE2 3.78Å; Y265-E319 HydrophobicContact CD2-CB 4.04Å; Y265-E319 HydrophobicContact CD2-CG 4.35Å; Y265-E319 HydrophobicContact CE2-CB 3.94Å; Y265-E319 HydrophobicContact CE2-CG 3.76Å; D315-E319 VanDerWaalsContact O-CB 3.22Å; D315-E319 WeakPolarHBondContact O-CB 3.47Å; D315-E319 PolarHBondContact O-N 2.98Å; M317-E319 VanDerWaalsContact C-N 3.32Å; M317-E319 PolarHBondContact O-N 3.4Å; E319-L321 VanDerWaalsContact C-N 3.35Å; E319-L321 PolarHBondContact O-N 2.98Å; E319-L322 PolarHBondContact O-N 2.8Å; E319-A323 VanDerWaalsContact O-CB 3.22Å; E319-A323 WeakPolarHBondContact O-CB 3.39Å; E319-A323 PolarHBondContact O-N 3.12Å
320	L	95.2	Very high	93.1	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-57.9	-46.8	172.5	173.6	68	0	0	0	111.3	F189 F289 L297 F303 N316 M317 L318 A323 G324 F571	F189-L320 HydrophobicContact CZ-CD1 4.49Å; F289-L320 HydrophobicContact CD1-CD2 4.46Å; F289-L320 HydrophobicContact CD2-CD2 3.92Å; F289-L320 HydrophobicContact CE2-CD2 4.05Å; F289-L320 HydrophobicContact CG-CD2 4.15Å; F289-L320 HydrophobicContact CZ-CD2 4.39Å; L297-L320 HydrophobicContact CD1-CD1 3.83Å; L297-L320 HydrophobicContact CD2-CD1 4.18Å; L297-L320 HydrophobicContact CG-CD1 4.43Å; F303-L320 HydrophobicContact CB-CD2 3.85Å; F303-L320 HydrophobicContact CD1-CD1 3.74Å; F303-L320 HydrophobicContact CD1-CD2 4.41Å; F303-L320 HydrophobicContact CD2-CD2 4.05Å; F303-L320 HydrophobicContact CE1-CD1 4.02Å; F303-L320 HydrophobicContact CG-CD1 4.05Å; F303-L320 HydrophobicContact CG-CD2 3.86Å; N316-L320 PolarHBondContact O-N 3.36Å; M317-L320 WeakPolarHBondContact O-CB 3.33Å; M317-L320 PolarHBondContact O-N 3.27Å; M317-L320 HydrophobicContact SD-CD2 3.97Å; L318-L320 PolarHBondContact O-N 3.21Å; L320-A323 PolarHBondContact O-N 2.91Å; L320-G324 PolarHBondContact O-N 3.05Å; L320-F571 HydrophobicContact CG-CZ 4.35Å
321	L	95.1	Very high	93.4	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-64.7	-43.7	-178.3	-64.7	178.5	0	0	0	111.5	M317 L318 E319 G325 M326 A331 L335 V570 F571	M317-L321 WeakPolarHBondContact O-CG 3.4Å; M317-L321 PolarHBondContact O-N 3.3Å; L318-L321 PolarHBondContact O-N 2.75Å; E319-L321 VanDerWaalsContact C-N 3.35Å; E319-L321 PolarHBondContact O-N 2.98Å; L321-G325 PolarHBondContact O-N 3.07Å; L321-M326 HydrophobicContact CB-CB 4.46Å; L321-M326 HydrophobicContact CB-CG 4.45Å; L321-M326 HydrophobicContact CB-SD 4Å; L321-M326 HydrophobicContact CD1-SD 4.38Å; L321-M326 HydrophobicContact CD2-CE 3.83Å; L321-M326 HydrophobicContact CD2-SD 3.89Å; L321-M326 HydrophobicContact CG-SD 4.3Å; L321-M326 WeakPolarHBondContact O-CB 3.46Å; L321-M326 PolarHBondContact O-N 3Å; L321-A331 HydrophobicContact CB-CB 3.96Å; L321-A331 HydrophobicContact CD1-CB 4.05Å; L321-L335 HydrophobicContact CD1-CD1 4.05Å; L321-L335 HydrophobicContact CD1-CD2 4.19Å; L321-L335 HydrophobicContact CD1-CG 4Å; L321-V570 HydrophobicContact CD2-CG2 4.17Å; L321-F571 HydrophobicContact CD2-CE1 4.22Å; L321-F571 HydrophobicContact CD2-CZ 4.27Å
322	L	93.9	Very high	93.6	Very high	28 Å²	28	8.3 Å²	8.3	15%	0.147	6%	0.055	C	C	.	.	H	α-helix	trans	-64.3	-47.1	176	-68.3	175.8	0	0	0	112.1	Y265 L318 E319 G324 G325 I328	Y265-L322 HydrophobicContact CD1-CD1 3.79Å; Y265-L322 HydrophobicContact CD2-CD1 4.43Å; Y265-L322 HydrophobicContact CE1-CD1 3.99Å; Y265-L322 HydrophobicContact CG-CD1 4.02Å; L318-L322 HydrophobicContact CD1-CD1 4.18Å; L318-L322 HydrophobicContact CD1-CG 4.18Å; L318-L322 HydrophobicContact CG-CD1 4.06Å; L318-L322 HydrophobicContact CG-CG 4.46Å; L318-L322 WeakPolarHBondContact O-CG 3.18Å; L318-L322 PolarHBondContact O-N 3.46Å; E319-L322 PolarHBondContact O-N 2.8Å; L322-G324 VanDerWaalsContact C-N 3.35Å; L322-G324 PolarHBondContact O-N 2.99Å; L322-G325 PolarHBondContact O-N 3Å; L322-I328 HydrophobicContact CD2-CB 4.07Å
323	A	93.2	Very high	93.8	Very high	10 Å²	10	8.1 Å²	8.1	8%	0.083	5%	0.053	C	C	.	.	H	α-helix	trans	-62.3	-43	178.4	0	0	0	0	0	111.4	R186 F189 I294 E319 L320 G325	R186-A323 WeakPolarHBondContact CD-O 3.46Å; R186-A323 WeakPolarHBondContact CG-O 3.45Å; R186-A323 PolarHBondContact NE-O 2.93Å; R186-A323 VanDerWaalsContact NE-O 3.14Å; F189-A323 HydrophobicContact CD1-CB 3.99Å; F189-A323 HydrophobicContact CE1-CB 4.39Å; F189-A323 HydrophobicContact CG-CB 4.18Å; I294-A323 HydrophobicContact CD1-CB 3.89Å; E319-A323 VanDerWaalsContact O-CB 3.22Å; E319-A323 WeakPolarHBondContact O-CB 3.39Å; E319-A323 PolarHBondContact O-N 3.12Å; L320-A323 PolarHBondContact O-N 2.91Å; A323-G325 PolarHBondContact O-N 2.7Å
324	G	92.4	Very high	93.8	Very high	2 Å²	2	8.4 Å²	8.4	2%	0.021	5%	0.054	C	C	.	.	H	α-helix	trans	-69	-12.6	178.3	0	0	0	0	0	115.1	T291 L320 L322 F571	T291-G324 WeakPolarHBondContact CB-O 3.49Å; T291-G324 PolarHBondContact OG1-O 2.88Å; L320-G324 PolarHBondContact O-N 3.05Å; L322-G324 VanDerWaalsContact C-N 3.35Å; L322-G324 PolarHBondContact O-N 2.99Å; G324-F571 VanDerWaalsContact CA-CE1 3.49Å
325	G	91	Very high	93.8	Very high	41 Å²	41	8.4 Å²	8.4	42%	0.423	5%	0.054	S	C	.	.	T	Hydrogen-bonded Turn	trans	127.2	-1.8	165.8	0	0	0	0	0	116.3	L321 L322 A323	L321-G325 PolarHBondContact O-N 3.07Å; L322-G325 PolarHBondContact O-N 3Å; A323-G325 PolarHBondContact O-N 2.7Å
326	M	92.6	Very high	93.8	Very high	13 Å²	13	8.7 Å²	8.7	6%	0.064	6%	0.056	C	C	.	.			trans	-70.4	154.8	176.1	-58.6	-168.5	-175.1	0	0	111.4	L321 A331 L334 V570 F571	L321-M326 HydrophobicContact CB-CB 4.46Å; L321-M326 HydrophobicContact CB-CG 4.45Å; L321-M326 HydrophobicContact CB-SD 4Å; L321-M326 HydrophobicContact CD1-SD 4.38Å; L321-M326 HydrophobicContact CD2-CE 3.83Å; L321-M326 HydrophobicContact CD2-SD 3.89Å; L321-M326 HydrophobicContact CG-SD 4.3Å; L321-M326 WeakPolarHBondContact O-CB 3.46Å; L321-M326 PolarHBondContact O-N 3Å; M326-A331 HydrophobicContact CB-CB 4.42Å; M326-L334 HydrophobicContact CE-CD2 4.14Å; M326-L334 HydrophobicContact SD-CD2 4.23Å; M326-V570 HydrophobicContact CE-CB 3.87Å; M326-V570 HydrophobicContact CE-CG2 3.82Å; M326-V570 WeakPolarHBondContact CE-O 3.49Å; M326-F571 HydrophobicContact CE-CD1 3.85Å; M326-F571 HydrophobicContact CE-CE1 4.11Å; M326-F571 HydrophobicContact CG-CD1 4.23Å; M326-F571 HydrophobicContact CG-CE1 4.32Å
327	D	91.3	Very high	93.8	Very high	31 Å²	31	9 Å²	9	17%	0.166	6%	0.059	C	C	.	.			trans	-83.5	162.5	162.2	66.7	78.6	0	0	0	111.1	I329 R330 A331 R450	D327-I329 PolarHBondContact O-N 3.43Å; D327-I329 WeakPolarHBondContact OD1-CA 3.43Å; D327-I329 VanDerWaalsContact OD1-CB 3.25Å; D327-I329 WeakPolarHBondContact OD1-CB 3.26Å; D327-I329 PolarHBondContact OD1-N 2.99Å; D327-R330 PolarHBondContact O-N 3.46Å; D327-R330 PolarHBondContact OD1-N 2.75Å; D327-A331 WeakPolarHBondContact O-CB 3.42Å; D327-A331 PolarHBondContact O-N 2.86Å; D327-R450 IonicContact OD1-NH2 3.75Å; D327-R450 IonicContact OD2-CZ 2.74Å; D327-R450 IonicContact OD2-NH1 2.84Å; D327-R450 PolarHBondContact OD2-NH1 2.88Å; D327-R450 IonicContact OD2-NH2 3.63Å; D327-R450 PolarHBondContact OD2-NH2 3.22Å
328	I	92.1	Very high	93.7	Very high	4 Å²	4	9.7 Å²	9.7	2%	0.021	6%	0.063	C	C	.	.	H	α-helix	trans	-64.6	-27.8	-175.4	-161	167.4	0	0	0	113.1	L322 M332 M372 F377	L322-I328 HydrophobicContact CD2-CB 4.07Å; I328-M332 WeakPolarHBondContact O-CG 3.35Å; I328-M332 PolarHBondContact O-N 3.4Å; I328-M332 VanDerWaalsContact O-N 3.12Å; I328-M372 HydrophobicContact CD1-CB 4.23Å; I328-M372 HydrophobicContact CD1-CG 3.7Å; I328-M372 HydrophobicContact CD1-SD 3.83Å; I328-M372 HydrophobicContact CG1-CG 4.36Å; I328-M372 HydrophobicContact CG1-SD 3.81Å; I328-F377 HydrophobicContact CG2-CB 4.21Å; I328-F377 HydrophobicContact CG2-CD2 4.21Å; I328-F377 HydrophobicContact CG2-CG 4.33Å
329	I	93.9	Very high	93.5	Very high	15 Å²	15	10.2 Å²	10.2	8%	0.077	7%	0.067	C	C	.	.	H	α-helix	trans	-72.7	-52.9	-179	-47.8	-176.7	0	0	0	108.9	D327 A331 M332 R333 L427 V429 T443 L447	D327-I329 PolarHBondContact O-N 3.43Å; D327-I329 WeakPolarHBondContact OD1-CA 3.43Å; D327-I329 VanDerWaalsContact OD1-CB 3.25Å; D327-I329 WeakPolarHBondContact OD1-CB 3.26Å; D327-I329 PolarHBondContact OD1-N 2.99Å; I329-A331 PolarHBondContact O-N 3.38Å; I329-M332 PolarHBondContact O-N 3.3Å; I329-R333 WeakPolarHBondContact O-CB 3.34Å; I329-R333 WeakPolarHBondContact O-CG 3.39Å; I329-R333 PolarHBondContact O-N 2.85Å; I329-L427 HydrophobicContact CB-CD2 4.45Å; I329-L427 HydrophobicContact CG2-CD2 3.68Å; I329-V429 HydrophobicContact CD1-CG1 4.48Å; I329-V429 HydrophobicContact CD1-CG2 4.34Å; I329-V429 HydrophobicContact CG1-CG2 4.23Å; I329-T443 HydrophobicContact CD1-CG2 4.04Å; I329-T443 HydrophobicContact CG2-CG2 4.1Å; I329-L447 HydrophobicContact CG2-CD1 3.99Å
330	R	94.1	Very high	93.4	Very high	11 Å²	11	11 Å²	11	4%	0.042	7%	0.07	C	C	.	.	H	α-helix	trans	-59.7	-46.1	175.5	-174.1	171.3	172.2	-127.7	-19.6	111.1	D327 M332 R333 L334 L447 V570 E573	D327-R330 PolarHBondContact O-N 3.46Å; D327-R330 PolarHBondContact OD1-N 2.75Å; R330-M332 PolarHBondContact O-N 2.68Å; R330-R333 PolarHBondContact O-N 3.25Å; R330-L334 HydrophobicContact CG-CD1 3.89Å; R330-L334 VanDerWaalsContact O-CD1 3.32Å; R330-L334 WeakPolarHBondContact O-CD1 3.38Å; R330-L334 PolarHBondContact O-N 3.05Å; R330-L447 HydrophobicContact CB-CD2 3.71Å; R330-L447 HydrophobicContact CG-CD2 4.14Å; R330-V570 PolarHBondContact NH2-O 2.96Å; R330-E573 IonicContact CZ-OE1 3.82Å; R330-E573 IonicContact CZ-OE2 3.23Å; R330-E573 IonicContact NE-OE1 2.91Å; R330-E573 PolarHBondContact NE-OE1 3.46Å; R330-E573 IonicContact NE-OE2 2.67Å; R330-E573 PolarHBondContact NE-OE2 3.15Å; R330-E573 IonicContact NH1-OE1 3.6Å; R330-E573 IonicContact NH1-OE2 3.84Å; R330-E573 PolarHBondContact NH1-OE2 3.31Å; R330-E573 IonicContact NH2-OE1 3.45Å; R330-E573 IonicContact NH2-OE2 3.6Å
331	A	94.5	Very high	93.1	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-58.3	-45.8	-178.6	0	0	0	0	0	112.3	L318 L321 M326 D327 I329 L334 L335	L318-A331 HydrophobicContact CD1-CB 3.66Å; L321-A331 HydrophobicContact CB-CB 3.96Å; L321-A331 HydrophobicContact CD1-CB 4.05Å; M326-A331 HydrophobicContact CB-CB 4.42Å; D327-A331 WeakPolarHBondContact O-CB 3.42Å; D327-A331 PolarHBondContact O-N 2.86Å; I329-A331 PolarHBondContact O-N 3.38Å; A331-L334 PolarHBondContact O-N 2.7Å; A331-L335 WeakPolarHBondContact O-CG 3.42Å; A331-L335 PolarHBondContact O-N 3.37Å; A331-L335 VanDerWaalsContact O-N 3.15Å
332	M	93.7	Very high	92.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-68.8	-39.3	176.4	-70.8	-51.9	-51.7	0	0	113.2	L318 I328 I329 R330 L334 L335 V336 I370 M372 N381	L318-M332 HydrophobicContact CD1-SD 4.04Å; L318-M332 HydrophobicContact CD2-SD 4.15Å; I328-M332 WeakPolarHBondContact O-CG 3.35Å; I328-M332 PolarHBondContact O-N 3.4Å; I328-M332 VanDerWaalsContact O-N 3.12Å; I329-M332 PolarHBondContact O-N 3.3Å; R330-M332 PolarHBondContact O-N 2.68Å; M332-L334 PolarHBondContact O-N 3.42Å; M332-L335 PolarHBondContact O-N 2.94Å; M332-V336 HydrophobicContact CE-CB 4.19Å; M332-V336 HydrophobicContact CE-CG2 3.79Å; M332-V336 CarbonylContact O-C 3.43Å; M332-V336 PolarHBondContact O-N 3.23Å; M332-I370 HydrophobicContact CE-CD1 3.72Å; M332-M372 HydrophobicContact CE-CE 3.88Å; M332-M372 HydrophobicContact CG-CE 3.65Å; M332-M372 HydrophobicContact CG-SD 3.38Å; M332-M372 WeakPolarHBondContact CG-SD 3.32Å; M332-M372 HydrophobicContact SD-CE 3.72Å; M332-M372 HydrophobicContact SD-SD 3.9Å; M332-N381 WeakPolarHBondContact CE-OD1 3.49Å
333	R	94	Very high	92	Very high	5 Å²	5	17.3 Å²	17.3	2%	0.019	10%	0.102	C	C	.	.	H	α-helix	trans	-63.7	-20.6	175	-74.2	-56.6	-160.6	-152.6	10.2	113.6	I329 R330 P337 F353 F354 G425 L427 D444 L447	I329-R333 WeakPolarHBondContact O-CB 3.34Å; I329-R333 WeakPolarHBondContact O-CG 3.39Å; I329-R333 PolarHBondContact O-N 2.85Å; R330-R333 PolarHBondContact O-N 3.25Å; R333-P337 WeakPolarHBondContact O-CB 3.37Å; R333-F353 HydrophobicContact CB-CE1 4.29Å; R333-F354 HydrophobicContact CB-CE1 4.29Å; R333-G425 PolarHBondContact NH1-O 3.37Å; R333-L427 HydrophobicContact CG-CD2 4.38Å; R333-D444 IonicContact CZ-OD1 3.17Å; R333-D444 VanDerWaalsContact CZ-OD1 3.26Å; R333-D444 IonicContact CZ-OD2 3.86Å; R333-D444 IonicContact NE-OD1 2.76Å; R333-D444 PolarHBondContact NE-OD1 2.81Å; R333-D444 VanDerWaalsContact NH2-CG 3.25Å; R333-D444 IonicContact NH2-OD1 2.72Å; R333-D444 PolarHBondContact NH2-OD1 3.5Å; R333-D444 IonicContact NH2-OD2 2.7Å; R333-D444 PolarHBondContact NH2-OD2 3.16Å; R333-L447 HydrophobicContact CB-CD1 4.04Å; R333-L447 HydrophobicContact CG-CD1 3.59Å
334	L	93.9	Very high	91.2	Very high	6 Å²	6	20.5 Å²	20.5	3%	0.031	12%	0.122	C	C	.	.	H	α-helix	trans	-83.6	-40.3	171.6	-94.8	65.4	0	0	0	112.9	M326 R330 A331 M332 F353 N357 M361	M326-L334 HydrophobicContact CE-CD2 4.14Å; M326-L334 HydrophobicContact SD-CD2 4.23Å; R330-L334 HydrophobicContact CG-CD1 3.89Å; R330-L334 VanDerWaalsContact O-CD1 3.32Å; R330-L334 WeakPolarHBondContact O-CD1 3.38Å; R330-L334 PolarHBondContact O-N 3.05Å; A331-L334 PolarHBondContact O-N 2.7Å; M332-L334 PolarHBondContact O-N 3.42Å; L334-F353 HydrophobicContact CD1-CZ 4.19Å; L334-N357 HydrophobicContact CD1-CB 4.2Å; L334-N357 HydrophobicContact CG-CB 4.22Å; L334-M361 WeakPolarHBondContact O-CG 3.31Å
335	L	94.5	Very high	90.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-79.7	-46.3	-177.4	-65	174.3	0	0	0	112.7	M317 L318 L321 A331 M332 P337 M361 W364	M317-L335 HydrophobicContact CB-CD2 4.43Å; M317-L335 HydrophobicContact CG-CD1 4.32Å; M317-L335 HydrophobicContact CG-CD2 3.56Å; L318-L335 HydrophobicContact CB-CD1 4.23Å; L321-L335 HydrophobicContact CD1-CD1 4.05Å; L321-L335 HydrophobicContact CD1-CD2 4.19Å; L321-L335 HydrophobicContact CD1-CG 4Å; A331-L335 WeakPolarHBondContact O-CG 3.42Å; A331-L335 PolarHBondContact O-N 3.37Å; A331-L335 VanDerWaalsContact O-N 3.15Å; M332-L335 PolarHBondContact O-N 2.94Å; L335-P337 WeakPolarHBondContact O-CD 3.29Å; L335-M361 HydrophobicContact CD2-CE 4.37Å; L335-M361 HydrophobicContact CD2-CG 4.29Å; L335-M361 HydrophobicContact CD2-SD 4.08Å; L335-W364 HydrophobicContact CD2-CG 4.46Å; L335-W364 PolarHBondContact O-N 3.22Å
336	V	94.7	Very high	90.3	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.03	12%	0.123	C	C	.	.	S	Bend	trans	-124	68.9	-176.1	-170	0	0	0	0	109.4	M314 M332 I370 N381	M314-V336 HydrophobicContact SD-CG2 4.43Å; M332-V336 HydrophobicContact CE-CB 4.19Å; M332-V336 HydrophobicContact CE-CG2 3.79Å; M332-V336 CarbonylContact O-C 3.43Å; M332-V336 PolarHBondContact O-N 3.23Å; V336-I370 HydrophobicContact CG2-CD1 4.03Å; V336-N381 WeakPolarHBondContact CB-OD1 3.16Å
337	P	94.2	Very high	90.2	Very high	10 Å²	10	24.5 Å²	24.5	7%	0.065	13%	0.134	C	C	.	.			trans	-73	141.8	179	28.7	-34.3	0	0	0	111.8	R333 L335 F354 P363 R384	R333-P337 WeakPolarHBondContact O-CB 3.37Å; L335-P337 WeakPolarHBondContact O-CD 3.29Å; P337-F354 HydrophobicContact CB-CD1 4.04Å; P337-F354 HydrophobicContact CB-CE1 4.05Å; P337-P363 HydrophobicContact CG-CB 4.1Å; P337-P363 HydrophobicContact CG-CG 3.85Å; P337-R384 PolarHBondContact O-NH2 3.44Å
338	P	93.2	Very high	90.3	Very high	13 Å²	13	26.5 Å²	26.5	8%	0.084	15%	0.148	C	C	.	.			trans	-58.2	164.7	172.4	27.4	-36	0	0	0	111.8	W340 M346 F354 R384	P338-W340 PolarHBondContact O-N 2.89Å; P338-M346 HydrophobicContact CG-CE 4.3Å; P338-F354 HydrophobicContact CG-CE1 4.2Å; P338-F354 HydrophobicContact CG-CE2 3.85Å; P338-F354 HydrophobicContact CG-CZ 3.54Å; P338-R384 PolarHBondContact O-NH2 3.22Å
339	A	91.9	Very high	90.4	Very high	12 Å²	12	30.9 Å²	30.9	10%	0.099	17%	0.169	C	C	.	.	S	Bend	trans	-62.5	107.2	167.6	0	0	0	0	0	109.4	N343 V557	A339-N343 VanDerWaalsContact O-CB 3.27Å; A339-N343 WeakPolarHBondContact O-CB 3.26Å; A339-N343 PolarHBondContact O-ND2 2.91Å; A339-V557 HydrophobicContact CB-CB 4.18Å; A339-V557 HydrophobicContact CB-CG1 3.99Å
340	W	91.7	Very high	90.4	Very high	24 Å²	24	31 Å²	31	9%	0.091	17%	0.169	C	C	.	.			trans	-116.6	-29.5	-170.9	66.9	-102.3	0	0	0	113.5	P338 M346 R351 F354 D355	P338-W340 PolarHBondContact O-N 2.89Å; W340-M346 HydrophobicContact CB-CE 3.7Å; W340-M346 HydrophobicContact CB-SD 3.48Å; W340-M346 WeakPolarHBondContact CB-SD 3.24Å; W340-R351 HydrophobicContact CE3-CG 3.82Å; W340-R351 HydrophobicContact CZ3-CG 4.18Å; W340-F354 HydrophobicContact CB-CB 4.16Å; W340-F354 HydrophobicContact CB-CD2 3.84Å; W340-F354 HydrophobicContact CB-CG 4.13Å; W340-F354 AromaticContact CD1-CG 4Å; W340-F354 HydrophobicContact CD2-CB 3.61Å; W340-F354 HydrophobicContact CD2-CG 4.48Å; W340-F354 HydrophobicContact CE3-CB 4.14Å; W340-F354 HydrophobicContact CG-CB 3.61Å; W340-F354 HydrophobicContact CG-CD2 4.21Å; W340-F354 AromaticContact CG-CG 3.98Å; W340-F354 HydrophobicContact CG-CG 3.98Å; W340-F354 HydrophobicContact CZ2-CB 4.49Å; W340-D355 VanDerWaalsContact CH2-CA 3.48Å; W340-D355 HydrophobicContact CH2-CB 3.68Å; W340-D355 HydrophobicContact CZ3-CB 3.79Å
341	Q	88.4	Confident	90.4	Very high	41 Å²	41	33.9 Å²	33.9	19%	0.192	18%	0.18	C	C	.	.	S	Bend	trans	-63.1	-50.1	-171.9	-66.4	89	-17.1	0	0	112.7
342	N	83.5	Confident	90.3	Very high	80 Å²	80	34.4 Å²	34.4	43%	0.428	18%	0.184	S	C	.	.	S	Bend	trans	-112.4	15.5	-176.5	-46.2	-41.9	0	0	0	112.6	P344 M558	N342-P344 WeakPolarHBondContact O-CD 3.25Å; N342-M558 PolarHBondContact ND2-O 2.9Å
343	N	83.2	Confident	90.4	Very high	40 Å²	40	34.4 Å²	34.4	21%	0.214	18%	0.184	C	C	.	.			trans	-74.6	118.9	-179.8	-176.7	-27.6	0	0	0	109.9	A339 D345 M346 R351	A339-N343 VanDerWaalsContact O-CB 3.27Å; A339-N343 WeakPolarHBondContact O-CB 3.26Å; A339-N343 PolarHBondContact O-ND2 2.91Å; N343-D345 PolarHBondContact OD1-N 2.76Å; N343-M346 HydrophobicContact CB-CB 4.03Å; N343-M346 PolarHBondContact OD1-N 3.49Å; N343-R351 PolarHBondContact O-NH2 3.14Å
344	P	75.8	Confident	90.4	Very high	78 Å²	78	34.4 Å²	34.4	51%	0.506	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-28.3	-175	30.1	-35.1	0	0	0	113.1	N342	N342-P344 WeakPolarHBondContact O-CD 3.25Å
345	D	78.4	Confident	90.2	Very high	65 Å²	65	35.5 Å²	35.5	35%	0.348	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-7.9	-176.6	-75.6	1.3	0	0	0	112.3	N343 D347 R1437	N343-D345 PolarHBondContact OD1-N 2.76Å; D345-D347 PolarHBondContact O-N 2.81Å; D345-R1437 IonicContact OD2-CZ 3.23Å; D345-R1437 IonicContact OD2-NE 2.74Å; D345-R1437 PolarHBondContact OD2-NE 2.89Å; D345-R1437 IonicContact OD2-NH2 3.29Å; D345-R1437 PolarHBondContact OD2-NH2 3.29Å
346	M	87.3	Confident	90.1	Very high	21 Å²	21	35.6 Å²	35.6	10%	0.103	19%	0.19	C	C	.	.			trans	-75.5	126.1	-177.3	-173.5	169.9	-72	0	0	113.4	P338 W340 N343 L350 R351 F354	P338-M346 HydrophobicContact CG-CE 4.3Å; W340-M346 HydrophobicContact CB-CE 3.7Å; W340-M346 HydrophobicContact CB-SD 3.48Å; W340-M346 WeakPolarHBondContact CB-SD 3.24Å; N343-M346 HydrophobicContact CB-CB 4.03Å; N343-M346 PolarHBondContact OD1-N 3.49Å; M346-L350 HydrophobicContact CE-CD2 4.39Å; M346-L350 HydrophobicContact CG-CB 4.48Å; M346-L350 HydrophobicContact CG-CD2 4.23Å; M346-L350 HydrophobicContact CG-CG 4.38Å; M346-L350 HydrophobicContact SD-CD2 4.48Å; M346-L350 HydrophobicContact SD-CG 4.33Å; M346-R351 HydrophobicContact CG-CB 4.37Å; M346-R351 PolarHBondContact O-NH1 3.14Å; M346-R351 PolarHBondContact O-NH2 3.01Å; M346-R351 HydrophobicContact SD-CB 4.3Å; M346-F354 HydrophobicContact CE-CD2 4.24Å; M346-F354 HydrophobicContact CE-CE2 3.99Å; M346-F354 HydrophobicContact SD-CD2 3.92Å; M346-F354 HydrophobicContact SD-CE2 4.2Å
347	D	90	Very high	89.9	Confident	54 Å²	54	35.8 Å²	35.8	29%	0.289	19%	0.191	S	C	.	.			trans	-52.8	134.7	172.5	167	54	0	0	0	113.1	D345 E349 L350 R351 K448	D345-D347 PolarHBondContact O-N 2.81Å; D347-E349 VanDerWaalsContact C-N 3.33Å; D347-E349 PolarHBondContact O-N 3.48Å; D347-E349 WeakPolarHBondContact OD2-CB 3.44Å; D347-E349 PolarHBondContact OD2-N 2.93Å; D347-L350 HydrophobicContact CB-CB 4.18Å; D347-L350 PolarHBondContact O-N 2.74Å; D347-L350 PolarHBondContact OD2-N 3.14Å; D347-R351 WeakPolarHBondContact O-CB 3.24Å; D347-R351 PolarHBondContact O-N 3.13Å; D347-K448 WeakPolarHBondContact OD2-CD 3.35Å; D347-K448 WeakPolarHBondContact OD2-CE 3.28Å; D347-K448 IonicContact OD2-NZ 3.42Å; D347-K448 PolarHBondContact OD2-NZ 3Å
348	P	92.1	Very high	89.6	Confident	72 Å²	72	37 Å²	37	47%	0.468	20%	0.2	S	C	.	.	H	α-helix	trans	-60.2	-31.5	179.7	-27.2	36.3	0	0	0	116	A352	P348-A352 PolarHBondContact O-N 3.34Å; P348-A352 VanDerWaalsContact O-N 3.07Å
349	E	94.7	Very high	89.3	Confident	97 Å²	97	37.3 Å²	37.3	45%	0.453	20%	0.2	S	C	.	.	H	α-helix	trans	-72.9	-45	178.5	-60.1	-177.4	161.9	0	0	110.8	D347 R351 A352 F353 K448 K454	D347-E349 VanDerWaalsContact C-N 3.33Å; D347-E349 PolarHBondContact O-N 3.48Å; D347-E349 WeakPolarHBondContact OD2-CB 3.44Å; D347-E349 PolarHBondContact OD2-N 2.93Å; E349-R351 VanDerWaalsContact C-N 3.32Å; E349-R351 PolarHBondContact O-N 3.21Å; E349-A352 WeakPolarHBondContact O-CB 3.24Å; E349-A352 PolarHBondContact O-N 2.71Å; E349-A352 VanDerWaalsContact O-N 3.13Å; E349-F353 PolarHBondContact O-N 2.58Å; E349-K448 HydrophobicContact CB-CD 4.16Å; E349-K448 HydrophobicContact CB-CG 4.43Å; E349-K454 HydrophobicContact CG-CD 4.31Å
350	L	94.4	Very high	89.1	Confident	17 Å²	17	37 Å²	37	9%	0.089	20%	0.197	C	C	.	.	H	α-helix	trans	-60.5	-40.1	171.6	-177.4	58.9	0	0	0	112.2	M346 D347 A352 F353 F354 D444 K448	M346-L350 HydrophobicContact CE-CD2 4.39Å; M346-L350 HydrophobicContact CG-CB 4.48Å; M346-L350 HydrophobicContact CG-CD2 4.23Å; M346-L350 HydrophobicContact CG-CG 4.38Å; M346-L350 HydrophobicContact SD-CD2 4.48Å; M346-L350 HydrophobicContact SD-CG 4.33Å; D347-L350 HydrophobicContact CB-CB 4.18Å; D347-L350 PolarHBondContact O-N 2.74Å; D347-L350 PolarHBondContact OD2-N 3.14Å; L350-A352 VanDerWaalsContact C-N 3.28Å; L350-A352 PolarHBondContact O-N 3.41Å; L350-F353 HydrophobicContact CD1-CD1 4.28Å; L350-F353 WeakPolarHBondContact O-CB 3.28Å; L350-F353 PolarHBondContact O-N 3.34Å; L350-F354 HydrophobicContact CD1-CD2 4.14Å; L350-F354 HydrophobicContact CD1-CE2 3.57Å; L350-F354 HydrophobicContact CD1-CZ 4.18Å; L350-F354 HydrophobicContact CD2-CE2 4.22Å; L350-F354 HydrophobicContact CG-CD2 4.09Å; L350-F354 HydrophobicContact CG-CE2 3.68Å; L350-F354 VanDerWaalsContact O-CD2 3.31Å; L350-F354 WeakPolarHBondContact O-CD2 3.23Å; L350-F354 PolarHBondContact O-N 3.38Å; L350-F354 VanDerWaalsContact O-N 3.15Å; L350-D444 HydrophobicContact CD1-CB 3.76Å; L350-D444 HydrophobicContact CD2-CB 3.77Å; L350-D444 HydrophobicContact CG-CB 4.42Å; L350-K448 HydrophobicContact CB-CB 4.48Å; L350-K448 HydrophobicContact CB-CD 4.03Å; L350-K448 HydrophobicContact CD1-CB 4.4Å
351	R	93.9	Very high	89.1	Confident	72 Å²	72	36 Å²	36	27%	0.272	19%	0.194	S	C	.	.	H	α-helix	trans	-60.7	-38.9	174.4	-164.4	-177.6	-73.3	105.4	1.8	111.3	W340 N343 M346 D347 E349 F354 D355	W340-R351 HydrophobicContact CE3-CG 3.82Å; W340-R351 HydrophobicContact CZ3-CG 4.18Å; N343-R351 PolarHBondContact O-NH2 3.14Å; M346-R351 HydrophobicContact CG-CB 4.37Å; M346-R351 PolarHBondContact O-NH1 3.14Å; M346-R351 PolarHBondContact O-NH2 3.01Å; M346-R351 HydrophobicContact SD-CB 4.3Å; D347-R351 WeakPolarHBondContact O-CB 3.24Å; D347-R351 PolarHBondContact O-N 3.13Å; E349-R351 VanDerWaalsContact C-N 3.32Å; E349-R351 PolarHBondContact O-N 3.21Å; R351-F354 PolarHBondContact O-N 2.79Å; R351-D355 WeakPolarHBondContact O-CB 3.4Å; R351-D355 PolarHBondContact O-N 2.91Å
352	A	93.4	Very high	89.3	Confident	10 Å²	10	34.4 Å²	34.4	8%	0.083	19%	0.186	C	C	.	.	H	α-helix	trans	-68.6	-34.4	176.5	0	0	0	0	0	113.2	P348 E349 L350 F356 K454	P348-A352 PolarHBondContact O-N 3.34Å; P348-A352 VanDerWaalsContact O-N 3.07Å; E349-A352 WeakPolarHBondContact O-CB 3.24Å; E349-A352 PolarHBondContact O-N 2.71Å; E349-A352 VanDerWaalsContact O-N 3.13Å; L350-A352 VanDerWaalsContact C-N 3.28Å; L350-A352 PolarHBondContact O-N 3.41Å; A352-F356 VanDerWaalsContact O-CB 3.28Å; A352-F356 WeakPolarHBondContact O-CB 3.47Å; A352-F356 PolarHBondContact O-N 3.47Å; A352-K454 HydrophobicContact CB-CB 3.87Å; A352-K454 HydrophobicContact CB-CG 4.49Å
353	F	94.5	Very high	89.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59.6	-47.6	170.7	164.3	-95	0	0	0	111.7	R333 L334 E349 L350 F356 N357 L447 Y453	R333-F353 HydrophobicContact CB-CE1 4.29Å; L334-F353 HydrophobicContact CD1-CZ 4.19Å; E349-F353 PolarHBondContact O-N 2.58Å; L350-F353 HydrophobicContact CD1-CD1 4.28Å; L350-F353 WeakPolarHBondContact O-CB 3.28Å; L350-F353 PolarHBondContact O-N 3.34Å; F353-F356 PolarHBondContact O-N 3.03Å; F353-N357 WeakPolarHBondContact CE2-ND2 3.43Å; F353-N357 PolarHBondContact O-N 3.02Å; F353-N357 PolarHBondContact O-ND2 2.89Å; F353-L447 HydrophobicContact CE1-CD1 4.35Å; F353-L447 HydrophobicContact CE2-CB 4.25Å; F353-L447 HydrophobicContact CZ-CB 4.22Å; F353-L447 HydrophobicContact CZ-CD1 4.15Å; F353-L447 HydrophobicContact CZ-CD2 4.37Å; F353-Y453 HydrophobicContact CB-CD2 4.08Å; F353-Y453 HydrophobicContact CB-CE2 4.37Å; F353-Y453 HydrophobicContact CB-CG 4.36Å; F353-Y453 HydrophobicContact CD2-CD2 4.22Å; F353-Y453 HydrophobicContact CD2-CE1 4.12Å; F353-Y453 AromaticContact CD2-CE2 3.7Å; F353-Y453 HydrophobicContact CD2-CE2 3.7Å; F353-Y453 AromaticContact CD2-CZ 3.62Å
354	F	93.6	Very high	90.3	Very high	6 Å²	6	29.5 Å²	29.5	3%	0.026	16%	0.16	C	C	.	.	H	α-helix	trans	-67.5	-42.6	178.1	-71.5	-60.7	0	0	0	112.4	R333 P337 P338 W340 M346 L350 R351 F356 N357 S358	R333-F354 HydrophobicContact CB-CE1 4.29Å; P337-F354 HydrophobicContact CB-CD1 4.04Å; P337-F354 HydrophobicContact CB-CE1 4.05Å; P338-F354 HydrophobicContact CG-CE1 4.2Å; P338-F354 HydrophobicContact CG-CE2 3.85Å; P338-F354 HydrophobicContact CG-CZ 3.54Å; W340-F354 HydrophobicContact CB-CB 4.16Å; W340-F354 HydrophobicContact CB-CD2 3.84Å; W340-F354 HydrophobicContact CB-CG 4.13Å; W340-F354 AromaticContact CD1-CG 4Å; W340-F354 HydrophobicContact CD2-CB 3.61Å; W340-F354 HydrophobicContact CD2-CG 4.48Å; W340-F354 HydrophobicContact CE3-CB 4.14Å; W340-F354 HydrophobicContact CG-CB 3.61Å; W340-F354 HydrophobicContact CG-CD2 4.21Å; W340-F354 AromaticContact CG-CG 3.98Å; W340-F354 HydrophobicContact CG-CG 3.98Å; W340-F354 HydrophobicContact CZ2-CB 4.49Å; M346-F354 HydrophobicContact CE-CD2 4.24Å; M346-F354 HydrophobicContact CE-CE2 3.99Å; M346-F354 HydrophobicContact SD-CD2 3.92Å; M346-F354 HydrophobicContact SD-CE2 4.2Å; L350-F354 HydrophobicContact CD1-CD2 4.14Å; L350-F354 HydrophobicContact CD1-CE2 3.57Å; L350-F354 HydrophobicContact CD1-CZ 4.18Å; L350-F354 HydrophobicContact CD2-CE2 4.22Å; L350-F354 HydrophobicContact CG-CD2 4.09Å; L350-F354 HydrophobicContact CG-CE2 3.68Å; L350-F354 VanDerWaalsContact O-CD2 3.31Å; L350-F354 WeakPolarHBondContact O-CD2 3.23Å; L350-F354 PolarHBondContact O-N 3.38Å; L350-F354 VanDerWaalsContact O-N 3.15Å; R351-F354 PolarHBondContact O-N 2.79Å; F354-F356 PolarHBondContact O-N 2.98Å; F354-N357 PolarHBondContact O-N 3.43Å; F354-S358 WeakPolarHBondContact O-CB 3.43Å; F354-S358 PolarHBondContact O-N 2.83Å
355	D	91	Very high	91	Very high	28 Å²	28	26 Å²	26	15%	0.15	14%	0.137	C	C	.	.	H	α-helix	trans	-59.5	-45.3	176.2	-169.4	3.7	0	0	0	111.1	W340 R351 N357 S358 M457 R580	W340-D355 VanDerWaalsContact CH2-CA 3.48Å; W340-D355 HydrophobicContact CH2-CB 3.68Å; W340-D355 HydrophobicContact CZ3-CB 3.79Å; R351-D355 WeakPolarHBondContact O-CB 3.4Å; R351-D355 PolarHBondContact O-N 2.91Å; D355-N357 PolarHBondContact O-N 3.31Å; D355-S358 PolarHBondContact O-N 3.37Å; D355-S358 PolarHBondContact O-OG 2.97Å; D355-M457 HydrophobicContact CB-CE 3.64Å; D355-M457 WeakPolarHBondContact OD1-CE 3.35Å; D355-M457 WeakPolarHBondContact OD2-CE 3.09Å; D355-R580 PolarHBondContact O-NH1 3.1Å
356	F	91.6	Very high	91.5	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.009	12%	0.121	C	C	.	.	H	α-helix	trans	-55.9	-47.5	176.4	176.5	-95.4	0	0	0	112.5	A352 F353 F354 Y453 W456 M457 Q577 A578 R580	A352-F356 VanDerWaalsContact O-CB 3.28Å; A352-F356 WeakPolarHBondContact O-CB 3.47Å; A352-F356 PolarHBondContact O-N 3.47Å; F353-F356 PolarHBondContact O-N 3.03Å; F354-F356 PolarHBondContact O-N 2.98Å; F356-Y453 HydrophobicContact CB-CD1 4.05Å; F356-Y453 AromaticContact CD1-CD1 3.78Å; F356-Y453 HydrophobicContact CD1-CD1 3.78Å; F356-Y453 AromaticContact CD1-CE1 3.82Å; F356-Y453 HydrophobicContact CD1-CE1 3.82Å; F356-Y453 HydrophobicContact CD2-CD1 4.41Å; F356-Y453 HydrophobicContact CE1-CD1 4.33Å; F356-Y453 HydrophobicContact CE1-CE1 4.11Å; F356-Y453 AromaticContact CG-CD1 3.82Å; F356-Y453 HydrophobicContact CG-CD1 3.82Å; F356-Y453 HydrophobicContact CG-CE1 4.35Å; F356-W456 HydrophobicContact CD2-CE3 4.46Å; F356-W456 HydrophobicContact CE2-CE3 4Å; F356-W456 HydrophobicContact CE2-CZ3 4.37Å; F356-W456 HydrophobicContact CZ-CE3 4.39Å; F356-W456 HydrophobicContact CZ-CZ3 4.3Å; F356-M457 HydrophobicContact CB-CE 4.5Å; F356-M457 HydrophobicContact CB-CG 4.3Å; F356-M457 HydrophobicContact CB-SD 4.01Å; F356-M457 HydrophobicContact CD2-SD 4.09Å; F356-Q577 HydrophobicContact CE2-CB 4.08Å; F356-Q577 HydrophobicContact CZ-CB 3.96Å; F356-A578 HydrophobicContact CD2-CB 4.3Å; F356-A578 HydrophobicContact CE2-CB 4.27Å; F356-R580 PolarHBondContact O-NH1 3.13Å; F356-R580 PolarHBondContact O-NH2 3.47Å
357	N	90.8	Very high	91.6	Very high	10 Å²	10	22 Å²	22	5%	0.053	12%	0.116	C	C	.	.	H	α-helix	trans	-75.6	-26.3	-179.2	-71.5	-81.8	0	0	0	113.4	L334 F353 F354 D355 M359 H360 M361	L334-N357 HydrophobicContact CD1-CB 4.2Å; L334-N357 HydrophobicContact CG-CB 4.22Å; F353-N357 WeakPolarHBondContact CE2-ND2 3.43Å; F353-N357 PolarHBondContact O-N 3.02Å; F353-N357 PolarHBondContact O-ND2 2.89Å; F354-N357 PolarHBondContact O-N 3.43Å; D355-N357 PolarHBondContact O-N 3.31Å; N357-M359 PolarHBondContact O-N 2.83Å; N357-H360 PolarHBondContact O-N 2.96Å; N357-M361 PolarHBondContact O-N 3.2Å
358	S	88.8	Confident	91.6	Very high	35 Å²	35	19.4 Å²	19.4	25%	0.245	10%	0.103	C	C	.	.	H	α-helix	trans	-60.5	-20	-171.5	72.9	0	0	0	0	116.6	F354 D355	F354-S358 WeakPolarHBondContact O-CB 3.43Å; F354-S358 PolarHBondContact O-N 2.83Å; D355-S358 PolarHBondContact O-N 3.37Å; D355-S358 PolarHBondContact O-OG 2.97Å
359	M	86	Confident	91.6	Very high	19 Å²	19	16 Å²	16	9%	0.094	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-19.4	175	-168.8	170.6	76.3	0	0	112.7	N357 R566 E567 R580	N357-M359 PolarHBondContact O-N 2.83Å; M359-R566 VanDerWaalsContact CE-O 3.31Å; M359-R566 WeakPolarHBondContact CE-O 3.24Å; M359-E567 WeakPolarHBondContact O-CG 3.38Å; M359-R580 HydrophobicContact CE-CB 4.07Å; M359-R580 HydrophobicContact SD-CB 3.5Å; M359-R580 WeakPolarHBondContact SD-CB 3.35Å; M359-R580 HydrophobicContact SD-CG 4.5Å
360	H	88.2	Confident	91.6	Very high	5 Å²	5	11.4 Å²	11.4	2%	0.023	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-11.7	-170.5	-52.7	-44.2	0	0	0	113.7	R285 N357 M568 V570 R580	R285-H360 PolarHBondContact NE-O 3.49Å; R285-H360 VanDerWaalsContact NE-O 3.13Å; N357-H360 PolarHBondContact O-N 2.96Å; H360-M568 PolarHBondContact CE1-N 3.05Å; H360-M568 PolarHBondContact ND1-N 3.02Å; H360-V570 HydrophobicContact CB-CG1 3.79Å; H360-R580 PolarHBondContact NE2-NH2 3.22Å
361	M	91.3	Very high	91.6	Very high	5 Å²	5	10.6 Å²	10.6	3%	0.025	6%	0.055	C	C	.	.			trans	-146.8	121	169.5	-167.6	64.5	66.3	0	0	108.6	M317 L334 L335 N357	M317-M361 HydrophobicContact CE-CE 4.1Å; M317-M361 HydrophobicContact CE-SD 4.3Å; M317-M361 HydrophobicContact SD-CE 4.45Å; L334-M361 WeakPolarHBondContact O-CG 3.31Å; L335-M361 HydrophobicContact CD2-CE 4.37Å; L335-M361 HydrophobicContact CD2-CG 4.29Å; L335-M361 HydrophobicContact CD2-SD 4.08Å; N357-M361 PolarHBondContact O-N 3.2Å
362	E	92.9	Very high	91.7	Very high	6 Å²	6	7.2 Å²	7.2	3%	0.028	4%	0.042	C	C	.	.			trans	-76.7	146.1	166.3	75.1	-62.9	153.9	0	0	110.3	N278 R285 W364 A754	N278-E362 WeakPolarHBondContact CA-OE1 3.46Å; N278-E362 WeakPolarHBondContact ND2-CG 3.22Å; N278-E362 PolarHBondContact ND2-OE1 2.91Å; R285-E362 IonicContact CZ-OE2 3.39Å; R285-E362 IonicContact NH1-OE1 2.68Å; R285-E362 IonicContact NH1-OE2 2.69Å; R285-E362 PolarHBondContact NH1-OE2 3Å; R285-E362 IonicContact NH2-OE2 2.76Å; R285-E362 PolarHBondContact NH2-OE2 3.4Å; E362-W364 PolarHBondContact O-N 3.45Å; E362-A754 HydrophobicContact CB-CB 4.14Å
363	P	94	Very high	91.8	Very high	12 Å²	12	6.7 Å²	6.7	8%	0.078	4%	0.038	C	C	.	.			trans	-56.5	140.1	175.4	-25.2	33.1	0	0	0	112.4	N278 P337 D365 T752 S755	N278-P363 PolarHBondContact ND2-O 3.11Å; P337-P363 HydrophobicContact CG-CB 4.1Å; P337-P363 HydrophobicContact CG-CG 3.85Å; P363-D365 PolarHBondContact O-N 2.9Å; P363-T752 HydrophobicContact CG-CG2 4.16Å; P363-S755 WeakPolarHBondContact CD-OG 3.35Å; P363-S755 WeakPolarHBondContact O-CB 3.31Å; P363-S755 PolarHBondContact O-OG 3.12Å
364	W	94.6	Very high	91.6	Very high	5 Å²	5	7.4 Å²	7.4	2%	0.019	4%	0.042	C	C	.	.			trans	-87.5	93.7	164.1	-69.4	53	0	0	0	105.8	I272 I275 N278 V304 M314 M317 L335 E362	I272-W364 HydrophobicContact CG2-CB 4.07Å; I272-W364 HydrophobicContact CG2-CE3 4.14Å; I275-W364 HydrophobicContact CD1-CE3 4.29Å; I275-W364 HydrophobicContact CD1-CH2 4.31Å; I275-W364 HydrophobicContact CD1-CZ3 3.65Å; N278-W364 HydrophobicContact CB-CD2 3.85Å; N278-W364 HydrophobicContact CB-CE3 4.2Å; N278-W364 HydrophobicContact CB-CG 4.39Å; N278-W364 HydrophobicContact CB-CH2 4.11Å; N278-W364 HydrophobicContact CB-CZ2 3.74Å; N278-W364 HydrophobicContact CB-CZ3 4.31Å; V304-W364 HydrophobicContact CG1-CH2 4.16Å; M314-W364 HydrophobicContact CB-CE3 3.9Å; M314-W364 HydrophobicContact CB-CZ3 3.89Å; M314-W364 HydrophobicContact CG-CE3 4.3Å; M317-W364 HydrophobicContact CB-CH2 4.13Å; M317-W364 HydrophobicContact CB-CZ2 3.95Å; M317-W364 HydrophobicContact CE-CZ2 4.1Å; M317-W364 HydrophobicContact CG-CZ2 4.04Å; L335-W364 HydrophobicContact CD2-CG 4.46Å; L335-W364 PolarHBondContact O-N 3.22Å; E362-W364 PolarHBondContact O-N 3.45Å
365	D	89.9	Confident	91.5	Very high	4 Å²	4	7.6 Å²	7.6	2%	0.021	5%	0.045	C	C	.	.			trans	-95.9	164.9	-167.2	-151	0.9	0	0	0	111.6	I272 N273 T274 P363 S751	I272-D365 CarbonylContact C-O 3.56Å; I272-D365 WeakPolarHBondContact CA-O 3.5Å; N273-D365 PolarHBondContact N-O 3.49Å; N273-D365 PolarHBondContact OD1-O 3.27Å; T274-D365 HydrophobicContact CG2-CB 3.82Å; T274-D365 PolarHBondContact OG1-N 2.96Å; P363-D365 PolarHBondContact O-N 2.9Å; D365-S751 PolarHBondContact OD1-OG 2.79Å; D365-S751 WeakPolarHBondContact OD2-CA 3.3Å; D365-S751 WeakPolarHBondContact OD2-CB 3.48Å; D365-S751 PolarHBondContact OD2-N 3.01Å; D365-S751 PolarHBondContact OD2-OG 2.83Å
366	G	88.9	Confident	91.6	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.01	5%	0.052	C	C	.	.	S	Bend	trans	119.9	171.5	-174.1	0	0	0	0	0	112.7	N273 A368 D383	N273-G366 PolarHBondContact OD1-N 3.45Å; G366-A368 PolarHBondContact O-N 3.14Å; G366-D383 WeakPolarHBondContact O-CB 3.48Å
367	P	88.4	Confident	91.7	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.006	6%	0.056	C	C	.	.			trans	-58.9	130.5	173.3	-18.9	30.7	0	0	0	109.8	H268 G270 E271 L387 R388 N546 P547	H268-P367 PolarHBondContact NE2-O 2.57Å; G270-P367 CarbonylContact C-O 3.03Å; G270-P367 WeakPolarHBondContact CA-O 3Å; E271-P367 PolarHBondContact N-O 3.01Å; E271-P367 WeakPolarHBondContact O-CD 3.43Å; P367-L387 HydrophobicContact CB-CB 3.75Å; P367-L387 HydrophobicContact CB-CD1 4.31Å; P367-L387 HydrophobicContact CG-CB 4.11Å; P367-L387 HydrophobicContact CG-CD1 3.91Å; P367-R388 HydrophobicContact CB-CG 4.06Å; P367-N546 HydrophobicContact CG-CB 3.87Å; P367-P547 HydrophobicContact CG-CG 4.2Å
368	A	90.7	Very high	91.9	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.008	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	113.5	176.6	0	0	0	0	0	111.6	H268 I272 G366 I370 L382 D383	H268-A368 WeakPolarHBondContact NE2-CA 3.45Å; H268-A368 VanDerWaalsContact NE2-CB 3.3Å; H268-A368 WeakPolarHBondContact NE2-CB 3.47Å; I272-A368 HydrophobicContact CD1-CB 4.46Å; G366-A368 PolarHBondContact O-N 3.14Å; A368-I370 HydrophobicContact CB-CD1 4.05Å; A368-I370 HydrophobicContact CB-CG1 3.96Å; A368-L382 CarbonylContact O-C 3.48Å; A368-L382 VanDerWaalsContact O-CA 3.31Å; A368-L382 WeakPolarHBondContact O-CA 3.24Å; A368-D383 HydrophobicContact CB-CB 4Å; A368-D383 PolarHBondContact N-OD1 2.88Å; A368-D383 PolarHBondContact O-N 3.45Å
369	G	92.5	Very high	92.2	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	109.4	158.4	0	0	0	0	0	108.6	N269	N269-G369 PolarHBondContact N-O 3.44Å; N269-G369 PolarHBondContact O-N 3.41Å
370	I	94.4	Very high	92.6	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.4	-173.2	-47.7	170.7	0	0	0	109.5	L266 A267 M314 M332 V336 A368 M372 C380 N381	L266-I370 HydrophobicContact CB-CG2 3.9Å; L266-I370 HydrophobicContact CD1-CG2 4.37Å; L266-I370 HydrophobicContact CD2-CG2 4.37Å; L266-I370 HydrophobicContact CG-CG2 4.45Å; A267-I370 WeakPolarHBondContact O-CA 3.4Å; M314-I370 HydrophobicContact CE-CD1 3.62Å; M314-I370 HydrophobicContact CE-CG1 4.09Å; M314-I370 HydrophobicContact SD-CD1 3.76Å; M332-I370 HydrophobicContact CE-CD1 3.72Å; V336-I370 HydrophobicContact CG2-CD1 4.03Å; A368-I370 HydrophobicContact CB-CD1 4.05Å; A368-I370 HydrophobicContact CB-CG1 3.96Å; I370-M372 HydrophobicContact CB-CE 4.05Å; I370-M372 HydrophobicContact CG2-CE 3.62Å; I370-C380 CarbonylContact O-C 3.54Å; I370-C380 WeakPolarHBondContact O-CA 3.33Å; I370-N381 PolarHBondContact N-O 2.84Å; I370-N381 PolarHBondContact O-N 2.59Å
371	V	95.2	Very high	92.9	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	142.6	165	-70.8	0	0	0	0	110.2	F45 L47 L244 L266 A267 A379 C380	F45-V371 HydrophobicContact CB-CG2 4.46Å; F45-V371 HydrophobicContact CD2-CB 4.21Å; F45-V371 HydrophobicContact CD2-CG1 3.51Å; F45-V371 HydrophobicContact CD2-CG2 3.79Å; F45-V371 HydrophobicContact CE2-CG1 3.58Å; L47-V371 HydrophobicContact CB-CB 4.15Å; L47-V371 HydrophobicContact CB-CG1 3.9Å; L244-V371 HydrophobicContact CB-CG2 4.46Å; L244-V371 HydrophobicContact CD2-CB 3.97Å; L244-V371 HydrophobicContact CD2-CG2 4.07Å; L266-V371 CarbonylContact C-O 3.38Å; L266-V371 WeakPolarHBondContact CA-O 3.41Å; A267-V371 HydrophobicContact CB-CG2 3.96Å; A267-V371 PolarHBondContact N-O 2.98Å; A267-V371 PolarHBondContact O-N 3.17Å; V371-A379 CarbonylContact C-O 3.6Å; V371-A379 VanDerWaalsContact CA-O 3.29Å; V371-A379 WeakPolarHBondContact CA-O 3.32Å; V371-C380 HydrophobicContact CG1-CB 4.05Å
372	M	95.5	Very high	93	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	157.5	-168	65.6	-167.3	73.9	0	0	112.8	Y265 L266 I328 M332 I370 A378 A379 N381	Y265-M372 CarbonylContact O-C 3.57Å; Y265-M372 WeakPolarHBondContact O-CA 3.45Å; Y265-M372 WeakPolarHBondContact O-CB 3.42Å; L266-M372 HydrophobicContact CB-CB 4.11Å; I328-M372 HydrophobicContact CD1-CB 4.23Å; I328-M372 HydrophobicContact CD1-CG 3.7Å; I328-M372 HydrophobicContact CD1-SD 3.83Å; I328-M372 HydrophobicContact CG1-CG 4.36Å; I328-M372 HydrophobicContact CG1-SD 3.81Å; M332-M372 HydrophobicContact CE-CE 3.88Å; M332-M372 HydrophobicContact CG-CE 3.65Å; M332-M372 HydrophobicContact CG-SD 3.38Å; M332-M372 WeakPolarHBondContact CG-SD 3.32Å; M332-M372 HydrophobicContact SD-CE 3.72Å; M332-M372 HydrophobicContact SD-SD 3.9Å; I370-M372 HydrophobicContact CB-CE 4.05Å; I370-M372 HydrophobicContact CG2-CE 3.62Å; M372-A378 WeakPolarHBondContact O-CA 3.42Å; M372-A379 HydrophobicContact CG-CB 3.71Å; M372-A379 PolarHBondContact N-O 3.34Å; M372-A379 PolarHBondContact O-N 3.06Å; M372-A379 HydrophobicContact SD-CB 4.1Å; M372-N381 HydrophobicContact CE-CB 3.93Å
373	S	94.9	Very high	93.1	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	138.4	174.5	-172.1	0	0	0	0	113.4	Y265 G375 F377	Y265-S373 WeakPolarHBondContact CD1-O 3.46Å; Y265-S373 PolarHBondContact O-N 3.41Å; S373-G375 VanDerWaalsContact C-N 3.34Å; S373-G375 PolarHBondContact OG-N 2.99Å; S373-F377 WeakPolarHBondContact CA-O 3.31Å; S373-F377 VanDerWaalsContact CB-O 3.29Å; S373-F377 WeakPolarHBondContact CB-O 3.5Å; S373-F377 PolarHBondContact OG-O 2.73Å
374	D	91.5	Very high	93	Very high	14 Å²	14	7.1 Å²	7.1	8%	0.075	3%	0.033	C	C	.	.	S	Bend	trans	-95.3	17	164.9	81.7	-22.2	0	0	0	112.2	R182 L213 R376 F377	R182-D374 IonicContact NH2-OD2 2.68Å; L213-D374 WeakPolarHBondContact CB-O 3.5Å; L213-D374 WeakPolarHBondContact CD1-O 3.25Å; D374-R376 PolarHBondContact O-N 3.41Å; D374-R376 WeakPolarHBondContact OD1-CB 3.36Å; D374-R376 PolarHBondContact OD1-N 3.29Å; D374-F377 PolarHBondContact N-O 2.94Å; D374-F377 WeakPolarHBondContact OD1-CD2 3.43Å; D374-F377 PolarHBondContact OD1-N 3.35Å
375	G	90.8	Very high	92.7	Very high	10 Å²	10	7.2 Å²	7.2	10%	0.103	3%	0.034	C	C	.	.	S	Bend	trans	76	-7.6	-174.5	0	0	0	0	0	115.2	Q91 S373	Q91-G375 PolarHBondContact NE2-O 3.34Å; S373-G375 VanDerWaalsContact C-N 3.34Å; S373-G375 PolarHBondContact OG-N 2.99Å
376	R	92.1	Very high	92.7	Very high	77 Å²	77	7 Å²	7	29%	0.291	3%	0.033	S	C	.	.	S	Bend	trans	-111.7	-56.3	165.9	172	-169	172.4	-169	-3.2	110.6	D374 D431 T432 R433	D374-R376 PolarHBondContact O-N 3.41Å; D374-R376 WeakPolarHBondContact OD1-CB 3.36Å; D374-R376 PolarHBondContact OD1-N 3.29Å; R376-D431 IonicContact CZ-OD1 2.83Å; R376-D431 IonicContact CZ-OD2 3.98Å; R376-D431 IonicContact NE-OD1 2.93Å; R376-D431 PolarHBondContact NE-OD1 2.89Å; R376-D431 IonicContact NE-OD2 2.94Å; R376-D431 VanDerWaalsContact NH2-CG 3.28Å; R376-D431 IonicContact NH2-OD1 3.66Å; R376-D431 PolarHBondContact NH2-OD1 3.46Å; R376-D431 IonicContact NH2-OD2 2.72Å; R376-D431 PolarHBondContact NH2-OD2 2.87Å; R376-T432 WeakPolarHBondContact O-CB 3.5Å; R376-T432 PolarHBondContact O-N 3.14Å; R376-T432 PolarHBondContact O-OG1 2.81Å; R376-R433 HydrophobicContact CG-CB 4.15Å
377	F	94.4	Very high	92.8	Very high	21 Å²	21	7.3 Å²	7.3	9%	0.092	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	141.2	176.7	-62	-75	0	0	0	108.9	I328 S373 D374 V429 I430 D431	I328-F377 HydrophobicContact CG2-CB 4.21Å; I328-F377 HydrophobicContact CG2-CD2 4.21Å; I328-F377 HydrophobicContact CG2-CG 4.33Å; S373-F377 WeakPolarHBondContact CA-O 3.31Å; S373-F377 VanDerWaalsContact CB-O 3.29Å; S373-F377 WeakPolarHBondContact CB-O 3.5Å; S373-F377 PolarHBondContact OG-O 2.73Å; D374-F377 PolarHBondContact N-O 2.94Å; D374-F377 WeakPolarHBondContact OD1-CD2 3.43Å; D374-F377 PolarHBondContact OD1-N 3.35Å; F377-V429 HydrophobicContact CB-CG1 4.19Å; F377-V429 HydrophobicContact CD1-CG1 3.67Å; F377-V429 HydrophobicContact CE1-CG1 4.43Å; F377-V429 HydrophobicContact CG-CG1 4.24Å; F377-I430 WeakPolarHBondContact CA-O 3.38Å; F377-D431 HydrophobicContact CD1-CB 3.87Å; F377-D431 HydrophobicContact CE1-CB 3.69Å
378	A	94.3	Very high	92.9	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.2	160.8	0	0	0	0	0	106.8	L47 A49 I242 M372 I430	L47-A378 HydrophobicContact CD1-CB 3.66Å; L47-A378 HydrophobicContact CD2-CB 3.83Å; L47-A378 HydrophobicContact CG-CB 4.38Å; A49-A378 HydrophobicContact CB-CB 4.21Å; I242-A378 HydrophobicContact CD1-CB 4.25Å; I242-A378 HydrophobicContact CG1-CB 4.4Å; I242-A378 HydrophobicContact CG2-CB 3.8Å; M372-A378 WeakPolarHBondContact O-CA 3.42Å; A378-I430 HydrophobicContact CB-CB 4.45Å; A378-I430 HydrophobicContact CB-CD1 4.34Å; A378-I430 PolarHBondContact N-O 2.82Å; A378-I430 PolarHBondContact O-N 2.88Å
379	A	94.8	Very high	92.7	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.008	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	154.8	-176.7	0	0	0	0	0	112.5	V371 M372 L427 M428 V429	V371-A379 CarbonylContact C-O 3.6Å; V371-A379 VanDerWaalsContact CA-O 3.29Å; V371-A379 WeakPolarHBondContact CA-O 3.32Å; M372-A379 HydrophobicContact CG-CB 3.71Å; M372-A379 PolarHBondContact N-O 3.34Å; M372-A379 PolarHBondContact O-N 3.06Å; M372-A379 HydrophobicContact SD-CB 4.1Å; A379-L427 HydrophobicContact CB-CD1 4.22Å; A379-M428 CarbonylContact C-O 3.58Å; A379-M428 WeakPolarHBondContact CA-O 3.5Å; A379-M428 WeakPolarHBondContact CB-O 3.42Å; A379-V429 HydrophobicContact CB-CB 4.4Å; A379-V429 HydrophobicContact CB-CG1 4.38Å; A379-V429 HydrophobicContact CB-CG2 4.02Å
380	C	95.2	Very high	92.7	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	130.7	171.6	-171.3	0	0	0	0	108.9	I370 V371 C402 V422 M428	I370-C380 CarbonylContact O-C 3.54Å; I370-C380 WeakPolarHBondContact O-CA 3.33Å; V371-C380 HydrophobicContact CG1-CB 4.05Å; C380-C402 VanDerWaalsContact SG-SG 3.66Å; C380-V422 HydrophobicContact CB-CG2 4.23Å; C380-M428 HydrophobicContact CB-CE 4.36Å; C380-M428 PolarHBondContact N-O 3.02Å; C380-M428 PolarHBondContact O-N 2.78Å
381	N	94.7	Very high	92.6	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.005	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	140.9	177.7	177.1	-133.5	0	0	0	109.4	M332 V336 I370 M372 E426 L427	M332-N381 WeakPolarHBondContact CE-OD1 3.49Å; V336-N381 WeakPolarHBondContact CB-OD1 3.16Å; I370-N381 PolarHBondContact N-O 2.84Å; I370-N381 PolarHBondContact O-N 2.59Å; M372-N381 HydrophobicContact CE-CB 3.93Å; N381-E426 WeakPolarHBondContact CA-O 3.26Å; N381-E426 PolarHBondContact ND2-O 2.99Å; N381-L427 HydrophobicContact CB-CD1 4.07Å
382	L	94.1	Very high	92.5	Very high	2 Å²	2	9.6 Å²	9.6	1%	0.01	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	154.1	165.9	-70.3	-164.4	0	0	0	111.8	A368 R388 A390 V422 G425 E426	A368-L382 CarbonylContact O-C 3.48Å; A368-L382 VanDerWaalsContact O-CA 3.31Å; A368-L382 WeakPolarHBondContact O-CA 3.24Å; L382-R388 VanDerWaalsContact CD1-O 3.29Å; L382-R388 WeakPolarHBondContact CD1-O 3.33Å; L382-A390 HydrophobicContact CD1-CB 4.33Å; L382-A390 HydrophobicContact CD2-CB 3.88Å; L382-A390 HydrophobicContact CG-CB 4.23Å; L382-V422 WeakPolarHBondContact CD1-O 3.3Å; L382-V422 HydrophobicContact CG-CB 4.36Å; L382-V422 HydrophobicContact CG-CG1 4.1Å; L382-G425 WeakPolarHBondContact O-CA 3.23Å; L382-E426 PolarHBondContact N-O 2.65Å
383	D	93.7	Very high	92.5	Very high	2 Å²	2	10 Å²	10	1%	0.011	5%	0.047	C	C	.	.			trans	-55.8	160.2	165.1	72.9	-97	0	0	0	112.5	G366 A368 N385 G386 L387 G425	G366-D383 WeakPolarHBondContact O-CB 3.48Å; A368-D383 HydrophobicContact CB-CB 4Å; A368-D383 PolarHBondContact N-OD1 2.88Å; A368-D383 PolarHBondContact O-N 3.45Å; D383-N385 PolarHBondContact O-N 3.03Å; D383-N385 VanDerWaalsContact OD2-CA 3.31Å; D383-N385 WeakPolarHBondContact OD2-CA 3.4Å; D383-N385 WeakPolarHBondContact OD2-CB 3.34Å; D383-N385 PolarHBondContact OD2-N 3.11Å; D383-G386 PolarHBondContact O-N 2.8Å; D383-G386 VanDerWaalsContact O-N 3.12Å; D383-G386 PolarHBondContact OD2-N 3.28Å; D383-L387 PolarHBondContact OD1-N 3.32Å; D383-L387 PolarHBondContact OD2-N 2.98Å; D383-G425 PolarHBondContact O-N 3.11Å
384	R	91.9	Very high	92.4	Very high	9 Å²	9	10.6 Å²	10.6	3%	0.034	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-17.5	-175.9	54.4	165	46	-133.4	-13.4	115.9	P337 P338 V557 S751	P337-R384 PolarHBondContact O-NH2 3.44Å; P338-R384 PolarHBondContact O-NH2 3.22Å; R384-V557 PolarHBondContact NH1-O 3.43Å; R384-S751 VanDerWaalsContact CD-OG 3.26Å; R384-S751 WeakPolarHBondContact CD-OG 3.35Å
385	N	89.6	Confident	92.5	Very high	6 Å²	6	10 Å²	10	3%	0.032	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-5.2	-175.1	-58.7	-31.2	0	0	0	112.4	D383 L387 I549 V557 S751 R1378	D383-N385 PolarHBondContact O-N 3.03Å; D383-N385 VanDerWaalsContact OD2-CA 3.31Å; D383-N385 WeakPolarHBondContact OD2-CA 3.4Å; D383-N385 WeakPolarHBondContact OD2-CB 3.34Å; D383-N385 PolarHBondContact OD2-N 3.11Å; N385-L387 HydrophobicContact CB-CD1 3.94Å; N385-L387 HydrophobicContact CB-CD2 4.17Å; N385-L387 HydrophobicContact CB-CG 3.74Å; N385-I549 VanDerWaalsContact ND2-CD1 3.28Å; N385-I549 WeakPolarHBondContact ND2-CD1 3.47Å; N385-V557 VanDerWaalsContact OD1-CB 3.24Å; N385-V557 WeakPolarHBondContact OD1-CB 3.49Å; N385-V557 WeakPolarHBondContact OD1-CG1 3.45Å; N385-V557 VanDerWaalsContact OD1-CG2 3.26Å; N385-V557 WeakPolarHBondContact OD1-CG2 3.32Å; N385-S751 PolarHBondContact ND2-OG 2.81Å; N385-R1378 PolarHBondContact O-NH1 3.42Å
386	G	89.8	Confident	92.6	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.01	7%	0.067	C	C	.	.			trans	57.9	47.6	-178.9	0	0	0	0	0	112.8	D383 R388	D383-G386 PolarHBondContact O-N 2.8Å; D383-G386 VanDerWaalsContact O-N 3.12Å; D383-G386 PolarHBondContact OD2-N 3.28Å; G386-R388 VanDerWaalsContact C-N 3.27Å; G386-R388 PolarHBondContact O-N 2.98Å
387	L	89.8	Confident	92.5	Very high	6 Å²	6	14.3 Å²	14.3	3%	0.031	7%	0.068	C	C	.	.			trans	-81.3	-5.8	-173.2	-62.2	168.9	0	0	0	113.1	P367 D383 N385 P547 Y1006	P367-L387 HydrophobicContact CB-CB 3.75Å; P367-L387 HydrophobicContact CB-CD1 4.31Å; P367-L387 HydrophobicContact CG-CB 4.11Å; P367-L387 HydrophobicContact CG-CD1 3.91Å; D383-L387 PolarHBondContact OD1-N 3.32Å; D383-L387 PolarHBondContact OD2-N 2.98Å; N385-L387 HydrophobicContact CB-CD1 3.94Å; N385-L387 HydrophobicContact CB-CD2 4.17Å; N385-L387 HydrophobicContact CB-CG 3.74Å; L387-P547 HydrophobicContact CD1-CG 3.99Å; L387-P547 HydrophobicContact CD2-CG 4.14Å; L387-Y1006 HydrophobicContact CB-CD2 4.24Å; L387-Y1006 HydrophobicContact CD2-CD1 4.43Å; L387-Y1006 HydrophobicContact CD2-CD2 4.1Å; L387-Y1006 HydrophobicContact CD2-CE1 4.13Å; L387-Y1006 HydrophobicContact CD2-CE2 3.78Å; L387-Y1006 HydrophobicContact CD2-CG 4.37Å; L387-Y1006 WeakPolarHBondContact O-CB 3.47Å; L387-Y1006 WeakPolarHBondContact O-CD2 3.46Å
388	R	90.4	Very high	92.5	Very high	2 Å²	2	18 Å²	18	1%	0.008	8%	0.084	C	C	.	.	S	Bend	trans	-121.9	140.5	172.6	-54.9	-54.5	-47.5	137.4	-18.7	110.6	N269 P367 L382 G386 S1007 E1009 D1010	N269-R388 PolarHBondContact ND2-NE 2.95Å; N269-R388 WeakPolarHBondContact O-CG 3.14Å; N269-R388 PolarHBondContact OD1-NE 3.41Å; N269-R388 PolarHBondContact OD1-NH2 3.46Å; P367-R388 HydrophobicContact CB-CG 4.06Å; L382-R388 VanDerWaalsContact CD1-O 3.29Å; L382-R388 WeakPolarHBondContact CD1-O 3.33Å; G386-R388 VanDerWaalsContact C-N 3.27Å; G386-R388 PolarHBondContact O-N 2.98Å; R388-S1007 PolarHBondContact NH1-OG 2.61Å; R388-S1007 PolarHBondContact NH2-OG 3.44Å; R388-E1009 IonicContact CZ-OE1 3.18Å; R388-E1009 IonicContact NE-OE1 2.73Å; R388-E1009 IonicContact NH2-OE1 2.76Å; R388-E1009 PolarHBondContact NH2-OE1 3.05Å; R388-D1010 IonicContact CZ-OD1 3.82Å; R388-D1010 IonicContact CZ-OD2 3.93Å; R388-D1010 IonicContact NH1-OD1 2.93Å; R388-D1010 IonicContact NH1-OD2 2.75Å; R388-D1010 PolarHBondContact NH1-OD2 2.83Å; R388-D1010 IonicContact NH2-OD1 3.2Å; R388-D1010 PolarHBondContact NH2-OD1 3.25Å; R388-D1010 IonicContact NH2-OD2 3.34Å
389	P	87	Confident	92.5	Very high	7 Å²	7	18.1 Å²	18.1	5%	0.045	8%	0.084	C	C	.	.			trans	-72.8	144.9	177.4	30.6	-34.7	0	0	0	111.4	F45 S404	F45-P389 WeakPolarHBondContact CE1-O 3.46Å; P389-S404 WeakPolarHBondContact CB-O 3.44Å; P389-S404 WeakPolarHBondContact CG-O 3.47Å; P389-S404 WeakPolarHBondContact O-CA 3.29Å
390	A	92.2	Very high	92.5	Very high	3 Å²	3	18.1 Å²	18.1	3%	0.025	8%	0.084	C	C	.	.			trans	-144.7	110	171	0	0	0	0	0	109.6	F45 L382 R421 V422	F45-A390 HydrophobicContact CZ-CB 4.15Å; L382-A390 HydrophobicContact CD1-CB 4.33Å; L382-A390 HydrophobicContact CD2-CB 3.88Å; L382-A390 HydrophobicContact CG-CB 4.23Å; A390-R421 CarbonylContact O-C 3.51Å; A390-R421 WeakPolarHBondContact O-CA 3.48Å; A390-R421 WeakPolarHBondContact O-CB 3.41Å; A390-V422 HydrophobicContact CB-CB 3.95Å; A390-V422 HydrophobicContact CB-CG2 4.36Å; A390-V422 PolarHBondContact O-N 3.35Å
391	R	92.5	Very high	92.5	Very high	13 Å²	13	18.4 Å²	18.4	5%	0.049	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	140.2	-178.7	-57.9	-63.7	-74.9	-138.8	-14.9	109.7	C402 A403 V406 S1354 I1356	R391-C402 CarbonylContact O-C 3.41Å; R391-C402 VanDerWaalsContact O-CA 3.26Å; R391-C402 WeakPolarHBondContact O-CA 3.34Å; R391-A403 PolarHBondContact N-O 3.33Å; R391-A403 PolarHBondContact O-N 3.32Å; R391-V406 HydrophobicContact CB-CB 4.4Å; R391-S1354 VanDerWaalsContact CZ-CB 3.46Å; R391-S1354 VanDerWaalsContact NH2-C 3.27Å; R391-S1354 VanDerWaalsContact NH2-CB 3.29Å; R391-S1354 PolarHBondContact NH2-O 2.86Å; R391-S1354 VanDerWaalsContact NH2-O 3.14Å; R391-I1356 PolarHBondContact NH1-O 3.45Å; R391-I1356 PolarHBondContact NH2-O 3.13Å
392	Y	93.7	Very high	92.5	Very high	25 Å²	25	18.4 Å²	18.4	10%	0.098	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	152.4	174.7	70.5	-103.5	0	0	0	114.2	I394 T401 E418 K419 G420 R421 M428	Y392-I394 HydrophobicContact CD2-CG1 4.36Å; Y392-I394 HydrophobicContact CE2-CD1 4.48Å; Y392-T401 CarbonylContact C-O 3.58Å; Y392-T401 WeakPolarHBondContact CA-O 3.16Å; Y392-T401 VanDerWaalsContact CB-O 3.27Å; Y392-T401 WeakPolarHBondContact CB-O 3.15Å; Y392-E418 HydrophobicContact CE2-CG 4.42Å; Y392-E418 WeakPolarHBondContact CE2-OE1 3.3Å; Y392-E418 PolarHBondContact OH-OE1 2.92Å; Y392-K419 WeakPolarHBondContact O-CA 3.41Å; Y392-G420 PolarHBondContact N-O 3.07Å; Y392-G420 PolarHBondContact O-N 3.11Å; Y392-R421 WeakPolarHBondContact CE1-O 3.41Å; Y392-M428 HydrophobicContact CD1-CE 4Å; Y392-M428 HydrophobicContact CD1-SD 3.86Å; Y392-M428 HydrophobicContact CE1-SD 4Å; Y392-M428 HydrophobicContact CG-CE 4.28Å; Y392-M428 HydrophobicContact CG-SD 4.31Å
393	V	94.3	Very high	92.5	Very high	9 Å²	9	18.4 Å²	18.4	6%	0.055	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	131.3	176.8	-175.8	0	0	0	0	108.3	T395 I400 T401 V406 Y411 V416 E418 K419	V393-T395 HydrophobicContact CG1-CG2 4.47Å; V393-I400 WeakPolarHBondContact O-CA 3.21Å; V393-T401 PolarHBondContact N-O 2.96Å; V393-T401 PolarHBondContact O-N 3.22Å; V393-V406 HydrophobicContact CG2-CG2 4.07Å; V393-Y411 HydrophobicContact CG1-CE1 4.38Å; V393-V416 HydrophobicContact CG1-CG1 3.83Å; V393-V416 HydrophobicContact CG1-CG2 4.06Å; V393-E418 WeakPolarHBondContact CA-O 3.4Å; V393-K419 HydrophobicContact CG1-CG 4.43Å; V393-K419 HydrophobicContact CG2-CG 4.34Å
394	I	94.2	Very high	92.2	Very high	14 Å²	14	18.3 Å²	18.3	7%	0.072	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	134.4	173.3	-56.5	174.4	0	0	0	108.9	I51 Y392 L399 I400 V417 E418 I437	I51-I394 HydrophobicContact CD1-CG2 3.89Å; Y392-I394 HydrophobicContact CD2-CG1 4.36Å; Y392-I394 HydrophobicContact CE2-CD1 4.48Å; I394-L399 WeakPolarHBondContact CA-O 3.03Å; I394-I400 HydrophobicContact CD1-CD1 4.17Å; I394-I400 HydrophobicContact CG1-CB 4.24Å; I394-I400 HydrophobicContact CG1-CD1 3.98Å; I394-I400 HydrophobicContact CG1-CG1 3.99Å; I394-V417 PolarHBondContact O-N 2.8Å; I394-E418 HydrophobicContact CB-CB 4.07Å; I394-E418 HydrophobicContact CD1-CB 4.21Å; I394-E418 HydrophobicContact CG1-CB 4.38Å; I394-E418 PolarHBondContact N-O 3.09Å; I394-E418 PolarHBondContact O-N 3.26Å; I394-I437 HydrophobicContact CD1-CD1 3.52Å
395	T	93.8	Very high	92.2	Very high	2 Å²	2	18 Å²	18	1%	0.012	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	161	-175.4	46.1	0	0	0	0	112.6	V393 D397 K398 L399 W409 E415	V393-T395 HydrophobicContact CG1-CG2 4.47Å; T395-D397 WeakPolarHBondContact CB-OD1 3.16Å; T395-D397 PolarHBondContact O-N 2.85Å; T395-D397 PolarHBondContact OG1-OD1 3.31Å; T395-K398 PolarHBondContact O-N 2.96Å; T395-L399 PolarHBondContact N-O 3.34Å; T395-L399 WeakPolarHBondContact OG1-CB 3.16Å; T395-L399 PolarHBondContact OG1-O 3.32Å; T395-W409 HydrophobicContact CG2-CH2 4.32Å; T395-W409 HydrophobicContact CG2-CZ2 4.3Å; T395-E415 CarbonylContact C-O 3.54Å; T395-E415 WeakPolarHBondContact CA-O 3.34Å
396	K	92	Very high	92.4	Very high	119 Å²	119	18.1 Å²	18.1	52%	0.517	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-33.1	-178.8	-80.4	177.5	176.5	155.4	0	113.1	K398 D414 E415 V417	K396-K398 PolarHBondContact O-N 3.43Å; K396-D414 WeakPolarHBondContact CE-O 3.37Å; K396-D414 PolarHBondContact NZ-O 3.31Å; K396-D414 IonicContact NZ-OD2 2.7Å; K396-D414 PolarHBondContact NZ-OD2 3Å; K396-E415 PolarHBondContact N-O 2.92Å; K396-V417 HydrophobicContact CG-CG2 3.98Å
397	D	90.8	Very high	92.5	Very high	57 Å²	57	18.3 Å²	18.3	31%	0.305	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	25.8	175.6	68.6	-36	0	0	0	113.4	H50 K58 T395 L399	H50-D397 PolarHBondContact NE2-O 3.11Å; K58-D397 IonicContact NZ-OD2 3.36Å; K58-D397 PolarHBondContact NZ-OD2 3.2Å; T395-D397 WeakPolarHBondContact CB-OD1 3.16Å; T395-D397 PolarHBondContact O-N 2.85Å; T395-D397 PolarHBondContact OG1-OD1 3.31Å; D397-L399 PolarHBondContact O-N 3.46Å; D397-L399 WeakPolarHBondContact OD2-CD1 3.12Å
398	K	93.5	Very high	92.7	Very high	99 Å²	99	18.2 Å²	18.2	43%	0.43	9%	0.087	S	C	.	.	S	Bend	trans	60	18.8	171	-54.7	-62.2	-168.7	173.5	0	115	I51 T395 K396	I51-K398 HydrophobicContact CB-CB 4.46Å; I51-K398 VanDerWaalsContact CG1-O 3.32Å; I51-K398 WeakPolarHBondContact CG1-O 3.14Å; I51-K398 PolarHBondContact N-O 3.15Å; T395-K398 PolarHBondContact O-N 2.96Å; K396-K398 PolarHBondContact O-N 3.43Å
399	L	94.8	Very high	92.7	Very high	3 Å²	3	19 Å²	19	2%	0.016	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	128	167.1	-59.8	177	0	0	0	109.6	A49 H50 K58 V59 I394 T395 D397	A49-L399 WeakPolarHBondContact O-CA 3.17Å; H50-L399 HydrophobicContact CB-CD2 4.1Å; K58-L399 HydrophobicContact CD-CD1 4.16Å; V59-L399 HydrophobicContact CG2-CD2 3.67Å; I394-L399 WeakPolarHBondContact CA-O 3.03Å; T395-L399 PolarHBondContact N-O 3.34Å; T395-L399 WeakPolarHBondContact OG1-CB 3.16Å; T395-L399 PolarHBondContact OG1-O 3.32Å; D397-L399 PolarHBondContact O-N 3.46Å; D397-L399 WeakPolarHBondContact OD2-CD1 3.12Å
400	I	94.8	Very high	92.8	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128.3	163.3	-176.1	163.5	0	0	0	108.9	I48 A49 I51 V393 I394 M428 I430 I437	I48-I400 WeakPolarHBondContact CA-O 3.44Å; A49-I400 HydrophobicContact CB-CG2 4.05Å; A49-I400 PolarHBondContact N-O 3Å; A49-I400 WeakPolarHBondContact O-CG2 3.39Å; A49-I400 PolarHBondContact O-N 3.05Å; I51-I400 HydrophobicContact CD1-CB 4.39Å; I51-I400 HydrophobicContact CG1-CB 4.22Å; I51-I400 HydrophobicContact CG1-CG2 3.97Å; V393-I400 WeakPolarHBondContact O-CA 3.21Å; I394-I400 HydrophobicContact CD1-CD1 4.17Å; I394-I400 HydrophobicContact CG1-CB 4.24Å; I394-I400 HydrophobicContact CG1-CD1 3.98Å; I394-I400 HydrophobicContact CG1-CG1 3.99Å; I400-M428 HydrophobicContact CD1-CE 4.07Å; I400-M428 HydrophobicContact CD1-SD 4.11Å; I400-I430 HydrophobicContact CD1-CD1 4.11Å; I400-I430 HydrophobicContact CD1-CG1 4.23Å; I400-I430 HydrophobicContact CG2-CD1 3.95Å; I400-I430 HydrophobicContact CG2-CG1 4.08Å; I400-I437 HydrophobicContact CD1-CD1 3.92Å
401	T	95	Very high	92.7	Very high	6 Å²	6	24.8 Å²	24.8	4%	0.037	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	130.9	169.7	-56.5	0	0	0	0	107.6	L47 I48 Y392 V393 I408 W409	L47-T401 CarbonylContact O-C 3.57Å; L47-T401 WeakPolarHBondContact O-CA 3.43Å; I48-T401 HydrophobicContact CD1-CG2 4.46Å; I48-T401 HydrophobicContact CG1-CG2 3.84Å; Y392-T401 CarbonylContact C-O 3.58Å; Y392-T401 WeakPolarHBondContact CA-O 3.16Å; Y392-T401 VanDerWaalsContact CB-O 3.27Å; Y392-T401 WeakPolarHBondContact CB-O 3.15Å; V393-T401 PolarHBondContact N-O 2.96Å; V393-T401 PolarHBondContact O-N 3.22Å; T401-I408 HydrophobicContact CG2-CD1 3.47Å; T401-I408 VanDerWaalsContact CG2-CD1 3.47Å; T401-I408 HydrophobicContact CG2-CG1 4.22Å; T401-W409 PolarHBondContact OG1-NE1 2.94Å
402	C	94.9	Very high	92.4	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	120.4	172.8	-174.5	0	0	0	0	109.1	G46 L47 C380 R391 M428	G46-C402 CarbonylContact C-O 3.44Å; G46-C402 WeakPolarHBondContact CA-O 3.33Å; L47-C402 HydrophobicContact CB-CB 4.5Å; L47-C402 PolarHBondContact N-O 2.98Å; L47-C402 PolarHBondContact O-N 3.17Å; C380-C402 VanDerWaalsContact SG-SG 3.66Å; R391-C402 CarbonylContact O-C 3.41Å; R391-C402 VanDerWaalsContact O-CA 3.26Å; R391-C402 WeakPolarHBondContact O-CA 3.34Å; C402-M428 HydrophobicContact CB-CE 4.04Å
403	A	93.9	Very high	92	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.008	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	172.2	-174.7	0	0	0	0	0	112.3	F45 F245 R391 E405 I408	F45-A403 WeakPolarHBondContact O-CA 3.4Å; F245-A403 HydrophobicContact CZ-CB 4.18Å; R391-A403 PolarHBondContact N-O 3.33Å; R391-A403 PolarHBondContact O-N 3.32Å; A403-E405 PolarHBondContact O-N 3.49Å; A403-I408 HydrophobicContact CB-CD1 3.43Å; A403-I408 VanDerWaalsContact CB-CD1 3.43Å; A403-I408 HydrophobicContact CB-CG1 4.43Å
404	S	88.5	Confident	91.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-61.6	-25.6	176.3	-43.3	0	0	0	0	113.8	F45 R73 P389	F45-S404 WeakPolarHBondContact CD1-OG 3.46Å; F45-S404 VanDerWaalsContact CE1-OG 3.26Å; F45-S404 WeakPolarHBondContact CE1-OG 3.43Å; F45-S404 PolarHBondContact N-OG 3.27Å; F45-S404 VanDerWaalsContact N-OG 3.11Å; F45-S404 PolarHBondContact O-N 2.77Å; F45-S404 PolarHBondContact O-OG 2.72Å; R73-S404 PolarHBondContact NH1-OG 2.81Å; P389-S404 WeakPolarHBondContact CB-O 3.44Å; P389-S404 WeakPolarHBondContact CG-O 3.47Å; P389-S404 WeakPolarHBondContact O-CA 3.29Å
405	E	91.9	Very high	91.4	Very high	3 Å²	3	36.9 Å²	36.9	1%	0.014	18%	0.181	C	C	.	.	S	Bend	trans	-134.3	153.2	-179.7	-71.4	-177.3	-173.1	0	0	111.3	H72 R73 A403 I408 N1270 Q1307 N1326	H72-E405 IonicContact CD2-OE1 2.7Å; H72-E405 IonicContact CE1-OE1 2.76Å; H72-E405 IonicContact CE1-OE2 3.91Å; H72-E405 PolarHBondContact CE1-OE2 2.78Å; H72-E405 VanDerWaalsContact NE2-CD 3.35Å; H72-E405 IonicContact NE2-OE1 2.71Å; H72-E405 PolarHBondContact NE2-OE1 2.77Å; H72-E405 IonicContact NE2-OE2 3.88Å; H72-E405 PolarHBondContact NE2-OE2 3.3Å; H72-E405 VanDerWaalsContact NE2-OE2 3.11Å; R73-E405 WeakPolarHBondContact CD-OE1 3.49Å; R73-E405 IonicContact NE-OE1 3.58Å; A403-E405 PolarHBondContact O-N 3.49Å; E405-I408 HydrophobicContact CB-CG2 4.25Å; E405-N1270 PolarHBondContact OE2-ND2 2.81Å; E405-Q1307 PolarHBondContact OE1-NE2 3.28Å; E405-N1326 WeakPolarHBondContact CA-OD1 3.19Å; E405-N1326 VanDerWaalsContact CB-OD1 3.31Å; E405-N1326 WeakPolarHBondContact CB-OD1 3.4Å
406	V	93.1	Very high	91.3	Very high	8 Å²	8	36.8 Å²	36.8	5%	0.048	18%	0.181	C	C	.	.	S	Bend	trans	-89.4	157	166	65	0	0	0	0	110.3	R391 V393 Y411 N1270 T1304 D1324 N1326	R391-V406 HydrophobicContact CB-CB 4.4Å; V393-V406 HydrophobicContact CG2-CG2 4.07Å; V406-Y411 WeakPolarHBondContact CG2-OH 3.44Å; V406-N1270 VanDerWaalsContact O-CB 3.32Å; V406-N1270 WeakPolarHBondContact O-CB 3.45Å; V406-T1304 HydrophobicContact CG1-CG2 3.95Å; V406-T1304 WeakPolarHBondContact O-CG2 3.09Å; V406-D1324 WeakPolarHBondContact CG2-OD2 2.99Å; V406-N1326 PolarHBondContact N-OD1 2.84Å; V406-N1326 PolarHBondContact O-ND2 3.19Å
407	G	92.4	Very high	91.2	Very high	5 Å²	5	34.6 Å²	34.6	5%	0.052	18%	0.177	C	C	.	.			trans	86.3	5.1	-177.7	0	0	0	0	0	115.5	R69 W409 N1270	R69-G407 PolarHBondContact NH1-O 2.71Å; G407-W409 PolarHBondContact O-N 3.25Å; G407-W409 VanDerWaalsContact O-N 3.12Å; G407-N1270 PolarHBondContact O-OD1 2.9Å
408	I	92.5	Very high	91.3	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.021	18%	0.18	C	C	.	.	S	Bend	trans	-63.3	-13.3	-178.3	50.9	156.7	0	0	0	115.1	A66 R69 M70 F245 T401 A403 E405	A66-I408 WeakPolarHBondContact CA-O 3.16Å; A66-I408 HydrophobicContact CB-CB 4.03Å; A66-I408 HydrophobicContact CB-CD1 3.64Å; A66-I408 HydrophobicContact CB-CG1 4.24Å; R69-I408 HydrophobicContact CB-CB 4.43Å; R69-I408 HydrophobicContact CB-CG2 4.48Å; R69-I408 VanDerWaalsContact CD-O 3.25Å; R69-I408 WeakPolarHBondContact CD-O 3.45Å; R69-I408 WeakPolarHBondContact CG-O 3.33Å; M70-I408 HydrophobicContact CG-CG2 3.95Å; M70-I408 HydrophobicContact SD-CG2 4.43Å; F245-I408 HydrophobicContact CE2-CD1 4.44Å; F245-I408 HydrophobicContact CZ-CD1 3.86Å; T401-I408 HydrophobicContact CG2-CD1 3.47Å; T401-I408 VanDerWaalsContact CG2-CD1 3.47Å; T401-I408 HydrophobicContact CG2-CG1 4.22Å; A403-I408 HydrophobicContact CB-CD1 3.43Å; A403-I408 VanDerWaalsContact CB-CD1 3.43Å; A403-I408 HydrophobicContact CB-CG1 4.43Å; E405-I408 HydrophobicContact CB-CG2 4.25Å
409	W	91.8	Very high	91.1	Very high	20 Å²	20	31.8 Å²	31.8	8%	0.076	16%	0.164	C	C	.	.	S	Bend	trans	-151.6	165.9	166.8	67.5	-83.1	0	0	0	110.7	T62 T395 T401 G407 Y411	T62-W409 HydrophobicContact CG2-CB 3.87Å; T62-W409 HydrophobicContact CG2-CD2 3.44Å; T62-W409 VanDerWaalsContact CG2-CD2 3.44Å; T62-W409 HydrophobicContact CG2-CE3 3.98Å; T62-W409 HydrophobicContact CG2-CG 3.38Å; T395-W409 HydrophobicContact CG2-CH2 4.32Å; T395-W409 HydrophobicContact CG2-CZ2 4.3Å; T401-W409 PolarHBondContact OG1-NE1 2.94Å; G407-W409 PolarHBondContact O-N 3.25Å; G407-W409 VanDerWaalsContact O-N 3.12Å; W409-Y411 HydrophobicContact CD2-CD1 4.05Å; W409-Y411 AromaticContact CE2-CD1 3.87Å; W409-Y411 HydrophobicContact CE3-CD1 4.35Å; W409-Y411 HydrophobicContact CH2-CD1 4.32Å; W409-Y411 HydrophobicContact CZ2-CD1 4.03Å; W409-Y411 HydrophobicContact CZ3-CD1 4.48Å; W409-Y411 WeakPolarHBondContact O-CD1 3.35Å; W409-Y411 WeakPolarHBondContact O-CE1 3.31Å
410	D	89	Confident	90.9	Very high	97 Å²	97	31.9 Å²	31.9	52%	0.519	17%	0.165	S	C	.	.			trans	-90.2	119.8	-174.2	-51.9	-46.7	0	0	0	112.4	H65 R69	H65-D410 IonicContact CE1-OD2 2.73Å; R69-D410 IonicContact CZ-OD1 2.72Å; R69-D410 IonicContact CZ-OD2 3.34Å; R69-D410 IonicContact NH1-OD1 2.75Å; R69-D410 PolarHBondContact NH1-OD1 3.29Å; R69-D410 IonicContact NH2-OD1 3.17Å; R69-D410 PolarHBondContact NH2-OD1 2.96Å; R69-D410 IonicContact NH2-OD2 3.36Å; R69-D410 PolarHBondContact NH2-OD2 2.99Å
411	Y	89	Confident	90.8	Very high	33 Å²	33	33.5 Å²	33.5	13%	0.129	17%	0.171	C	C	.	.			trans	-130.5	152.4	171.6	43.7	-101.4	0	0	0	109.6	V393 V406 W409 V416	V393-Y411 HydrophobicContact CG1-CE1 4.38Å; V406-Y411 WeakPolarHBondContact CG2-OH 3.44Å; W409-Y411 HydrophobicContact CD2-CD1 4.05Å; W409-Y411 AromaticContact CE2-CD1 3.87Å; W409-Y411 HydrophobicContact CE3-CD1 4.35Å; W409-Y411 HydrophobicContact CH2-CD1 4.32Å; W409-Y411 HydrophobicContact CZ2-CD1 4.03Å; W409-Y411 HydrophobicContact CZ3-CD1 4.48Å; W409-Y411 WeakPolarHBondContact O-CD1 3.35Å; W409-Y411 WeakPolarHBondContact O-CE1 3.31Å; Y411-V416 HydrophobicContact CD2-CG2 3.46Å; Y411-V416 VanDerWaalsContact CD2-CG2 3.46Å; Y411-V416 HydrophobicContact CE2-CG2 3.79Å; Y411-V416 HydrophobicContact CG-CG2 4.25Å
412	Q	87.4	Confident	90.6	Very high	117 Å²	117	33.4 Å²	33.4	55%	0.547	17%	0.171	S	C	.	.			trans	-78.8	149.1	174.2	-62.5	-56.6	-48.7	0	0	111.2	D414 E415	Q412-D414 WeakPolarHBondContact CB-OD1 3.43Å; Q412-D414 PolarHBondContact O-N 3.48Å; Q412-E415 HydrophobicContact CB-CG 4.05Å; Q412-E415 PolarHBondContact N-OE2 2.74Å; Q412-E415 WeakPolarHBondContact O-CB 3.15Å; Q412-E415 PolarHBondContact O-N 2.9Å
413	P	84.4	Confident	90.3	Very high	47 Å²	47	33.4 Å²	33.4	31%	0.305	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-59.9	-32.6	-178.2	-25.3	34.9	0	0	0	114.1	E415 V416 P1343	P413-E415 VanDerWaalsContact C-N 3.33Å; P413-V416 PolarHBondContact O-N 3.44Å; P413-P1343 HydrophobicContact CB-CB 3.68Å; P413-P1343 HydrophobicContact CB-CG 3.89Å; P413-P1343 HydrophobicContact CG-CB 3.72Å; P413-P1343 HydrophobicContact CG-CG 3.83Å
414	D	87	Confident	90.2	Very high	80 Å²	80	34.6 Å²	34.6	43%	0.428	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-78.1	-17.6	177.2	81.4	-70.4	0	0	0	112.5	K396 Q412 V416	K396-D414 WeakPolarHBondContact CE-O 3.37Å; K396-D414 PolarHBondContact NZ-O 3.31Å; K396-D414 IonicContact NZ-OD2 2.7Å; K396-D414 PolarHBondContact NZ-OD2 3Å; Q412-D414 WeakPolarHBondContact CB-OD1 3.43Å; Q412-D414 PolarHBondContact O-N 3.48Å; D414-V416 VanDerWaalsContact C-N 3.25Å; D414-V416 PolarHBondContact O-N 2.97Å
415	E	89.1	Confident	90.3	Very high	71 Å²	71	34.7 Å²	34.7	33%	0.332	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-72.2	-20.2	172.8	-69.6	177	138.2	0	0	112.3	T395 K396 Q412 P413	T395-E415 CarbonylContact C-O 3.54Å; T395-E415 WeakPolarHBondContact CA-O 3.34Å; K396-E415 PolarHBondContact N-O 2.92Å; Q412-E415 HydrophobicContact CB-CG 4.05Å; Q412-E415 PolarHBondContact N-OE2 2.74Å; Q412-E415 WeakPolarHBondContact O-CB 3.15Å; Q412-E415 PolarHBondContact O-N 2.9Å; P413-E415 VanDerWaalsContact C-N 3.33Å
416	V	91.3	Very high	90.4	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	120.9	-176.7	-176.3	0	0	0	0	111.2	V393 Y411 P413 D414 K419 F1348	V393-V416 HydrophobicContact CG1-CG1 3.83Å; V393-V416 HydrophobicContact CG1-CG2 4.06Å; Y411-V416 HydrophobicContact CD2-CG2 3.46Å; Y411-V416 VanDerWaalsContact CD2-CG2 3.46Å; Y411-V416 HydrophobicContact CE2-CG2 3.79Å; Y411-V416 HydrophobicContact CG-CG2 4.25Å; P413-V416 PolarHBondContact O-N 3.44Å; D414-V416 VanDerWaalsContact C-N 3.25Å; D414-V416 PolarHBondContact O-N 2.97Å; V416-K419 HydrophobicContact CG1-CD 4.37Å; V416-K419 HydrophobicContact CG1-CG 3.68Å; V416-F1348 HydrophobicContact CB-CE1 4.25Å; V416-F1348 HydrophobicContact CG1-CD1 4.02Å; V416-F1348 HydrophobicContact CG1-CE1 3.9Å
417	V	91.2	Very high	90.4	Very high	73 Å²	73	38.3 Å²	38.3	44%	0.442	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-40.6	175.3	179.8	0	0	0	0	110.7	I394 K396	I394-V417 PolarHBondContact O-N 2.8Å; K396-V417 HydrophobicContact CG-CG2 3.98Å
418	E	91.3	Very high	90.5	Very high	75 Å²	75	38.3 Å²	38.3	35%	0.35	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	146.2	-172.7	-162	-178.8	135.7	0	0	111.1	Y392 V393 I394	Y392-E418 HydrophobicContact CE2-CG 4.42Å; Y392-E418 WeakPolarHBondContact CE2-OE1 3.3Å; Y392-E418 PolarHBondContact OH-OE1 2.92Å; V393-E418 WeakPolarHBondContact CA-O 3.4Å; I394-E418 HydrophobicContact CB-CB 4.07Å; I394-E418 HydrophobicContact CD1-CB 4.21Å; I394-E418 HydrophobicContact CG1-CB 4.38Å; I394-E418 PolarHBondContact N-O 3.09Å; I394-E418 PolarHBondContact O-N 3.26Å
419	K	91	Very high	90.7	Very high	22 Å²	22	38.1 Å²	38.1	10%	0.096	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	131.2	169.8	-64.2	-171.7	179.6	179.5	0	110.2	Y392 V393 V416 D1324 F1348 A1353 S1354	Y392-K419 WeakPolarHBondContact O-CA 3.41Å; V393-K419 HydrophobicContact CG1-CG 4.43Å; V393-K419 HydrophobicContact CG2-CG 4.34Å; V416-K419 HydrophobicContact CG1-CD 4.37Å; V416-K419 HydrophobicContact CG1-CG 3.68Å; K419-D1324 IonicContact NZ-OD2 3.38Å; K419-D1324 PolarHBondContact NZ-OD2 2.78Å; K419-F1348 HydrophobicContact CD-CE1 4.3Å; K419-F1348 HydrophobicContact CD-CZ 4.2Å; K419-F1348 HydrophobicContact CG-CE1 4.36Å; K419-A1353 HydrophobicContact CB-CB 4.32Å; K419-A1353 WeakPolarHBondContact O-CA 3.43Å; K419-S1354 PolarHBondContact O-N 2.86Å
420	G	90.2	Very high	90.9	Very high	5 Å²	5	37.2 Å²	37.2	5%	0.052	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	-157	178.2	0	0	0	0	0	113	Y392	Y392-G420 PolarHBondContact N-O 3.07Å; Y392-G420 PolarHBondContact O-N 3.11Å
421	R	91.5	Very high	91.2	Very high	34 Å²	34	33 Å²	33	13%	0.128	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	160.9	-174.8	65.6	-174.5	-164.1	133.5	31.1	110	A390 Y392 G1376 E1377 G1394	A390-R421 CarbonylContact O-C 3.51Å; A390-R421 WeakPolarHBondContact O-CA 3.48Å; A390-R421 WeakPolarHBondContact O-CB 3.41Å; Y392-R421 WeakPolarHBondContact CE1-O 3.41Å; R421-G1376 VanDerWaalsContact NH1-CA 3.27Å; R421-E1377 IonicContact CZ-OE1 2.97Å; R421-E1377 IonicContact CZ-OE2 2.68Å; R421-E1377 IonicContact NH1-OE1 2.68Å; R421-E1377 PolarHBondContact NH1-OE1 3.33Å; R421-E1377 IonicContact NH1-OE2 3.73Å; R421-E1377 PolarHBondContact NH1-OE2 2.7Å; R421-E1377 IonicContact NH2-OE1 2.64Å; R421-E1377 PolarHBondContact NH2-OE1 3.33Å; R421-G1394 VanDerWaalsContact NH2-CA 3.33Å
422	V	91.4	Very high	91.4	Very high	4 Å²	4	32 Å²	32	2%	0.024	17%	0.166	C	C	.	.			trans	-101.4	128.2	164.8	-174.7	0	0	0	0	106.9	C380 L382 A390 E426 M428	C380-V422 HydrophobicContact CB-CG2 4.23Å; L382-V422 WeakPolarHBondContact CD1-O 3.3Å; L382-V422 HydrophobicContact CG-CB 4.36Å; L382-V422 HydrophobicContact CG-CG1 4.1Å; A390-V422 HydrophobicContact CB-CB 3.95Å; A390-V422 HydrophobicContact CB-CG2 4.36Å; A390-V422 PolarHBondContact O-N 3.35Å; V422-E426 HydrophobicContact CG1-CB 3.61Å; V422-M428 HydrophobicContact CG2-CB 4.18Å; V422-M428 HydrophobicContact CG2-CE 4.16Å
423	G	89.2	Confident	91.6	Very high	1 Å²	1	36 Å²	36	1%	0.01	18%	0.176	C	C	.	.			trans	-97.3	-177.6	-177.9	0	0	0	0	0	114.5	G425 E426	G423-G425 PolarHBondContact O-N 2.87Å; G423-E426 PolarHBondContact N-OE2 2.85Å; G423-E426 WeakPolarHBondContact O-CB 3.29Å; G423-E426 PolarHBondContact O-N 2.63Å
424	P	90.7	Very high	92	Very high	26 Å²	26	36.7 Å²	36.7	17%	0.169	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	121.6	-179.4	-27.9	35.7	0	0	0	113.3	E426 E1377 D1395	P424-E426 PolarHBondContact O-N 3.34Å; P424-E426 VanDerWaalsContact O-N 3.16Å; P424-E1377 WeakPolarHBondContact CD-OE1 3.25Å; P424-E1377 HydrophobicContact CG-CG 4.02Å; P424-D1395 HydrophobicContact CG-CB 4.37Å; P424-D1395 WeakPolarHBondContact CG-OD2 3.43Å
425	G	91.2	Very high	92.2	Very high	3 Å²	3	34.2 Å²	34.2	3%	0.031	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	9.6	-179.3	0	0	0	0	0	115.4	R333 L382 D383 G423	R333-G425 PolarHBondContact NH1-O 3.37Å; L382-G425 WeakPolarHBondContact O-CA 3.23Å; D383-G425 PolarHBondContact O-N 3.11Å; G423-G425 PolarHBondContact O-N 2.87Å
426	E	93	Very high	92.5	Very high	83 Å²	83	36.7 Å²	36.7	39%	0.388	18%	0.182	S	C	.	.			trans	-76.7	156.8	178.2	-70.2	-169.6	154.7	0	0	112.6	N381 L382 V422 G423 P424 S440	N381-E426 WeakPolarHBondContact CA-O 3.26Å; N381-E426 PolarHBondContact ND2-O 2.99Å; L382-E426 PolarHBondContact N-O 2.65Å; V422-E426 HydrophobicContact CG1-CB 3.61Å; G423-E426 PolarHBondContact N-OE2 2.85Å; G423-E426 WeakPolarHBondContact O-CB 3.29Å; G423-E426 PolarHBondContact O-N 2.63Å; P424-E426 PolarHBondContact O-N 3.34Å; P424-E426 VanDerWaalsContact O-N 3.16Å; E426-S440 WeakPolarHBondContact CA-OG 3.32Å; E426-S440 WeakPolarHBondContact CB-OG 3.33Å
427	L	94.4	Very high	92.5	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	117.6	176.1	175.5	55.4	0	0	0	108.7	I329 R333 A379 N381 V429 S440	I329-L427 HydrophobicContact CB-CD2 4.45Å; I329-L427 HydrophobicContact CG2-CD2 3.68Å; R333-L427 HydrophobicContact CG-CD2 4.38Å; A379-L427 HydrophobicContact CB-CD1 4.22Å; N381-L427 HydrophobicContact CB-CD1 4.07Å; L427-V429 HydrophobicContact CD1-CG2 3.89Å; L427-V429 HydrophobicContact CD2-CG2 4.31Å; L427-V429 HydrophobicContact CG-CG2 3.8Å; L427-S440 PolarHBondContact N-OG 2.82Å; L427-S440 PolarHBondContact O-N 3.47Å; L427-S440 VanDerWaalsContact O-N 3.1Å; L427-S440 PolarHBondContact O-OG 3.43Å
428	M	94.9	Very high	92.6	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.025	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127.8	172.8	-179.6	176.9	65.8	0	0	108.9	A379 C380 Y392 I400 C402 V422 I437	A379-M428 CarbonylContact C-O 3.58Å; A379-M428 WeakPolarHBondContact CA-O 3.5Å; A379-M428 WeakPolarHBondContact CB-O 3.42Å; C380-M428 HydrophobicContact CB-CE 4.36Å; C380-M428 PolarHBondContact N-O 3.02Å; C380-M428 PolarHBondContact O-N 2.78Å; Y392-M428 HydrophobicContact CD1-CE 4Å; Y392-M428 HydrophobicContact CD1-SD 3.86Å; Y392-M428 HydrophobicContact CE1-SD 4Å; Y392-M428 HydrophobicContact CG-CE 4.28Å; Y392-M428 HydrophobicContact CG-SD 4.31Å; I400-M428 HydrophobicContact CD1-CE 4.07Å; I400-M428 HydrophobicContact CD1-SD 4.11Å; C402-M428 HydrophobicContact CB-CE 4.04Å; V422-M428 HydrophobicContact CG2-CB 4.18Å; V422-M428 HydrophobicContact CG2-CE 4.16Å; M428-I437 HydrophobicContact CG-CG2 4.03Å; M428-I437 HydrophobicContact SD-CG2 4.4Å
429	V	95.6	Very high	92.6	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	123.6	-176.5	-173.2	0	0	0	0	110.4	I329 F377 A379 L427 I437 L438 T443	I329-V429 HydrophobicContact CD1-CG1 4.48Å; I329-V429 HydrophobicContact CD1-CG2 4.34Å; I329-V429 HydrophobicContact CG1-CG2 4.23Å; F377-V429 HydrophobicContact CB-CG1 4.19Å; F377-V429 HydrophobicContact CD1-CG1 3.67Å; F377-V429 HydrophobicContact CE1-CG1 4.43Å; F377-V429 HydrophobicContact CG-CG1 4.24Å; A379-V429 HydrophobicContact CB-CB 4.4Å; A379-V429 HydrophobicContact CB-CG1 4.38Å; A379-V429 HydrophobicContact CB-CG2 4.02Å; L427-V429 HydrophobicContact CD1-CG2 3.89Å; L427-V429 HydrophobicContact CD2-CG2 4.31Å; L427-V429 HydrophobicContact CG-CG2 3.8Å; V429-I437 CarbonylContact O-C 3.57Å; V429-L438 HydrophobicContact CB-CB 4.35Å; V429-L438 PolarHBondContact N-O 3.06Å; V429-L438 PolarHBondContact O-N 2.64Å; V429-T443 HydrophobicContact CG2-CG2 4.18Å
430	I	95.4	Very high	92.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	115.7	173.6	-54.6	113.9	0	0	0	108.5	L47 F377 A378 I400 T432 I437	L47-I430 HydrophobicContact CD2-CD1 4Å; F377-I430 WeakPolarHBondContact CA-O 3.38Å; A378-I430 HydrophobicContact CB-CB 4.45Å; A378-I430 HydrophobicContact CB-CD1 4.34Å; A378-I430 PolarHBondContact N-O 2.82Å; A378-I430 PolarHBondContact O-N 2.88Å; I400-I430 HydrophobicContact CD1-CD1 4.11Å; I400-I430 HydrophobicContact CD1-CG1 4.23Å; I400-I430 HydrophobicContact CG2-CD1 3.95Å; I400-I430 HydrophobicContact CG2-CG1 4.08Å; I430-T432 HydrophobicContact CG2-CG2 4.39Å; I430-T432 PolarHBondContact O-N 3.11Å; I430-I437 HydrophobicContact CG1-CG1 4.05Å
431	D	95.1	Very high	92.5	Very high	10 Å²	10	39.3 Å²	39.3	5%	0.053	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	92.4	173	179.5	15.6	0	0	0	110.7	R376 F377 R433 S434 G435 R436	R376-D431 IonicContact CZ-OD1 2.83Å; R376-D431 IonicContact CZ-OD2 3.98Å; R376-D431 IonicContact NE-OD1 2.93Å; R376-D431 PolarHBondContact NE-OD1 2.89Å; R376-D431 IonicContact NE-OD2 2.94Å; R376-D431 VanDerWaalsContact NH2-CG 3.28Å; R376-D431 IonicContact NH2-OD1 3.66Å; R376-D431 PolarHBondContact NH2-OD1 3.46Å; R376-D431 IonicContact NH2-OD2 2.72Å; R376-D431 PolarHBondContact NH2-OD2 2.87Å; F377-D431 HydrophobicContact CD1-CB 3.87Å; F377-D431 HydrophobicContact CE1-CB 3.69Å; D431-R433 PolarHBondContact O-N 2.63Å; D431-R433 WeakPolarHBondContact OD1-CB 3.24Å; D431-R433 PolarHBondContact OD1-N 2.98Å; D431-R433 VanDerWaalsContact OD1-N 3.14Å; D431-S434 WeakPolarHBondContact CB-OG 3.44Å; D431-S434 PolarHBondContact O-N 2.9Å; D431-S434 VanDerWaalsContact OD2-CB 3.28Å; D431-S434 WeakPolarHBondContact OD2-CB 3.28Å; D431-S434 PolarHBondContact OD2-OG 2.01Å; D431-G435 PolarHBondContact O-N 2.67Å; D431-R436 PolarHBondContact N-O 3.5Å
432	T	93.9	Very high	92.5	Very high	12 Å²	12	41.6 Å²	41.6	7%	0.074	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-13.3	-179	64.6	0	0	0	0	114.4	I51 E52 I242 R376 I430	I51-T432 WeakPolarHBondContact O-CA 3.33Å; E52-T432 CarbonylContact C-O 3.51Å; I242-T432 HydrophobicContact CD1-CG2 3.8Å; I242-T432 HydrophobicContact CG1-CG2 3.83Å; R376-T432 WeakPolarHBondContact O-CB 3.5Å; R376-T432 PolarHBondContact O-N 3.14Å; R376-T432 PolarHBondContact O-OG1 2.81Å; I430-T432 HydrophobicContact CG2-CG2 4.39Å; I430-T432 PolarHBondContact O-N 3.11Å
433	R	91.7	Very high	92.5	Very high	199 Å²	199	41.5 Å²	41.5	75%	0.751	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-32.7	173.9	174	176.5	-75.7	-168.3	-3.2	113.3	R376 D431	R376-R433 HydrophobicContact CG-CB 4.15Å; D431-R433 PolarHBondContact O-N 2.63Å; D431-R433 WeakPolarHBondContact OD1-CB 3.24Å; D431-R433 PolarHBondContact OD1-N 2.98Å; D431-R433 VanDerWaalsContact OD1-N 3.14Å
434	S	92.7	Very high	92.7	Very high	62 Å²	62	42.1 Å²	42.1	43%	0.434	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-8	-178.6	64	0	0	0	0	113.6	D431 R436	D431-S434 WeakPolarHBondContact CB-OG 3.44Å; D431-S434 PolarHBondContact O-N 2.9Å; D431-S434 VanDerWaalsContact OD2-CB 3.28Å; D431-S434 WeakPolarHBondContact OD2-CB 3.28Å; D431-S434 PolarHBondContact OD2-OG 2.01Å; S434-R436 VanDerWaalsContact C-N 3.3Å
435	G	92.2	Very high	92.8	Very high	29 Å²	29	44.8 Å²	44.8	30%	0.299	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	21.4	-178.7	0	0	0	0	0	113.3	I51 D431	I51-G435 WeakPolarHBondContact CG2-O 3.47Å; I51-G435 WeakPolarHBondContact O-CA 3.49Å; D431-G435 PolarHBondContact O-N 2.67Å
436	R	93.6	Very high	92.9	Very high	123 Å²	123	48.3 Å²	48.3	46%	0.464	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	140.4	-173.7	-65.7	-171.6	64.2	-159.9	-8	112.3	D431 S434 E442	D431-R436 PolarHBondContact N-O 3.5Å; S434-R436 VanDerWaalsContact C-N 3.3Å; R436-E442 IonicContact CZ-OE2 3.21Å; R436-E442 IonicContact NH2-OE1 3.79Å; R436-E442 IonicContact NH2-OE2 3.77Å; R436-E442 PolarHBondContact NH2-OE2 3.01Å
437	I	92.9	Very high	92.9	Very high	34 Å²	34	44.4 Å²	44.4	17%	0.174	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	135.7	159.4	-57.9	169.2	0	0	0	106.5	I51 I394 I400 M428 V429 I430	I51-I437 HydrophobicContact CD1-CD1 3.97Å; I51-I437 HydrophobicContact CG1-CD1 4.35Å; I394-I437 HydrophobicContact CD1-CD1 3.52Å; I400-I437 HydrophobicContact CD1-CD1 3.92Å; M428-I437 HydrophobicContact CG-CG2 4.03Å; M428-I437 HydrophobicContact SD-CG2 4.4Å; V429-I437 CarbonylContact O-C 3.57Å; I430-I437 HydrophobicContact CG1-CG1 4.05Å
438	L	93.1	Very high	92.9	Very high	31 Å²	31	45.8 Å²	45.8	16%	0.162	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.7	175.5	-54.3	172.4	0	0	0	107.1	V429 T443	V429-L438 HydrophobicContact CB-CB 4.35Å; V429-L438 PolarHBondContact N-O 3.06Å; V429-L438 PolarHBondContact O-N 2.64Å; L438-T443 HydrophobicContact CB-CG2 3.85Å
439	H	90.7	Very high	92.9	Very high	81 Å²	81	49.7 Å²	49.7	38%	0.375	26%	0.264	S	S	.	.			trans	-92.9	164.7	174.9	-60.4	-90.4	0	0	0	110.6	A441 E442 T443	H439-A441 VanDerWaalsContact C-N 3.26Å; H439-A441 PolarHBondContact O-N 2.86Å; H439-E442 PolarHBondContact O-N 2.98Å; H439-T443 PolarHBondContact O-N 2.98Å
440	S	90.6	Very high	92.8	Very high	18 Å²	18	53.9 Å²	53.9	13%	0.126	28%	0.28	C	S	.	.	H	α-helix	trans	-39.4	-52.1	-177.4	-56.9	0	0	0	0	113.3	E426 L427 E442 T443 D444	E426-S440 WeakPolarHBondContact CA-OG 3.32Å; E426-S440 WeakPolarHBondContact CB-OG 3.33Å; L427-S440 PolarHBondContact N-OG 2.82Å; L427-S440 PolarHBondContact O-N 3.47Å; L427-S440 VanDerWaalsContact O-N 3.1Å; L427-S440 PolarHBondContact O-OG 3.43Å; S440-E442 PolarHBondContact O-N 2.91Å; S440-T443 WeakPolarHBondContact CA-OG1 3.49Å; S440-T443 PolarHBondContact O-N 2.85Å; S440-T443 VanDerWaalsContact O-N 3.11Å; S440-T443 PolarHBondContact O-OG1 3.43Å; S440-D444 VanDerWaalsContact O-CB 3.26Å; S440-D444 WeakPolarHBondContact O-CB 3.39Å; S440-D444 PolarHBondContact O-N 2.82Å; S440-D444 VanDerWaalsContact O-OD2 3.09Å
441	A	88.3	Confident	92.7	Very high	67 Å²	67	57 Å²	57	55%	0.554	29%	0.294	S	S	*	.	H	α-helix	trans	-55.8	-44.8	-178.1	0	0	0	0	0	113.7	H439 D444 D445	H439-A441 VanDerWaalsContact C-N 3.26Å; H439-A441 PolarHBondContact O-N 2.86Å; A441-D444 PolarHBondContact O-N 2.76Å; A441-D445 WeakPolarHBondContact O-CB 3.43Å; A441-D445 PolarHBondContact O-N 3.2Å
442	E	92.3	Very high	92.7	Very high	81 Å²	81	59.6 Å²	59.6	38%	0.379	31%	0.311	S	S	.	.	H	α-helix	trans	-69	-38.3	177.7	-65.5	-175	-91.9	0	0	112	R436 H439 S440 D446	R436-E442 IonicContact CZ-OE2 3.21Å; R436-E442 IonicContact NH2-OE1 3.79Å; R436-E442 IonicContact NH2-OE2 3.77Å; R436-E442 PolarHBondContact NH2-OE2 3.01Å; H439-E442 PolarHBondContact O-N 2.98Å; S440-E442 PolarHBondContact O-N 2.91Å; E442-D446 PolarHBondContact O-N 2.9Å; E442-D446 VanDerWaalsContact O-N 3.1Å
443	T	91.5	Very high	92.7	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.012	31%	0.308	C	S	.	.	H	α-helix	trans	-70.6	-33.6	178.3	59.7	0	0	0	0	112.6	I329 V429 L438 H439 S440 L447	I329-T443 HydrophobicContact CD1-CG2 4.04Å; I329-T443 HydrophobicContact CG2-CG2 4.1Å; V429-T443 HydrophobicContact CG2-CG2 4.18Å; L438-T443 HydrophobicContact CB-CG2 3.85Å; H439-T443 PolarHBondContact O-N 2.98Å; S440-T443 WeakPolarHBondContact CA-OG1 3.49Å; S440-T443 PolarHBondContact O-N 2.85Å; S440-T443 VanDerWaalsContact O-N 3.11Å; S440-T443 PolarHBondContact O-OG1 3.43Å; T443-L447 VanDerWaalsContact O-CG 3.28Å; T443-L447 WeakPolarHBondContact O-CG 3.45Å; T443-L447 PolarHBondContact O-N 2.92Å; T443-L447 VanDerWaalsContact O-N 3.12Å
444	D	92.7	Very high	92.8	Very high	14 Å²	14	53.5 Å²	53.5	8%	0.075	29%	0.289	C	S	.	.	H	α-helix	trans	-78.8	-35	-179.9	-67.5	-27.8	0	0	0	111.2	R333 L350 S440 A441 L447 K448	R333-D444 IonicContact CZ-OD1 3.17Å; R333-D444 VanDerWaalsContact CZ-OD1 3.26Å; R333-D444 IonicContact CZ-OD2 3.86Å; R333-D444 IonicContact NE-OD1 2.76Å; R333-D444 PolarHBondContact NE-OD1 2.81Å; R333-D444 VanDerWaalsContact NH2-CG 3.25Å; R333-D444 IonicContact NH2-OD1 2.72Å; R333-D444 PolarHBondContact NH2-OD1 3.5Å; R333-D444 IonicContact NH2-OD2 2.7Å; R333-D444 PolarHBondContact NH2-OD2 3.16Å; L350-D444 HydrophobicContact CD1-CB 3.76Å; L350-D444 HydrophobicContact CD2-CB 3.77Å; L350-D444 HydrophobicContact CG-CB 4.42Å; S440-D444 VanDerWaalsContact O-CB 3.26Å; S440-D444 WeakPolarHBondContact O-CB 3.39Å; S440-D444 PolarHBondContact O-N 2.82Å; S440-D444 VanDerWaalsContact O-OD2 3.09Å; A441-D444 PolarHBondContact O-N 2.76Å; D444-L447 PolarHBondContact O-N 3.19Å; D444-K448 WeakPolarHBondContact O-CB 3.49Å; D444-K448 WeakPolarHBondContact O-CG 3.4Å; D444-K448 PolarHBondContact O-N 3.12Å
445	D	93.9	Very high	92.9	Very high	83 Å²	83	56.1 Å²	56.1	44%	0.444	30%	0.295	S	S	.	.	H	α-helix	trans	-67.2	-38	171.1	-80.9	-11.3	0	0	0	112.4	A441 K448 S449	A441-D445 WeakPolarHBondContact O-CB 3.43Å; A441-D445 PolarHBondContact O-N 3.2Å; D445-K448 WeakPolarHBondContact OD1-CE 3.46Å; D445-K448 IonicContact OD1-NZ 2.91Å; D445-K448 PolarHBondContact OD1-NZ 2.91Å; D445-S449 VanDerWaalsContact O-CB 3.28Å; D445-S449 WeakPolarHBondContact O-CB 3.42Å; D445-S449 PolarHBondContact O-N 3.18Å; D445-S449 PolarHBondContact O-OG 2.83Å
446	D	93	Very high	92.9	Very high	77 Å²	77	56 Å²	56	41%	0.412	29%	0.285	S	S	.	.	H	α-helix	trans	-60.6	-51.2	169.7	176.2	85.5	0	0	0	110.7	E442 S449 R450	E442-D446 PolarHBondContact O-N 2.9Å; E442-D446 VanDerWaalsContact O-N 3.1Å; D446-S449 PolarHBondContact O-N 3.06Å; D446-S449 PolarHBondContact O-OG 3.21Å; D446-S449 VanDerWaalsContact O-OG 3.12Å; D446-R450 WeakPolarHBondContact O-CG 3.4Å; D446-R450 PolarHBondContact O-N 2.61Å; D446-R450 IonicContact OD2-CZ 2.92Å; D446-R450 VanDerWaalsContact OD2-CZ 3.25Å; D446-R450 IonicContact OD2-NE 3.96Å; D446-R450 PolarHBondContact OD2-NE 3.12Å; D446-R450 IonicContact OD2-NH2 2.67Å; D446-R450 PolarHBondContact OD2-NH2 3.17Å
447	L	93.1	Very high	92.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.7	-48.4	-176.7	-74.5	171.9	0	0	0	113	I329 R330 R333 F353 T443 D444 S449 R450 Y453	I329-L447 HydrophobicContact CG2-CD1 3.99Å; R330-L447 HydrophobicContact CB-CD2 3.71Å; R330-L447 HydrophobicContact CG-CD2 4.14Å; R333-L447 HydrophobicContact CB-CD1 4.04Å; R333-L447 HydrophobicContact CG-CD1 3.59Å; F353-L447 HydrophobicContact CE1-CD1 4.35Å; F353-L447 HydrophobicContact CE2-CB 4.25Å; F353-L447 HydrophobicContact CZ-CB 4.22Å; F353-L447 HydrophobicContact CZ-CD1 4.15Å; F353-L447 HydrophobicContact CZ-CD2 4.37Å; T443-L447 VanDerWaalsContact O-CG 3.28Å; T443-L447 WeakPolarHBondContact O-CG 3.45Å; T443-L447 PolarHBondContact O-N 2.92Å; T443-L447 VanDerWaalsContact O-N 3.12Å; D444-L447 PolarHBondContact O-N 3.19Å; L447-S449 VanDerWaalsContact C-N 3.25Å; L447-S449 PolarHBondContact O-N 2.82Å; L447-R450 PolarHBondContact O-N 3.1Å; L447-Y453 WeakPolarHBondContact O-CE2 3.47Å
448	K	93.3	Very high	92.8	Very high	33 Å²	33	55 Å²	55	14%	0.143	29%	0.286	C	S	.	.	H	α-helix	trans	-67.9	-25.7	-176.4	82.8	-168.2	-163.7	-172.7	0	113	D347 E349 L350 D444 D445	D347-K448 WeakPolarHBondContact OD2-CD 3.35Å; D347-K448 WeakPolarHBondContact OD2-CE 3.28Å; D347-K448 IonicContact OD2-NZ 3.42Å; D347-K448 PolarHBondContact OD2-NZ 3Å; E349-K448 HydrophobicContact CB-CD 4.16Å; E349-K448 HydrophobicContact CB-CG 4.43Å; L350-K448 HydrophobicContact CB-CB 4.48Å; L350-K448 HydrophobicContact CB-CD 4.03Å; L350-K448 HydrophobicContact CD1-CB 4.4Å; D444-K448 WeakPolarHBondContact O-CB 3.49Å; D444-K448 WeakPolarHBondContact O-CG 3.4Å; D444-K448 PolarHBondContact O-N 3.12Å; D445-K448 WeakPolarHBondContact OD1-CE 3.46Å; D445-K448 IonicContact OD1-NZ 2.91Å; D445-K448 PolarHBondContact OD1-NZ 2.91Å
449	S	94.4	Very high	92.6	Very high	87 Å²	87	59.8 Å²	59.8	61%	0.608	31%	0.305	S	S	*	.	H	α-helix	trans	-88.1	-8.4	-176.6	63.5	0	0	0	0	114.5	D445 D446 L447 H451	D445-S449 VanDerWaalsContact O-CB 3.28Å; D445-S449 WeakPolarHBondContact O-CB 3.42Å; D445-S449 PolarHBondContact O-N 3.18Å; D445-S449 PolarHBondContact O-OG 2.83Å; D446-S449 PolarHBondContact O-N 3.06Å; D446-S449 PolarHBondContact O-OG 3.21Å; D446-S449 VanDerWaalsContact O-OG 3.12Å; L447-S449 VanDerWaalsContact C-N 3.25Å; L447-S449 PolarHBondContact O-N 2.82Å; S449-H451 VanDerWaalsContact C-N 3.3Å; S449-H451 PolarHBondContact O-N 2.89Å
450	R	93.5	Very high	92.5	Very high	88 Å²	88	56.9 Å²	56.9	33%	0.332	29%	0.292	S	S	.	.	S	Bend	trans	-62.8	-34.8	178.9	-56.6	-168.7	179.7	178.8	1.6	113.3	D327 D446 L447	D327-R450 IonicContact OD1-NH2 3.75Å; D327-R450 IonicContact OD2-CZ 2.74Å; D327-R450 IonicContact OD2-NH1 2.84Å; D327-R450 PolarHBondContact OD2-NH1 2.88Å; D327-R450 IonicContact OD2-NH2 3.63Å; D327-R450 PolarHBondContact OD2-NH2 3.22Å; D446-R450 WeakPolarHBondContact O-CG 3.4Å; D446-R450 PolarHBondContact O-N 2.61Å; D446-R450 IonicContact OD2-CZ 2.92Å; D446-R450 VanDerWaalsContact OD2-CZ 3.25Å; D446-R450 IonicContact OD2-NE 3.96Å; D446-R450 PolarHBondContact OD2-NE 3.12Å; D446-R450 IonicContact OD2-NH2 2.67Å; D446-R450 PolarHBondContact OD2-NH2 3.17Å; L447-R450 PolarHBondContact O-N 3.1Å
451	H	94.2	Very high	92.4	Very high	65 Å²	65	56.7 Å²	56.7	30%	0.301	29%	0.29	S	S	.	.	S	Bend	trans	-144.9	153.7	-177.7	-63.5	-65.5	0	0	0	110.7	S449 Y453 W456	S449-H451 VanDerWaalsContact C-N 3.3Å; S449-H451 PolarHBondContact O-N 2.89Å; H451-Y453 HydrophobicContact CB-CD1 4.4Å; H451-Y453 HydrophobicContact CB-CD2 4.19Å; H451-Y453 HydrophobicContact CB-CE1 4.09Å; H451-Y453 HydrophobicContact CB-CE2 3.84Å; H451-Y453 HydrophobicContact CB-CG 4.46Å; H451-Y453 AromaticContact CD2-CZ 3.93Å; H451-Y453 WeakPolarHBondContact O-CD2 3.44Å; H451-Y453 PolarHBondContact O-N 3.49Å; H451-W456 HydrophobicContact CB-CH2 3.68Å; H451-W456 HydrophobicContact CB-CZ2 4.22Å; H451-W456 HydrophobicContact CB-CZ3 3.94Å; H451-W456 AromaticContact CG-CH2 3.76Å; H451-W456 AromaticContact ND1-CH2 3.83Å
452	P	94.7	Very high	92.4	Very high	65 Å²	65	58.2 Å²	58.2	42%	0.422	28%	0.281	S	S	.	.			trans	-79	59.9	178.7	34.5	-36.2	0	0	0	111.3	K454 E455 W456	P452-K454 PolarHBondContact O-N 2.65Å; P452-K454 VanDerWaalsContact O-N 3.15Å; P452-E455 HydrophobicContact CB-CB 4.17Å; P452-E455 WeakPolarHBondContact O-CB 3.14Å; P452-E455 PolarHBondContact O-N 3.09Å; P452-W456 HydrophobicContact CG-CZ2 4.4Å; P452-W456 PolarHBondContact O-N 3.33Å; P452-W456 VanDerWaalsContact O-N 3.11Å
453	Y	94.1	Very high	92.3	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-53.6	-39.5	-175	-59.2	-82.4	0	0	0	112.2	F353 F356 L447 H451 E455 W456 M457 E573	F353-Y453 HydrophobicContact CB-CD2 4.08Å; F353-Y453 HydrophobicContact CB-CE2 4.37Å; F353-Y453 HydrophobicContact CB-CG 4.36Å; F353-Y453 HydrophobicContact CD2-CD2 4.22Å; F353-Y453 HydrophobicContact CD2-CE1 4.12Å; F353-Y453 AromaticContact CD2-CE2 3.7Å; F353-Y453 HydrophobicContact CD2-CE2 3.7Å; F353-Y453 AromaticContact CD2-CZ 3.62Å; F356-Y453 HydrophobicContact CB-CD1 4.05Å; F356-Y453 AromaticContact CD1-CD1 3.78Å; F356-Y453 HydrophobicContact CD1-CD1 3.78Å; F356-Y453 AromaticContact CD1-CE1 3.82Å; F356-Y453 HydrophobicContact CD1-CE1 3.82Å; F356-Y453 HydrophobicContact CD2-CD1 4.41Å; F356-Y453 HydrophobicContact CE1-CD1 4.33Å; F356-Y453 HydrophobicContact CE1-CE1 4.11Å; F356-Y453 AromaticContact CG-CD1 3.82Å; F356-Y453 HydrophobicContact CG-CD1 3.82Å; F356-Y453 HydrophobicContact CG-CE1 4.35Å; L447-Y453 WeakPolarHBondContact O-CE2 3.47Å; H451-Y453 HydrophobicContact CB-CD1 4.4Å; H451-Y453 HydrophobicContact CB-CD2 4.19Å; H451-Y453 HydrophobicContact CB-CE1 4.09Å; H451-Y453 HydrophobicContact CB-CE2 3.84Å; H451-Y453 HydrophobicContact CB-CG 4.46Å; H451-Y453 AromaticContact CD2-CZ 3.93Å; H451-Y453 WeakPolarHBondContact O-CD2 3.44Å; H451-Y453 PolarHBondContact O-N 3.49Å; Y453-E455 PolarHBondContact O-N 2.92Å; Y453-W456 HydrophobicContact CD1-CE3 4.35Å; Y453-W456 HydrophobicContact CD1-CZ3 4.4Å; Y453-W456 PolarHBondContact O-N 2.87Å; Y453-M457 WeakPolarHBondContact O-CB 3.29Å; Y453-M457 WeakPolarHBondContact O-CG 3.36Å; Y453-M457 PolarHBondContact O-N 3.31Å; Y453-E573 PolarHBondContact OH-OE1 3.25Å
454	K	93.4	Very high	92.1	Very high	81 Å²	81	62.3 Å²	62.3	35%	0.352	30%	0.295	S	S	.	.	H	α-helix	trans	-59.8	-46.5	177.7	-177	-179.1	168.5	-170.3	0	112.4	E349 A352 P452 M457 E458	E349-K454 HydrophobicContact CG-CD 4.31Å; A352-K454 HydrophobicContact CB-CB 3.87Å; A352-K454 HydrophobicContact CB-CG 4.49Å; P452-K454 PolarHBondContact O-N 2.65Å; P452-K454 VanDerWaalsContact O-N 3.15Å; K454-M457 PolarHBondContact O-N 3.05Å; K454-E458 WeakPolarHBondContact CE-OE1 3.41Å; K454-E458 HydrophobicContact CG-CG 4.39Å; K454-E458 IonicContact NZ-OE1 2.7Å; K454-E458 WeakPolarHBondContact O-CB 3.39Å; K454-E458 WeakPolarHBondContact O-CG 3.49Å; K454-E458 PolarHBondContact O-N 3.48Å
455	E	94.9	Very high	92	Very high	117 Å²	117	65 Å²	65	55%	0.547	31%	0.311	S	S	.	.	H	α-helix	trans	-61.9	-46.2	176.8	-172.7	-170.3	159.1	0	0	110.8	P452 Y453 M457 E458 K459	P452-E455 HydrophobicContact CB-CB 4.17Å; P452-E455 WeakPolarHBondContact O-CB 3.14Å; P452-E455 PolarHBondContact O-N 3.09Å; Y453-E455 PolarHBondContact O-N 2.92Å; E455-M457 VanDerWaalsContact C-N 3.28Å; E455-M457 PolarHBondContact O-N 3.22Å; E455-E458 PolarHBondContact O-N 3.06Å; E455-K459 VanDerWaalsContact O-CB 3.22Å; E455-K459 WeakPolarHBondContact O-CB 3.06Å; E455-K459 PolarHBondContact O-N 3.24Å
456	W	93.7	Very high	91.6	Very high	27 Å²	27	63 Å²	63	10%	0.102	30%	0.303	C	S	.	.	H	α-helix	trans	-59	-40.2	177.1	-64.6	-7.5	0	0	0	112	F356 H451 P452 Y453 N460 E575 A578	F356-W456 HydrophobicContact CD2-CE3 4.46Å; F356-W456 HydrophobicContact CE2-CE3 4Å; F356-W456 HydrophobicContact CE2-CZ3 4.37Å; F356-W456 HydrophobicContact CZ-CE3 4.39Å; F356-W456 HydrophobicContact CZ-CZ3 4.3Å; H451-W456 HydrophobicContact CB-CH2 3.68Å; H451-W456 HydrophobicContact CB-CZ2 4.22Å; H451-W456 HydrophobicContact CB-CZ3 3.94Å; H451-W456 AromaticContact CG-CH2 3.76Å; H451-W456 AromaticContact ND1-CH2 3.83Å; P452-W456 HydrophobicContact CG-CZ2 4.4Å; P452-W456 PolarHBondContact O-N 3.33Å; P452-W456 VanDerWaalsContact O-N 3.11Å; Y453-W456 HydrophobicContact CD1-CE3 4.35Å; Y453-W456 HydrophobicContact CD1-CZ3 4.4Å; Y453-W456 PolarHBondContact O-N 2.87Å; W456-N460 VanDerWaalsContact O-CB 3.27Å; W456-N460 WeakPolarHBondContact O-CB 3.34Å; W456-N460 PolarHBondContact O-N 2.88Å; W456-N460 VanDerWaalsContact O-N 3.07Å; W456-N460 PolarHBondContact O-ND2 3.4Å; W456-E575 HydrophobicContact CB-CG 4.41Å; W456-E575 HydrophobicContact CD2-CB 4.07Å; W456-E575 HydrophobicContact CG-CB 4.06Å; W456-E575 HydrophobicContact CG-CG 3.97Å; W456-E575 HydrophobicContact CZ2-CB 4.47Å; W456-A578 HydrophobicContact CB-CB 4.06Å
457	M	91.2	Very high	91.3	Very high	6 Å²	6	59.5 Å²	59.5	3%	0.03	28%	0.284	C	S	.	.	H	α-helix	trans	-76.9	-39.6	-178.5	-66.5	-66.3	-80.5	0	0	112.5	D355 F356 Y453 K454 E455 K459 V461 A578	D355-M457 HydrophobicContact CB-CE 3.64Å; D355-M457 WeakPolarHBondContact OD1-CE 3.35Å; D355-M457 WeakPolarHBondContact OD2-CE 3.09Å; F356-M457 HydrophobicContact CB-CE 4.5Å; F356-M457 HydrophobicContact CB-CG 4.3Å; F356-M457 HydrophobicContact CB-SD 4.01Å; F356-M457 HydrophobicContact CD2-SD 4.09Å; Y453-M457 WeakPolarHBondContact O-CB 3.29Å; Y453-M457 WeakPolarHBondContact O-CG 3.36Å; Y453-M457 PolarHBondContact O-N 3.31Å; K454-M457 PolarHBondContact O-N 3.05Å; E455-M457 VanDerWaalsContact C-N 3.28Å; E455-M457 PolarHBondContact O-N 3.22Å; M457-K459 VanDerWaalsContact C-N 3.3Å; M457-K459 PolarHBondContact O-N 3.47Å; M457-V461 HydrophobicContact CB-CG2 4.11Å; M457-V461 HydrophobicContact CE-CG2 3.58Å; M457-V461 VanDerWaalsContact O-CB 3.24Å; M457-V461 WeakPolarHBondContact O-CB 3.35Å; M457-V461 VanDerWaalsContact O-CG2 3.24Å; M457-V461 WeakPolarHBondContact O-CG2 3.38Å; M457-V461 PolarHBondContact O-N 3.06Å; M457-V461 HydrophobicContact SD-CG2 3.64Å; M457-A578 HydrophobicContact SD-CB 4.17Å
458	E	91.5	Very high	91.1	Very high	131 Å²	131	63 Å²	63	61%	0.612	30%	0.3	S	S	*	.	H	α-helix	trans	-64.3	-35.1	174.4	-74.8	176.5	170.7	0	0	112.1	K454 E455	K454-E458 WeakPolarHBondContact CE-OE1 3.41Å; K454-E458 HydrophobicContact CG-CG 4.39Å; K454-E458 IonicContact NZ-OE1 2.7Å; K454-E458 WeakPolarHBondContact O-CB 3.39Å; K454-E458 WeakPolarHBondContact O-CG 3.49Å; K454-E458 PolarHBondContact O-N 3.48Å; E455-E458 PolarHBondContact O-N 3.06Å
459	K	90.3	Very high	90.9	Very high	130 Å²	130	67 Å²	67	57%	0.565	32%	0.323	S	S	*	.	H	α-helix	trans	-79.2	-36.1	179.9	-176.6	175.5	169.8	-165.1	0	114.2	E455 M457 E575	E455-K459 VanDerWaalsContact O-CB 3.22Å; E455-K459 WeakPolarHBondContact O-CB 3.06Å; E455-K459 PolarHBondContact O-N 3.24Å; M457-K459 VanDerWaalsContact C-N 3.3Å; M457-K459 PolarHBondContact O-N 3.47Å; K459-E575 VanDerWaalsContact CD-OE1 3.26Å; K459-E575 WeakPolarHBondContact CD-OE1 3.41Å; K459-E575 WeakPolarHBondContact CE-OE1 3.31Å; K459-E575 IonicContact NZ-OE1 3.86Å; K459-E575 PolarHBondContact NZ-OE1 3.3Å; K459-E575 IonicContact NZ-OE2 2.75Å
460	N	88.7	Confident	90.5	Very high	21 Å²	21	63.7 Å²	63.7	11%	0.112	30%	0.298	C	S	.	.	H	α-helix	trans	-114.9	-12.5	-166.6	-60.9	-69.7	0	0	0	115.5	W456 E575 A578 H579	W456-N460 VanDerWaalsContact O-CB 3.27Å; W456-N460 WeakPolarHBondContact O-CB 3.34Å; W456-N460 PolarHBondContact O-N 2.88Å; W456-N460 VanDerWaalsContact O-N 3.07Å; W456-N460 PolarHBondContact O-ND2 3.4Å; N460-E575 PolarHBondContact ND2-OE1 3.18Å; N460-A578 HydrophobicContact CB-CB 3.78Å; N460-H579 PolarHBondContact OD1-CE1 3.5Å
461	V	88.4	Confident	90	Very high	13 Å²	13	62.7 Å²	62.7	8%	0.079	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	119.8	176.7	-178	0	0	0	0	111.3	M457 R463 R580	M457-V461 HydrophobicContact CB-CG2 4.11Å; M457-V461 HydrophobicContact CE-CG2 3.58Å; M457-V461 VanDerWaalsContact O-CB 3.24Å; M457-V461 WeakPolarHBondContact O-CB 3.35Å; M457-V461 VanDerWaalsContact O-CG2 3.24Å; M457-V461 WeakPolarHBondContact O-CG2 3.38Å; M457-V461 PolarHBondContact O-N 3.06Å; M457-V461 HydrophobicContact SD-CG2 3.64Å; V461-R463 HydrophobicContact CG1-CG 4.49Å; V461-R580 WeakPolarHBondContact CA-O 3.07Å; V461-R580 HydrophobicContact CB-CG 4.39Å; V461-R580 HydrophobicContact CG1-CG 4.04Å; V461-R580 HydrophobicContact CG2-CG 3.81Å
462	R	88.6	Confident	89.3	Confident	99 Å²	99	65.6 Å²	65.6	37%	0.374	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	143.2	168.4	-70.3	-175.5	170.9	-109.5	-9.3	110.6	R580 L581 S582 E601 Y604	R462-R580 PolarHBondContact N-O 3.36Å; R462-L581 HydrophobicContact CB-CB 4.35Å; R462-L581 HydrophobicContact CB-CG 4.18Å; R462-L581 WeakPolarHBondContact O-CA 3.26Å; R462-S582 PolarHBondContact O-N 2.84Å; R462-E601 VanDerWaalsContact CZ-CD 3.43Å; R462-E601 IonicContact CZ-OE1 3.07Å; R462-E601 IonicContact CZ-OE2 3.85Å; R462-E601 VanDerWaalsContact CZ-OE2 3.23Å; R462-E601 IonicContact NE-OE1 3.46Å; R462-E601 IonicContact NE-OE2 3.43Å; R462-E601 PolarHBondContact NE-OE2 3.21Å; R462-E601 IonicContact NH2-OE1 3.2Å; R462-E601 PolarHBondContact NH2-OE1 3.05Å; R462-E601 IonicContact NH2-OE2 3.56Å; R462-E601 PolarHBondContact NH2-OE2 2.96Å; R462-Y604 HydrophobicContact CG-CE2 4.4Å
463	R	88.9	Confident	88.6	Confident	152 Å²	152	71.5 Å²	71.5	57%	0.574	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125	143.3	173	-64.4	-178.7	179.1	84.8	3.4	108.9	V461	V461-R463 HydrophobicContact CG1-CG 4.49Å
464	L	88.5	Confident	87.9	Confident	18 Å²	18	77 Å²	77	9%	0.094	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-71.3	144.9	172.9	-58	-179.4	0	0	0	109.7	P466 L581 F583 D592 Q595 L596 M599	L464-P466 WeakPolarHBondContact O-CD 3.3Å; L464-L581 HydrophobicContact CD1-CD2 4.45Å; L464-L581 HydrophobicContact CD2-CD1 4.19Å; L464-L581 HydrophobicContact CD2-CD2 3.9Å; L464-L581 HydrophobicContact CD2-CG 4.45Å; L464-L581 HydrophobicContact CG-CD2 3.93Å; L464-F583 HydrophobicContact CD1-CB 3.87Å; L464-F583 HydrophobicContact CD1-CD1 4.41Å; L464-F583 HydrophobicContact CD1-CD2 4.42Å; L464-F583 HydrophobicContact CD1-CG 4Å; L464-F583 HydrophobicContact CG-CB 4.22Å; L464-D592 HydrophobicContact CD1-CB 3.94Å; L464-Q595 HydrophobicContact CD2-CB 3.73Å; L464-L596 HydrophobicContact CD1-CD1 4.38Å; L464-L596 HydrophobicContact CD1-CD2 4.46Å; L464-L596 HydrophobicContact CD1-CG 4.17Å; L464-L596 HydrophobicContact CD2-CD2 4.25Å; L464-L596 HydrophobicContact CD2-CG 4.24Å; L464-M599 HydrophobicContact CD2-CE 4.01Å
465	V	89.3	Confident	87.1	Confident	71 Å²	71	74.2 Å²	74.2	43%	0.43	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-65.3	121.9	167.4	-177	0	0	0	0	107.5	F467 L470 Q595	V465-F467 PolarHBondContact O-N 3.24Å; V465-L470 HydrophobicContact CB-CD2 4.17Å; V465-L470 HydrophobicContact CG1-CD2 3.63Å; V465-L470 HydrophobicContact CG1-CG 4.37Å; V465-Q595 PolarHBondContact O-NE2 3.21Å
466	P	86.5	Confident	86.1	Confident	40 Å²	40	70.6 Å²	70.6	26%	0.26	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-61.1	136.7	-179.6	-23.8	35.8	0	0	0	111.2	L464 E468 D469 L470	L464-P466 WeakPolarHBondContact O-CD 3.3Å; P466-E468 HydrophobicContact CB-CG 3.78Å; P466-E468 PolarHBondContact O-N 3.43Å; P466-D469 HydrophobicContact CB-CB 4.44Å; P466-D469 WeakPolarHBondContact CB-OD2 3.19Å; P466-D469 WeakPolarHBondContact CD-OD2 3.25Å; P466-D469 VanDerWaalsContact CG-OD2 3.26Å; P466-D469 WeakPolarHBondContact CG-OD2 3.12Å; P466-D469 PolarHBondContact O-N 3.26Å; P466-L470 PolarHBondContact O-N 3.12Å
467	F	86.8	Confident	85.6	Confident	4 Å²	4	73.7 Å²	73.7	2%	0.018	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-58.4	-35.5	179.7	178.9	-102.4	0	0	0	112.6	V465 D469 L470 V475 L589 S591 R727 M730 L731	V465-F467 PolarHBondContact O-N 3.24Å; F467-D469 PolarHBondContact O-N 2.7Å; F467-L470 HydrophobicContact CD2-CD1 4Å; F467-L470 PolarHBondContact O-N 3.42Å; F467-V475 HydrophobicContact CE2-CG1 4.39Å; F467-V475 HydrophobicContact CZ-CG1 3.91Å; F467-L589 HydrophobicContact CB-CD1 3.5Å; F467-L589 HydrophobicContact CD1-CD1 3.55Å; F467-L589 HydrophobicContact CD2-CB 4.31Å; F467-L589 HydrophobicContact CD2-CD1 4.07Å; F467-L589 HydrophobicContact CE1-CD1 4.14Å; F467-L589 HydrophobicContact CG-CD1 3.47Å; F467-L589 VanDerWaalsContact CG-CD1 3.47Å; F467-S591 WeakPolarHBondContact CD2-OG 3.45Å; F467-R727 HydrophobicContact CD1-CG 4.21Å; F467-R727 HydrophobicContact CE1-CB 4.32Å; F467-R727 HydrophobicContact CE1-CG 3.76Å; F467-R727 PolarHBondContact O-NH1 3.49Å; F467-M730 HydrophobicContact CE1-CB 4.4Å; F467-M730 HydrophobicContact CZ-CB 4.41Å; F467-L731 HydrophobicContact CD1-CD1 4.26Å; F467-L731 HydrophobicContact CD1-CD2 3.82Å; F467-L731 HydrophobicContact CD1-CG 3.78Å; F467-L731 HydrophobicContact CE1-CG 4.04Å
468	E	87.5	Confident	85.6	Confident	72 Å²	72	76.6 Å²	76.6	34%	0.336	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-57.3	-28.4	172.3	50.8	-93.5	-144.1	0	0	114	P466 K584 R727 L731 R734	P466-E468 HydrophobicContact CB-CG 3.78Å; P466-E468 PolarHBondContact O-N 3.43Å; E468-K584 IonicContact OE1-NZ 3.62Å; E468-R727 PolarHBondContact O-NH1 2.8Å; E468-L731 HydrophobicContact CB-CD1 4.34Å; E468-R734 IonicContact OE1-NH2 3.72Å; E468-R734 IonicContact OE2-NH2 2.79Å; E468-R734 PolarHBondContact OE2-NH2 3.33Å
469	D	89.2	Confident	85.5	Confident	118 Å²	118	75.1 Å²	75.1	63%	0.631	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-96.2	-4.5	-177.9	-59.9	-33.8	0	0	0	113.9	P466 F467	P466-D469 HydrophobicContact CB-CB 4.44Å; P466-D469 WeakPolarHBondContact CB-OD2 3.19Å; P466-D469 WeakPolarHBondContact CD-OD2 3.25Å; P466-D469 VanDerWaalsContact CG-OD2 3.26Å; P466-D469 WeakPolarHBondContact CG-OD2 3.12Å; P466-D469 PolarHBondContact O-N 3.26Å; F467-D469 PolarHBondContact O-N 2.7Å
470	L	85.6	Confident	85.7	Confident	17 Å²	17	70.1 Å²	70.1	9%	0.089	36%	0.362	C	S	.	.	S	Bend	trans	-72.2	152.9	179.7	-67.6	174.1	0	0	0	112.4	V465 P466 F467 E474 R727	V465-L470 HydrophobicContact CB-CD2 4.17Å; V465-L470 HydrophobicContact CG1-CD2 3.63Å; V465-L470 HydrophobicContact CG1-CG 4.37Å; P466-L470 PolarHBondContact O-N 3.12Å; F467-L470 HydrophobicContact CD2-CD1 4Å; F467-L470 PolarHBondContact O-N 3.42Å; L470-E474 HydrophobicContact CB-CB 4.46Å; L470-R727 VanDerWaalsContact O-CZ 3.26Å; L470-R727 PolarHBondContact O-NH1 3.12Å; L470-R727 PolarHBondContact O-NH2 2.92Å
471	P	84.2	Confident	86	Confident	67 Å²	67	73 Å²	73	44%	0.435	38%	0.377	S	S	.	.			trans	-59.5	150.1	168.9	-20.5	32.6	0	0	0	112.3	E473 E474 V475	P471-E473 PolarHBondContact O-N 3.44Å; P471-E474 HydrophobicContact CB-CG 4.41Å; P471-E474 HydrophobicContact CG-CG 4.33Å; P471-E474 PolarHBondContact O-N 3.32Å; P471-V475 PolarHBondContact O-N 3.25Å
472	D	79.6	Confident	86.2	Confident	126 Å²	126	75 Å²	75	67%	0.674	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-60.1	-29.7	178.8	-72.5	-35.9	0	0	0	113.1	E474 V475 R727	D472-E474 PolarHBondContact O-N 2.79Å; D472-V475 WeakPolarHBondContact O-CB 3.31Å; D472-V475 PolarHBondContact O-N 3.41Å; D472-R727 IonicContact OD1-CZ 3.66Å; D472-R727 IonicContact OD1-NE 2.69Å; D472-R727 PolarHBondContact OD1-NE 3.16Å; D472-R727 IonicContact OD1-NH2 2.74Å; D472-R727 PolarHBondContact OD1-NH2 2.93Å
473	E	79.3	Confident	86.4	Confident	190 Å²	190	76 Å²	76	89%	0.888	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-64.9	-23.7	174.6	-63.8	166.6	-166.2	0	0	113	P471	P471-E473 PolarHBondContact O-N 3.44Å
474	E	79.3	Confident	86.7	Confident	118 Å²	118	71 Å²	71	55%	0.551	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-98.7	-5.2	-178.6	-62.7	-168.1	-173.8	0	0	113.8	L470 P471 D472 G476	L470-E474 HydrophobicContact CB-CB 4.46Å; P471-E474 HydrophobicContact CB-CG 4.41Å; P471-E474 HydrophobicContact CG-CG 4.33Å; P471-E474 PolarHBondContact O-N 3.32Å; D472-E474 PolarHBondContact O-N 2.79Å; E474-G476 PolarHBondContact O-N 3.44Å
475	V	76.9	Confident	87	Confident	21 Å²	21	70.1 Å²	70.1	13%	0.127	38%	0.382	C	S	.	.	S	Bend	trans	-60.9	-30.6	174.7	172.5	0	0	0	0	111.5	F467 P471 D472 R727	F467-V475 HydrophobicContact CE2-CG1 4.39Å; F467-V475 HydrophobicContact CZ-CG1 3.91Å; P471-V475 PolarHBondContact O-N 3.25Å; D472-V475 WeakPolarHBondContact O-CB 3.31Å; D472-V475 PolarHBondContact O-N 3.41Å; V475-R727 HydrophobicContact CG1-CB 4.24Å; V475-R727 HydrophobicContact CG2-CB 4.33Å; V475-R727 HydrophobicContact CG2-CG 4.48Å; V475-R727 VanDerWaalsContact CG2-NH2 3.34Å
476	G	73.6	Confident	87.4	Confident	41 Å²	41	67.6 Å²	67.6	42%	0.423	37%	0.369	S	S	.	.			trans	82	175.1	178.2	0	0	0	0	0	114.3	E474	E474-G476 PolarHBondContact O-N 3.44Å
477	S	84.4	Confident	87.8	Confident	93 Å²	93	66.5 Å²	66.5	65%	0.65	36%	0.362	S	S	*	.			trans	-131.3	168.5	173.8	64.5	0	0	0	0	109.4
478	R	90.7	Very high	88.3	Confident	66 Å²	66	67.7 Å²	67.7	25%	0.249	37%	0.367	C	S	.	.			trans	-56.7	145.6	172.3	62.2	170.5	174.3	140.4	-20.2	112.7	L480 D482 E711 D718	R478-L480 PolarHBondContact NH1-O 2.99Å; R478-D482 IonicContact CZ-OD1 2.67Å; R478-D482 IonicContact NH1-OD1 2.8Å; R478-D482 PolarHBondContact NH1-OD1 3.5Å; R478-D482 IonicContact NH2-OD1 2.85Å; R478-D482 PolarHBondContact NH2-OD1 3.22Å; R478-E711 WeakPolarHBondContact CB-OE2 3.3Å; R478-D718 IonicContact CZ-OD2 3.97Å; R478-D718 IonicContact NE-OD2 3.87Å; R478-D718 PolarHBondContact NE-OD2 3Å; R478-D718 IonicContact NH2-OD2 3.64Å; R478-D718 PolarHBondContact NH2-OD2 3.1Å; R478-D718 VanDerWaalsContact NH2-OD2 3.1Å
479	E	90.2	Very high	88.8	Confident	101 Å²	101	64.4 Å²	64.4	47%	0.472	35%	0.351	S	S	.	.			trans	-95.1	-26.1	175.9	-65.2	179.7	155.6	0	0	112.3	R647 E711	E479-R647 IonicContact OE2-CZ 2.81Å; E479-R647 IonicContact OE2-NH1 3.83Å; E479-R647 PolarHBondContact OE2-NH1 3.4Å; E479-R647 IonicContact OE2-NH2 3.87Å; E479-E711 PolarHBondContact N-OE1 3.04Å; E479-E711 PolarHBondContact N-OE2 3.35Å; E479-E711 VanDerWaalsContact N-OE2 3.1Å
480	L	93.3	Very high	89.1	Confident	25 Å²	25	59.5 Å²	59.5	13%	0.131	32%	0.324	C	S	.	.	S	Bend	trans	-96.2	135.2	-174.5	-56.5	-178	0	0	0	113	R478 T484 L485 L708 E711	R478-L480 PolarHBondContact NH1-O 2.99Å; L480-T484 HydrophobicContact CD2-CG2 4.01Å; L480-L485 HydrophobicContact CB-CB 4.18Å; L480-L485 HydrophobicContact CD1-CD1 4.44Å; L480-L708 HydrophobicContact CD1-CD1 4.06Å; L480-E711 VanDerWaalsContact CB-OE2 3.31Å; L480-E711 WeakPolarHBondContact CB-OE2 3.33Å; L480-E711 HydrophobicContact CD1-CB 4.46Å; L480-E711 HydrophobicContact CD1-CG 4.08Å; L480-E711 HydrophobicContact CG-CG 4.17Å; L480-E711 WeakPolarHBondContact CG-OE2 3.32Å; L480-E711 PolarHBondContact N-OE2 3Å
481	D	94.5	Very high	89.7	Confident	82 Å²	82	58.8 Å²	58.8	44%	0.439	32%	0.32	S	S	.	.			trans	-68.7	163.2	164.6	72.6	79	0	0	0	111.6	D483 T484 L485	D481-D483 VanDerWaalsContact C-N 3.34Å; D481-D483 PolarHBondContact O-N 2.84Å; D481-D483 WeakPolarHBondContact OD1-CA 3.49Å; D481-D483 WeakPolarHBondContact OD1-CB 3.5Å; D481-D483 PolarHBondContact OD1-N 2.94Å; D481-T484 PolarHBondContact O-N 3.37Å; D481-T484 PolarHBondContact OD1-N 2.9Å; D481-T484 PolarHBondContact OD1-OG1 3.05Å; D481-T484 VanDerWaalsContact OD2-CB 3.24Å; D481-T484 WeakPolarHBondContact OD2-CB 3.44Å; D481-T484 PolarHBondContact OD2-OG1 2.84Å; D481-L485 WeakPolarHBondContact O-CB 3.2Å; D481-L485 PolarHBondContact O-N 3.38Å
482	D	93.9	Very high	90.3	Very high	55 Å²	55	56.3 Å²	56.3	29%	0.294	30%	0.303	S	S	.	.	H	α-helix	trans	-62	-33.1	-174.5	-80.9	48.3	0	0	0	114.6	R478 A486 R715	R478-D482 IonicContact CZ-OD1 2.67Å; R478-D482 IonicContact NH1-OD1 2.8Å; R478-D482 PolarHBondContact NH1-OD1 3.5Å; R478-D482 IonicContact NH2-OD1 2.85Å; R478-D482 PolarHBondContact NH2-OD1 3.22Å; D482-A486 VanDerWaalsContact O-CB 3.26Å; D482-A486 WeakPolarHBondContact O-CB 3.36Å; D482-A486 PolarHBondContact O-N 3.31Å; D482-R715 IonicContact OD2-CZ 3.67Å; D482-R715 IonicContact OD2-NE 3.11Å; D482-R715 IonicContact OD2-NH1 3.97Å; D482-R715 PolarHBondContact OD2-NH1 3.24Å; D482-R715 IonicContact OD2-NH2 3.85Å; D482-R715 PolarHBondContact OD2-NH2 3.23Å
483	D	93	Very high	91	Very high	120 Å²	120	52 Å²	52	64%	0.642	28%	0.28	S	S	*	.	H	α-helix	trans	-80.2	-40.1	-178.1	-81.6	-30.2	0	0	0	111.1	D481 S487	D481-D483 VanDerWaalsContact C-N 3.34Å; D481-D483 PolarHBondContact O-N 2.84Å; D481-D483 WeakPolarHBondContact OD1-CA 3.49Å; D481-D483 WeakPolarHBondContact OD1-CB 3.5Å; D481-D483 PolarHBondContact OD1-N 2.94Å; D483-S487 WeakPolarHBondContact O-CB 3.27Å; D483-S487 PolarHBondContact O-N 2.78Å; D483-S487 PolarHBondContact O-OG 3.27Å
484	T	94	Very high	91.9	Very high	45 Å²	45	43 Å²	43	28%	0.276	24%	0.238	S	C	.	.	H	α-helix	trans	-65.1	-48.3	172.4	-60	0	0	0	0	110.2	L480 D481 A486 S487 Y488	L480-T484 HydrophobicContact CD2-CG2 4.01Å; D481-T484 PolarHBondContact O-N 3.37Å; D481-T484 PolarHBondContact OD1-N 2.9Å; D481-T484 PolarHBondContact OD1-OG1 3.05Å; D481-T484 VanDerWaalsContact OD2-CB 3.24Å; D481-T484 WeakPolarHBondContact OD2-CB 3.44Å; D481-T484 PolarHBondContact OD2-OG1 2.84Å; T484-A486 PolarHBondContact O-N 3.02Å; T484-S487 WeakPolarHBondContact O-CB 3.48Å; T484-S487 PolarHBondContact O-N 3.23Å; T484-S487 VanDerWaalsContact O-N 3.08Å; T484-Y488 HydrophobicContact CG2-CD2 3.89Å; T484-Y488 HydrophobicContact CG2-CE2 3.72Å; T484-Y488 VanDerWaalsContact O-CD2 3.26Å; T484-Y488 WeakPolarHBondContact O-CD2 3.35Å; T484-Y488 PolarHBondContact O-N 3.04Å
485	L	96.2	Very high	92.6	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-55.1	-48.1	174.8	175.8	57.4	0	0	0	111.6	L480 D481 S487 Y488 Q489 L708 E711 R715	L480-L485 HydrophobicContact CB-CB 4.18Å; L480-L485 HydrophobicContact CD1-CD1 4.44Å; D481-L485 WeakPolarHBondContact O-CB 3.2Å; D481-L485 PolarHBondContact O-N 3.38Å; L485-S487 VanDerWaalsContact C-N 3.3Å; L485-S487 PolarHBondContact O-N 3.38Å; L485-Y488 PolarHBondContact O-N 3.23Å; L485-Q489 HydrophobicContact CD1-CG 4.08Å; L485-Q489 WeakPolarHBondContact O-CB 3.29Å; L485-Q489 VanDerWaalsContact O-CG 3.27Å; L485-Q489 WeakPolarHBondContact O-CG 3.45Å; L485-Q489 PolarHBondContact O-N 3.18Å; L485-L708 HydrophobicContact CD1-CD1 3.53Å; L485-E711 HydrophobicContact CD1-CB 4.02Å; L485-R715 HydrophobicContact CD2-CB 3.75Å; L485-R715 HydrophobicContact CD2-CG 4.04Å
486	A	95.9	Very high	93.5	Very high	19 Å²	19	38.4 Å²	38.4	16%	0.157	22%	0.221	C	C	.	.	H	α-helix	trans	-64	-34.2	177.4	0	0	0	0	0	112.8	D482 T484 K490	D482-A486 VanDerWaalsContact O-CB 3.26Å; D482-A486 WeakPolarHBondContact O-CB 3.36Å; D482-A486 PolarHBondContact O-N 3.31Å; T484-A486 PolarHBondContact O-N 3.02Å; A486-K490 WeakPolarHBondContact O-CB 3.41Å; A486-K490 WeakPolarHBondContact O-CE 3.34Å; A486-K490 VanDerWaalsContact O-CG 3.3Å; A486-K490 WeakPolarHBondContact O-CG 3.42Å; A486-K490 PolarHBondContact O-N 2.83Å
487	S	96.4	Very high	94.5	Very high	17 Å²	17	37.3 Å²	37.3	12%	0.119	21%	0.205	C	C	.	.	H	α-helix	trans	-67.7	-43.7	175.9	-59.5	0	0	0	0	111.6	D483 T484 L485 K490 Q491	D483-S487 WeakPolarHBondContact O-CB 3.27Å; D483-S487 PolarHBondContact O-N 2.78Å; D483-S487 PolarHBondContact O-OG 3.27Å; T484-S487 WeakPolarHBondContact O-CB 3.48Å; T484-S487 PolarHBondContact O-N 3.23Å; T484-S487 VanDerWaalsContact O-N 3.08Å; L485-S487 VanDerWaalsContact C-N 3.3Å; L485-S487 PolarHBondContact O-N 3.38Å; S487-K490 PolarHBondContact O-N 3.06Å; S487-Q491 PolarHBondContact O-N 2.92Å
488	Y	97.2	Very high	95	Very high	29 Å²	29	34.2 Å²	34.2	11%	0.114	18%	0.18	C	C	.	.	H	α-helix	trans	-64.6	-48.7	175	-83.9	-122.7	0	0	0	111.2	T484 L485 K490 Q491 F492 R647 I649 Y707	T484-Y488 HydrophobicContact CG2-CD2 3.89Å; T484-Y488 HydrophobicContact CG2-CE2 3.72Å; T484-Y488 VanDerWaalsContact O-CD2 3.26Å; T484-Y488 WeakPolarHBondContact O-CD2 3.35Å; T484-Y488 PolarHBondContact O-N 3.04Å; L485-Y488 PolarHBondContact O-N 3.23Å; Y488-K490 VanDerWaalsContact C-N 3.28Å; Y488-K490 PolarHBondContact O-N 3.29Å; Y488-Q491 PolarHBondContact O-N 3.04Å; Y488-F492 WeakPolarHBondContact O-CD2 3.5Å; Y488-F492 PolarHBondContact O-N 3.15Å; Y488-R647 WeakPolarHBondContact CE1-O 3.39Å; Y488-R647 PolarHBondContact OH-O 3.02Å; Y488-R647 VanDerWaalsContact OH-O 3.06Å; Y488-I649 HydrophobicContact CD1-CD1 3.84Å; Y488-I649 HydrophobicContact CD1-CG1 4Å; Y488-I649 HydrophobicContact CD2-CD1 3.85Å; Y488-I649 HydrophobicContact CD2-CG1 4.21Å; Y488-I649 HydrophobicContact CE1-CD1 3.94Å; Y488-I649 HydrophobicContact CE1-CG1 3.55Å; Y488-I649 HydrophobicContact CE2-CD1 3.94Å; Y488-I649 HydrophobicContact CE2-CG1 3.77Å; Y488-I649 HydrophobicContact CG-CD1 3.81Å; Y488-I649 HydrophobicContact CG-CG1 4.32Å; Y488-I649 VanDerWaalsContact CZ-CG1 3.42Å; Y488-Y707 HydrophobicContact CD1-CE2 4.42Å; Y488-Y707 WeakPolarHBondContact CD1-OH 3.39Å; Y488-Y707 VanDerWaalsContact CE1-OH 3.32Å; Y488-Y707 WeakPolarHBondContact CE1-OH 3.44Å
489	Q	97.2	Very high	95.3	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.009	18%	0.176	C	C	.	.	H	α-helix	trans	-53.9	-43.4	175	-77	170.9	-19.9	0	0	111.8	L485 N493 Y494 L708 T712 I809	L485-Q489 HydrophobicContact CD1-CG 4.08Å; L485-Q489 WeakPolarHBondContact O-CB 3.29Å; L485-Q489 VanDerWaalsContact O-CG 3.27Å; L485-Q489 WeakPolarHBondContact O-CG 3.45Å; L485-Q489 PolarHBondContact O-N 3.18Å; Q489-N493 PolarHBondContact O-N 2.94Å; Q489-Y494 HydrophobicContact CB-CD2 4.41Å; Q489-Y494 HydrophobicContact CB-CG 4.26Å; Q489-Y494 HydrophobicContact CG-CD1 4.48Å; Q489-Y494 HydrophobicContact CG-CD2 4.44Å; Q489-Y494 HydrophobicContact CG-CG 4.2Å; Q489-Y494 WeakPolarHBondContact O-CB 3.29Å; Q489-Y494 PolarHBondContact O-N 3.27Å; Q489-L708 HydrophobicContact CG-CD2 4.49Å; Q489-T712 PolarHBondContact NE2-OG1 2.95Å; Q489-I809 HydrophobicContact CB-CD1 4.33Å
490	K	96.5	Very high	95.5	Very high	15 Å²	15	31.6 Å²	31.6	7%	0.065	17%	0.174	C	C	.	.	H	α-helix	trans	-66.7	-39.3	174.7	-75.7	175.1	-77	172.7	0	113.4	A486 S487 Y488 N493 A802 L804 K807 I809	A486-K490 WeakPolarHBondContact O-CB 3.41Å; A486-K490 WeakPolarHBondContact O-CE 3.34Å; A486-K490 VanDerWaalsContact O-CG 3.3Å; A486-K490 WeakPolarHBondContact O-CG 3.42Å; A486-K490 PolarHBondContact O-N 2.83Å; S487-K490 PolarHBondContact O-N 3.06Å; Y488-K490 VanDerWaalsContact C-N 3.28Å; Y488-K490 PolarHBondContact O-N 3.29Å; K490-N493 PolarHBondContact O-N 3.04Å; K490-A802 HydrophobicContact CB-CB 3.87Å; K490-A802 VanDerWaalsContact CE-O 3.24Å; K490-A802 WeakPolarHBondContact CE-O 3.39Å; K490-A802 PolarHBondContact NZ-O 3.22Å; K490-L804 PolarHBondContact NZ-O 2.69Å; K490-K807 WeakPolarHBondContact CD-O 3.3Å; K490-K807 PolarHBondContact NZ-O 2.84Å; K490-K807 VanDerWaalsContact NZ-O 3.14Å; K490-I809 HydrophobicContact CG-CG1 4.26Å
491	Q	96.7	Very high	95.4	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.009	18%	0.179	C	C	.	.	H	α-helix	trans	-67.6	-38.9	179.2	-177.6	60.3	68.1	0	0	112.3	S487 Y488 N493 I649 P655 L795 A802	S487-Q491 PolarHBondContact O-N 2.92Å; Y488-Q491 PolarHBondContact O-N 3.04Å; Q491-N493 PolarHBondContact O-N 2.92Å; Q491-I649 HydrophobicContact CB-CD1 3.84Å; Q491-I649 HydrophobicContact CG-CD1 3.76Å; Q491-P655 HydrophobicContact CG-CG 4.37Å; Q491-L795 PolarHBondContact NE2-O 2.98Å; Q491-A802 HydrophobicContact CB-CB 4Å
492	F	97	Very high	95.4	Very high	16 Å²	16	29.1 Å²	29.1	7%	0.07	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	16.1	175.6	-71.5	-85.9	0	0	0	113.2	Y488 Y494 D646 I649 P655 A685 R688 L708	Y488-F492 WeakPolarHBondContact O-CD2 3.5Å; Y488-F492 PolarHBondContact O-N 3.15Å; F492-Y494 VanDerWaalsContact C-N 3.33Å; F492-Y494 HydrophobicContact CB-CD2 3.95Å; F492-Y494 HydrophobicContact CB-CE2 3.84Å; F492-Y494 PolarHBondContact O-N 3.11Å; F492-D646 HydrophobicContact CE1-CB 4.34Å; F492-D646 WeakPolarHBondContact CE1-OD2 3.32Å; F492-D646 HydrophobicContact CZ-CB 4.1Å; F492-I649 HydrophobicContact CD2-CD1 4.46Å; F492-I649 HydrophobicContact CE2-CD1 3.94Å; F492-I649 HydrophobicContact CE2-CG2 4.21Å; F492-I649 HydrophobicContact CZ-CG2 4.24Å; F492-P655 HydrophobicContact CD1-CG 4.49Å; F492-P655 HydrophobicContact CE1-CB 3.77Å; F492-P655 HydrophobicContact CE1-CG 3.8Å; F492-P655 HydrophobicContact CE2-CG 4.38Å; F492-P655 HydrophobicContact CZ-CB 3.63Å; F492-P655 HydrophobicContact CZ-CG 3.74Å; F492-A685 HydrophobicContact CD1-CB 3.86Å; F492-A685 HydrophobicContact CD2-CB 3.48Å; F492-A685 VanDerWaalsContact CD2-CB 3.48Å; F492-A685 HydrophobicContact CE1-CB 3.75Å; F492-A685 HydrophobicContact CE2-CB 3.38Å; F492-A685 HydrophobicContact CG-CB 3.73Å; F492-A685 HydrophobicContact CZ-CB 3.52Å; F492-R688 PolarHBondContact O-NH1 3.37Å; F492-L708 HydrophobicContact CB-CD2 4.39Å; F492-L708 HydrophobicContact CD2-CD2 4.16Å
493	N	95.8	Very high	95.6	Very high	35 Å²	35	26.5 Å²	26.5	19%	0.187	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	43.2	174.4	-158.5	34.1	0	0	0	114.5	Q489 K490 Q491 P530 I532 R688 L798	Q489-N493 PolarHBondContact O-N 2.94Å; K490-N493 PolarHBondContact O-N 3.04Å; Q491-N493 PolarHBondContact O-N 2.92Å; N493-P530 PolarHBondContact ND2-O 3.42Å; N493-I532 HydrophobicContact CB-CG2 4.1Å; N493-R688 PolarHBondContact O-NH2 3.03Å; N493-L798 HydrophobicContact CB-CD1 3.96Å; N493-L798 HydrophobicContact CB-CD2 3.98Å; N493-L798 WeakPolarHBondContact OD1-CD2 3.41Å
494	Y	96.8	Very high	95.8	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.008	13%	0.134	C	C	.	.			trans	-70.5	142.3	165.8	-74.6	-115.7	0	0	0	109.5	Q489 F492 L499 I503 A685 R688 L708 I809	Q489-Y494 HydrophobicContact CB-CD2 4.41Å; Q489-Y494 HydrophobicContact CB-CG 4.26Å; Q489-Y494 HydrophobicContact CG-CD1 4.48Å; Q489-Y494 HydrophobicContact CG-CD2 4.44Å; Q489-Y494 HydrophobicContact CG-CG 4.2Å; Q489-Y494 WeakPolarHBondContact O-CB 3.29Å; Q489-Y494 PolarHBondContact O-N 3.27Å; F492-Y494 VanDerWaalsContact C-N 3.33Å; F492-Y494 HydrophobicContact CB-CD2 3.95Å; F492-Y494 HydrophobicContact CB-CE2 3.84Å; F492-Y494 PolarHBondContact O-N 3.11Å; Y494-L499 HydrophobicContact CD1-CD2 3.73Å; Y494-I503 HydrophobicContact CD1-CD1 3.84Å; Y494-I503 HydrophobicContact CE1-CD1 3.51Å; Y494-A685 VanDerWaalsContact CE2-O 3.23Å; Y494-A685 WeakPolarHBondContact CE2-O 3.49Å; Y494-A685 PolarHBondContact OH-O 3.16Å; Y494-R688 HydrophobicContact CE1-CB 4.19Å; Y494-R688 VanDerWaalsContact CE1-CD 3.45Å; Y494-R688 HydrophobicContact CE1-CG 4.48Å; Y494-L708 HydrophobicContact CD2-CD2 4.21Å; Y494-L708 HydrophobicContact CE2-CD2 3.52Å; Y494-L708 HydrophobicContact CE2-CG 4.2Å; Y494-I809 VanDerWaalsContact O-CG2 3.29Å; Y494-I809 WeakPolarHBondContact O-CG2 3.33Å
495	S	95.3	Very high	95.8	Very high	11 Å²	11	23.8 Å²	23.8	8%	0.077	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-114.1	153.4	172.3	65.3	0	0	0	0	112.4	E497 E498 L499 S810	S495-E497 PolarHBondContact O-N 2.98Å; S495-E498 WeakPolarHBondContact CB-OE2 3.34Å; S495-E498 PolarHBondContact N-OE2 3.41Å; S495-E498 PolarHBondContact O-N 3.3Å; S495-E498 VanDerWaalsContact O-N 3.11Å; S495-E498 WeakPolarHBondContact OG-CG 3.32Å; S495-E498 PolarHBondContact OG-N 2.98Å; S495-E498 PolarHBondContact OG-OE2 2.89Å; S495-L499 WeakPolarHBondContact O-CG 3.26Å; S495-L499 PolarHBondContact O-N 3.37Å; S495-S810 CarbonylContact C-O 3.38Å; S495-S810 VanDerWaalsContact CA-O 3.31Å; S495-S810 WeakPolarHBondContact CA-O 3.12Å
496	A	95	Very high	95.8	Very high	31 Å²	31	23.9 Å²	23.9	26%	0.256	13%	0.13	S	C	.	.	H	α-helix	trans	-60	-32.6	175.9	0	0	0	0	0	112.1	L499 D500 S810	A496-L499 PolarHBondContact O-N 3.07Å; A496-D500 PolarHBondContact O-N 3Å; A496-D500 VanDerWaalsContact O-N 3.07Å; A496-S810 PolarHBondContact N-O 3.14Å
497	E	94.5	Very high	95.8	Very high	18 Å²	18	23 Å²	23	8%	0.084	12%	0.123	C	C	.	.	H	α-helix	trans	-60.2	-47.4	171.1	178.4	177.4	-129.7	0	0	112.6	S495 S501 Q811 G813 L814 L815 K816	S495-E497 PolarHBondContact O-N 2.98Å; E497-S501 VanDerWaalsContact O-CB 3.28Å; E497-S501 WeakPolarHBondContact O-CB 3.43Å; E497-S501 PolarHBondContact O-N 2.94Å; E497-Q811 VanDerWaalsContact CB-O 3.29Å; E497-Q811 WeakPolarHBondContact CB-O 3.2Å; E497-Q811 PolarHBondContact N-O 3.48Å; E497-G813 WeakPolarHBondContact OE2-CA 3.37Å; E497-G813 PolarHBondContact OE2-N 3.42Å; E497-L814 PolarHBondContact OE2-N 2.77Å; E497-L815 VanDerWaalsContact CD-N 3.35Å; E497-L815 HydrophobicContact CG-CB 4.2Å; E497-L815 HydrophobicContact CG-CD1 3.86Å; E497-L815 HydrophobicContact CG-CG 4.04Å; E497-L815 WeakPolarHBondContact OE1-CA 3.44Å; E497-L815 VanDerWaalsContact OE1-CB 3.28Å; E497-L815 WeakPolarHBondContact OE1-CB 3.37Å; E497-L815 PolarHBondContact OE1-N 3.38Å; E497-L815 VanDerWaalsContact OE1-N 3.08Å; E497-L815 PolarHBondContact OE2-N 3.25Å; E497-K816 PolarHBondContact OE1-N 2.76Å
498	E	95	Very high	95.8	Very high	27 Å²	27	24.6 Å²	24.6	13%	0.126	13%	0.128	C	C	.	.	H	α-helix	trans	-64.5	-38.8	173.6	-71.1	160	106.2	0	0	111.9	S495 D500 V502 I503 R688	S495-E498 WeakPolarHBondContact CB-OE2 3.34Å; S495-E498 PolarHBondContact N-OE2 3.41Å; S495-E498 PolarHBondContact O-N 3.3Å; S495-E498 VanDerWaalsContact O-N 3.11Å; S495-E498 WeakPolarHBondContact OG-CG 3.32Å; S495-E498 PolarHBondContact OG-N 2.98Å; S495-E498 PolarHBondContact OG-OE2 2.89Å; E498-D500 PolarHBondContact O-N 2.9Å; E498-V502 WeakPolarHBondContact O-CA 3.32Å; E498-V502 WeakPolarHBondContact O-CB 3.32Å; E498-V502 PolarHBondContact O-N 2.85Å; E498-I503 PolarHBondContact O-N 3.27Å; E498-R688 IonicContact OE1-CZ 3.94Å; E498-R688 IonicContact OE1-NE 3.57Å; E498-R688 PolarHBondContact OE1-NE 3.21Å; E498-R688 IonicContact OE1-NH2 2.61Å; E498-R688 PolarHBondContact OE1-NH2 3.27Å; E498-R688 IonicContact OE2-NH2 2.72Å
499	L	96.4	Very high	95.5	Very high	29 Å²	29	27.6 Å²	27.6	15%	0.152	15%	0.146	C	C	.	.	I	π-helix	trans	-59.4	-48.4	179.6	-64.8	-162.6	0	0	0	111.7	Y494 S495 A496 I503 R504 T712 I809	Y494-L499 HydrophobicContact CD1-CD2 3.73Å; S495-L499 WeakPolarHBondContact O-CG 3.26Å; S495-L499 PolarHBondContact O-N 3.37Å; A496-L499 PolarHBondContact O-N 3.07Å; L499-I503 HydrophobicContact CD2-CD1 3.92Å; L499-R504 VanDerWaalsContact O-CB 3.22Å; L499-R504 WeakPolarHBondContact O-CB 3.47Å; L499-R504 PolarHBondContact O-N 2.77Å; L499-T712 HydrophobicContact CD2-CG2 3.66Å; L499-I809 HydrophobicContact CD1-CD1 4.27Å
500	D	94.1	Very high	95.3	Very high	84 Å²	84	27.7 Å²	27.7	45%	0.449	15%	0.148	S	C	.	.	I	π-helix	trans	-84.8	-43	-176.6	-176.5	67.4	0	0	0	113.3	A496 E498 R504	A496-D500 PolarHBondContact O-N 3Å; A496-D500 VanDerWaalsContact O-N 3.07Å; E498-D500 PolarHBondContact O-N 2.9Å; D500-R504 WeakPolarHBondContact OD1-CD 3.39Å; D500-R504 IonicContact OD1-CZ 3.8Å; D500-R504 IonicContact OD1-NH1 3.92Å; D500-R504 PolarHBondContact OD1-NH1 2.99Å
501	S	92.1	Very high	95	Very high	31 Å²	31	31.9 Å²	31.9	22%	0.217	17%	0.168	C	C	.	.	I	π-helix	trans	-91	-12.3	-174.2	-65.1	0	0	0	0	115	E497 V505 A513	E497-S501 VanDerWaalsContact O-CB 3.28Å; E497-S501 WeakPolarHBondContact O-CB 3.43Å; E497-S501 PolarHBondContact O-N 2.94Å; S501-V505 WeakPolarHBondContact O-CG2 3.28Å; S501-A513 WeakPolarHBondContact O-CB 3.46Å
502	V	95.1	Very high	94.8	Very high	23 Å²	23	33.3 Å²	33.3	14%	0.139	17%	0.174	C	C	.	.	I	π-helix	trans	-121.4	-64	179.5	-175.3	0	0	0	0	111.4	E498 V505 L506 D689 L815	E498-V502 WeakPolarHBondContact O-CA 3.32Å; E498-V502 WeakPolarHBondContact O-CB 3.32Å; E498-V502 PolarHBondContact O-N 2.85Å; V502-V505 PolarHBondContact O-N 2.83Å; V502-L506 HydrophobicContact CG1-CD1 4.04Å; V502-L506 WeakPolarHBondContact O-CG 3.48Å; V502-L506 PolarHBondContact O-N 2.64Å; V502-D689 HydrophobicContact CG1-CB 4Å; V502-L815 HydrophobicContact CG2-CD1 4.08Å
503	I	97.1	Very high	94.4	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.178	C	C	.	.	I	π-helix	trans	-68.4	-50.3	-171	-62.4	-178.5	0	0	0	111.1	Y494 E498 L499 V505 L506 G507 R688 T712 L713	Y494-I503 HydrophobicContact CD1-CD1 3.84Å; Y494-I503 HydrophobicContact CE1-CD1 3.51Å; E498-I503 PolarHBondContact O-N 3.27Å; L499-I503 HydrophobicContact CD2-CD1 3.92Å; I503-V505 VanDerWaalsContact C-N 3.34Å; I503-V505 PolarHBondContact O-N 2.9Å; I503-L506 PolarHBondContact O-N 3.1Å; I503-G507 PolarHBondContact O-N 3.11Å; I503-R688 HydrophobicContact CD1-CB 4.05Å; I503-R688 HydrophobicContact CG1-CB 4.47Å; I503-T712 HydrophobicContact CG2-CG2 4.27Å; I503-L713 HydrophobicContact CG2-CD1 4.44Å; I503-L713 HydrophobicContact CG2-CD2 3.8Å; I503-L713 HydrophobicContact CG2-CG 3.83Å
504	R	96.8	Very high	94.2	Very high	76 Å²	76	34.8 Å²	34.8	29%	0.287	19%	0.188	S	C	.	.	H	α-helix	trans	-56.6	-46.9	175	178	-166.9	173.1	168.7	7.9	111.4	L499 D500 L506 G507 E508 L716 A721 I722	L499-R504 VanDerWaalsContact O-CB 3.22Å; L499-R504 WeakPolarHBondContact O-CB 3.47Å; L499-R504 PolarHBondContact O-N 2.77Å; D500-R504 WeakPolarHBondContact OD1-CD 3.39Å; D500-R504 IonicContact OD1-CZ 3.8Å; D500-R504 IonicContact OD1-NH1 3.92Å; D500-R504 PolarHBondContact OD1-NH1 2.99Å; R504-L506 VanDerWaalsContact C-N 3.32Å; R504-L506 PolarHBondContact O-N 3.19Å; R504-G507 PolarHBondContact O-N 3.01Å; R504-E508 IonicContact CZ-OE2 3.07Å; R504-E508 IonicContact NE-OE2 3.62Å; R504-E508 PolarHBondContact NE-OE2 3.03Å; R504-E508 IonicContact NH2-OE2 2.65Å; R504-E508 PolarHBondContact NH2-OE2 3.06Å; R504-E508 WeakPolarHBondContact O-CB 3.46Å; R504-E508 PolarHBondContact O-N 3.4Å; R504-L716 HydrophobicContact CB-CD1 4.09Å; R504-A721 PolarHBondContact NH2-O 2.89Å; R504-I722 HydrophobicContact CG-CD1 4.05Å; R504-I722 HydrophobicContact CG-CG1 3.97Å
505	V	95.1	Very high	93.9	Very high	31 Å²	31	35 Å²	35	19%	0.188	19%	0.191	C	C	.	.	H	α-helix	trans	-60.5	-41.9	-179.7	-178.2	0	0	0	0	111.5	S501 V502 I503 N509 A513	S501-V505 WeakPolarHBondContact O-CG2 3.28Å; V502-V505 PolarHBondContact O-N 2.83Å; I503-V505 VanDerWaalsContact C-N 3.34Å; I503-V505 PolarHBondContact O-N 2.9Å; V505-N509 WeakPolarHBondContact O-CB 3.32Å; V505-N509 PolarHBondContact O-N 3.4Å; V505-A513 HydrophobicContact CB-CB 4.3Å; V505-A513 HydrophobicContact CG1-CB 3.99Å; V505-A513 HydrophobicContact CG2-CB 4.34Å
506	L	96.6	Very high	93.8	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-62.8	-45.6	175.6	-76.7	163.3	0	0	0	112.3	V502 I503 R504 G510 E512 N732 Y733 I737	V502-L506 HydrophobicContact CG1-CD1 4.04Å; V502-L506 WeakPolarHBondContact O-CG 3.48Å; V502-L506 PolarHBondContact O-N 2.64Å; I503-L506 PolarHBondContact O-N 3.1Å; R504-L506 VanDerWaalsContact C-N 3.32Å; R504-L506 PolarHBondContact O-N 3.19Å; L506-G510 VanDerWaalsContact O-CA 3.31Å; L506-G510 WeakPolarHBondContact O-CA 3.25Å; L506-G510 PolarHBondContact O-N 2.93Å; L506-E512 HydrophobicContact CD2-CG 4.23Å; L506-N732 CarbonylContact O-C 3.59Å; L506-Y733 HydrophobicContact CB-CD2 3.64Å; L506-Y733 HydrophobicContact CB-CE2 4.11Å; L506-Y733 HydrophobicContact CD1-CD2 4.25Å; L506-Y733 HydrophobicContact CD1-CE2 3.85Å; L506-I737 HydrophobicContact CD1-CD1 3.87Å; L506-I737 HydrophobicContact CD2-CD1 4.41Å
507	G	96.1	Very high	93.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-72.6	-33.1	178.3	0	0	0	0	0	114.5	I503 R504 N732	I503-G507 PolarHBondContact O-N 3.11Å; R504-G507 PolarHBondContact O-N 3.01Å; G507-N732 WeakPolarHBondContact O-CB 3.37Å; G507-N732 PolarHBondContact O-ND2 2.76Å
508	E	95.5	Very high	93.6	Very high	52 Å²	52	32.6 Å²	32.6	24%	0.243	17%	0.173	C	C	.	.	H	α-helix	trans	-81	-43.3	-178.7	-170.7	163.6	-172.1	0	0	111.6	R504 I722 K724 N732	R504-E508 IonicContact CZ-OE2 3.07Å; R504-E508 IonicContact NE-OE2 3.62Å; R504-E508 PolarHBondContact NE-OE2 3.03Å; R504-E508 IonicContact NH2-OE2 2.65Å; R504-E508 PolarHBondContact NH2-OE2 3.06Å; R504-E508 WeakPolarHBondContact O-CB 3.46Å; R504-E508 PolarHBondContact O-N 3.4Å; E508-I722 HydrophobicContact CB-CD1 4.39Å; E508-I722 HydrophobicContact CB-CG1 4.4Å; E508-I722 HydrophobicContact CB-CG2 4.18Å; E508-I722 HydrophobicContact CG-CG2 4.16Å; E508-K724 PolarHBondContact O-NZ 2.76Å; E508-N732 PolarHBondContact O-ND2 3.01Å
509	N	91.3	Very high	93.6	Very high	91 Å²	91	31.6 Å²	31.6	49%	0.487	17%	0.169	S	C	.	.	H	α-helix	trans	-109.6	-12.3	-171.7	-63.4	-29.4	0	0	0	115.2	V505 Q511	V505-N509 WeakPolarHBondContact O-CB 3.32Å; V505-N509 PolarHBondContact O-N 3.4Å; N509-Q511 VanDerWaalsContact C-N 3.29Å; N509-Q511 HydrophobicContact CB-CG 4.03Å; N509-Q511 PolarHBondContact O-N 2.92Å
510	G	92.8	Very high	93.5	Very high	4 Å²	4	30.7 Å²	30.7	4%	0.041	16%	0.164	C	C	.	.	S	Bend	trans	65.8	30	-179	0	0	0	0	0	114.3	L506 N732 K739	L506-G510 VanDerWaalsContact O-CA 3.31Å; L506-G510 WeakPolarHBondContact O-CA 3.25Å; L506-G510 PolarHBondContact O-N 2.93Å; G510-N732 WeakPolarHBondContact CA-O 3.45Å; G510-K739 PolarHBondContact O-NZ 3.17Å
511	Q	90.7	Very high	93.5	Very high	104 Å²	104	26.7 Å²	26.7	49%	0.486	14%	0.143	S	C	.	.	S	Bend	trans	-158.5	158.4	178.7	62.5	-172.3	1.2	0	0	110.9	N509	N509-Q511 VanDerWaalsContact C-N 3.29Å; N509-Q511 HydrophobicContact CB-CG 4.03Å; N509-Q511 PolarHBondContact O-N 2.92Å
512	E	90.8	Very high	93.6	Very high	31 Å²	31	25.6 Å²	25.6	15%	0.145	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-66.1	151.5	176.6	-62.9	178.8	88.8	0	0	112.3	L506 P690 G740 K743 S1067	L506-E512 HydrophobicContact CD2-CG 4.23Å; E512-P690 HydrophobicContact CG-CG 3.87Å; E512-G740 WeakPolarHBondContact OE2-CA 3.38Å; E512-K743 IonicContact OE1-NZ 2.66Å; E512-K743 PolarHBondContact OE1-NZ 3.18Å; E512-K743 IonicContact OE2-NZ 3.45Å; E512-K743 PolarHBondContact OE2-NZ 3.43Å; E512-S1067 VanDerWaalsContact OE1-CB 3.31Å; E512-S1067 WeakPolarHBondContact OE1-CB 3.39Å; E512-S1067 PolarHBondContact OE1-OG 2.85Å
513	A	89.8	Confident	93.4	Very high	18 Å²	18	25 Å²	25	15%	0.149	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-69.1	135.2	171.1	0	0	0	0	0	111.8	S501 V505 L1066	S501-A513 WeakPolarHBondContact O-CB 3.46Å; V505-A513 HydrophobicContact CB-CB 4.3Å; V505-A513 HydrophobicContact CG1-CB 3.99Å; V505-A513 HydrophobicContact CG2-CB 4.34Å; A513-L1066 HydrophobicContact CB-CD1 3.79Å; A513-L1066 HydrophobicContact CB-CG 4.4Å; A513-L1066 PolarHBondContact O-N 3.01Å
514	V	90.4	Very high	93.2	Very high	65 Å²	65	25 Å²	25	39%	0.394	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	136.4	171.2	178.6	0	0	0	0	108.8	A1063 S1064 H1140	V514-A1063 HydrophobicContact CG1-CB 4.28Å; V514-S1064 CarbonylContact C-O 3.53Å; V514-S1064 WeakPolarHBondContact CA-O 3.41Å; V514-H1140 HydrophobicContact CG1-CB 4.3Å; V514-H1140 PolarHBondContact O-NE2 2.86Å
515	G	91.9	Very high	93	Very high	7 Å²	7	21.4 Å²	21.4	7%	0.072	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	-167.8	175.6	0	0	0	0	0	112.7	A1063 S1064	G515-A1063 WeakPolarHBondContact O-CA 3.45Å; G515-S1064 PolarHBondContact N-O 3.25Å; G515-S1064 PolarHBondContact O-N 3.25Å; G515-S1064 VanDerWaalsContact O-N 3.08Å
516	S	93.7	Very high	93	Very high	4 Å²	4	20 Å²	20	3%	0.028	11%	0.109	C	C	.	.			trans	-155.9	168.5	178.2	60.1	0	0	0	0	112.4	G1062 R1137 C1139 H1140	S516-G1062 VanDerWaalsContact CB-O 3.26Å; S516-G1062 WeakPolarHBondContact CB-O 3.43Å; S516-R1137 PolarHBondContact OG-O 3.16Å; S516-C1139 PolarHBondContact OG-N 2.84Å; S516-C1139 VanDerWaalsContact OG-N 3.15Å; S516-H1140 PolarHBondContact OG-ND1 3.23Å; S516-H1140 VanDerWaalsContact OG-ND1 3.12Å
517	M	94.2	Very high	92.9	Very high	4 Å²	4	20 Å²	20	2%	0.02	11%	0.109	C	C	.	.	S	Bend	trans	65.3	170.2	-162.6	-49.6	-50.2	-68.2	0	0	113.2	T1061 T1125 M1128 Y1135 R1137	M517-T1061 PolarHBondContact N-O 2.88Å; M517-T1125 HydrophobicContact CE-CG2 3.81Å; M517-M1128 HydrophobicContact CE-CE 4.41Å; M517-M1128 HydrophobicContact CE-SD 4.34Å; M517-M1128 HydrophobicContact SD-CE 4.47Å; M517-Y1135 HydrophobicContact CB-CE2 3.83Å; M517-Y1135 HydrophobicContact CE-CD2 3.86Å; M517-Y1135 HydrophobicContact CE-CE2 3.48Å; M517-Y1135 VanDerWaalsContact CE-CE2 3.48Å; M517-Y1135 HydrophobicContact CG-CD2 4.16Å; M517-Y1135 HydrophobicContact CG-CE2 3.8Å; M517-Y1135 HydrophobicContact SD-CE2 4.46Å; M517-R1137 HydrophobicContact CB-CG 4.26Å; M517-R1137 HydrophobicContact CG-CG 4.09Å
518	G	90.3	Very high	92.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.14	C	C	.	.			trans	-83.3	176	-178.7	0	0	0	0	0	112.9	D520 G1059 R1137	G518-D520 PolarHBondContact O-N 3.49Å; G518-G1059 WeakPolarHBondContact CA-O 3.33Å; G518-R1137 PolarHBondContact O-NH1 2.98Å
519	D	94.2	Very high	92.2	Very high	7 Å²	7	25.5 Å²	25.5	4%	0.037	15%	0.145	C	C	.	.			trans	-83.5	107.8	168.8	-169.8	5.1	0	0	0	110.5	T521 R538 Y1057 D1058 V1069 K1070	D519-T521 PolarHBondContact OD1-N 3.29Å; D519-T521 VanDerWaalsContact OD1-N 3.09Å; D519-T521 PolarHBondContact OD1-OG1 2.74Å; D519-R538 IonicContact OD2-NH1 3.14Å; D519-Y1057 HydrophobicContact CB-CD2 3.92Å; D519-Y1057 HydrophobicContact CB-CE2 3.9Å; D519-D1058 WeakPolarHBondContact O-CA 3.29Å; D519-D1058 WeakPolarHBondContact O-CB 3.36Å; D519-V1069 HydrophobicContact CB-CG1 4.16Å; D519-K1070 HydrophobicContact CB-CD 4.29Å; D519-K1070 IonicContact OD1-NZ 3.97Å; D519-K1070 PolarHBondContact OD1-NZ 2.66Å; D519-K1070 WeakPolarHBondContact OD2-CD 3.41Å; D519-K1070 IonicContact OD2-NZ 3.43Å
520	D	94.8	Very high	92.2	Very high	9 Å²	9	22.8 Å²	22.8	5%	0.048	13%	0.132	C	C	.	.			trans	-110.1	15.8	178	69.7	-32.4	0	0	0	112.3	G518 H824 A825 Y826 Y1135 R1137	G518-D520 PolarHBondContact O-N 3.49Å; D520-H824 IonicContact OD1-CE1 3.3Å; D520-H824 IonicContact OD1-CG 3.66Å; D520-H824 IonicContact OD1-ND1 3.37Å; D520-H824 PolarHBondContact OD1-ND1 2.84Å; D520-H824 IonicContact OD2-CG 3.44Å; D520-H824 IonicContact OD2-ND1 2.81Å; D520-H824 PolarHBondContact OD2-ND1 3.04Å; D520-A825 HydrophobicContact CB-CB 4.05Å; D520-A825 PolarHBondContact O-N 2.67Å; D520-Y826 HydrophobicContact CB-CD2 4.29Å; D520-Y826 PolarHBondContact OD2-N 2.95Å; D520-Y1135 WeakPolarHBondContact OD2-CE1 3.44Å; D520-R1137 IonicContact OD1-CZ 3.92Å; D520-R1137 IonicContact OD1-NH2 3.96Å; D520-R1137 PolarHBondContact OD1-NH2 2.88Å; D520-R1137 IonicContact OD2-NH2 3.72Å
521	T	95	Very high	92.2	Very high	1 Å²	1	24 Å²	24	1%	0.006	14%	0.136	C	C	.	.	S	Bend	trans	-89.1	156.2	172.6	61.7	0	0	0	0	111	D519 L814 E822 H824 Y1057 K1070	D519-T521 PolarHBondContact OD1-N 3.29Å; D519-T521 VanDerWaalsContact OD1-N 3.09Å; D519-T521 PolarHBondContact OD1-OG1 2.74Å; T521-L814 HydrophobicContact CG2-CD1 4.33Å; T521-E822 HydrophobicContact CG2-CG 4.17Å; T521-H824 WeakPolarHBondContact CG2-CE1 3.5Å; T521-Y1057 PolarHBondContact O-OH 2.98Å; T521-K1070 PolarHBondContact OG1-NZ 3.2Å
522	P	93.5	Very high	92.4	Very high	7 Å²	7	20.3 Å²	20.3	5%	0.045	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-57.3	143.4	172.3	-21.4	29.9	0	0	0	112.3	L526 Y823 T859	P522-L526 HydrophobicContact CB-CB 3.95Å; P522-Y823 WeakPolarHBondContact CD-O 3.21Å; P522-T859 WeakPolarHBondContact CA-O 3.36Å; P522-T859 HydrophobicContact CG-CG2 4.03Å
523	F	90.1	Very high	92.7	Very high	10 Å²	10	19.2 Å²	19.2	4%	0.044	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-54.9	153.7	161.4	-103.6	-89.8	0	0	0	110.7	V525 L526 S527 R538 V765 Y1057 P1075	F523-V525 PolarHBondContact O-N 2.6Å; F523-V525 VanDerWaalsContact O-N 3.08Å; F523-L526 HydrophobicContact CB-CD1 4.29Å; F523-L526 HydrophobicContact CB-CG 4.33Å; F523-L526 CarbonylContact O-C 3.05Å; F523-L526 WeakPolarHBondContact O-CA 3.33Å; F523-L526 WeakPolarHBondContact O-CB 3.44Å; F523-L526 PolarHBondContact O-N 2.75Å; F523-S527 PolarHBondContact O-N 2.79Å; F523-R538 HydrophobicContact CE1-CG 3.66Å; F523-R538 HydrophobicContact CZ-CG 3.88Å; F523-V765 HydrophobicContact CD1-CB 3.84Å; F523-V765 HydrophobicContact CD1-CG1 3.51Å; F523-V765 HydrophobicContact CE1-CB 3.62Å; F523-V765 HydrophobicContact CE1-CG1 3.56Å; F523-V765 HydrophobicContact CE1-CG2 3.88Å; F523-V765 HydrophobicContact CG-CG1 4.18Å; F523-V765 HydrophobicContact CZ-CG1 4.27Å; F523-V765 HydrophobicContact CZ-CG2 4.49Å; F523-Y1057 HydrophobicContact CD2-CE1 4.04Å; F523-Y1057 HydrophobicContact CD2-CE2 4.13Å; F523-Y1057 AromaticContact CD2-CZ 3.7Å; F523-Y1057 AromaticContact CE2-CD1 3.78Å; F523-Y1057 HydrophobicContact CE2-CD1 3.78Å; F523-Y1057 AromaticContact CE2-CD2 3.97Å; F523-Y1057 HydrophobicContact CE2-CD2 3.97Å; F523-Y1057 AromaticContact CE2-CE1 3.53Å; F523-Y1057 HydrophobicContact CE2-CE1 3.53Å; F523-Y1057 AromaticContact CE2-CE2 3.72Å; F523-Y1057 HydrophobicContact CE2-CE2 3.72Å; F523-Y1057 AromaticContact CE2-CG 4Å; F523-Y1057 HydrophobicContact CE2-CG 4Å; F523-Y1057 AromaticContact CE2-CZ 3.49Å; F523-Y1057 VanDerWaalsContact CE2-CZ 3.49Å; F523-P1075 HydrophobicContact CD2-CG 4.06Å; F523-P1075 HydrophobicContact CE2-CG 3.57Å; F523-P1075 HydrophobicContact CZ-CG 4.08Å
524	A	93	Very high	93.1	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.008	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-35.7	-170.3	0	0	0	0	0	114.5	R531 D535 Y536	A524-R531 HydrophobicContact CB-CB 3.98Å; A524-R531 HydrophobicContact CB-CG 4.32Å; A524-D535 HydrophobicContact CB-CB 3.68Å; A524-Y536 HydrophobicContact CB-CD1 4Å; A524-Y536 HydrophobicContact CB-CD2 3.51Å; A524-Y536 HydrophobicContact CB-CE1 3.96Å; A524-Y536 HydrophobicContact CB-CE2 3.45Å; A524-Y536 VanDerWaalsContact CB-CE2 3.45Å; A524-Y536 HydrophobicContact CB-CG 3.8Å; A524-Y536 PolarHBondContact O-OH 2.58Å
525	V	94.1	Very high	93.3	Very high	1 Å²	1	16 Å²	16	1%	0.006	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-26.5	175.2	70.2	0	0	0	0	114.1	F523 Y536 K1209 L1213	F523-V525 PolarHBondContact O-N 2.6Å; F523-V525 VanDerWaalsContact O-N 3.08Å; V525-Y536 HydrophobicContact CB-CD1 4.46Å; V525-Y536 HydrophobicContact CB-CE1 3.89Å; V525-K1209 HydrophobicContact CG2-CB 4.1Å; V525-L1213 HydrophobicContact CG1-CD2 4.01Å; V525-L1213 HydrophobicContact CG2-CD2 3.92Å; V525-L1213 HydrophobicContact CG2-CG 4.39Å
526	L	94.3	Very high	93.5	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.01	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-23.8	177.1	-62.3	-179	0	0	0	111.9	P522 F523 T859 L861 L864 Q1210 L1213	P522-L526 HydrophobicContact CB-CB 3.95Å; F523-L526 HydrophobicContact CB-CD1 4.29Å; F523-L526 HydrophobicContact CB-CG 4.33Å; F523-L526 CarbonylContact O-C 3.05Å; F523-L526 WeakPolarHBondContact O-CA 3.33Å; F523-L526 WeakPolarHBondContact O-CB 3.44Å; F523-L526 PolarHBondContact O-N 2.75Å; L526-T859 WeakPolarHBondContact CD1-O 3.48Å; L526-L861 HydrophobicContact CD1-CD2 4.37Å; L526-L864 HydrophobicContact CD2-CD1 3.88Å; L526-Q1210 HydrophobicContact CD2-CG 4.27Å; L526-Q1210 PolarHBondContact O-NE2 2.88Å; L526-L1213 HydrophobicContact CD2-CD1 3.7Å
527	S	93.8	Very high	93.7	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.014	9%	0.087	C	C	.	.			trans	-58.9	140.6	176.3	-178.2	0	0	0	0	112.5	F523 Q529 E822	F523-S527 PolarHBondContact O-N 2.79Å; S527-Q529 VanDerWaalsContact C-N 3.33Å; S527-Q529 WeakPolarHBondContact OG-CB 3.18Å; S527-Q529 PolarHBondContact OG-N 2.77Å; S527-Q529 PolarHBondContact OG-O 2.81Å; S527-E822 WeakPolarHBondContact CB-OE2 3.43Å; S527-E822 PolarHBondContact OG-OE1 3.12Å; S527-E822 VanDerWaalsContact OG-OE1 3.05Å; S527-E822 PolarHBondContact OG-OE2 2.93Å
528	S	88.6	Confident	93.7	Very high	93 Å²	93	15.6 Å²	15.6	65%	0.65	9%	0.087	S	C	*	.	S	Bend	trans	-84.3	-8.4	167.6	59.4	0	0	0	0	113
529	Q	89.7	Confident	94	Very high	75 Å²	75	15.7 Å²	15.7	35%	0.35	9%	0.088	S	C	.	.	S	Bend	trans	-92.7	155.8	177.8	-56.6	-66.6	-9.5	0	0	110.6	S527 R531 G821	S527-Q529 VanDerWaalsContact C-N 3.33Å; S527-Q529 WeakPolarHBondContact OG-CB 3.18Å; S527-Q529 PolarHBondContact OG-N 2.77Å; S527-Q529 PolarHBondContact OG-O 2.81Å; Q529-R531 PolarHBondContact O-N 2.97Å; Q529-G821 PolarHBondContact NE2-O 2.86Å; Q529-G821 VanDerWaalsContact NE2-O 3.17Å
530	P	90.7	Very high	94	Very high	34 Å²	34	16.7 Å²	16.7	22%	0.221	9%	0.092	C	C	.	.			trans	-63.9	127.1	168.3	-20.6	33.5	0	0	0	110.7	N493 D794 L798	N493-P530 PolarHBondContact ND2-O 3.42Å; P530-D794 HydrophobicContact CB-CB 4.4Å; P530-L798 HydrophobicContact CB-CD2 4.35Å; P530-L798 HydrophobicContact CB-CG 4.39Å
531	R	93.4	Very high	94	Very high	30 Å²	30	16.3 Å²	16.3	11%	0.113	9%	0.09	C	C	.	.			trans	-120.6	145.2	-179.4	-60.7	-58.6	-62.7	-96.3	-10.9	110.1	A524 Q529 D535 Y536 L814 E822	A524-R531 HydrophobicContact CB-CB 3.98Å; A524-R531 HydrophobicContact CB-CG 4.32Å; Q529-R531 PolarHBondContact O-N 2.97Å; R531-D535 IonicContact CZ-OD2 3.7Å; R531-D535 VanDerWaalsContact CZ-OD2 3.24Å; R531-D535 IonicContact NE-OD2 3.77Å; R531-D535 PolarHBondContact NE-OD2 3.04Å; R531-D535 VanDerWaalsContact NH2-CG 3.25Å; R531-D535 IonicContact NH2-OD1 3.23Å; R531-D535 IonicContact NH2-OD2 3.43Å; R531-D535 PolarHBondContact NH2-OD2 3.17Å; R531-Y536 HydrophobicContact CB-CE2 4.35Å; R531-L814 VanDerWaalsContact NH2-CD1 3.35Å; R531-E822 IonicContact CZ-OE2 2.65Å; R531-E822 IonicContact NH1-OE2 3.11Å; R531-E822 PolarHBondContact NH1-OE2 3.36Å
532	I	94.9	Very high	93.9	Very high	26 Å²	26	16.4 Å²	16.4	13%	0.133	9%	0.091	C	C	.	.			trans	-75.5	150.9	179.4	59.8	-174.5	0	0	0	109.9	N493 Y534 D535 H692	N493-I532 HydrophobicContact CB-CG2 4.1Å; I532-Y534 HydrophobicContact CB-CD2 4.4Å; I532-Y534 HydrophobicContact CD1-CD2 4.06Å; I532-Y534 HydrophobicContact CG1-CD2 4.27Å; I532-Y534 PolarHBondContact O-N 3.14Å; I532-Y534 VanDerWaalsContact O-N 3.11Å; I532-D535 WeakPolarHBondContact O-CB 3.07Å; I532-D535 PolarHBondContact O-N 3.09Å; I532-H692 WeakPolarHBondContact CD1-CE1 3.2Å
533	I	96.2	Very high	93.8	Very high	8 Å²	8	16.1 Å²	16.1	4%	0.041	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-60.9	-26.1	-175	-160.1	177.6	0	0	0	113.3	D535 Y536 F537 P657 P659 M660 F776 F791	I533-D535 PolarHBondContact O-N 2.8Å; I533-Y536 WeakPolarHBondContact O-CB 3.27Å; I533-Y536 PolarHBondContact O-N 2.92Å; I533-F537 HydrophobicContact CG1-CE2 4.24Å; I533-F537 WeakPolarHBondContact O-CD2 3.48Å; I533-P657 HydrophobicContact CB-CB 4.43Å; I533-P657 HydrophobicContact CD1-CB 4.42Å; I533-P657 HydrophobicContact CG2-CB 3.95Å; I533-P659 HydrophobicContact CG2-CB 4.18Å; I533-P659 HydrophobicContact CG2-CG 3.75Å; I533-M660 HydrophobicContact CD1-CE 3.54Å; I533-M660 HydrophobicContact CD1-CG 3.49Å; I533-M660 VanDerWaalsContact CD1-CG 3.49Å; I533-M660 HydrophobicContact CD1-SD 4.16Å; I533-F776 HydrophobicContact CD1-CE2 3.92Å; I533-F776 HydrophobicContact CD1-CZ 3.8Å; I533-F791 HydrophobicContact CB-CE1 4.25Å; I533-F791 HydrophobicContact CG1-CE1 4.09Å; I533-F791 HydrophobicContact CG1-CZ 4.08Å
534	Y	97.5	Very high	93.7	Very high	3 Å²	3	15.8 Å²	15.8	1%	0.012	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-56.8	-37.7	173.8	-58.8	-72.6	0	0	0	112.4	I532 Y536 F537 P659 S686 H691 H692 V695 L696	I532-Y534 HydrophobicContact CB-CD2 4.4Å; I532-Y534 HydrophobicContact CD1-CD2 4.06Å; I532-Y534 HydrophobicContact CG1-CD2 4.27Å; I532-Y534 PolarHBondContact O-N 3.14Å; I532-Y534 VanDerWaalsContact O-N 3.11Å; Y534-Y536 PolarHBondContact O-N 3.06Å; Y534-F537 PolarHBondContact O-N 3.31Å; Y534-P659 HydrophobicContact CD1-CG 3.92Å; Y534-P659 HydrophobicContact CE1-CG 3.29Å; Y534-P659 HydrophobicContact CE2-CG 4.46Å; Y534-S686 WeakPolarHBondContact CE2-O 3.25Å; Y534-S686 PolarHBondContact OH-OG 3.24Å; Y534-H691 PolarHBondContact O-NE2 2.88Å; Y534-H692 HydrophobicContact CD1-CB 3.83Å; Y534-H692 AromaticContact CD1-CG 3.94Å; Y534-H692 HydrophobicContact CD2-CB 4.23Å; Y534-H692 AromaticContact CD2-CE1 3.76Å; Y534-H692 AromaticContact CD2-CG 3.64Å; Y534-H692 AromaticContact CD2-ND1 3.46Å; Y534-H692 WeakPolarHBondContact CD2-ND1 3.34Å; Y534-H692 HydrophobicContact CE1-CB 3.76Å; Y534-H692 WeakPolarHBondContact CE1-O 3.39Å; Y534-H692 HydrophobicContact CE2-CB 4.19Å; Y534-H692 AromaticContact CE2-CG 3.95Å; Y534-H692 AromaticContact CE2-ND1 3.66Å; Y534-H692 HydrophobicContact CG-CB 4.06Å; Y534-H692 AromaticContact CG-CD2 3.73Å; Y534-H692 AromaticContact CG-CG 3.63Å; Y534-H692 AromaticContact CG-ND1 3.95Å; Y534-V695 HydrophobicContact CD1-CB 3.93Å; Y534-V695 HydrophobicContact CD1-CG1 3.94Å; Y534-V695 HydrophobicContact CD1-CG2 4.31Å; Y534-V695 HydrophobicContact CE1-CB 4.24Å; Y534-V695 HydrophobicContact CE1-CG1 4.17Å; Y534-L696 HydrophobicContact CE1-CG 4.16Å
535	D	95.6	Very high	93.2	Very high	12 Å²	12	15.8 Å²	15.8	6%	0.064	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-65	-13.1	-178.9	-62.4	-22.3	0	0	0	113.9	A524 R531 I532 I533	A524-D535 HydrophobicContact CB-CB 3.68Å; R531-D535 IonicContact CZ-OD2 3.7Å; R531-D535 VanDerWaalsContact CZ-OD2 3.24Å; R531-D535 IonicContact NE-OD2 3.77Å; R531-D535 PolarHBondContact NE-OD2 3.04Å; R531-D535 VanDerWaalsContact NH2-CG 3.25Å; R531-D535 IonicContact NH2-OD1 3.23Å; R531-D535 IonicContact NH2-OD2 3.43Å; R531-D535 PolarHBondContact NH2-OD2 3.17Å; I532-D535 WeakPolarHBondContact O-CB 3.07Å; I532-D535 PolarHBondContact O-N 3.09Å; I533-D535 PolarHBondContact O-N 2.8Å
536	Y	96.3	Very high	93	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-86.6	-9.8	176.8	-66.3	-105.8	0	0	0	112.6	A524 V525 R531 I533 Y534 A764 V765 G766 L767 A786 F791	A524-Y536 HydrophobicContact CB-CD1 4Å; A524-Y536 HydrophobicContact CB-CD2 3.51Å; A524-Y536 HydrophobicContact CB-CE1 3.96Å; A524-Y536 HydrophobicContact CB-CE2 3.45Å; A524-Y536 VanDerWaalsContact CB-CE2 3.45Å; A524-Y536 HydrophobicContact CB-CG 3.8Å; A524-Y536 PolarHBondContact O-OH 2.58Å; V525-Y536 HydrophobicContact CB-CD1 4.46Å; V525-Y536 HydrophobicContact CB-CE1 3.89Å; R531-Y536 HydrophobicContact CB-CE2 4.35Å; I533-Y536 WeakPolarHBondContact O-CB 3.27Å; I533-Y536 PolarHBondContact O-N 2.92Å; Y534-Y536 PolarHBondContact O-N 3.06Å; Y536-A764 WeakPolarHBondContact O-CA 3.46Å; Y536-V765 PolarHBondContact O-N 2.89Å; Y536-G766 WeakPolarHBondContact CE1-O 3.41Å; Y536-L767 HydrophobicContact CD1-CD2 3.51Å; Y536-L767 HydrophobicContact CD1-CG 4.16Å; Y536-L767 HydrophobicContact CD2-CD2 4.47Å; Y536-L767 HydrophobicContact CE1-CD2 4.15Å; Y536-L767 HydrophobicContact CG-CD2 3.69Å; Y536-L767 HydrophobicContact CG-CG 4.32Å; Y536-A786 HydrophobicContact CE1-CB 4.02Å; Y536-F791 HydrophobicContact CD2-CE1 4.3Å; Y536-F791 HydrophobicContact CD2-CZ 4.24Å; Y536-F791 HydrophobicContact CE1-CZ 4.15Å; Y536-F791 AromaticContact CE2-CE1 3.71Å; Y536-F791 HydrophobicContact CE2-CE1 3.71Å; Y536-F791 AromaticContact CE2-CZ 3.88Å; Y536-F791 HydrophobicContact CE2-CZ 3.88Å; Y536-F791 AromaticContact CZ-CE1 3.94Å; Y536-F791 AromaticContact CZ-CZ 3.83Å
537	F	96.7	Very high	92.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	128.4	179.1	-64	-75.4	0	0	0	111.2	I533 Y534 H691 V695 F699 F762 E763 A764 L767 F776	I533-F537 HydrophobicContact CG1-CE2 4.24Å; I533-F537 WeakPolarHBondContact O-CD2 3.48Å; Y534-F537 PolarHBondContact O-N 3.31Å; F537-H691 PolarHBondContact O-CE1 2.86Å; F537-H691 PolarHBondContact O-NE2 3.11Å; F537-V695 HydrophobicContact CB-CG2 3.99Å; F537-V695 HydrophobicContact CD2-CG1 3.92Å; F537-V695 HydrophobicContact CD2-CG2 4.21Å; F537-V695 HydrophobicContact CE2-CG1 4.1Å; F537-V695 HydrophobicContact CG-CG1 4.46Å; F537-V695 HydrophobicContact CG-CG2 4.25Å; F537-F699 AromaticContact CD1-CE2 3.93Å; F537-F699 HydrophobicContact CD1-CE2 3.93Å; F537-F699 HydrophobicContact CD1-CZ 4.14Å; F537-F699 AromaticContact CE1-CE2 3.52Å; F537-F699 HydrophobicContact CE1-CE2 3.52Å; F537-F699 AromaticContact CE1-CZ 3.58Å; F537-F699 HydrophobicContact CE1-CZ 3.58Å; F537-F699 HydrophobicContact CE2-CE2 4.42Å; F537-F699 AromaticContact CZ-CE2 3.8Å; F537-F699 HydrophobicContact CZ-CE2 3.8Å; F537-F699 HydrophobicContact CZ-CZ 4.17Å; F537-F762 HydrophobicContact CB-CB 4.2Å; F537-F762 HydrophobicContact CB-CD1 3.98Å; F537-F762 HydrophobicContact CB-CG 4.26Å; F537-F762 HydrophobicContact CD1-CB 3.96Å; F537-F762 HydrophobicContact CG-CB 4.5Å; F537-E763 CarbonylContact C-O 3.48Å; F537-E763 WeakPolarHBondContact CA-O 3.21Å; F537-A764 HydrophobicContact CD1-CB 4.34Å; F537-A764 HydrophobicContact CE1-CB 4.11Å; F537-L767 HydrophobicContact CE1-CD1 4.09Å; F537-L767 HydrophobicContact CE2-CD1 4.4Å; F537-L767 HydrophobicContact CZ-CD1 3.77Å; F537-F776 HydrophobicContact CE1-CD1 4.36Å; F537-F776 HydrophobicContact CE1-CG 4.33Å; F537-F776 HydrophobicContact CE2-CE1 4.41Å; F537-F776 HydrophobicContact CE2-CZ 4.28Å; F537-F776 AromaticContact CZ-CD1 3.87Å; F537-F776 HydrophobicContact CZ-CD1 3.87Å; F537-F776 AromaticContact CZ-CD2 3.99Å; F537-F776 HydrophobicContact CZ-CD2 3.99Å; F537-F776 AromaticContact CZ-CE1 3.75Å; F537-F776 HydrophobicContact CZ-CE1 3.75Å; F537-F776 AromaticContact CZ-CE2 3.87Å; F537-F776 HydrophobicContact CZ-CE2 3.87Å; F537-F776 AromaticContact CZ-CG 4Å; F537-F776 HydrophobicContact CZ-CG 4Å; F537-F776 AromaticContact CZ-CZ 3.75Å; F537-F776 HydrophobicContact CZ-CZ 3.75Å
538	R	95.3	Very high	92.9	Very high	6 Å²	6	16.4 Å²	16.4	2%	0.023	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.8	170.5	-56.1	-60.6	-76.7	-155.1	10.6	109.5	D519 F523 Q540 F762 E763 V765 K1070 Y1071 A1072 G1073	D519-R538 IonicContact OD2-NH1 3.14Å; F523-R538 HydrophobicContact CE1-CG 3.66Å; F523-R538 HydrophobicContact CZ-CG 3.88Å; R538-Q540 PolarHBondContact O-N 2.95Å; R538-F762 CarbonylContact O-C 3.57Å; R538-F762 WeakPolarHBondContact O-CA 3.39Å; R538-E763 PolarHBondContact N-O 2.65Å; R538-E763 PolarHBondContact O-N 3.16Å; R538-V765 HydrophobicContact CG-CG2 3.9Å; R538-K1070 PolarHBondContact NH1-O 2.88Å; R538-Y1071 CarbonylContact C-O 3.45Å; R538-Y1071 WeakPolarHBondContact CA-O 3.37Å; R538-A1072 PolarHBondContact NH2-O 3.39Å; R538-G1073 PolarHBondContact NE-O 3.01Å; R538-G1073 PolarHBondContact NH2-O 3.33Å
539	Q	96.5	Very high	93.1	Very high	3 Å²	3	12 Å²	12	1%	0.014	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	124.1	175.3	-67.8	164.8	1.9	0	0	109.5	H691 I744 F762 Y1071 A1072	Q539-H691 PolarHBondContact NE2-ND1 3.18Å; Q539-I744 HydrophobicContact CG-CG2 4.19Å; Q539-I744 VanDerWaalsContact NE2-CD1 3.29Å; Q539-F762 HydrophobicContact CG-CD1 4.32Å; Q539-F762 HydrophobicContact CG-CE1 3.85Å; Q539-Y1071 PolarHBondContact N-O 3.08Å; Q539-A1072 HydrophobicContact CB-CB 4.28Å
540	Q	94.7	Very high	93.2	Very high	28 Å²	28	8.5 Å²	8.5	13%	0.131	5%	0.045	C	C	.	.			trans	-73.9	159.8	166.6	-66.4	179.4	-7.8	0	0	110.3	R538 M748 L761	R538-Q540 PolarHBondContact O-N 2.95Å; Q540-M748 HydrophobicContact CB-CE 3.66Å; Q540-L761 HydrophobicContact CB-CB 4.49Å; Q540-L761 PolarHBondContact N-O 3.28Å; Q540-L761 VanDerWaalsContact N-O 3.11Å
541	F	94.9	Very high	93.2	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.04	C	C	.	.			trans	-147.5	166.9	-177.5	48.9	-89.5	0	0	0	111.5	Q543 K747 M748 P969 V1032 E1034	F541-Q543 HydrophobicContact CD2-CG 4.34Å; F541-Q543 HydrophobicContact CE2-CG 4.09Å; F541-K747 HydrophobicContact CB-CB 4.05Å; F541-M748 VanDerWaalsContact C-CE 3.42Å; F541-M748 VanDerWaalsContact O-CE 3.23Å; F541-M748 WeakPolarHBondContact O-CE 3.14Å; F541-P969 HydrophobicContact CD1-CB 3.58Å; F541-P969 HydrophobicContact CD1-CG 3.43Å; F541-P969 VanDerWaalsContact CD1-CG 3.43Å; F541-P969 HydrophobicContact CD2-CB 3.6Å; F541-P969 HydrophobicContact CD2-CG 4.39Å; F541-P969 HydrophobicContact CE1-CB 3.6Å; F541-P969 HydrophobicContact CE1-CG 3.42Å; F541-P969 VanDerWaalsContact CE1-CG 3.42Å; F541-P969 HydrophobicContact CE2-CB 3.57Å; F541-P969 HydrophobicContact CE2-CG 4.34Å; F541-P969 HydrophobicContact CG-CB 3.6Å; F541-P969 HydrophobicContact CG-CG 3.96Å; F541-P969 HydrophobicContact CZ-CB 3.6Å; F541-P969 HydrophobicContact CZ-CG 3.91Å; F541-V1032 HydrophobicContact CE1-CG1 4.24Å; F541-V1032 HydrophobicContact CE2-CB 3.92Å; F541-V1032 HydrophobicContact CE2-CG1 4.35Å; F541-V1032 HydrophobicContact CZ-CB 3.64Å; F541-V1032 HydrophobicContact CZ-CG1 3.59Å; F541-E1034 HydrophobicContact CE1-CB 3.93Å; F541-E1034 HydrophobicContact CE1-CG 4.42Å; F541-E1034 WeakPolarHBondContact CE1-OE2 3.34Å; F541-E1034 HydrophobicContact CE2-CG 4.34Å; F541-E1034 WeakPolarHBondContact CE2-OE1 3.41Å; F541-E1034 HydrophobicContact CZ-CB 3.8Å; F541-E1034 HydrophobicContact CZ-CG 3.97Å; F541-E1034 PolarHBondContact N-OE2 3.14Å
542	A	92	Very high	93	Very high	4 Å²	4	10.1 Å²	10.1	3%	0.033	5%	0.054	C	C	.	.			trans	-86.8	129.3	176.7	0	0	0	0	0	109.5	N546 K747 M748	A542-N546 VanDerWaalsContact CB-ND2 3.26Å; A542-N546 WeakPolarHBondContact CB-ND2 3.35Å; A542-N546 WeakPolarHBondContact CB-O 3.48Å; A542-K747 VanDerWaalsContact CB-O 3.31Å; A542-K747 WeakPolarHBondContact CB-O 3.26Å; A542-K747 PolarHBondContact N-O 3.45Å; A542-M748 HydrophobicContact CB-SD 4.23Å
543	Q	91.3	Very high	92.7	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.005	5%	0.053	C	C	.	.			trans	-144	128.6	167.2	53.6	179.9	-16.2	0	0	109.6	F541 T545 V963 V1032 E1034 I1040	F541-Q543 HydrophobicContact CD2-CG 4.34Å; F541-Q543 HydrophobicContact CE2-CG 4.09Å; Q543-T545 PolarHBondContact O-N 3.19Å; Q543-V963 HydrophobicContact CB-CG1 3.71Å; Q543-V1032 PolarHBondContact NE2-O 3.03Å; Q543-E1034 WeakPolarHBondContact CG-OE1 3.26Å; Q543-E1034 PolarHBondContact NE2-OE1 2.93Å; Q543-I1040 HydrophobicContact CG-CD1 4.01Å
544	V	89.1	Confident	92.5	Very high	3 Å²	3	10 Å²	10	2%	0.018	5%	0.052	C	C	.	.	S	Bend	trans	64.2	-57.5	178.4	-172.6	0	0	0	0	115.9	N546 V963 S1007 I1008 L1011 L1031 I1040 V1044	V544-N546 VanDerWaalsContact C-N 3.26Å; V544-N546 PolarHBondContact O-N 3Å; V544-V963 HydrophobicContact CG2-CG1 4.04Å; V544-V963 HydrophobicContact CG2-CG2 4.03Å; V544-S1007 CarbonylContact O-C 3.39Å; V544-S1007 VanDerWaalsContact O-CA 3.31Å; V544-S1007 WeakPolarHBondContact O-CA 3.46Å; V544-I1008 HydrophobicContact CG1-CB 4.22Å; V544-I1008 HydrophobicContact CG1-CD1 3.37Å; V544-I1008 HydrophobicContact CG1-CG1 4.38Å; V544-L1011 HydrophobicContact CB-CD2 4.46Å; V544-L1011 HydrophobicContact CG1-CB 4.19Å; V544-L1011 HydrophobicContact CG1-CD2 3.59Å; V544-L1011 HydrophobicContact CG2-CD2 3.97Å; V544-L1031 HydrophobicContact CG2-CD2 3.74Å; V544-I1040 HydrophobicContact CB-CG2 3.98Å; V544-I1040 HydrophobicContact CG2-CG2 4.05Å; V544-V1044 HydrophobicContact CG1-CG2 4.4Å; V544-V1044 HydrophobicContact CG2-CG2 4.17Å
545	T	82.4	Confident	92	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.066	C	C	.	.	S	Bend	trans	-69.4	-26.5	-172.6	55.7	0	0	0	0	113.2	R40 N42 T251 Q543 I1040	R40-T545 HydrophobicContact CB-CG2 3.86Å; R40-T545 WeakPolarHBondContact CD-OG1 2.96Å; R40-T545 HydrophobicContact CG-CG2 4.48Å; R40-T545 PolarHBondContact NH1-OG1 2.81Å; N42-T545 PolarHBondContact ND2-O 3.27Å; T251-T545 HydrophobicContact CG2-CG2 3.95Å; Q543-T545 PolarHBondContact O-N 3.19Å; T545-I1040 HydrophobicContact CG2-CG1 4.03Å
546	N	88.6	Confident	91.6	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.011	7%	0.072	C	C	.	.	S	Bend	trans	-151.9	162	170.2	69.2	-69.6	0	0	0	108.2	E271 P367 A542 V544 M748	E271-N546 HydrophobicContact CB-CB 4.37Å; P367-N546 HydrophobicContact CG-CB 3.87Å; A542-N546 VanDerWaalsContact CB-ND2 3.26Å; A542-N546 WeakPolarHBondContact CB-ND2 3.35Å; A542-N546 WeakPolarHBondContact CB-O 3.48Å; V544-N546 VanDerWaalsContact C-N 3.26Å; V544-N546 PolarHBondContact O-N 3Å; N546-M748 PolarHBondContact ND2-O 2.75Å
547	P	92.6	Very high	91.3	Very high	3 Å²	3	13.6 Å²	13.6	2%	0.019	8%	0.075	C	C	.	.	P	Polyproline II helix	trans	-93	153.1	178	35.8	-30.3	0	0	0	112.1	P367 L387 G749 P1001 Y1006	P367-P547 HydrophobicContact CG-CG 4.2Å; L387-P547 HydrophobicContact CD1-CG 3.99Å; L387-P547 HydrophobicContact CD2-CG 4.14Å; P547-G749 WeakPolarHBondContact O-CA 3.44Å; P547-P1001 HydrophobicContact CB-CB 3.83Å; P547-Y1006 HydrophobicContact CB-CD1 3.57Å; P547-Y1006 HydrophobicContact CB-CE1 4.04Å; P547-Y1006 HydrophobicContact CB-CG 4.49Å; P547-Y1006 HydrophobicContact CG-CD1 3.58Å; P547-Y1006 HydrophobicContact CG-CE1 4.16Å; P547-Y1006 HydrophobicContact CG-CG 4.09Å
548	P	94.4	Very high	91.2	Very high	13 Å²	13	13.6 Å²	13.6	8%	0.084	8%	0.075	C	C	.	.	P	Polyproline II helix	trans	-69.9	161.3	157.4	31.5	-35.3	0	0	0	111.4	S746 P1000 P1001	P548-S746 CarbonylContact C-O 3.59Å; P548-S746 WeakPolarHBondContact CA-O 3.27Å; P548-S746 WeakPolarHBondContact CB-O 3.26Å; P548-P1000 HydrophobicContact CB-CB 3.95Å; P548-P1000 HydrophobicContact CG-CB 3.77Å; P548-P1001 HydrophobicContact CG-CB 4.12Å; P548-P1001 WeakPolarHBondContact O-CB 3.4Å; P548-P1001 WeakPolarHBondContact O-CG 3.36Å
549	I	91.8	Very high	91.1	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	8%	0.077	C	C	.	.	P	Polyproline II helix	trans	-100.6	156.1	176.1	-73.3	168.9	0	0	0	109.8	N385 P551 E554 V557 M558 S746 G749 S751	N385-I549 VanDerWaalsContact ND2-CD1 3.28Å; N385-I549 WeakPolarHBondContact ND2-CD1 3.47Å; I549-P551 WeakPolarHBondContact O-CD 2.97Å; I549-E554 HydrophobicContact CG2-CB 4.2Å; I549-V557 HydrophobicContact CG2-CG2 4.42Å; I549-M558 HydrophobicContact CG2-CG 4.3Å; I549-M558 HydrophobicContact CG2-SD 4.15Å; I549-S746 PolarHBondContact N-O 3.37Å; I549-S746 VanDerWaalsContact O-CB 3.26Å; I549-S746 WeakPolarHBondContact O-CB 3.41Å; I549-S746 PolarHBondContact O-OG 2.69Å; I549-G749 VanDerWaalsContact CD1-C 3.47Å; I549-G749 WeakPolarHBondContact CD1-O 3.36Å; I549-S751 WeakPolarHBondContact CD1-OG 3.21Å
550	D	92.8	Very high	91.1	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.011	8%	0.077	C	C	.	.			trans	-85.4	110.8	169.4	-162.4	-74.9	0	0	0	113.1	L552 R553 E554 P1000 Y1400	D550-L552 PolarHBondContact O-N 3.24Å; D550-L552 WeakPolarHBondContact OD1-CA 3.37Å; D550-L552 WeakPolarHBondContact OD1-CB 3.35Å; D550-L552 PolarHBondContact OD1-N 3.31Å; D550-R553 HydrophobicContact CB-CB 4.31Å; D550-R553 PolarHBondContact OD1-N 2.91Å; D550-E554 HydrophobicContact CB-CB 4.39Å; D550-E554 HydrophobicContact CB-CG 4.08Å; D550-E554 PolarHBondContact N-OE2 2.89Å; D550-E554 CarbonylContact O-C 3.36Å; D550-E554 WeakPolarHBondContact O-CA 3.34Å; D550-E554 WeakPolarHBondContact O-CB 3.36Å; D550-E554 PolarHBondContact O-N 2.82Å; D550-P1000 WeakPolarHBondContact OD2-CD 3.25Å; D550-Y1400 VanDerWaalsContact CG-OH 3.25Å; D550-Y1400 PolarHBondContact OD2-OH 2.95Å
551	P	91.2	Very high	91	Very high	20 Å²	20	14.5 Å²	14.5	13%	0.13	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-2.9	-175.7	34.6	-37.1	0	0	0	113.9	I549 M558 K743 S746	I549-P551 WeakPolarHBondContact O-CD 2.97Å; P551-M558 HydrophobicContact CB-SD 4.05Å; P551-K743 HydrophobicContact CG-CB 4.31Å; P551-S746 WeakPolarHBondContact CD-OG 3.4Å
552	L	87.6	Confident	91	Very high	78 Å²	78	14.6 Å²	14.6	41%	0.408	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-51.7	179.1	-55	177.1	0	0	0	110.7	D550 I997	D550-L552 PolarHBondContact O-N 3.24Å; D550-L552 WeakPolarHBondContact OD1-CA 3.37Å; D550-L552 WeakPolarHBondContact OD1-CB 3.35Å; D550-L552 PolarHBondContact OD1-N 3.31Å; L552-I997 HydrophobicContact CD1-CD1 3.97Å
553	R	90.3	Very high	90.9	Very high	26 Å²	26	15.9 Å²	15.9	10%	0.098	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-35.5	-174	-52	-45.8	-178.9	-169.2	-2.9	112.5	D550 Y1400 N1415 A1418 E1441	D550-R553 HydrophobicContact CB-CB 4.31Å; D550-R553 PolarHBondContact OD1-N 2.91Å; R553-Y1400 HydrophobicContact CB-CE2 4.18Å; R553-Y1400 HydrophobicContact CG-CE1 4.27Å; R553-Y1400 HydrophobicContact CG-CE2 3.64Å; R553-Y1400 VanDerWaalsContact CG-CZ 3.45Å; R553-Y1400 WeakPolarHBondContact CG-OH 3.06Å; R553-N1415 PolarHBondContact O-ND2 3.16Å; R553-N1415 PolarHBondContact O-OD1 2.88Å; R553-A1418 HydrophobicContact CB-CB 4.09Å; R553-E1441 IonicContact CZ-OE1 3.9Å; R553-E1441 IonicContact CZ-OE2 3.5Å; R553-E1441 IonicContact NH1-OE1 3.42Å; R553-E1441 PolarHBondContact NH1-OE1 3.1Å; R553-E1441 IonicContact NH1-OE2 3.23Å; R553-E1441 PolarHBondContact NH1-OE2 3.25Å
554	E	90.4	Very high	90.9	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.019	10%	0.098	C	C	.	.	S	Bend	trans	-97.6	14.4	178.1	-57	175.8	158.2	0	0	111.5	I549 D550 H556 V557 R1378	I549-E554 HydrophobicContact CG2-CB 4.2Å; D550-E554 HydrophobicContact CB-CB 4.39Å; D550-E554 HydrophobicContact CB-CG 4.08Å; D550-E554 PolarHBondContact N-OE2 2.89Å; D550-E554 CarbonylContact O-C 3.36Å; D550-E554 WeakPolarHBondContact O-CA 3.34Å; D550-E554 WeakPolarHBondContact O-CB 3.36Å; D550-E554 PolarHBondContact O-N 2.82Å; E554-H556 PolarHBondContact O-N 3.26Å; E554-V557 HydrophobicContact CB-CG2 4.26Å; E554-V557 WeakPolarHBondContact O-CG2 3.32Å; E554-V557 PolarHBondContact O-N 3.24Å; E554-R1378 IonicContact OE1-CZ 3.86Å; E554-R1378 IonicContact OE1-NE 3.91Å; E554-R1378 PolarHBondContact OE1-NE 2.92Å; E554-R1378 IonicContact OE1-NH2 2.74Å; E554-R1378 PolarHBondContact OE1-NH2 2.92Å; E554-R1378 IonicContact OE2-NH2 3.69Å
555	A	87	Confident	90.9	Very high	38 Å²	38	15.8 Å²	15.8	31%	0.314	10%	0.099	S	C	.	.	G	3₁₀ helix	trans	-53.3	-21.5	-177.8	0	0	0	0	0	115	V557 M558	A555-V557 VanDerWaalsContact C-N 3.29Å; A555-V557 PolarHBondContact O-N 3.46Å; A555-M558 PolarHBondContact O-N 3.07Å
556	H	87.6	Confident	91.3	Very high	43 Å²	43	19.8 Å²	19.8	20%	0.199	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-64.1	-27.3	174.4	74.7	-82.1	0	0	0	113.7	E554 N1415	E554-H556 PolarHBondContact O-N 3.26Å; H556-N1415 WeakPolarHBondContact CE1-CB 3.38Å; H556-N1415 VanDerWaalsContact CE1-CG 3.45Å; H556-N1415 PolarHBondContact CE1-ND2 2.96Å; H556-N1415 VanDerWaalsContact ND1-CG 3.35Å; H556-N1415 PolarHBondContact ND1-ND2 2.92Å
557	V	91	Very high	91.4	Very high	10 Å²	10	20.4 Å²	20.4	6%	0.061	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-83.3	-15.7	174.3	-58.5	0	0	0	0	113.4	A339 R384 N385 I549 E554 A555	A339-V557 HydrophobicContact CB-CB 4.18Å; A339-V557 HydrophobicContact CB-CG1 3.99Å; R384-V557 PolarHBondContact NH1-O 3.43Å; N385-V557 VanDerWaalsContact OD1-CB 3.24Å; N385-V557 WeakPolarHBondContact OD1-CB 3.49Å; N385-V557 WeakPolarHBondContact OD1-CG1 3.45Å; N385-V557 VanDerWaalsContact OD1-CG2 3.26Å; N385-V557 WeakPolarHBondContact OD1-CG2 3.32Å; I549-V557 HydrophobicContact CG2-CG2 4.42Å; E554-V557 HydrophobicContact CB-CG2 4.26Å; E554-V557 WeakPolarHBondContact O-CG2 3.32Å; E554-V557 PolarHBondContact O-N 3.24Å; A555-V557 VanDerWaalsContact C-N 3.29Å; A555-V557 PolarHBondContact O-N 3.46Å
558	M	93.3	Very high	91.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.133	C	C	.	.			trans	-91.9	153.1	-172.9	-56.1	-161	84.7	0	0	113	N342 I549 P551 A555 Y742 M745 I750 S751	N342-M558 PolarHBondContact ND2-O 2.9Å; I549-M558 HydrophobicContact CG2-CG 4.3Å; I549-M558 HydrophobicContact CG2-SD 4.15Å; P551-M558 HydrophobicContact CB-SD 4.05Å; A555-M558 PolarHBondContact O-N 3.07Å; M558-Y742 HydrophobicContact CB-CD1 3.66Å; M558-Y742 HydrophobicContact CB-CE1 3.59Å; M558-Y742 HydrophobicContact CE-CD1 4.1Å; M558-Y742 HydrophobicContact CG-CD1 4.42Å; M558-Y742 HydrophobicContact SD-CD1 3.87Å; M558-Y742 HydrophobicContact SD-CG 4.44Å; M558-M745 HydrophobicContact CE-CB 4.27Å; M558-M745 HydrophobicContact CE-CE 4.31Å; M558-I750 WeakPolarHBondContact CE-O 3.49Å; M558-S751 CarbonylContact C-O 3.56Å; M558-S751 WeakPolarHBondContact CA-O 3.44Å
559	S	94.6	Very high	91	Very high	8 Å²	8	25 Å²	25	6%	0.056	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-151.6	131.4	173.3	-162.5	0	0	0	0	114.9	A561 S751 I753	S559-A561 VanDerWaalsContact OG-CB 3.29Å; S559-A561 WeakPolarHBondContact OG-CB 3.13Å; S559-A561 PolarHBondContact OG-N 2.96Å; S559-S751 PolarHBondContact N-O 3.04Å; S559-I753 PolarHBondContact O-N 3.31Å
560	L	96	Very high	91	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	14%	0.14	C	C	.	.			trans	-95.4	7.2	164.7	-64.6	179.1	0	0	0	113.3	T562 K584 P586 N738 L741 Y742 M745 I753	L560-T562 PolarHBondContact O-N 3.48Å; L560-T562 PolarHBondContact O-OG1 3.07Å; L560-K584 CarbonylContact C-O 3.54Å; L560-P586 WeakPolarHBondContact O-CD 3.4Å; L560-N738 HydrophobicContact CD1-CB 3.66Å; L560-N738 WeakPolarHBondContact CD1-OD1 3.42Å; L560-L741 HydrophobicContact CD1-CB 4.22Å; L560-L741 HydrophobicContact CD1-CD1 4.42Å; L560-L741 HydrophobicContact CD2-CB 4.04Å; L560-L741 HydrophobicContact CD2-CD1 4.41Å; L560-Y742 HydrophobicContact CB-CE1 4.48Å; L560-Y742 HydrophobicContact CD1-CD2 4.01Å; L560-Y742 HydrophobicContact CD1-CE1 4.3Å; L560-Y742 HydrophobicContact CD1-CE2 3.71Å; L560-Y742 HydrophobicContact CD1-CG 4.42Å; L560-Y742 HydrophobicContact CD2-CD1 4.44Å; L560-Y742 HydrophobicContact CD2-CE1 4.33Å; L560-Y742 HydrophobicContact CG-CD1 4.11Å; L560-Y742 HydrophobicContact CG-CD2 4.38Å; L560-Y742 HydrophobicContact CG-CE1 3.64Å; L560-Y742 HydrophobicContact CG-CE2 3.94Å; L560-Y742 HydrophobicContact CG-CG 4.45Å; L560-Y742 PolarHBondContact N-OH 2.89Å; L560-M745 HydrophobicContact CD2-SD 3.67Å; L560-I753 HydrophobicContact CD2-CB 3.96Å; L560-I753 HydrophobicContact CD2-CD1 4.1Å; L560-I753 HydrophobicContact CD2-CG1 4.22Å
561	A	93.1	Very high	91	Very high	48 Å²	48	26.9 Å²	26.9	40%	0.397	15%	0.147	S	C	.	.			trans	-56.5	131.7	177.6	0	0	0	0	0	110.6	S559 F583 I753	S559-A561 VanDerWaalsContact OG-CB 3.29Å; S559-A561 WeakPolarHBondContact OG-CB 3.13Å; S559-A561 PolarHBondContact OG-N 2.96Å; A561-F583 WeakPolarHBondContact CA-O 3.25Å; A561-I753 WeakPolarHBondContact O-CG2 3.17Å
562	T	93.4	Very high	90.8	Very high	2 Å²	2	29 Å²	29	1%	0.012	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	131.5	-178.8	-69.7	0	0	0	0	109.7	L560 S582 F583 T702 R757	L560-T562 PolarHBondContact O-N 3.48Å; L560-T562 PolarHBondContact O-OG1 3.07Å; T562-S582 WeakPolarHBondContact O-CA 3.36Å; T562-F583 HydrophobicContact CG2-CE1 3.87Å; T562-F583 HydrophobicContact CG2-CE2 4.2Å; T562-F583 HydrophobicContact CG2-CZ 3.49Å; T562-F583 VanDerWaalsContact CG2-CZ 3.49Å; T562-F583 PolarHBondContact N-O 3.04Å; T562-F583 WeakPolarHBondContact O-CD1 3.49Å; T562-F583 WeakPolarHBondContact O-CE1 3.44Å; T562-F583 PolarHBondContact O-N 3.47Å; T562-T702 HydrophobicContact CG2-CG2 3.77Å; T562-R757 PolarHBondContact OG1-NH2 3.13Å; T562-R757 VanDerWaalsContact OG1-NH2 3.12Å
563	S	90.7	Very high	90.9	Very high	30 Å²	30	26.9 Å²	26.9	21%	0.21	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	141.6	172.7	-66.2	0	0	0	0	109.6	L581 S582	S563-L581 CarbonylContact C-O 3.59Å; S563-L581 WeakPolarHBondContact CA-O 3.2Å; S563-S582 PolarHBondContact OG-OG 3.41Å
564	I	90.3	Very high	90.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	138.6	-177.9	-82.5	179.9	0	0	0	108.5	R580 L581 F583 L596 L641 N679 I681 T702	I564-R580 CarbonylContact O-C 3.53Å; I564-R580 VanDerWaalsContact O-CA 3.29Å; I564-R580 WeakPolarHBondContact O-CA 3.13Å; I564-R580 WeakPolarHBondContact O-CB 3.38Å; I564-L581 HydrophobicContact CB-CB 4.48Å; I564-L581 PolarHBondContact N-O 3.34Å; I564-L581 PolarHBondContact O-N 3.23Å; I564-F583 HydrophobicContact CB-CE1 4.42Å; I564-F583 HydrophobicContact CD1-CE1 3.5Å; I564-F583 HydrophobicContact CD1-CZ 3.67Å; I564-F583 HydrophobicContact CG1-CE1 3.84Å; I564-F583 HydrophobicContact CG1-CZ 4.25Å; I564-L596 HydrophobicContact CD1-CD2 4.06Å; I564-L641 HydrophobicContact CG2-CD2 3.23Å; I564-N679 WeakPolarHBondContact CA-OD1 3.13Å; I564-N679 HydrophobicContact CG1-CB 4.45Å; I564-N679 WeakPolarHBondContact CG2-OD1 3.24Å; I564-I681 HydrophobicContact CD1-CD1 3.68Å; I564-T702 HydrophobicContact CD1-CG2 4.25Å; I564-T702 HydrophobicContact CG1-CG2 3.78Å
565	G	89.5	Confident	90.7	Very high	3 Å²	3	30.2 Å²	30.2	3%	0.031	17%	0.173	C	C	.	.	S	Bend	trans	152.3	178.2	-174.7	0	0	0	0	0	112	N679	G565-N679 PolarHBondContact N-OD1 3.07Å; G565-N679 PolarHBondContact O-OD1 3.18Å
566	R	91	Very high	90.4	Very high	84 Å²	84	30.5 Å²	30.5	32%	0.317	18%	0.18	S	C	.	.			trans	-84.6	132.3	172	-62.6	-169.6	179.6	141.4	7.5	110.2	M359 G638 V640	M359-R566 VanDerWaalsContact CE-O 3.31Å; M359-R566 WeakPolarHBondContact CE-O 3.24Å; R566-G638 PolarHBondContact NH2-O 3.38Å; R566-V640 HydrophobicContact CG-CG1 4.14Å; R566-V640 HydrophobicContact CG-CG2 4.3Å; R566-V640 VanDerWaalsContact NH2-CG2 3.35Å
567	E	90.5	Very high	90.2	Very high	14 Å²	14	29 Å²	29	7%	0.065	17%	0.173	C	C	.	.			trans	-74.2	149.1	173	-60.1	-177.1	-121.3	0	0	111.3	W281 R285 K288 M359 C676	W281-E567 VanDerWaalsContact CZ3-OE1 3.26Å; W281-E567 WeakPolarHBondContact CZ3-OE1 3.44Å; R285-E567 IonicContact CZ-OE2 3.7Å; R285-E567 IonicContact NE-OE2 3.57Å; R285-E567 PolarHBondContact NE-OE2 2.74Å; R285-E567 IonicContact NH2-OE2 3.74Å; R285-E567 PolarHBondContact NH2-OE2 2.82Å; R285-E567 VanDerWaalsContact NH2-OE2 3.14Å; K288-E567 WeakPolarHBondContact CE-O 3.34Å; K288-E567 PolarHBondContact NZ-O 3.41Å; M359-E567 WeakPolarHBondContact O-CG 3.38Å; E567-C676 HydrophobicContact CB-CB 4.04Å; E567-C676 HydrophobicContact CG-CB 4.4Å; E567-C676 PolarHBondContact N-O 3.22Å; E567-C676 PolarHBondContact OE1-SG 3.46Å; E567-C676 VanDerWaalsContact OE1-SG 3.34Å
568	M	89.2	Confident	89.9	Confident	76 Å²	76	28.6 Å²	28.6	37%	0.374	17%	0.17	S	C	.	.			trans	-124.1	168.1	-175.1	-63.3	-66.7	-103.6	0	0	110.5	H360 V570 Q577	H360-M568 PolarHBondContact CE1-N 3.05Å; H360-M568 PolarHBondContact ND1-N 3.02Å; M568-V570 PolarHBondContact O-N 3.33Å; M568-Q577 HydrophobicContact CB-CB 4.11Å; M568-Q577 HydrophobicContact CB-CG 3.75Å; M568-Q577 HydrophobicContact CE-CG 4.34Å; M568-Q577 HydrophobicContact CG-CB 4.15Å; M568-Q577 HydrophobicContact CG-CG 3.99Å
569	N	90.7	Very high	89.6	Confident	36 Å²	36	31.3 Å²	31.3	19%	0.193	18%	0.182	C	C	.	.			trans	-68.3	115.8	-178.8	177	13.5	0	0	0	112	K288 Q290 F571 C572 Q577	K288-N569 VanDerWaalsContact O-CB 3.26Å; K288-N569 WeakPolarHBondContact O-CB 3.5Å; K288-N569 PolarHBondContact O-OD1 2.87Å; Q290-N569 PolarHBondContact O-ND2 3.26Å; Q290-N569 PolarHBondContact O-OD1 3.17Å; N569-F571 PolarHBondContact O-N 3.18Å; N569-F571 VanDerWaalsContact O-N 3.16Å; N569-F571 WeakPolarHBondContact OD1-CD2 3.4Å; N569-F571 PolarHBondContact OD1-N 3.04Å; N569-F571 VanDerWaalsContact OD1-N 3.15Å; N569-C572 PolarHBondContact O-N 3.43Å; N569-C572 VanDerWaalsContact O-N 3.13Å; N569-Q577 PolarHBondContact O-NE2 3.02Å
570	V	90.8	Very high	89.4	Confident	7 Å²	7	30.9 Å²	30.9	4%	0.042	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.9	-178.7	-63.5	0	0	0	0	114.8	F289 L321 M326 R330 H360 M568 C572	F289-V570 HydrophobicContact CD1-CG2 3.87Å; F289-V570 HydrophobicContact CE1-CG2 3.77Å; L321-V570 HydrophobicContact CD2-CG2 4.17Å; M326-V570 HydrophobicContact CE-CB 3.87Å; M326-V570 HydrophobicContact CE-CG2 3.82Å; M326-V570 WeakPolarHBondContact CE-O 3.49Å; R330-V570 PolarHBondContact NH2-O 2.96Å; H360-V570 HydrophobicContact CB-CG1 3.79Å; M568-V570 PolarHBondContact O-N 3.33Å; V570-C572 VanDerWaalsContact C-N 3.26Å; V570-C572 PolarHBondContact O-N 3.48Å
571	F	92	Very high	89.1	Confident	36 Å²	36	30.9 Å²	30.9	16%	0.158	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-12	179.1	-64.6	-62.4	0	0	0	114	F289 Q290 L297 L320 L321 G324 M326 N569	F289-F571 HydrophobicContact CB-CE2 4.17Å; F289-F571 HydrophobicContact CD1-CE2 4.15Å; Q290-F571 WeakPolarHBondContact O-CD2 3.29Å; L297-F571 HydrophobicContact CD2-CE2 4.44Å; L320-F571 HydrophobicContact CG-CZ 4.35Å; L321-F571 HydrophobicContact CD2-CE1 4.22Å; L321-F571 HydrophobicContact CD2-CZ 4.27Å; G324-F571 VanDerWaalsContact CA-CE1 3.49Å; M326-F571 HydrophobicContact CE-CD1 3.85Å; M326-F571 HydrophobicContact CE-CE1 4.11Å; M326-F571 HydrophobicContact CG-CD1 4.23Å; M326-F571 HydrophobicContact CG-CE1 4.32Å; N569-F571 PolarHBondContact O-N 3.18Å; N569-F571 VanDerWaalsContact O-N 3.16Å; N569-F571 WeakPolarHBondContact OD1-CD2 3.4Å; N569-F571 PolarHBondContact OD1-N 3.04Å; N569-F571 VanDerWaalsContact OD1-N 3.15Å
572	C	88.3	Confident	89	Confident	64 Å²	64	29.5 Å²	29.5	43%	0.432	17%	0.167	S	C	.	.			trans	-109.7	143.3	173.3	-173.5	0	0	0	0	109.1	N569 V570 Q577	N569-C572 PolarHBondContact O-N 3.43Å; N569-C572 VanDerWaalsContact O-N 3.13Å; V570-C572 VanDerWaalsContact C-N 3.26Å; V570-C572 PolarHBondContact O-N 3.48Å; C572-Q577 PolarHBondContact O-NE2 2.95Å; C572-Q577 PolarHBondContact O-OE1 2.83Å
573	E	88.8	Confident	88.9	Confident	34 Å²	34	30.4 Å²	30.4	16%	0.159	17%	0.171	C	C	.	.			trans	-126.4	104.7	175.8	-64.1	-176.9	90.1	0	0	108.4	R330 Y453 Q577	R330-E573 IonicContact CZ-OE1 3.82Å; R330-E573 IonicContact CZ-OE2 3.23Å; R330-E573 IonicContact NE-OE1 2.91Å; R330-E573 PolarHBondContact NE-OE1 3.46Å; R330-E573 IonicContact NE-OE2 2.67Å; R330-E573 PolarHBondContact NE-OE2 3.15Å; R330-E573 IonicContact NH1-OE1 3.6Å; R330-E573 IonicContact NH1-OE2 3.84Å; R330-E573 PolarHBondContact NH1-OE2 3.31Å; R330-E573 IonicContact NH2-OE1 3.45Å; R330-E573 IonicContact NH2-OE2 3.6Å; Y453-E573 PolarHBondContact OH-OE1 3.25Å; E573-Q577 VanDerWaalsContact CA-OE1 3.31Å
574	A	89.6	Confident	88.9	Confident	37 Å²	37	36.6 Å²	36.6	31%	0.306	19%	0.194	S	C	.	.			trans	-150.5	151.4	-175.3	0	0	0	0	0	112.3	G576 Q577	A574-G576 VanDerWaalsContact C-N 3.26Å; A574-G576 PolarHBondContact O-N 2.84Å; A574-G576 VanDerWaalsContact O-N 3.13Å; A574-Q577 WeakPolarHBondContact O-CB 3.3Å; A574-Q577 PolarHBondContact O-N 3.36Å; A574-Q577 PolarHBondContact O-OE1 3.23Å
575	E	86.9	Confident	89.1	Confident	64 Å²	64	37 Å²	37	30%	0.299	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-48.6	-43.4	-178.7	-173.3	-175.7	175	0	0	113.6	W456 K459 N460 Q577 A578	W456-E575 HydrophobicContact CB-CG 4.41Å; W456-E575 HydrophobicContact CD2-CB 4.07Å; W456-E575 HydrophobicContact CG-CB 4.06Å; W456-E575 HydrophobicContact CG-CG 3.97Å; W456-E575 HydrophobicContact CZ2-CB 4.47Å; K459-E575 VanDerWaalsContact CD-OE1 3.26Å; K459-E575 WeakPolarHBondContact CD-OE1 3.41Å; K459-E575 WeakPolarHBondContact CE-OE1 3.31Å; K459-E575 IonicContact NZ-OE1 3.86Å; K459-E575 PolarHBondContact NZ-OE1 3.3Å; K459-E575 IonicContact NZ-OE2 2.75Å; N460-E575 PolarHBondContact ND2-OE1 3.18Å; E575-Q577 PolarHBondContact O-N 2.95Å; E575-A578 VanDerWaalsContact O-CB 3.24Å; E575-A578 WeakPolarHBondContact O-CB 3.34Å; E575-A578 PolarHBondContact O-N 3.09Å
576	G	82.1	Confident	89.5	Confident	44 Å²	44	36.9 Å²	36.9	45%	0.454	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-64.2	-3.7	-179	0	0	0	0	0	115.6	A574 H579	A574-G576 VanDerWaalsContact C-N 3.26Å; A574-G576 PolarHBondContact O-N 2.84Å; A574-G576 VanDerWaalsContact O-N 3.13Å; G576-H579 PolarHBondContact O-CD2 3.12Å
577	Q	82.3	Confident	89.8	Confident	12 Å²	12	32.9 Å²	32.9	6%	0.056	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-94	-7.8	171.9	-55.2	171.1	-51.3	0	0	112.7	F356 M568 N569 C572 E573 A574 E575 R580	F356-Q577 HydrophobicContact CE2-CB 4.08Å; F356-Q577 HydrophobicContact CZ-CB 3.96Å; M568-Q577 HydrophobicContact CB-CB 4.11Å; M568-Q577 HydrophobicContact CB-CG 3.75Å; M568-Q577 HydrophobicContact CE-CG 4.34Å; M568-Q577 HydrophobicContact CG-CB 4.15Å; M568-Q577 HydrophobicContact CG-CG 3.99Å; N569-Q577 PolarHBondContact O-NE2 3.02Å; C572-Q577 PolarHBondContact O-NE2 2.95Å; C572-Q577 PolarHBondContact O-OE1 2.83Å; E573-Q577 VanDerWaalsContact CA-OE1 3.31Å; A574-Q577 WeakPolarHBondContact O-CB 3.3Å; A574-Q577 PolarHBondContact O-N 3.36Å; A574-Q577 PolarHBondContact O-OE1 3.23Å; E575-Q577 PolarHBondContact O-N 2.95Å; Q577-R580 PolarHBondContact O-NH2 3.31Å
578	A	84.8	Confident	90.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.177	C	C	.	.			trans	-76.6	-20.4	-179.1	0	0	0	0	0	113.5	F356 W456 M457 N460 E575 R580	F356-A578 HydrophobicContact CD2-CB 4.3Å; F356-A578 HydrophobicContact CE2-CB 4.27Å; W456-A578 HydrophobicContact CB-CB 4.06Å; M457-A578 HydrophobicContact SD-CB 4.17Å; N460-A578 HydrophobicContact CB-CB 3.78Å; E575-A578 VanDerWaalsContact O-CB 3.24Å; E575-A578 WeakPolarHBondContact O-CB 3.34Å; E575-A578 PolarHBondContact O-N 3.09Å; A578-R580 PolarHBondContact O-N 3.49Å; A578-R580 PolarHBondContact O-NE 2.85Å
579	H	88.1	Confident	90.3	Very high	57 Å²	57	28.7 Å²	28.7	26%	0.264	16%	0.16	S	C	.	.			trans	-55.7	107.7	179.8	-63.7	-60.5	0	0	0	112.4	N460 G576	N460-H579 PolarHBondContact OD1-CE1 3.5Å; G576-H579 PolarHBondContact O-CD2 3.12Å
580	R	89.4	Confident	90.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	162.8	175	68.5	-159.1	66.8	-165.3	-8.9	110.9	D355 F356 M359 H360 V461 R462 I564 Q577 A578 Y604	D355-R580 PolarHBondContact O-NH1 3.1Å; F356-R580 PolarHBondContact O-NH1 3.13Å; F356-R580 PolarHBondContact O-NH2 3.47Å; M359-R580 HydrophobicContact CE-CB 4.07Å; M359-R580 HydrophobicContact SD-CB 3.5Å; M359-R580 WeakPolarHBondContact SD-CB 3.35Å; M359-R580 HydrophobicContact SD-CG 4.5Å; H360-R580 PolarHBondContact NE2-NH2 3.22Å; V461-R580 WeakPolarHBondContact CA-O 3.07Å; V461-R580 HydrophobicContact CB-CG 4.39Å; V461-R580 HydrophobicContact CG1-CG 4.04Å; V461-R580 HydrophobicContact CG2-CG 3.81Å; R462-R580 PolarHBondContact N-O 3.36Å; I564-R580 CarbonylContact O-C 3.53Å; I564-R580 VanDerWaalsContact O-CA 3.29Å; I564-R580 WeakPolarHBondContact O-CA 3.13Å; I564-R580 WeakPolarHBondContact O-CB 3.38Å; Q577-R580 PolarHBondContact O-NH2 3.31Å; A578-R580 PolarHBondContact O-N 3.49Å; A578-R580 PolarHBondContact O-NE 2.85Å; R580-Y604 WeakPolarHBondContact CA-OH 3.44Å; R580-Y604 PolarHBondContact N-OH 2.91Å; R580-Y604 PolarHBondContact O-OH 2.78Å
581	L	90.2	Very high	90.3	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.2	170.8	-171.7	164	0	0	0	108.9	R462 L464 S563 I564 F583 L596 M599 Y604	R462-L581 HydrophobicContact CB-CB 4.35Å; R462-L581 HydrophobicContact CB-CG 4.18Å; R462-L581 WeakPolarHBondContact O-CA 3.26Å; L464-L581 HydrophobicContact CD1-CD2 4.45Å; L464-L581 HydrophobicContact CD2-CD1 4.19Å; L464-L581 HydrophobicContact CD2-CD2 3.9Å; L464-L581 HydrophobicContact CD2-CG 4.45Å; L464-L581 HydrophobicContact CG-CD2 3.93Å; S563-L581 CarbonylContact C-O 3.59Å; S563-L581 WeakPolarHBondContact CA-O 3.2Å; I564-L581 HydrophobicContact CB-CB 4.48Å; I564-L581 PolarHBondContact N-O 3.34Å; I564-L581 PolarHBondContact O-N 3.23Å; L581-F583 HydrophobicContact CD2-CD1 3.67Å; L581-F583 HydrophobicContact CD2-CE1 4.18Å; L581-L596 HydrophobicContact CD1-CD2 3.72Å; L581-L596 HydrophobicContact CD2-CD2 3.6Å; L581-L596 HydrophobicContact CG-CD2 4.29Å; L581-M599 HydrophobicContact CD1-CE 3.71Å; L581-M599 HydrophobicContact CD1-SD 3.57Å; L581-M599 VanDerWaalsContact CD1-SD 3.57Å; L581-Y604 HydrophobicContact CB-CD1 4.42Å; L581-Y604 HydrophobicContact CB-CE1 4.06Å
582	S	89.8	Confident	90.3	Very high	19 Å²	19	29.8 Å²	29.8	13%	0.133	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139.7	-174	-59.8	0	0	0	0	112.7	R462 T562 S563	R462-S582 PolarHBondContact O-N 2.84Å; T562-S582 WeakPolarHBondContact O-CA 3.36Å; S563-S582 PolarHBondContact OG-OG 3.41Å
583	F	91.7	Very high	90.6	Very high	22 Å²	22	27.9 Å²	27.9	10%	0.096	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	159.2	-176.2	55.3	-73.6	0	0	0	111.7	L464 A561 T562 I564 L581 S585 L588 A703	L464-F583 HydrophobicContact CD1-CB 3.87Å; L464-F583 HydrophobicContact CD1-CD1 4.41Å; L464-F583 HydrophobicContact CD1-CD2 4.42Å; L464-F583 HydrophobicContact CD1-CG 4Å; L464-F583 HydrophobicContact CG-CB 4.22Å; A561-F583 WeakPolarHBondContact CA-O 3.25Å; T562-F583 HydrophobicContact CG2-CE1 3.87Å; T562-F583 HydrophobicContact CG2-CE2 4.2Å; T562-F583 HydrophobicContact CG2-CZ 3.49Å; T562-F583 VanDerWaalsContact CG2-CZ 3.49Å; T562-F583 PolarHBondContact N-O 3.04Å; T562-F583 WeakPolarHBondContact O-CD1 3.49Å; T562-F583 WeakPolarHBondContact O-CE1 3.44Å; T562-F583 PolarHBondContact O-N 3.47Å; I564-F583 HydrophobicContact CB-CE1 4.42Å; I564-F583 HydrophobicContact CD1-CE1 3.5Å; I564-F583 HydrophobicContact CD1-CZ 3.67Å; I564-F583 HydrophobicContact CG1-CE1 3.84Å; I564-F583 HydrophobicContact CG1-CZ 4.25Å; L581-F583 HydrophobicContact CD2-CD1 3.67Å; L581-F583 HydrophobicContact CD2-CE1 4.18Å; F583-S585 WeakPolarHBondContact CD2-O 3.4Å; F583-S585 WeakPolarHBondContact CE2-O 3.39Å; F583-S585 PolarHBondContact O-N 3.16Å; F583-L588 HydrophobicContact CD2-CD2 4.16Å; F583-L588 HydrophobicContact CE2-CD2 3.67Å; F583-L588 HydrophobicContact CZ-CD2 4.38Å; F583-A703 HydrophobicContact CE2-CB 4.05Å; F583-A703 HydrophobicContact CZ-CB 3.92Å
584	K	90.7	Very high	90.7	Very high	159 Å²	159	31.5 Å²	31.5	69%	0.691	16%	0.162	S	C	*	.	S	Bend	trans	-77	-18.5	-162.7	-63.5	179.1	-175	168	0	116	E468 L560	E468-K584 IonicContact OE1-NZ 3.62Å; L560-K584 CarbonylContact C-O 3.54Å
585	S	95.4	Very high	90.8	Very high	9 Å²	9	31.6 Å²	31.6	6%	0.063	16%	0.156	C	C	.	.			trans	-151.5	142.8	-174.5	165	0	0	0	0	110.8	F583 I587 N738	F583-S585 WeakPolarHBondContact CD2-O 3.4Å; F583-S585 WeakPolarHBondContact CE2-O 3.39Å; F583-S585 PolarHBondContact O-N 3.16Å; S585-I587 PolarHBondContact O-N 3.25Å; S585-I587 PolarHBondContact OG-N 2.81Å; S585-N738 WeakPolarHBondContact CB-OD1 3.41Å; S585-N738 PolarHBondContact OG-OD1 2.97Å
586	P	97	Very high	91	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-70.6	-5.7	173.3	34	-38.7	0	0	0	113.2	L560 L697 A703 I704 L741 I753	L560-P586 WeakPolarHBondContact O-CD 3.4Å; P586-L697 HydrophobicContact CB-CD1 4.27Å; P586-L697 HydrophobicContact CB-CD2 3.88Å; P586-L697 HydrophobicContact CG-CD1 3.86Å; P586-L697 HydrophobicContact CG-CD2 4.37Å; P586-A703 CarbonylContact O-C 3.55Å; P586-A703 VanDerWaalsContact O-CA 3.25Å; P586-A703 WeakPolarHBondContact O-CA 3.48Å; P586-A703 WeakPolarHBondContact O-CB 3.4Å; P586-I704 PolarHBondContact O-N 3.28Å; P586-L741 HydrophobicContact CG-CD1 4.06Å; P586-I753 HydrophobicContact CG-CG1 4.37Å
587	I	97.7	Very high	91.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-94.4	104.2	-179.5	-50.4	-52.3	0	0	0	108.8	S585 F693 R734 I737 L741	S585-I587 PolarHBondContact O-N 3.25Å; S585-I587 PolarHBondContact OG-N 2.81Å; I587-F693 HydrophobicContact CD1-CB 3.97Å; I587-F693 HydrophobicContact CD1-CD1 3.36Å; I587-F693 HydrophobicContact CD1-CD2 4.47Å; I587-F693 HydrophobicContact CD1-CE1 3.94Å; I587-F693 HydrophobicContact CD1-CG 3.68Å; I587-R734 HydrophobicContact CB-CG 4.23Å; I587-R734 HydrophobicContact CG2-CG 4.22Å; I587-R734 WeakPolarHBondContact O-CD 3.41Å; I587-I737 HydrophobicContact CD1-CG2 3.89Å; I587-I737 HydrophobicContact CG1-CB 4.42Å; I587-I737 HydrophobicContact CG1-CG2 3.71Å; I587-L741 HydrophobicContact CD1-CD1 3.98Å; I587-L741 HydrophobicContact CG1-CD1 4.03Å
588	L	96.1	Very high	91.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.157	C	C	.	.			trans	-79.9	140.7	-175.3	-55	178.2	0	0	0	110.5	F583 D592 F593 L596 I681 A703 I704 Y705 Y710	F583-L588 HydrophobicContact CD2-CD2 4.16Å; F583-L588 HydrophobicContact CE2-CD2 3.67Å; F583-L588 HydrophobicContact CZ-CD2 4.38Å; L588-D592 HydrophobicContact CB-CB 4.11Å; L588-D592 HydrophobicContact CD2-CB 3.97Å; L588-F593 HydrophobicContact CB-CB 4.39Å; L588-F593 HydrophobicContact CD1-CB 4.34Å; L588-F593 HydrophobicContact CD1-CD2 4.1Å; L588-L596 HydrophobicContact CD1-CD1 3.71Å; L588-L596 HydrophobicContact CD2-CD1 3.57Å; L588-L596 HydrophobicContact CG-CD1 4.3Å; L588-I681 HydrophobicContact CD1-CG2 3.96Å; L588-A703 HydrophobicContact CD1-CB 3.96Å; L588-A703 HydrophobicContact CD2-CB 3.97Å; L588-A703 HydrophobicContact CG-CB 3.94Å; L588-I704 PolarHBondContact N-O 3.31Å; L588-Y705 HydrophobicContact CB-CD2 4.44Å; L588-Y710 VanDerWaalsContact O-CE2 3.28Å; L588-Y710 WeakPolarHBondContact O-CE2 3.38Å; L588-Y710 PolarHBondContact O-OH 3.37Å
589	L	93.7	Very high	91.6	Very high	3 Å²	3	34 Å²	34	2%	0.016	17%	0.166	C	C	.	.			trans	-87.5	171.1	158.3	-69.1	161.9	0	0	0	110.1	F467 S591 D592 F593 Y710 M730 L731	F467-L589 HydrophobicContact CB-CD1 3.5Å; F467-L589 HydrophobicContact CD1-CD1 3.55Å; F467-L589 HydrophobicContact CD2-CB 4.31Å; F467-L589 HydrophobicContact CD2-CD1 4.07Å; F467-L589 HydrophobicContact CE1-CD1 4.14Å; F467-L589 HydrophobicContact CG-CD1 3.47Å; F467-L589 VanDerWaalsContact CG-CD1 3.47Å; L589-S591 VanDerWaalsContact C-N 3.26Å; L589-S591 PolarHBondContact O-N 2.94Å; L589-D592 WeakPolarHBondContact CB-OD2 3.16Å; L589-D592 PolarHBondContact N-OD2 2.98Å; L589-D592 PolarHBondContact O-N 3.27Å; L589-D592 VanDerWaalsContact O-N 3.09Å; L589-F593 PolarHBondContact O-N 2.85Å; L589-Y710 HydrophobicContact CD2-CE1 3.8Å; L589-Y710 HydrophobicContact CD2-CE2 4.33Å; L589-Y710 WeakPolarHBondContact CD2-OH 3.43Å; L589-M730 HydrophobicContact CD2-CB 3.68Å; L589-L731 HydrophobicContact CD1-CD2 4.18Å
590	Y	91	Very high	90.7	Very high	82 Å²	82	41.2 Å²	41.2	32%	0.322	20%	0.196	S	C	.	.	H	α-helix	trans	-54.7	-43.3	177.9	174	-102.3	0	0	0	112.1	F593 K594	Y590-F593 PolarHBondContact O-N 2.91Å; Y590-K594 HydrophobicContact CE1-CD 3.98Å; Y590-K594 VanDerWaalsContact O-CB 3.24Å; Y590-K594 WeakPolarHBondContact O-CB 3.47Å; Y590-K594 PolarHBondContact O-N 2.95Å
591	S	90.7	Very high	89.8	Confident	10 Å²	10	44.7 Å²	44.7	7%	0.07	21%	0.212	C	C	.	.	H	α-helix	trans	-61.5	-43.3	175.5	58	0	0	0	0	112.8	F467 L589 K594 Q595	F467-S591 WeakPolarHBondContact CD2-OG 3.45Å; L589-S591 VanDerWaalsContact C-N 3.26Å; L589-S591 PolarHBondContact O-N 2.94Å; S591-K594 PolarHBondContact O-N 3.35Å; S591-Q595 WeakPolarHBondContact O-CB 3.34Å; S591-Q595 VanDerWaalsContact O-CG 3.23Å; S591-Q595 WeakPolarHBondContact O-CG 3.26Å; S591-Q595 PolarHBondContact O-N 3.01Å; S591-Q595 PolarHBondContact O-NE2 3.11Å
592	D	92.4	Very high	89.1	Confident	10 Å²	10	52.2 Å²	52.2	5%	0.053	25%	0.248	C	C	.	.	H	α-helix	trans	-65.1	-46.8	-178.8	-55.2	-29.3	0	0	0	109.5	L464 L588 L589 Q595 L596 R734	L464-D592 HydrophobicContact CD1-CB 3.94Å; L588-D592 HydrophobicContact CB-CB 4.11Å; L588-D592 HydrophobicContact CD2-CB 3.97Å; L589-D592 WeakPolarHBondContact CB-OD2 3.16Å; L589-D592 PolarHBondContact N-OD2 2.98Å; L589-D592 PolarHBondContact O-N 3.27Å; L589-D592 VanDerWaalsContact O-N 3.09Å; D592-Q595 PolarHBondContact O-N 3.48Å; D592-L596 WeakPolarHBondContact O-CB 3.35Å; D592-L596 VanDerWaalsContact O-CG 3.25Å; D592-L596 WeakPolarHBondContact O-CG 3.45Å; D592-L596 PolarHBondContact O-N 2.88Å; D592-R734 IonicContact OD2-NH1 3.45Å; D592-R734 PolarHBondContact OD2-NH1 2.9Å
593	F	93.5	Very high	88.8	Confident	23 Å²	23	54.5 Å²	54.5	10%	0.101	26%	0.256	C	S	.	.	H	α-helix	trans	-63	-44.4	177	-179.1	-106.7	0	0	0	112.4	L588 L589 Y590 L596 T597 V643 I681 E683 Y705	L588-F593 HydrophobicContact CB-CB 4.39Å; L588-F593 HydrophobicContact CD1-CB 4.34Å; L588-F593 HydrophobicContact CD1-CD2 4.1Å; L589-F593 PolarHBondContact O-N 2.85Å; Y590-F593 PolarHBondContact O-N 2.91Å; F593-L596 PolarHBondContact O-N 3.08Å; F593-T597 HydrophobicContact CD2-CG2 4.13Å; F593-T597 HydrophobicContact CE1-CG2 4.36Å; F593-T597 HydrophobicContact CE2-CG2 3.81Å; F593-T597 HydrophobicContact CZ-CG2 3.94Å; F593-T597 WeakPolarHBondContact O-CB 3.33Å; F593-T597 WeakPolarHBondContact O-CG2 3.2Å; F593-T597 PolarHBondContact O-N 3.26Å; F593-T597 PolarHBondContact O-OG1 2.89Å; F593-V643 HydrophobicContact CE2-CG1 3.88Å; F593-V643 HydrophobicContact CZ-CG1 3.99Å; F593-I681 HydrophobicContact CD2-CG2 4.33Å; F593-I681 HydrophobicContact CE2-CG2 4.23Å; F593-E683 HydrophobicContact CE2-CB 4.14Å; F593-E683 HydrophobicContact CZ-CB 3.97Å; F593-E683 HydrophobicContact CZ-CG 4.41Å; F593-Y705 HydrophobicContact CB-CD1 4.09Å; F593-Y705 HydrophobicContact CB-CD2 4.17Å; F593-Y705 HydrophobicContact CB-CG 3.87Å; F593-Y705 AromaticContact CD1-CD1 3.62Å; F593-Y705 HydrophobicContact CD1-CD1 3.62Å; F593-Y705 AromaticContact CD1-CE1 3.98Å; F593-Y705 HydrophobicContact CD1-CE1 3.98Å; F593-Y705 HydrophobicContact CD1-CG 4.26Å; F593-Y705 HydrophobicContact CD2-CD1 4.08Å; F593-Y705 HydrophobicContact CD2-CG 4.1Å; F593-Y705 AromaticContact CE1-CD1 3.99Å; F593-Y705 HydrophobicContact CE1-CD1 3.99Å; F593-Y705 HydrophobicContact CE1-CE1 4.42Å; F593-Y705 HydrophobicContact CE2-CD1 4.42Å; F593-Y705 AromaticContact CG-CD1 3.66Å; F593-Y705 HydrophobicContact CG-CD1 3.66Å; F593-Y705 HydrophobicContact CG-CE1 4.36Å; F593-Y705 AromaticContact CG-CG 3.82Å; F593-Y705 HydrophobicContact CG-CG 3.82Å; F593-Y705 HydrophobicContact CZ-CD1 4.37Å
594	K	91.6	Very high	88.7	Confident	111 Å²	111	53.5 Å²	53.5	48%	0.483	25%	0.252	S	S	.	.	H	α-helix	trans	-64.6	-43.6	177.1	-174.5	176.6	180	179.1	0	111.8	Y590 S591 T598	Y590-K594 HydrophobicContact CE1-CD 3.98Å; Y590-K594 VanDerWaalsContact O-CB 3.24Å; Y590-K594 WeakPolarHBondContact O-CB 3.47Å; Y590-K594 PolarHBondContact O-N 2.95Å; S591-K594 PolarHBondContact O-N 3.35Å; K594-T598 HydrophobicContact CG-CG2 4.42Å; K594-T598 WeakPolarHBondContact O-CB 3.29Å; K594-T598 WeakPolarHBondContact O-CG2 3.3Å; K594-T598 PolarHBondContact O-N 3.42Å; K594-T598 VanDerWaalsContact O-N 3.15Å; K594-T598 PolarHBondContact O-OG1 2.95Å
595	Q	91.7	Very high	88.7	Confident	38 Å²	38	50.5 Å²	50.5	18%	0.178	24%	0.236	C	C	.	.	H	α-helix	trans	-60.4	-48.4	174.1	-75.9	175.8	81.2	0	0	111	L464 V465 S591 D592 T597 M599	L464-Q595 HydrophobicContact CD2-CB 3.73Å; V465-Q595 PolarHBondContact O-NE2 3.21Å; S591-Q595 WeakPolarHBondContact O-CB 3.34Å; S591-Q595 VanDerWaalsContact O-CG 3.23Å; S591-Q595 WeakPolarHBondContact O-CG 3.26Å; S591-Q595 PolarHBondContact O-N 3.01Å; S591-Q595 PolarHBondContact O-NE2 3.11Å; D592-Q595 PolarHBondContact O-N 3.48Å; Q595-T597 PolarHBondContact O-N 3.34Å; Q595-M599 HydrophobicContact CB-CE 4.44Å; Q595-M599 WeakPolarHBondContact O-CG 3.46Å; Q595-M599 PolarHBondContact O-N 3.46Å
596	L	90.9	Very high	88.7	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-60	-44.9	179.3	-75.6	169.1	0	0	0	113.2	L464 I564 L581 L588 D592 F593 L641	L464-L596 HydrophobicContact CD1-CD1 4.38Å; L464-L596 HydrophobicContact CD1-CD2 4.46Å; L464-L596 HydrophobicContact CD1-CG 4.17Å; L464-L596 HydrophobicContact CD2-CD2 4.25Å; L464-L596 HydrophobicContact CD2-CG 4.24Å; I564-L596 HydrophobicContact CD1-CD2 4.06Å; L581-L596 HydrophobicContact CD1-CD2 3.72Å; L581-L596 HydrophobicContact CD2-CD2 3.6Å; L581-L596 HydrophobicContact CG-CD2 4.29Å; L588-L596 HydrophobicContact CD1-CD1 3.71Å; L588-L596 HydrophobicContact CD2-CD1 3.57Å; L588-L596 HydrophobicContact CG-CD1 4.3Å; D592-L596 WeakPolarHBondContact O-CB 3.35Å; D592-L596 VanDerWaalsContact O-CG 3.25Å; D592-L596 WeakPolarHBondContact O-CG 3.45Å; D592-L596 PolarHBondContact O-N 2.88Å; F593-L596 PolarHBondContact O-N 3.08Å; L596-L641 WeakPolarHBondContact O-CD1 3.22Å
597	T	91.2	Very high	88.6	Confident	43 Å²	43	53.3 Å²	53.3	26%	0.264	25%	0.254	S	S	.	.	H	α-helix	trans	-83.5	-16	-172.1	53.3	0	0	0	0	114.6	F593 Q595 V643	F593-T597 HydrophobicContact CD2-CG2 4.13Å; F593-T597 HydrophobicContact CE1-CG2 4.36Å; F593-T597 HydrophobicContact CE2-CG2 3.81Å; F593-T597 HydrophobicContact CZ-CG2 3.94Å; F593-T597 WeakPolarHBondContact O-CB 3.33Å; F593-T597 WeakPolarHBondContact O-CG2 3.2Å; F593-T597 PolarHBondContact O-N 3.26Å; F593-T597 PolarHBondContact O-OG1 2.89Å; Q595-T597 PolarHBondContact O-N 3.34Å; T597-V643 HydrophobicContact CG2-CG2 3.96Å
598	T	88.8	Confident	88.5	Confident	90 Å²	90	57.6 Å²	57.6	55%	0.552	28%	0.28	S	S	*	.	H	α-helix	trans	-104.4	-4.6	-177.9	61.8	0	0	0	0	114.6	K594 K600	K594-T598 HydrophobicContact CG-CG2 4.42Å; K594-T598 WeakPolarHBondContact O-CB 3.29Å; K594-T598 WeakPolarHBondContact O-CG2 3.3Å; K594-T598 PolarHBondContact O-N 3.42Å; K594-T598 VanDerWaalsContact O-N 3.15Å; K594-T598 PolarHBondContact O-OG1 2.95Å; T598-K600 PolarHBondContact O-N 2.67Å
599	M	82.5	Confident	88.6	Confident	37 Å²	37	58.1 Å²	58.1	18%	0.182	28%	0.283	C	S	.	.			trans	-63.9	124.5	176.2	-81.4	-173.5	-154.3	0	0	112	L464 L581 Q595	L464-M599 HydrophobicContact CD2-CE 4.01Å; L581-M599 HydrophobicContact CD1-CE 3.71Å; L581-M599 HydrophobicContact CD1-SD 3.57Å; L581-M599 VanDerWaalsContact CD1-SD 3.57Å; Q595-M599 HydrophobicContact CB-CE 4.44Å; Q595-M599 WeakPolarHBondContact O-CG 3.46Å; Q595-M599 PolarHBondContact O-N 3.46Å
600	K	67.8	Low	88.8	Confident	207 Å²	207	60 Å²	60	90%	0.9	29%	0.293	S	S	*	.			trans	-104.8	85.2	176.6	-68.2	-175	-179.5	179.5	0	110.7	T598	T598-K600 PolarHBondContact O-N 2.67Å
601	E	70.7	Confident	89.2	Confident	73 Å²	73	56.1 Å²	56.1	34%	0.341	28%	0.278	S	S	.	.	S	Bend	trans	-138.3	155	165.2	-70.9	-166.6	142	0	0	110.5	R462 H603 Y604 R605	R462-E601 VanDerWaalsContact CZ-CD 3.43Å; R462-E601 IonicContact CZ-OE1 3.07Å; R462-E601 IonicContact CZ-OE2 3.85Å; R462-E601 VanDerWaalsContact CZ-OE2 3.23Å; R462-E601 IonicContact NE-OE1 3.46Å; R462-E601 IonicContact NE-OE2 3.43Å; R462-E601 PolarHBondContact NE-OE2 3.21Å; R462-E601 IonicContact NH2-OE1 3.2Å; R462-E601 PolarHBondContact NH2-OE1 3.05Å; R462-E601 IonicContact NH2-OE2 3.56Å; R462-E601 PolarHBondContact NH2-OE2 2.96Å; E601-H603 PolarHBondContact O-N 2.76Å; E601-H603 VanDerWaalsContact O-N 3.14Å; E601-Y604 HydrophobicContact CB-CD2 4.05Å; E601-Y604 PolarHBondContact O-N 3.44Å; E601-Y604 WeakPolarHBondContact OE2-CD2 3.38Å; E601-Y604 WeakPolarHBondContact OE2-CE2 3Å; E601-R605 PolarHBondContact O-N 2.78Å
602	E	75.6	Confident	89.5	Confident	159 Å²	159	56.2 Å²	56.2	74%	0.743	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-29.7	177	-171	176.3	160.3	0	0	113
603	H	83.9	Confident	89.8	Confident	66 Å²	66	56 Å²	56	31%	0.306	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-14.7	-176.9	-54.2	-56.8	0	0	0	115.1	E601	E601-H603 PolarHBondContact O-N 2.76Å; E601-H603 VanDerWaalsContact O-N 3.14Å
604	Y	88.8	Confident	89.9	Confident	2 Å²	2	56 Å²	56	1%	0.008	28%	0.278	C	S	.	.	S	Bend	trans	-130.5	21.3	-170.6	-52.1	-62.7	0	0	0	114	R462 R580 L581 E601 A606	R462-Y604 HydrophobicContact CG-CE2 4.4Å; R580-Y604 WeakPolarHBondContact CA-OH 3.44Å; R580-Y604 PolarHBondContact N-OH 2.91Å; R580-Y604 PolarHBondContact O-OH 2.78Å; L581-Y604 HydrophobicContact CB-CD1 4.42Å; L581-Y604 HydrophobicContact CB-CE1 4.06Å; E601-Y604 HydrophobicContact CB-CD2 4.05Å; E601-Y604 PolarHBondContact O-N 3.44Å; E601-Y604 WeakPolarHBondContact OE2-CD2 3.38Å; E601-Y604 WeakPolarHBondContact OE2-CE2 3Å; Y604-A606 PolarHBondContact O-N 3.01Å; Y604-A606 VanDerWaalsContact O-N 3.11Å
605	R	92.4	Very high	89.9	Confident	96 Å²	96	52.4 Å²	52.4	36%	0.362	27%	0.265	S	S	.	.			trans	-52.9	118.4	179.4	177.6	-178.8	165.2	-158.6	-11.5	111.5	E601 D607 S637 V640 L641	E601-R605 PolarHBondContact O-N 2.78Å; R605-D607 IonicContact CZ-OD1 3.84Å; R605-D607 IonicContact CZ-OD2 3.99Å; R605-D607 VanDerWaalsContact CZ-OD2 3.23Å; R605-D607 IonicContact NE-OD1 2.79Å; R605-D607 PolarHBondContact NE-OD1 2.88Å; R605-D607 IonicContact NE-OD2 3.76Å; R605-D607 PolarHBondContact NE-OD2 3.4Å; R605-D607 VanDerWaalsContact NH2-CG 3.3Å; R605-D607 IonicContact NH2-OD1 2.82Å; R605-D607 PolarHBondContact NH2-OD1 2.73Å; R605-D607 IonicContact NH2-OD2 3.88Å; R605-D607 PolarHBondContact NH2-OD2 2.95Å; R605-D607 VanDerWaalsContact NH2-OD2 3.11Å; R605-S637 PolarHBondContact NH1-O 2.87Å; R605-V640 PolarHBondContact O-N 3.5Å; R605-L641 PolarHBondContact O-N 3.1Å
606	A	93.9	Very high	90	Very high	27 Å²	27	55.9 Å²	55.9	22%	0.223	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	138.8	171.8	0	0	0	0	0	111.7	Y604 L641	Y604-A606 PolarHBondContact O-N 3.01Å; Y604-A606 VanDerWaalsContact O-N 3.11Å; A606-L641 VanDerWaalsContact CA-O 3.32Å; A606-L641 WeakPolarHBondContact CA-O 3.42Å; A606-L641 HydrophobicContact CB-CB 3.87Å; A606-L641 HydrophobicContact CB-CD1 4.27Å; A606-L641 HydrophobicContact CB-CG 4.41Å
607	D	95.3	Very high	90.1	Very high	41 Å²	41	63.8 Å²	63.8	22%	0.219	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	136.5	169	-57.8	-97.8	0	0	0	109.5	R605 M634 T639 L641 V643	R605-D607 IonicContact CZ-OD1 3.84Å; R605-D607 IonicContact CZ-OD2 3.99Å; R605-D607 VanDerWaalsContact CZ-OD2 3.23Å; R605-D607 IonicContact NE-OD1 2.79Å; R605-D607 PolarHBondContact NE-OD1 2.88Å; R605-D607 IonicContact NE-OD2 3.76Å; R605-D607 PolarHBondContact NE-OD2 3.4Å; R605-D607 VanDerWaalsContact NH2-CG 3.3Å; R605-D607 IonicContact NH2-OD1 2.82Å; R605-D607 PolarHBondContact NH2-OD1 2.73Å; R605-D607 IonicContact NH2-OD2 3.88Å; R605-D607 PolarHBondContact NH2-OD2 2.95Å; R605-D607 VanDerWaalsContact NH2-OD2 3.11Å; D607-M634 HydrophobicContact CB-CE 3.46Å; D607-M634 VanDerWaalsContact CB-CE 3.46Å; D607-T639 HydrophobicContact CB-CG2 3.84Å; D607-T639 VanDerWaalsContact OD2-CB 3.31Å; D607-T639 WeakPolarHBondContact OD2-CB 3.33Å; D607-T639 WeakPolarHBondContact OD2-CG2 3.31Å; D607-T639 PolarHBondContact OD2-OG1 2.95Å; D607-L641 PolarHBondContact N-O 2.89Å; D607-V643 PolarHBondContact O-N 2.83Å
608	T	97	Very high	90.4	Very high	90 Å²	90	63.7 Å²	63.7	55%	0.552	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	130.7	-175.9	-52.1	0	0	0	0	112.1	V643	T608-V643 CarbonylContact C-O 3.59Å; T608-V643 WeakPolarHBondContact CA-O 3.38Å; T608-V643 HydrophobicContact CG2-CB 4.31Å; T608-V643 HydrophobicContact CG2-CG1 4.32Å
609	L	97.9	Very high	90.7	Very high	11 Å²	11	62.6 Å²	62.6	6%	0.058	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	116.3	170.4	-177.9	61	0	0	0	109.3	I611 L627 K630 A631 M634 L642 V643 L644 S645 I665	L609-I611 PolarHBondContact O-N 2.98Å; L609-L627 HydrophobicContact CD1-CD2 3.89Å; L609-L627 HydrophobicContact CD2-CB 4.47Å; L609-L627 HydrophobicContact CD2-CD2 3.97Å; L609-L627 HydrophobicContact CG-CD2 3.82Å; L609-K630 HydrophobicContact CD1-CB 3.81Å; L609-K630 HydrophobicContact CD1-CD 3.94Å; L609-K630 HydrophobicContact CD1-CG 4.49Å; L609-A631 HydrophobicContact CD2-CB 4.04Å; L609-M634 HydrophobicContact CB-CE 4.33Å; L609-M634 HydrophobicContact CB-SD 4.24Å; L609-M634 HydrophobicContact CD1-SD 4.17Å; L609-L642 HydrophobicContact CB-CD1 4.16Å; L609-V643 PolarHBondContact N-O 3.36Å; L609-L644 HydrophobicContact CB-CD2 4.03Å; L609-L644 HydrophobicContact CD2-CD2 3.93Å; L609-L644 HydrophobicContact CG-CD2 4.36Å; L609-L644 WeakPolarHBondContact O-CA 3.5Å; L609-S645 PolarHBondContact O-N 2.75Å; L609-I665 HydrophobicContact CD2-CD1 3.99Å
610	D	98	Very high	91.4	Very high	42 Å²	42	60.9 Å²	60.9	23%	0.225	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	116.3	177	-174.3	-24.2	0	0	0	110	T612 L627 N648 R653	D610-T612 VanDerWaalsContact C-N 3.34Å; D610-T612 WeakPolarHBondContact OD1-CB 3.11Å; D610-T612 WeakPolarHBondContact OD1-CG2 3.34Å; D610-T612 PolarHBondContact OD1-N 2.74Å; D610-T612 PolarHBondContact OD1-OG1 3.16Å; D610-L627 WeakPolarHBondContact O-CD2 3.32Å; D610-N648 PolarHBondContact OD2-ND2 3.44Å; D610-R653 VanDerWaalsContact CG-NH2 3.28Å; D610-R653 IonicContact OD1-NH2 3.71Å; D610-R653 IonicContact OD2-CZ 2.7Å; D610-R653 IonicContact OD2-NH2 3.57Å; D610-R653 PolarHBondContact OD2-NH2 3.34Å
611	I	98.1	Very high	92.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.28	C	S	.	.			trans	-99	40.6	179.9	60.8	160.9	0	0	0	112	L609 L627 L644 S645 D646 V656 A658 A661	L609-I611 PolarHBondContact O-N 2.98Å; I611-L627 HydrophobicContact CB-CD1 4.24Å; I611-L627 HydrophobicContact CG2-CD1 3.97Å; I611-L627 HydrophobicContact CG2-CD2 4.14Å; I611-L644 HydrophobicContact CD1-CB 4.37Å; I611-L644 HydrophobicContact CG2-CB 4.08Å; I611-L644 HydrophobicContact CG2-CD2 4.34Å; I611-S645 VanDerWaalsContact CG1-O 3.26Å; I611-S645 WeakPolarHBondContact CG1-O 3.44Å; I611-S645 PolarHBondContact N-O 3.11Å; I611-D646 HydrophobicContact CD1-CB 3.99Å; I611-D646 HydrophobicContact CG1-CB 3.88Å; I611-V656 HydrophobicContact CB-CB 4.42Å; I611-V656 VanDerWaalsContact O-CB 3.29Å; I611-V656 WeakPolarHBondContact O-CB 3.4Å; I611-V656 WeakPolarHBondContact O-CG2 3.43Å; I611-V656 PolarHBondContact O-N 2.85Å; I611-A658 HydrophobicContact CD1-CB 4.26Å; I611-A661 HydrophobicContact CB-CB 4.48Å; I611-A661 HydrophobicContact CD1-CB 4.33Å; I611-A661 HydrophobicContact CG2-CB 4.08Å
612	T	97.9	Very high	94.1	Very high	12 Å²	12	52.8 Å²	52.8	7%	0.074	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	152.1	170.5	69	0	0	0	0	111.4	D610 N648 I649 R653 L654	D610-T612 VanDerWaalsContact C-N 3.34Å; D610-T612 WeakPolarHBondContact OD1-CB 3.11Å; D610-T612 WeakPolarHBondContact OD1-CG2 3.34Å; D610-T612 PolarHBondContact OD1-N 2.74Å; D610-T612 PolarHBondContact OD1-OG1 3.16Å; T612-N648 HydrophobicContact CG2-CB 4.39Å; T612-I649 HydrophobicContact CG2-CG2 4.11Å; T612-R653 PolarHBondContact OG1-NE 2.84Å; T612-R653 PolarHBondContact OG1-NH2 2.95Å; T612-L654 CarbonylContact C-O 3.38Å; T612-L654 VanDerWaalsContact CA-O 3.28Å; T612-L654 WeakPolarHBondContact CA-O 3.19Å; T612-L654 WeakPolarHBondContact CB-O 3.36Å
613	F	97.3	Very high	95.2	Very high	6 Å²	6	45.5 Å²	45.5	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	149.4	-177.1	72.3	-75	0	0	0	113.6	V615 T618 L620 T623 R653 L654 V656 Q792	F613-V615 HydrophobicContact CE2-CB 4.19Å; F613-V615 HydrophobicContact CE2-CG2 4.18Å; F613-T618 HydrophobicContact CB-CG2 4.04Å; F613-T618 HydrophobicContact CD2-CG2 4.04Å; F613-L620 HydrophobicContact CD1-CD1 4.49Å; F613-L620 HydrophobicContact CE1-CD1 3.82Å; F613-L620 HydrophobicContact CZ-CB 4.11Å; F613-L620 HydrophobicContact CZ-CD1 4.17Å; F613-T623 HydrophobicContact CB-CG2 3.68Å; F613-T623 WeakPolarHBondContact CB-OG1 3.48Å; F613-T623 HydrophobicContact CG-CG2 4.26Å; F613-R653 CarbonylContact O-C 3.55Å; F613-R653 VanDerWaalsContact O-CA 3.28Å; F613-R653 WeakPolarHBondContact O-CA 3.45Å; F613-L654 HydrophobicContact CD1-CB 4.33Å; F613-L654 WeakPolarHBondContact CD1-O 3.4Å; F613-L654 HydrophobicContact CE1-CB 3.83Å; F613-L654 HydrophobicContact CZ-CB 4.11Å; F613-L654 HydrophobicContact CZ-CD1 4.28Å; F613-L654 PolarHBondContact N-O 3.11Å; F613-L654 PolarHBondContact O-N 3.33Å; F613-V656 HydrophobicContact CD1-CG2 3.78Å; F613-V656 HydrophobicContact CE1-CG2 4.33Å; F613-Q792 HydrophobicContact CZ-CG 4.34Å
614	D	96.4	Very high	95.9	Very high	24 Å²	24	42.4 Å²	42.4	13%	0.128	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	111.4	172.7	-178.7	-23.3	0	0	0	109.7	T616 K617 T618	D614-T616 PolarHBondContact O-N 2.78Å; D614-T616 VanDerWaalsContact O-N 3.16Å; D614-T616 WeakPolarHBondContact OD1-CA 3.36Å; D614-T616 VanDerWaalsContact OD1-CB 3.32Å; D614-T616 WeakPolarHBondContact OD1-CB 3.31Å; D614-T616 PolarHBondContact OD1-N 2.79Å; D614-T616 PolarHBondContact OD1-OG1 3.48Å; D614-K617 HydrophobicContact CB-CB 4.31Å; D614-K617 HydrophobicContact CB-CD 4.29Å; D614-K617 HydrophobicContact CB-CG 4.26Å; D614-K617 PolarHBondContact O-N 3.27Å; D614-K617 IonicContact OD2-NZ 2.69Å; D614-K617 PolarHBondContact OD2-NZ 2.78Å; D614-T618 PolarHBondContact O-N 3.41Å
615	V	92.5	Very high	96.3	Very high	35 Å²	35	46.6 Å²	46.6	21%	0.212	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-10.2	-175.6	73.2	0	0	0	0	113.4	F613 D652 L654 Q792 L796	F613-V615 HydrophobicContact CE2-CB 4.19Å; F613-V615 HydrophobicContact CE2-CG2 4.18Å; V615-D652 PolarHBondContact N-O 2.94Å; V615-L654 HydrophobicContact CB-CD1 3.91Å; V615-L654 HydrophobicContact CB-CG 4.38Å; V615-L654 HydrophobicContact CG1-CD1 4.26Å; V615-L654 HydrophobicContact CG2-CD1 3.96Å; V615-Q792 HydrophobicContact CG2-CG 4.25Å; V615-L796 HydrophobicContact CB-CD2 4.5Å; V615-L796 HydrophobicContact CG1-CD2 3.93Å; V615-L796 HydrophobicContact CG2-CD1 4.06Å; V615-L796 HydrophobicContact CG2-CD2 3.94Å; V615-L796 HydrophobicContact CG2-CG 4.13Å
616	T	92.4	Very high	96.6	Very high	110 Å²	110	46.2 Å²	46.2	68%	0.675	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-14.7	172.8	73.5	0	0	0	0	113.1	D614	D614-T616 PolarHBondContact O-N 2.78Å; D614-T616 VanDerWaalsContact O-N 3.16Å; D614-T616 WeakPolarHBondContact OD1-CA 3.36Å; D614-T616 VanDerWaalsContact OD1-CB 3.32Å; D614-T616 WeakPolarHBondContact OD1-CB 3.31Å; D614-T616 PolarHBondContact OD1-N 2.79Å; D614-T616 PolarHBondContact OD1-OG1 3.48Å
617	K	94.6	Very high	96.8	Very high	169 Å²	169	45.1 Å²	45.1	74%	0.735	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.5	-29	-174.2	-64.2	-172.4	177.2	96.1	0	114.3	D614	D614-K617 HydrophobicContact CB-CB 4.31Å; D614-K617 HydrophobicContact CB-CD 4.29Å; D614-K617 HydrophobicContact CB-CG 4.26Å; D614-K617 PolarHBondContact O-N 3.27Å; D614-K617 IonicContact OD2-NZ 2.69Å; D614-K617 PolarHBondContact OD2-NZ 2.78Å
618	T	96	Very high	96.9	Very high	41 Å²	41	43.4 Å²	43.4	25%	0.252	23%	0.234	S	C	.	.			trans	-152.1	164.8	-172.6	-172.2	0	0	0	0	111.7	F613 D614 T623	F613-T618 HydrophobicContact CB-CG2 4.04Å; F613-T618 HydrophobicContact CD2-CG2 4.04Å; D614-T618 PolarHBondContact O-N 3.41Å; T618-T623 VanDerWaalsContact CG2-OG1 3.23Å; T618-T623 WeakPolarHBondContact CG2-OG1 3.44Å
619	T	96.5	Very high	97	Very high	67 Å²	67	43.2 Å²	43.2	41%	0.411	23%	0.229	S	C	.	.			trans	-95.8	162.8	173.2	66.8	0	0	0	0	111.4	E621 A622 T623 Q792	T619-E621 PolarHBondContact O-N 3Å; T619-A622 PolarHBondContact O-N 2.78Å; T619-A622 WeakPolarHBondContact OG1-CB 3.12Å; T619-A622 PolarHBondContact OG1-N 2.84Å; T619-T623 WeakPolarHBondContact O-CB 3.47Å; T619-T623 PolarHBondContact O-N 2.83Å; T619-T623 PolarHBondContact O-OG1 3.48Å; T619-Q792 VanDerWaalsContact CA-OE1 3.28Å
620	L	97.4	Very high	97	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-57	-46.5	175.7	-179.8	60.4	0	0	0	112	F613 T623 V624 V656 M660 F788 F791 Q792	F613-L620 HydrophobicContact CD1-CD1 4.49Å; F613-L620 HydrophobicContact CE1-CD1 3.82Å; F613-L620 HydrophobicContact CZ-CB 4.11Å; F613-L620 HydrophobicContact CZ-CD1 4.17Å; L620-T623 WeakPolarHBondContact O-CB 3.48Å; L620-T623 PolarHBondContact O-N 3.2Å; L620-V624 WeakPolarHBondContact O-CG2 3.45Å; L620-V624 PolarHBondContact O-N 3Å; L620-V656 HydrophobicContact CD1-CB 4.28Å; L620-V656 HydrophobicContact CD1-CG1 3.99Å; L620-V656 HydrophobicContact CD1-CG2 4.07Å; L620-M660 HydrophobicContact CD2-CE 4.47Å; L620-M660 HydrophobicContact CD2-SD 4.05Å; L620-F788 HydrophobicContact CD2-CD1 4.15Å; L620-F788 HydrophobicContact CG-CD1 4.07Å; L620-F791 HydrophobicContact CD2-CB 3.85Å; L620-Q792 HydrophobicContact CB-CB 4.2Å
621	E	97.5	Very high	97	Very high	69 Å²	69	44.6 Å²	44.6	32%	0.322	23%	0.233	S	C	.	.	H	α-helix	trans	-62.5	-47.7	178.9	-170.8	-158.5	168.9	0	0	112.1	T619 T623 V624 K625 L774 F788	T619-E621 PolarHBondContact O-N 3Å; E621-T623 VanDerWaalsContact C-N 3.28Å; E621-T623 PolarHBondContact O-N 2.69Å; E621-V624 PolarHBondContact O-N 2.91Å; E621-K625 PolarHBondContact O-N 2.78Å; E621-K625 VanDerWaalsContact O-N 3.12Å; E621-K625 WeakPolarHBondContact OE1-CE 3.28Å; E621-K625 IonicContact OE1-NZ 2.7Å; E621-K625 PolarHBondContact OE1-NZ 3.33Å; E621-L774 HydrophobicContact CG-CD2 4.22Å; E621-F788 HydrophobicContact CB-CB 4.03Å; E621-F788 HydrophobicContact CB-CD1 4.28Å; E621-F788 HydrophobicContact CB-CD2 3.87Å; E621-F788 HydrophobicContact CB-CE2 4.41Å; E621-F788 HydrophobicContact CB-CG 3.81Å; E621-F788 HydrophobicContact CG-CD2 3.72Å; E621-F788 HydrophobicContact CG-CE2 3.89Å; E621-F788 HydrophobicContact CG-CG 4.18Å; E621-F788 HydrophobicContact CG-CZ 4.48Å
622	A	97.5	Very high	97	Very high	42 Å²	42	46.2 Å²	46.2	35%	0.347	24%	0.241	S	C	.	.	H	α-helix	trans	-62.8	-37.8	178.5	0	0	0	0	0	111.4	T619 K625 E626	T619-A622 PolarHBondContact O-N 2.78Å; T619-A622 WeakPolarHBondContact OG1-CB 3.12Å; T619-A622 PolarHBondContact OG1-N 2.84Å; A622-K625 PolarHBondContact O-N 2.88Å; A622-E626 PolarHBondContact O-N 3.09Å
623	T	98	Very high	96.9	Very high	6 Å²	6	53.5 Å²	53.5	4%	0.037	27%	0.272	C	S	.	.	H	α-helix	trans	-61.3	-47.8	173.2	-55.9	0	0	0	0	111.6	F613 T618 T619 L620 E621 K625 E626 L627 V656	F613-T623 HydrophobicContact CB-CG2 3.68Å; F613-T623 WeakPolarHBondContact CB-OG1 3.48Å; F613-T623 HydrophobicContact CG-CG2 4.26Å; T618-T623 VanDerWaalsContact CG2-OG1 3.23Å; T618-T623 WeakPolarHBondContact CG2-OG1 3.44Å; T619-T623 WeakPolarHBondContact O-CB 3.47Å; T619-T623 PolarHBondContact O-N 2.83Å; T619-T623 PolarHBondContact O-OG1 3.48Å; L620-T623 WeakPolarHBondContact O-CB 3.48Å; L620-T623 PolarHBondContact O-N 3.2Å; E621-T623 VanDerWaalsContact C-N 3.28Å; E621-T623 PolarHBondContact O-N 2.69Å; T623-K625 VanDerWaalsContact C-N 3.27Å; T623-K625 PolarHBondContact O-N 2.69Å; T623-E626 PolarHBondContact O-N 3.38Å; T623-E626 VanDerWaalsContact O-N 3.17Å; T623-L627 HydrophobicContact CG2-CD1 4Å; T623-L627 HydrophobicContact CG2-CG 4.22Å; T623-L627 WeakPolarHBondContact O-CB 3.34Å; T623-L627 VanDerWaalsContact O-CG 3.28Å; T623-L627 WeakPolarHBondContact O-CG 3.42Å; T623-L627 PolarHBondContact O-N 2.97Å; T623-V656 HydrophobicContact CG2-CG2 3.7Å
624	V	98.1	Very high	96.9	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.006	28%	0.279	C	S	.	.	H	α-helix	trans	-59.3	-40.3	179.4	170.5	0	0	0	0	111.2	L620 E621 L627 C628 V656 M660 A664 L774 F788	L620-V624 WeakPolarHBondContact O-CG2 3.45Å; L620-V624 PolarHBondContact O-N 3Å; E621-V624 PolarHBondContact O-N 2.91Å; V624-L627 PolarHBondContact O-N 3.43Å; V624-C628 PolarHBondContact O-N 3.19Å; V624-C628 VanDerWaalsContact O-N 3.14Å; V624-C628 PolarHBondContact O-SG 2.84Å; V624-V656 HydrophobicContact CG2-CG1 3.9Å; V624-M660 HydrophobicContact CG2-CB 4.46Å; V624-A664 HydrophobicContact CG1-CB 3.54Å; V624-L774 HydrophobicContact CG1-CD2 4.07Å; V624-L774 HydrophobicContact CG1-CG 4.3Å; V624-F788 HydrophobicContact CG2-CE1 4.47Å
625	K	98	Very high	96.9	Very high	90 Å²	90	54.2 Å²	54.2	39%	0.391	28%	0.275	S	S	.	.	H	α-helix	trans	-63.5	-47.1	174.4	-68.4	171.5	177.4	173.6	0	111.9	E621 A622 T623 L627 C628 D629 L774	E621-K625 PolarHBondContact O-N 2.78Å; E621-K625 VanDerWaalsContact O-N 3.12Å; E621-K625 WeakPolarHBondContact OE1-CE 3.28Å; E621-K625 IonicContact OE1-NZ 2.7Å; E621-K625 PolarHBondContact OE1-NZ 3.33Å; A622-K625 PolarHBondContact O-N 2.88Å; T623-K625 VanDerWaalsContact C-N 3.27Å; T623-K625 PolarHBondContact O-N 2.69Å; K625-L627 VanDerWaalsContact C-N 3.32Å; K625-L627 PolarHBondContact O-N 3.11Å; K625-C628 WeakPolarHBondContact O-CB 3.4Å; K625-C628 PolarHBondContact O-N 3.35Å; K625-C628 VanDerWaalsContact O-N 3.17Å; K625-D629 PolarHBondContact O-N 3.26Å; K625-D629 VanDerWaalsContact O-N 3.15Å; K625-L774 HydrophobicContact CG-CD1 4.41Å; K625-L774 HydrophobicContact CG-CD2 4.01Å
626	E	97.9	Very high	97	Very high	88 Å²	88	58.9 Å²	58.9	41%	0.411	29%	0.289	S	S	.	.	H	α-helix	trans	-62.3	-36.9	177.1	-164.7	-165.2	171.8	0	0	112.5	A622 T623 D629 K630	A622-E626 PolarHBondContact O-N 3.09Å; T623-E626 PolarHBondContact O-N 3.38Å; T623-E626 VanDerWaalsContact O-N 3.17Å; E626-D629 PolarHBondContact O-N 3.07Å; E626-K630 HydrophobicContact CG-CD 4.4Å; E626-K630 WeakPolarHBondContact O-CB 3.35Å; E626-K630 WeakPolarHBondContact O-CG 3.17Å; E626-K630 PolarHBondContact O-N 3.12Å; E626-K630 WeakPolarHBondContact OE1-CE 3.27Å; E626-K630 IonicContact OE1-NZ 2.73Å; E626-K630 PolarHBondContact OE1-NZ 3.38Å; E626-K630 IonicContact OE2-NZ 2.86Å; E626-K630 PolarHBondContact OE2-NZ 3.05Å
627	L	98.2	Very high	97.1	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-39.5	174.8	-72.8	172.3	0	0	0	111.7	L609 D610 I611 T623 V624 K625 K630 A631 V656 A661 I665	L609-L627 HydrophobicContact CD1-CD2 3.89Å; L609-L627 HydrophobicContact CD2-CB 4.47Å; L609-L627 HydrophobicContact CD2-CD2 3.97Å; L609-L627 HydrophobicContact CG-CD2 3.82Å; D610-L627 WeakPolarHBondContact O-CD2 3.32Å; I611-L627 HydrophobicContact CB-CD1 4.24Å; I611-L627 HydrophobicContact CG2-CD1 3.97Å; I611-L627 HydrophobicContact CG2-CD2 4.14Å; T623-L627 HydrophobicContact CG2-CD1 4Å; T623-L627 HydrophobicContact CG2-CG 4.22Å; T623-L627 WeakPolarHBondContact O-CB 3.34Å; T623-L627 VanDerWaalsContact O-CG 3.28Å; T623-L627 WeakPolarHBondContact O-CG 3.42Å; T623-L627 PolarHBondContact O-N 2.97Å; V624-L627 PolarHBondContact O-N 3.43Å; K625-L627 VanDerWaalsContact C-N 3.32Å; K625-L627 PolarHBondContact O-N 3.11Å; L627-K630 PolarHBondContact O-N 2.65Å; L627-A631 VanDerWaalsContact O-CB 3.24Å; L627-A631 WeakPolarHBondContact O-CB 3.32Å; L627-A631 PolarHBondContact O-N 3.13Å; L627-V656 HydrophobicContact CD1-CG1 4.45Å; L627-V656 HydrophobicContact CD1-CG2 4.07Å; L627-A661 HydrophobicContact CD1-CB 4.48Å; L627-I665 HydrophobicContact CB-CD1 4.43Å
628	C	98.2	Very high	97	Very high	5 Å²	5	49.7 Å²	49.7	3%	0.034	25%	0.254	C	S	.	.	H	α-helix	trans	-62.5	-44	174	-65.2	0	0	0	0	112	V624 K625 A631 E632 A664 R668	V624-C628 PolarHBondContact O-N 3.19Å; V624-C628 VanDerWaalsContact O-N 3.14Å; V624-C628 PolarHBondContact O-SG 2.84Å; K625-C628 WeakPolarHBondContact O-CB 3.4Å; K625-C628 PolarHBondContact O-N 3.35Å; K625-C628 VanDerWaalsContact O-N 3.17Å; C628-A631 PolarHBondContact O-N 3.38Å; C628-E632 WeakPolarHBondContact O-CB 3.13Å; C628-E632 PolarHBondContact O-N 2.91Å; C628-A664 VanDerWaalsContact SG-C 3.58Å; C628-R668 HydrophobicContact CB-CB 4.15Å; C628-R668 HydrophobicContact CB-CG 4.17Å
629	D	98.1	Very high	96.9	Very high	85 Å²	85	47.8 Å²	47.8	46%	0.455	24%	0.242	S	C	.	.	H	α-helix	trans	-66.1	-39.3	178.6	-62.9	-25.3	0	0	0	112.1	K625 E626 K633 R668	K625-D629 PolarHBondContact O-N 3.26Å; K625-D629 VanDerWaalsContact O-N 3.15Å; E626-D629 PolarHBondContact O-N 3.07Å; D629-K633 WeakPolarHBondContact O-CB 3.32Å; D629-K633 PolarHBondContact O-N 3.22Å; D629-K633 VanDerWaalsContact O-N 3.12Å; D629-R668 IonicContact OD1-CZ 2.69Å; D629-R668 IonicContact OD1-NH1 3.14Å; D629-R668 PolarHBondContact OD1-NH1 3.49Å; D629-R668 IonicContact OD1-NH2 3.3Å; D629-R668 PolarHBondContact OD1-NH2 3.46Å
630	K	98	Very high	96.8	Very high	82 Å²	82	44.6 Å²	44.6	36%	0.357	22%	0.223	S	C	.	.	H	α-helix	trans	-64.8	-48.2	173.7	-74.5	170.1	-177.2	162.3	0	111.8	L609 E626 L627 E632 K633 M634	L609-K630 HydrophobicContact CD1-CB 3.81Å; L609-K630 HydrophobicContact CD1-CD 3.94Å; L609-K630 HydrophobicContact CD1-CG 4.49Å; E626-K630 HydrophobicContact CG-CD 4.4Å; E626-K630 WeakPolarHBondContact O-CB 3.35Å; E626-K630 WeakPolarHBondContact O-CG 3.17Å; E626-K630 PolarHBondContact O-N 3.12Å; E626-K630 WeakPolarHBondContact OE1-CE 3.27Å; E626-K630 IonicContact OE1-NZ 2.73Å; E626-K630 PolarHBondContact OE1-NZ 3.38Å; E626-K630 IonicContact OE2-NZ 2.86Å; E626-K630 PolarHBondContact OE2-NZ 3.05Å; L627-K630 PolarHBondContact O-N 2.65Å; K630-E632 PolarHBondContact O-N 3.46Å; K630-K633 PolarHBondContact O-N 3.39Å; K630-M634 VanDerWaalsContact O-CG 3.27Å; K630-M634 WeakPolarHBondContact O-CG 3.42Å; K630-M634 PolarHBondContact O-N 3.07Å
631	A	98	Very high	96.7	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.008	22%	0.223	C	C	.	.	H	α-helix	trans	-57.9	-46.9	178.2	0	0	0	0	0	111.7	L609 L627 C628 K633 M634 V635 L642 I665	L609-A631 HydrophobicContact CD2-CB 4.04Å; L627-A631 VanDerWaalsContact O-CB 3.24Å; L627-A631 WeakPolarHBondContact O-CB 3.32Å; L627-A631 PolarHBondContact O-N 3.13Å; C628-A631 PolarHBondContact O-N 3.38Å; A631-K633 PolarHBondContact O-N 3.44Å; A631-M634 PolarHBondContact O-N 3.05Å; A631-V635 WeakPolarHBondContact O-CG2 3.27Å; A631-V635 PolarHBondContact O-N 3.13Å; A631-L642 HydrophobicContact CB-CD2 3.66Å; A631-I665 HydrophobicContact CB-CD1 4.11Å; A631-I665 HydrophobicContact CB-CG1 4.04Å; A631-I665 HydrophobicContact CB-CG2 3.73Å
632	E	97.7	Very high	96.7	Very high	33 Å²	33	41.4 Å²	41.4	15%	0.154	21%	0.208	C	C	.	.	H	α-helix	trans	-56.8	-49.4	175.6	-171.1	-171.5	147.5	0	0	111.3	C628 K630 M634 V635 R636 R668 Q672 L674	C628-E632 WeakPolarHBondContact O-CB 3.13Å; C628-E632 PolarHBondContact O-N 2.91Å; K630-E632 PolarHBondContact O-N 3.46Å; E632-M634 VanDerWaalsContact C-N 3.34Å; E632-M634 PolarHBondContact O-N 2.94Å; E632-V635 PolarHBondContact O-N 3.4Å; E632-R636 WeakPolarHBondContact O-CB 3.37Å; E632-R636 WeakPolarHBondContact O-CG 3.4Å; E632-R636 PolarHBondContact O-N 3.15Å; E632-R636 IonicContact OE1-CZ 3.59Å; E632-R636 VanDerWaalsContact OE1-CZ 3.23Å; E632-R636 IonicContact OE1-NE 3.2Å; E632-R636 PolarHBondContact OE1-NE 3.13Å; E632-R636 IonicContact OE1-NH2 3.75Å; E632-R636 PolarHBondContact OE1-NH2 3.25Å; E632-R668 HydrophobicContact CB-CG 4.46Å; E632-R668 WeakPolarHBondContact OE2-CD 3.48Å; E632-R668 IonicContact OE2-CZ 3.06Å; E632-R668 IonicContact OE2-NH1 2.91Å; E632-R668 PolarHBondContact OE2-NH1 3.15Å; E632-Q672 HydrophobicContact CG-CG 4.47Å; E632-L674 HydrophobicContact CG-CD1 3.62Å
633	K	97.8	Very high	96.7	Very high	166 Å²	166	39.4 Å²	39.4	72%	0.722	19%	0.191	S	C	*	.	H	α-helix	trans	-61.5	-39.2	178.8	-175.5	178.8	178.7	-179.2	0	112.7	D629 K630 A631 S637	D629-K633 WeakPolarHBondContact O-CB 3.32Å; D629-K633 PolarHBondContact O-N 3.22Å; D629-K633 VanDerWaalsContact O-N 3.12Å; K630-K633 PolarHBondContact O-N 3.39Å; A631-K633 PolarHBondContact O-N 3.44Å; K633-S637 PolarHBondContact O-N 3.29Å; K633-S637 VanDerWaalsContact O-N 3.11Å
634	M	96.8	Very high	96.8	Very high	35 Å²	35	39.1 Å²	39.1	17%	0.172	19%	0.19	C	C	.	.	H	α-helix	trans	-65.1	-50.4	178	-71.5	167.6	73	0	0	110.9	D607 L609 K630 A631 E632 R636 S637 G638 T639 L642	D607-M634 HydrophobicContact CB-CE 3.46Å; D607-M634 VanDerWaalsContact CB-CE 3.46Å; L609-M634 HydrophobicContact CB-CE 4.33Å; L609-M634 HydrophobicContact CB-SD 4.24Å; L609-M634 HydrophobicContact CD1-SD 4.17Å; K630-M634 VanDerWaalsContact O-CG 3.27Å; K630-M634 WeakPolarHBondContact O-CG 3.42Å; K630-M634 PolarHBondContact O-N 3.07Å; A631-M634 PolarHBondContact O-N 3.05Å; E632-M634 VanDerWaalsContact C-N 3.34Å; E632-M634 PolarHBondContact O-N 2.94Å; M634-R636 PolarHBondContact O-N 3.01Å; M634-S637 CarbonylContact O-C 3.54Å; M634-S637 WeakPolarHBondContact O-CA 3.39Å; M634-S637 WeakPolarHBondContact O-CB 3.4Å; M634-S637 PolarHBondContact O-N 3.5Å; M634-S637 PolarHBondContact O-OG 2.73Å; M634-G638 PolarHBondContact O-N 3.29Å; M634-T639 WeakPolarHBondContact O-CB 3.44Å; M634-T639 PolarHBondContact O-N 2.82Å; M634-T639 PolarHBondContact O-OG1 3.26Å; M634-L642 HydrophobicContact CB-CD1 4.42Å; M634-L642 HydrophobicContact CE-CD1 3.77Å; M634-L642 HydrophobicContact SD-CD1 4.08Å
635	V	95.8	Very high	96.8	Very high	9 Å²	9	39.3 Å²	39.3	6%	0.055	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-42.7	177.9	178.2	0	0	0	0	111.6	A631 E632 S637 G638 L669 L674 A678	A631-V635 WeakPolarHBondContact O-CG2 3.27Å; A631-V635 PolarHBondContact O-N 3.13Å; E632-V635 PolarHBondContact O-N 3.4Å; V635-S637 PolarHBondContact O-N 3.04Å; V635-S637 VanDerWaalsContact O-N 3.16Å; V635-G638 PolarHBondContact O-N 2.97Å; V635-L669 HydrophobicContact CB-CD2 4.18Å; V635-L669 HydrophobicContact CG2-CD1 4.4Å; V635-L669 HydrophobicContact CG2-CD2 3.89Å; V635-L674 HydrophobicContact CG1-CB 3.95Å; V635-L674 HydrophobicContact CG1-CD1 4.5Å; V635-L674 HydrophobicContact CG1-CD2 4.36Å; V635-L674 HydrophobicContact CG1-CG 4.5Å; V635-A678 HydrophobicContact CB-CB 4.26Å; V635-A678 HydrophobicContact CG1-CB 3.68Å; V635-A678 HydrophobicContact CG2-CB 3.52Å
636	R	95.6	Very high	96.8	Very high	134 Å²	134	35 Å²	35	51%	0.506	17%	0.173	S	C	.	.	H	α-helix	trans	-60.7	-22.2	171.9	-69.5	-174.2	-167.4	-71.2	4.9	113.5	E632 M634 G638 Q672 L674	E632-R636 WeakPolarHBondContact O-CB 3.37Å; E632-R636 WeakPolarHBondContact O-CG 3.4Å; E632-R636 PolarHBondContact O-N 3.15Å; E632-R636 IonicContact OE1-CZ 3.59Å; E632-R636 VanDerWaalsContact OE1-CZ 3.23Å; E632-R636 IonicContact OE1-NE 3.2Å; E632-R636 PolarHBondContact OE1-NE 3.13Å; E632-R636 IonicContact OE1-NH2 3.75Å; E632-R636 PolarHBondContact OE1-NH2 3.25Å; M634-R636 PolarHBondContact O-N 3.01Å; R636-G638 VanDerWaalsContact C-N 3.31Å; R636-Q672 VanDerWaalsContact NH2-OE1 3.12Å; R636-L674 HydrophobicContact CG-CD1 3.79Å; R636-L674 HydrophobicContact CG-CD2 4Å
637	S	93.9	Very high	96.6	Very high	61 Å²	61	33 Å²	33	43%	0.427	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	2.3	173.6	86.3	0	0	0	0	114.4	R605 K633 M634 V635	R605-S637 PolarHBondContact NH1-O 2.87Å; K633-S637 PolarHBondContact O-N 3.29Å; K633-S637 VanDerWaalsContact O-N 3.11Å; M634-S637 CarbonylContact O-C 3.54Å; M634-S637 WeakPolarHBondContact O-CA 3.39Å; M634-S637 WeakPolarHBondContact O-CB 3.4Å; M634-S637 PolarHBondContact O-N 3.5Å; M634-S637 PolarHBondContact O-OG 2.73Å; V635-S637 PolarHBondContact O-N 3.04Å; V635-S637 VanDerWaalsContact O-N 3.16Å
638	G	92	Very high	96.5	Very high	24 Å²	24	36.9 Å²	36.9	25%	0.247	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.5	8	177.6	0	0	0	0	0	115.7	R566 M634 V635 R636 V640	R566-G638 PolarHBondContact NH2-O 3.38Å; M634-G638 PolarHBondContact O-N 3.29Å; V635-G638 PolarHBondContact O-N 2.97Å; R636-G638 VanDerWaalsContact C-N 3.31Å; G638-V640 PolarHBondContact O-N 3.32Å
639	T	94.1	Very high	96.4	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	18%	0.183	C	C	.	.			trans	-58	125.3	170	-57.6	0	0	0	0	110.1	D607 M634 L642	D607-T639 HydrophobicContact CB-CG2 3.84Å; D607-T639 VanDerWaalsContact OD2-CB 3.31Å; D607-T639 WeakPolarHBondContact OD2-CB 3.33Å; D607-T639 WeakPolarHBondContact OD2-CG2 3.31Å; D607-T639 PolarHBondContact OD2-OG1 2.95Å; M634-T639 WeakPolarHBondContact O-CB 3.44Å; M634-T639 PolarHBondContact O-N 2.82Å; M634-T639 PolarHBondContact O-OG1 3.26Å; T639-L642 HydrophobicContact CG2-CB 4.41Å
640	V	94.3	Very high	96.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-101.1	-39	175.5	-172.2	0	0	0	0	110.8	R566 R605 G638 A678 N679	R566-V640 HydrophobicContact CG-CG1 4.14Å; R566-V640 HydrophobicContact CG-CG2 4.3Å; R566-V640 VanDerWaalsContact NH2-CG2 3.35Å; R605-V640 PolarHBondContact O-N 3.5Å; G638-V640 PolarHBondContact O-N 3.32Å; V640-A678 CarbonylContact O-C 3.59Å; V640-A678 VanDerWaalsContact O-CA 3.24Å; V640-A678 WeakPolarHBondContact O-CA 3.44Å; V640-N679 PolarHBondContact O-N 3.06Å
641	L	95.5	Very high	95.8	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	100.4	176.3	-42.1	-176.5	0	0	0	108.9	I564 L596 R605 A606 D607 V643 N679 I681	I564-L641 HydrophobicContact CG2-CD2 3.23Å; L596-L641 WeakPolarHBondContact O-CD1 3.22Å; R605-L641 PolarHBondContact O-N 3.1Å; A606-L641 VanDerWaalsContact CA-O 3.32Å; A606-L641 WeakPolarHBondContact CA-O 3.42Å; A606-L641 HydrophobicContact CB-CB 3.87Å; A606-L641 HydrophobicContact CB-CD1 4.27Å; A606-L641 HydrophobicContact CB-CG 4.41Å; D607-L641 PolarHBondContact N-O 2.89Å; L641-V643 PolarHBondContact O-N 2.93Å; L641-N679 HydrophobicContact CD2-CB 4.35Å; L641-I681 HydrophobicContact CB-CG1 4.42Å
642	L	97.4	Very high	95.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	104.7	175.3	-178.6	66.4	0	0	0	108.6	L609 A631 M634 T639 L644 I665 L669 N679 I681	L609-L642 HydrophobicContact CB-CD1 4.16Å; A631-L642 HydrophobicContact CB-CD2 3.66Å; M634-L642 HydrophobicContact CB-CD1 4.42Å; M634-L642 HydrophobicContact CE-CD1 3.77Å; M634-L642 HydrophobicContact SD-CD1 4.08Å; T639-L642 HydrophobicContact CG2-CB 4.41Å; L642-L644 HydrophobicContact CD2-CD2 4.21Å; L642-L644 HydrophobicContact CG-CD2 4.04Å; L642-I665 HydrophobicContact CD2-CG2 3.85Å; L642-L669 HydrophobicContact CD2-CD1 4.44Å; L642-N679 PolarHBondContact N-O 2.86Å; L642-I681 PolarHBondContact O-N 3.12Å
643	V	98.2	Very high	95.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	111.9	-178	-173.7	0	0	0	0	109.5	F593 T597 D607 T608 L609 L641 I681	F593-V643 HydrophobicContact CE2-CG1 3.88Å; F593-V643 HydrophobicContact CZ-CG1 3.99Å; T597-V643 HydrophobicContact CG2-CG2 3.96Å; D607-V643 PolarHBondContact O-N 2.83Å; T608-V643 CarbonylContact C-O 3.59Å; T608-V643 WeakPolarHBondContact CA-O 3.38Å; T608-V643 HydrophobicContact CG2-CB 4.31Å; T608-V643 HydrophobicContact CG2-CG1 4.32Å; L609-V643 PolarHBondContact N-O 3.36Å; L641-V643 PolarHBondContact O-N 2.93Å; V643-I681 CarbonylContact C-O 3.58Å; V643-I681 WeakPolarHBondContact CA-O 3.18Å; V643-I681 HydrophobicContact CG2-CB 4.26Å
644	L	98.6	Very high	95.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	122	172.4	-50.6	-174.6	0	0	0	108.5	L609 I611 L642 V662 I665 I680 I681 E683	L609-L644 HydrophobicContact CB-CD2 4.03Å; L609-L644 HydrophobicContact CD2-CD2 3.93Å; L609-L644 HydrophobicContact CG-CD2 4.36Å; L609-L644 WeakPolarHBondContact O-CA 3.5Å; I611-L644 HydrophobicContact CD1-CB 4.37Å; I611-L644 HydrophobicContact CG2-CB 4.08Å; I611-L644 HydrophobicContact CG2-CD2 4.34Å; L642-L644 HydrophobicContact CD2-CD2 4.21Å; L642-L644 HydrophobicContact CG-CD2 4.04Å; L644-V662 HydrophobicContact CD1-CG2 3.84Å; L644-I665 HydrophobicContact CD1-CD1 3.97Å; L644-I665 HydrophobicContact CD2-CD1 3.69Å; L644-I680 HydrophobicContact CD1-CG2 3.79Å; L644-I680 HydrophobicContact CG-CG2 4.1Å; L644-I681 PolarHBondContact N-O 3.32Å; L644-E683 PolarHBondContact O-N 2.73Å
645	S	98.5	Very high	95.3	Very high	6 Å²	6	35.3 Å²	35.3	4%	0.042	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.3	-178.6	-179.1	0	0	0	0	112.6	L609 I611 R647 E683	L609-S645 PolarHBondContact O-N 2.75Å; I611-S645 VanDerWaalsContact CG1-O 3.26Å; I611-S645 WeakPolarHBondContact CG1-O 3.44Å; I611-S645 PolarHBondContact N-O 3.11Å; S645-R647 WeakPolarHBondContact OG-CB 3.41Å; S645-R647 PolarHBondContact OG-N 2.74Å; S645-E683 WeakPolarHBondContact CA-O 3.24Å; S645-E683 WeakPolarHBondContact CB-OE2 3.24Å; S645-E683 PolarHBondContact OG-OE2 3.37Å
646	D	97.6	Very high	95.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.174	C	C	.	.			trans	-93.3	9.5	173.7	65.2	24.2	0	0	0	113.7	F492 I611 N648 P655 E683 T684 A685	F492-D646 HydrophobicContact CE1-CB 4.34Å; F492-D646 WeakPolarHBondContact CE1-OD2 3.32Å; F492-D646 HydrophobicContact CZ-CB 4.1Å; I611-D646 HydrophobicContact CD1-CB 3.99Å; I611-D646 HydrophobicContact CG1-CB 3.88Å; D646-N648 VanDerWaalsContact C-N 3.34Å; D646-N648 PolarHBondContact O-N 3.09Å; D646-P655 HydrophobicContact CB-CB 4.19Å; D646-E683 PolarHBondContact N-O 2.88Å; D646-T684 WeakPolarHBondContact OD1-CA 3.38Å; D646-T684 WeakPolarHBondContact OD2-CA 3.24Å; D646-T684 VanDerWaalsContact OD2-CB 3.29Å; D646-T684 WeakPolarHBondContact OD2-CB 3.02Å; D646-T684 PolarHBondContact OD2-OG1 3.49Å; D646-A685 PolarHBondContact OD1-N 3.33Å; D646-A685 PolarHBondContact OD2-N 3.24Å
647	R	95.6	Very high	95.6	Very high	46 Å²	46	29.6 Å²	29.6	17%	0.174	16%	0.157	C	C	.	.			trans	-65.5	-27.4	-170.6	-171.2	-176.5	-83.1	-114.8	13.5	114.7	E479 Y488 S645 I649 E683 Y707	E479-R647 IonicContact OE2-CZ 2.81Å; E479-R647 IonicContact OE2-NH1 3.83Å; E479-R647 PolarHBondContact OE2-NH1 3.4Å; E479-R647 IonicContact OE2-NH2 3.87Å; Y488-R647 WeakPolarHBondContact CE1-O 3.39Å; Y488-R647 PolarHBondContact OH-O 3.02Å; Y488-R647 VanDerWaalsContact OH-O 3.06Å; S645-R647 WeakPolarHBondContact OG-CB 3.41Å; S645-R647 PolarHBondContact OG-N 2.74Å; R647-I649 VanDerWaalsContact C-N 3.3Å; R647-I649 PolarHBondContact O-N 2.93Å; R647-E683 IonicContact CZ-OE1 3.19Å; R647-E683 IonicContact NE-OE1 3.64Å; R647-E683 PolarHBondContact NE-OE1 2.86Å; R647-E683 IonicContact NE-OE2 3.49Å; R647-E683 IonicContact NH2-OE1 2.91Å; R647-E683 PolarHBondContact NH2-OE1 2.83Å; R647-Y707 WeakPolarHBondContact CA-OH 3.41Å; R647-Y707 HydrophobicContact CB-CE1 4.14Å; R647-Y707 HydrophobicContact CG-CE1 4.37Å; R647-Y707 HydrophobicContact CG-CE2 4.28Å
648	N	95.3	Very high	95.8	Very high	85 Å²	85	26.7 Å²	26.7	46%	0.455	14%	0.138	S	C	.	.			trans	-84.5	43.1	-169.1	-69.2	-22.7	0	0	0	115.2	D610 T612 D646 R653	D610-N648 PolarHBondContact OD2-ND2 3.44Å; T612-N648 HydrophobicContact CG2-CB 4.39Å; D646-N648 VanDerWaalsContact C-N 3.34Å; D646-N648 PolarHBondContact O-N 3.09Å; N648-R653 WeakPolarHBondContact O-CD 3.26Å
649	I	95.5	Very high	96.1	Very high	11 Å²	11	25.6 Å²	25.6	6%	0.056	13%	0.126	C	C	.	.			trans	-77.6	149	-178.4	61.7	159.5	0	0	0	113.7	Y488 Q491 F492 T612 R647 P655 W803	Y488-I649 HydrophobicContact CD1-CD1 3.84Å; Y488-I649 HydrophobicContact CD1-CG1 4Å; Y488-I649 HydrophobicContact CD2-CD1 3.85Å; Y488-I649 HydrophobicContact CD2-CG1 4.21Å; Y488-I649 HydrophobicContact CE1-CD1 3.94Å; Y488-I649 HydrophobicContact CE1-CG1 3.55Å; Y488-I649 HydrophobicContact CE2-CD1 3.94Å; Y488-I649 HydrophobicContact CE2-CG1 3.77Å; Y488-I649 HydrophobicContact CG-CD1 3.81Å; Y488-I649 HydrophobicContact CG-CG1 4.32Å; Y488-I649 VanDerWaalsContact CZ-CG1 3.42Å; Q491-I649 HydrophobicContact CB-CD1 3.84Å; Q491-I649 HydrophobicContact CG-CD1 3.76Å; F492-I649 HydrophobicContact CD2-CD1 4.46Å; F492-I649 HydrophobicContact CE2-CD1 3.94Å; F492-I649 HydrophobicContact CE2-CG2 4.21Å; F492-I649 HydrophobicContact CZ-CG2 4.24Å; T612-I649 HydrophobicContact CG2-CG2 4.11Å; R647-I649 VanDerWaalsContact C-N 3.3Å; R647-I649 PolarHBondContact O-N 2.93Å; I649-P655 HydrophobicContact CG2-CB 3.92Å; I649-P655 HydrophobicContact CG2-CG 4.02Å; I649-W803 HydrophobicContact CD1-CZ2 4.32Å
650	A	93.1	Very high	96.3	Very high	32 Å²	32	25.5 Å²	25.5	26%	0.264	13%	0.125	S	C	.	.			trans	-146.4	-175.6	175.1	0	0	0	0	0	111	D652 R653 W803	A650-D652 VanDerWaalsContact C-N 3.31Å; A650-D652 PolarHBondContact O-N 3.26Å; A650-R653 HydrophobicContact CB-CB 3.82Å; A650-R653 PolarHBondContact N-O 3.43Å; A650-R653 PolarHBondContact O-N 3Å; A650-R653 VanDerWaalsContact O-O 3.06Å; A650-W803 WeakPolarHBondContact O-CZ2 3.38Å; A650-W803 PolarHBondContact O-NE1 3.42Å
651	K	89.9	Confident	96.4	Very high	148 Å²	148	25.6 Å²	25.6	64%	0.643	13%	0.126	S	C	*	.	S	Bend	trans	-60.8	-40	-178.6	-76.2	175.1	177.2	173.2	0	113.3	S799 W803	K651-S799 PolarHBondContact O-OG 2.92Å; K651-W803 HydrophobicContact CB-CG 4.49Å; K651-W803 HydrophobicContact CD-CB 4.48Å; K651-W803 HydrophobicContact CG-CB 3.97Å; K651-W803 HydrophobicContact CG-CD2 3.67Å; K651-W803 HydrophobicContact CG-CE3 4.19Å; K651-W803 HydrophobicContact CG-CG 3.53Å
652	D	91	Very high	96.6	Very high	85 Å²	85	25.5 Å²	25.5	46%	0.455	13%	0.126	S	C	.	.	S	Bend	trans	-98.8	-10.2	179.7	53	-20.2	0	0	0	113.2	V615 A650	V615-D652 PolarHBondContact N-O 2.94Å; A650-D652 VanDerWaalsContact C-N 3.31Å; A650-D652 PolarHBondContact O-N 3.26Å
653	R	96.1	Very high	96.6	Very high	92 Å²	92	25.6 Å²	25.6	35%	0.347	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	104	-172.3	-165.8	170.5	-178.9	167.5	-0.8	111.7	D610 T612 F613 N648 A650	D610-R653 VanDerWaalsContact CG-NH2 3.28Å; D610-R653 IonicContact OD1-NH2 3.71Å; D610-R653 IonicContact OD2-CZ 2.7Å; D610-R653 IonicContact OD2-NH2 3.57Å; D610-R653 PolarHBondContact OD2-NH2 3.34Å; T612-R653 PolarHBondContact OG1-NE 2.84Å; T612-R653 PolarHBondContact OG1-NH2 2.95Å; F613-R653 CarbonylContact O-C 3.55Å; F613-R653 VanDerWaalsContact O-CA 3.28Å; F613-R653 WeakPolarHBondContact O-CA 3.45Å; N648-R653 WeakPolarHBondContact O-CD 3.26Å; A650-R653 HydrophobicContact CB-CB 3.82Å; A650-R653 PolarHBondContact N-O 3.43Å; A650-R653 PolarHBondContact O-N 3Å; A650-R653 VanDerWaalsContact O-O 3.06Å
654	L	97.1	Very high	96.6	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	148.9	-173	-56.2	179.1	0	0	0	111.2	T612 F613 V615 L795 L796	T612-L654 CarbonylContact C-O 3.38Å; T612-L654 VanDerWaalsContact CA-O 3.28Å; T612-L654 WeakPolarHBondContact CA-O 3.19Å; T612-L654 WeakPolarHBondContact CB-O 3.36Å; F613-L654 HydrophobicContact CD1-CB 4.33Å; F613-L654 WeakPolarHBondContact CD1-O 3.4Å; F613-L654 HydrophobicContact CE1-CB 3.83Å; F613-L654 HydrophobicContact CZ-CB 4.11Å; F613-L654 HydrophobicContact CZ-CD1 4.28Å; F613-L654 PolarHBondContact N-O 3.11Å; F613-L654 PolarHBondContact O-N 3.33Å; V615-L654 HydrophobicContact CB-CD1 3.91Å; V615-L654 HydrophobicContact CB-CG 4.38Å; V615-L654 HydrophobicContact CG1-CD1 4.26Å; V615-L654 HydrophobicContact CG2-CD1 3.96Å; L654-L795 HydrophobicContact CD1-CB 4.08Å; L654-L796 HydrophobicContact CD1-CD2 4.1Å; L654-L796 HydrophobicContact CD1-CG 3.96Å
655	P	97.4	Very high	96.5	Very high	4 Å²	4	25.9 Å²	25.9	3%	0.026	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	139.3	172.5	31.4	-32.5	0	0	0	110.9	Q491 F492 D646 I649 L795	Q491-P655 HydrophobicContact CG-CG 4.37Å; F492-P655 HydrophobicContact CD1-CG 4.49Å; F492-P655 HydrophobicContact CE1-CB 3.77Å; F492-P655 HydrophobicContact CE1-CG 3.8Å; F492-P655 HydrophobicContact CE2-CG 4.38Å; F492-P655 HydrophobicContact CZ-CB 3.63Å; F492-P655 HydrophobicContact CZ-CG 3.74Å; D646-P655 HydrophobicContact CB-CB 4.19Å; I649-P655 HydrophobicContact CG2-CB 3.92Å; I649-P655 HydrophobicContact CG2-CG 4.02Å; P655-L795 HydrophobicContact CG-CD2 4.3Å; P655-L795 WeakPolarHBondContact O-CD1 3.33Å
656	V	98.2	Very high	96.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-72.4	133.6	162.5	178	0	0	0	0	107.6	I611 F613 L620 T623 V624 L627 A658 A661	I611-V656 HydrophobicContact CB-CB 4.42Å; I611-V656 VanDerWaalsContact O-CB 3.29Å; I611-V656 WeakPolarHBondContact O-CB 3.4Å; I611-V656 WeakPolarHBondContact O-CG2 3.43Å; I611-V656 PolarHBondContact O-N 2.85Å; F613-V656 HydrophobicContact CD1-CG2 3.78Å; F613-V656 HydrophobicContact CE1-CG2 4.33Å; L620-V656 HydrophobicContact CD1-CB 4.28Å; L620-V656 HydrophobicContact CD1-CG1 3.99Å; L620-V656 HydrophobicContact CD1-CG2 4.07Å; T623-V656 HydrophobicContact CG2-CG2 3.7Å; V624-V656 HydrophobicContact CG2-CG1 3.9Å; L627-V656 HydrophobicContact CD1-CG1 4.45Å; L627-V656 HydrophobicContact CD1-CG2 4.07Å; V656-A658 PolarHBondContact O-N 3.27Å; V656-A658 VanDerWaalsContact O-N 3.09Å; V656-A661 HydrophobicContact CG1-CB 4.15Å
657	P	97.9	Very high	96.3	Very high	23 Å²	23	26.4 Å²	26.4	15%	0.149	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-57.6	118.4	176.1	-24.4	35	0	0	0	110.8	I533 P659 M660 A661 L795	I533-P657 HydrophobicContact CB-CB 4.43Å; I533-P657 HydrophobicContact CD1-CB 4.42Å; I533-P657 HydrophobicContact CG2-CB 3.95Å; P657-P659 VanDerWaalsContact C-CD 3.46Å; P657-P659 VanDerWaalsContact C-N 3.32Å; P657-P659 VanDerWaalsContact O-N 3.12Å; P657-M660 HydrophobicContact CB-CG 4.2Å; P657-M660 HydrophobicContact CB-SD 4.21Å; P657-M660 HydrophobicContact CG-SD 3.92Å; P657-M660 WeakPolarHBondContact O-CB 3.47Å; P657-M660 PolarHBondContact O-N 3.45Å; P657-A661 PolarHBondContact O-N 2.9Å; P657-L795 HydrophobicContact CG-CD1 4.34Å
658	A	98.2	Very high	96.4	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.008	14%	0.135	C	C	.	.	H	α-helix	trans	-52	-39.2	-170	0	0	0	0	0	114.7	I611 V656 M660 A661 V662 V682 L696	I611-A658 HydrophobicContact CD1-CB 4.26Å; V656-A658 PolarHBondContact O-N 3.27Å; V656-A658 VanDerWaalsContact O-N 3.09Å; A658-M660 VanDerWaalsContact C-N 3.34Å; A658-M660 PolarHBondContact O-N 3.07Å; A658-A661 PolarHBondContact O-N 3.16Å; A658-V662 WeakPolarHBondContact O-CG2 3.41Å; A658-V662 PolarHBondContact O-N 2.95Å; A658-V682 HydrophobicContact CB-CG1 4.33Å; A658-L696 HydrophobicContact CB-CD2 3.99Å
659	P	98.1	Very high	96.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.2	-37.9	173.8	-28.5	39	0	0	0	114.3	I533 Y534 P657 V662 G663 V695 L696 F776	I533-P659 HydrophobicContact CG2-CB 4.18Å; I533-P659 HydrophobicContact CG2-CG 3.75Å; Y534-P659 HydrophobicContact CD1-CG 3.92Å; Y534-P659 HydrophobicContact CE1-CG 3.29Å; Y534-P659 HydrophobicContact CE2-CG 4.46Å; P657-P659 VanDerWaalsContact C-CD 3.46Å; P657-P659 VanDerWaalsContact C-N 3.32Å; P657-P659 VanDerWaalsContact O-N 3.12Å; P659-V662 PolarHBondContact O-N 2.82Å; P659-G663 PolarHBondContact O-N 2.95Å; P659-V695 HydrophobicContact CB-CG1 4.07Å; P659-V695 HydrophobicContact CG-CG1 4.06Å; P659-L696 HydrophobicContact CB-CD2 4.49Å; P659-L696 HydrophobicContact CG-CD2 3.93Å; P659-F776 HydrophobicContact CB-CE1 3.91Å; P659-F776 HydrophobicContact CB-CZ 4.03Å; P659-F776 VanDerWaalsContact O-CE1 3.32Å; P659-F776 WeakPolarHBondContact O-CE1 3.38Å
660	M	98.2	Very high	96.3	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.8	-46.9	177.6	-69	-177.2	166.6	0	0	111	I533 L620 V624 P657 A658 A664 V771 C775 F776 F788 F791	I533-M660 HydrophobicContact CD1-CE 3.54Å; I533-M660 HydrophobicContact CD1-CG 3.49Å; I533-M660 VanDerWaalsContact CD1-CG 3.49Å; I533-M660 HydrophobicContact CD1-SD 4.16Å; L620-M660 HydrophobicContact CD2-CE 4.47Å; L620-M660 HydrophobicContact CD2-SD 4.05Å; V624-M660 HydrophobicContact CG2-CB 4.46Å; P657-M660 HydrophobicContact CB-CG 4.2Å; P657-M660 HydrophobicContact CB-SD 4.21Å; P657-M660 HydrophobicContact CG-SD 3.92Å; P657-M660 WeakPolarHBondContact O-CB 3.47Å; P657-M660 PolarHBondContact O-N 3.45Å; A658-M660 VanDerWaalsContact C-N 3.34Å; A658-M660 PolarHBondContact O-N 3.07Å; M660-A664 VanDerWaalsContact O-CB 3.25Å; M660-A664 WeakPolarHBondContact O-CB 3.37Å; M660-A664 PolarHBondContact O-N 2.78Å; M660-A664 VanDerWaalsContact O-N 3.14Å; M660-V771 HydrophobicContact CE-CG1 3.82Å; M660-V771 HydrophobicContact CE-CG2 4.35Å; M660-C775 HydrophobicContact CB-CB 4.31Å; M660-C775 HydrophobicContact CG-CB 4.45Å; M660-F776 HydrophobicContact CB-CZ 4.47Å; M660-F776 HydrophobicContact CG-CE2 4.21Å; M660-F776 HydrophobicContact CG-CZ 3.97Å; M660-F788 HydrophobicContact CE-CD1 4.14Å; M660-F788 HydrophobicContact CE-CE1 4.16Å; M660-F788 HydrophobicContact SD-CD1 4.11Å; M660-F788 HydrophobicContact SD-CE1 3.89Å; M660-F791 HydrophobicContact CE-CB 4.23Å; M660-F791 HydrophobicContact CE-CD2 3.42Å; M660-F791 VanDerWaalsContact CE-CD2 3.42Å; M660-F791 HydrophobicContact CE-CE2 3.88Å; M660-F791 HydrophobicContact CE-CG 3.81Å
661	A	98.1	Very high	96.3	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.008	12%	0.119	C	C	.	.	H	α-helix	trans	-64.6	-46.2	178.4	0	0	0	0	0	111.7	I611 L627 V656 P657 A658 I665	I611-A661 HydrophobicContact CB-CB 4.48Å; I611-A661 HydrophobicContact CD1-CB 4.33Å; I611-A661 HydrophobicContact CG2-CB 4.08Å; L627-A661 HydrophobicContact CD1-CB 4.48Å; V656-A661 HydrophobicContact CG1-CB 4.15Å; P657-A661 PolarHBondContact O-N 2.9Å; A658-A661 PolarHBondContact O-N 3.16Å; A661-I665 VanDerWaalsContact O-CB 3.26Å; A661-I665 WeakPolarHBondContact O-CB 3.4Å; A661-I665 WeakPolarHBondContact O-CD1 3.37Å; A661-I665 WeakPolarHBondContact O-CG1 3.5Å; A661-I665 PolarHBondContact O-N 2.85Å
662	V	98.4	Very high	96.5	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	11%	0.106	C	C	.	.	H	α-helix	trans	-60	-52.4	179.6	169	0	0	0	0	111.5	L644 A658 P659 I665 Q666 V682 L696 F699 A701	L644-V662 HydrophobicContact CD1-CG2 3.84Å; A658-V662 WeakPolarHBondContact O-CG2 3.41Å; A658-V662 PolarHBondContact O-N 2.95Å; P659-V662 PolarHBondContact O-N 2.82Å; V662-I665 PolarHBondContact O-N 3Å; V662-Q666 WeakPolarHBondContact O-CB 3.49Å; V662-Q666 PolarHBondContact O-N 3.28Å; V662-V682 HydrophobicContact CG2-CG2 3.59Å; V662-L696 HydrophobicContact CG2-CD2 3.98Å; V662-F699 HydrophobicContact CG1-CB 4.42Å; V662-A701 HydrophobicContact CG1-CB 4.21Å
663	G	97.2	Very high	96.5	Very high	2 Å²	2	20 Å²	20	2%	0.021	10%	0.1	C	C	.	.	H	α-helix	trans	-70.7	-36.2	-174.3	0	0	0	0	0	113.8	P659 T667 C775	P659-G663 PolarHBondContact O-N 2.95Å; G663-T667 WeakPolarHBondContact O-CB 3.36Å; G663-T667 PolarHBondContact O-N 3.39Å; G663-T667 PolarHBondContact O-OG1 2.96Å; G663-C775 CarbonylContact C-O 3.57Å; G663-C775 WeakPolarHBondContact CA-O 3.25Å
664	A	98	Very high	96.5	Very high	4 Å²	4	16.4 Å²	16.4	3%	0.033	9%	0.087	C	C	.	.	H	α-helix	trans	-66.4	-46.3	174.1	0	0	0	0	0	111.8	V624 C628 M660 T667 R668 C775	V624-A664 HydrophobicContact CG1-CB 3.54Å; C628-A664 VanDerWaalsContact SG-C 3.58Å; M660-A664 VanDerWaalsContact O-CB 3.25Å; M660-A664 WeakPolarHBondContact O-CB 3.37Å; M660-A664 PolarHBondContact O-N 2.78Å; M660-A664 VanDerWaalsContact O-N 3.14Å; A664-T667 PolarHBondContact O-N 2.56Å; A664-R668 PolarHBondContact O-N 3.32Å; A664-C775 PolarHBondContact N-O 3.28Å
665	I	98.2	Very high	96.4	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-65.4	-42.8	177.2	-69.1	169.8	0	0	0	110.8	L609 L627 A631 L642 L644 A661 V662 T667 R668 L669 I680	L609-I665 HydrophobicContact CD2-CD1 3.99Å; L627-I665 HydrophobicContact CB-CD1 4.43Å; A631-I665 HydrophobicContact CB-CD1 4.11Å; A631-I665 HydrophobicContact CB-CG1 4.04Å; A631-I665 HydrophobicContact CB-CG2 3.73Å; L642-I665 HydrophobicContact CD2-CG2 3.85Å; L644-I665 HydrophobicContact CD1-CD1 3.97Å; L644-I665 HydrophobicContact CD2-CD1 3.69Å; A661-I665 VanDerWaalsContact O-CB 3.26Å; A661-I665 WeakPolarHBondContact O-CB 3.4Å; A661-I665 WeakPolarHBondContact O-CD1 3.37Å; A661-I665 WeakPolarHBondContact O-CG1 3.5Å; A661-I665 PolarHBondContact O-N 2.85Å; V662-I665 PolarHBondContact O-N 3Å; I665-T667 VanDerWaalsContact C-N 3.32Å; I665-T667 PolarHBondContact O-N 3.22Å; I665-R668 PolarHBondContact O-N 3.41Å; I665-L669 HydrophobicContact CG2-CD1 3.76Å; I665-L669 HydrophobicContact CG2-CG 4.13Å; I665-L669 WeakPolarHBondContact O-CB 3.28Å; I665-L669 VanDerWaalsContact O-CG 3.29Å; I665-L669 WeakPolarHBondContact O-CG 3.37Å; I665-L669 PolarHBondContact O-N 2.81Å; I665-I680 HydrophobicContact CG2-CD1 4.21Å
666	Q	96.8	Very high	96.2	Very high	3 Å²	3	16.3 Å²	16.3	1%	0.014	9%	0.086	C	C	.	.	H	α-helix	trans	-53.7	-50.4	174	172.1	65.7	22.2	0	0	110.9	V662 L669 V670 I680 F699 C758	V662-Q666 WeakPolarHBondContact O-CB 3.49Å; V662-Q666 PolarHBondContact O-N 3.28Å; Q666-L669 PolarHBondContact O-N 3.3Å; Q666-V670 WeakPolarHBondContact O-CG2 3.4Å; Q666-V670 PolarHBondContact O-N 2.61Å; Q666-I680 HydrophobicContact CB-CD1 4.27Å; Q666-F699 VanDerWaalsContact CB-O 3.3Å; Q666-F699 WeakPolarHBondContact CB-O 3.47Å; Q666-F699 WeakPolarHBondContact CG-O 3.31Å; Q666-C758 PolarHBondContact NE2-SG 2.74Å
667	T	95	Very high	96	Very high	15 Å²	15	18 Å²	18	9%	0.092	10%	0.095	C	C	.	.	H	α-helix	trans	-62.5	-49.4	-178.7	-56.1	0	0	0	0	110.7	G663 A664 I665 L669 V670 D671 Q777	G663-T667 WeakPolarHBondContact O-CB 3.36Å; G663-T667 PolarHBondContact O-N 3.39Å; G663-T667 PolarHBondContact O-OG1 2.96Å; A664-T667 PolarHBondContact O-N 2.56Å; I665-T667 VanDerWaalsContact C-N 3.32Å; I665-T667 PolarHBondContact O-N 3.22Å; T667-L669 PolarHBondContact O-N 2.79Å; T667-V670 PolarHBondContact O-N 3.02Å; T667-D671 VanDerWaalsContact O-CG 3.3Å; T667-D671 PolarHBondContact O-N 3.13Å; T667-Q777 HydrophobicContact CG2-CB 4.34Å
668	R	96.2	Very high	95.8	Very high	68 Å²	68	16.9 Å²	16.9	26%	0.257	9%	0.088	S	C	.	.	H	α-helix	trans	-56.4	-45.7	175.9	178.1	64.5	78.4	87.9	10.6	112.6	C628 D629 E632 A664 I665 V670 D671 Q672	C628-R668 HydrophobicContact CB-CB 4.15Å; C628-R668 HydrophobicContact CB-CG 4.17Å; D629-R668 IonicContact OD1-CZ 2.69Å; D629-R668 IonicContact OD1-NH1 3.14Å; D629-R668 PolarHBondContact OD1-NH1 3.49Å; D629-R668 IonicContact OD1-NH2 3.3Å; D629-R668 PolarHBondContact OD1-NH2 3.46Å; E632-R668 HydrophobicContact CB-CG 4.46Å; E632-R668 WeakPolarHBondContact OE2-CD 3.48Å; E632-R668 IonicContact OE2-CZ 3.06Å; E632-R668 IonicContact OE2-NH1 2.91Å; E632-R668 PolarHBondContact OE2-NH1 3.15Å; A664-R668 PolarHBondContact O-N 3.32Å; I665-R668 PolarHBondContact O-N 3.41Å; R668-V670 VanDerWaalsContact C-N 3.34Å; R668-V670 PolarHBondContact O-N 3.39Å; R668-D671 PolarHBondContact O-N 2.7Å; R668-Q672 HydrophobicContact CG-CG 4.37Å; R668-Q672 VanDerWaalsContact O-CB 3.31Å; R668-Q672 WeakPolarHBondContact O-CB 3.49Å; R668-Q672 VanDerWaalsContact O-CG 3.31Å; R668-Q672 WeakPolarHBondContact O-CG 3.04Å; R668-Q672 PolarHBondContact O-N 2.76Å
669	L	96.1	Very high	95.7	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-69	-30.7	-178.7	-69.3	177.7	0	0	0	112.7	V635 L642 I665 Q666 T667 S673 L674 R675 I680	V635-L669 HydrophobicContact CB-CD2 4.18Å; V635-L669 HydrophobicContact CG2-CD1 4.4Å; V635-L669 HydrophobicContact CG2-CD2 3.89Å; L642-L669 HydrophobicContact CD2-CD1 4.44Å; I665-L669 HydrophobicContact CG2-CD1 3.76Å; I665-L669 HydrophobicContact CG2-CG 4.13Å; I665-L669 WeakPolarHBondContact O-CB 3.28Å; I665-L669 VanDerWaalsContact O-CG 3.29Å; I665-L669 WeakPolarHBondContact O-CG 3.37Å; I665-L669 PolarHBondContact O-N 2.81Å; Q666-L669 PolarHBondContact O-N 3.3Å; T667-L669 PolarHBondContact O-N 2.79Å; L669-S673 PolarHBondContact O-N 2.69Å; L669-L674 HydrophobicContact CD2-CB 3.83Å; L669-L674 HydrophobicContact CD2-CD1 4.09Å; L669-L674 CarbonylContact O-C 3.56Å; L669-L674 WeakPolarHBondContact O-CA 3.49Å; L669-L674 PolarHBondContact O-N 2.99Å; L669-R675 HydrophobicContact CB-CB 3.91Å; L669-R675 PolarHBondContact O-N 3.34Å; L669-I680 HydrophobicContact CD1-CD1 4.44Å
670	V	93.7	Very high	95.7	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.012	9%	0.092	C	C	.	.	H	α-helix	trans	-69.7	-50.4	172.7	169.3	0	0	0	0	110.3	Q280 R283 A284 Q666 T667 R668 Q672 S673 R675	Q280-V670 HydrophobicContact CG-CG1 4.17Å; Q280-V670 HydrophobicContact CG-CG2 4.2Å; R283-V670 HydrophobicContact CG-CG1 4.38Å; A284-V670 HydrophobicContact CB-CG1 4.21Å; A284-V670 HydrophobicContact CB-CG2 4.15Å; Q666-V670 WeakPolarHBondContact O-CG2 3.4Å; Q666-V670 PolarHBondContact O-N 2.61Å; T667-V670 PolarHBondContact O-N 3.02Å; R668-V670 VanDerWaalsContact C-N 3.34Å; R668-V670 PolarHBondContact O-N 3.39Å; V670-Q672 VanDerWaalsContact C-N 3.28Å; V670-Q672 PolarHBondContact O-N 2.87Å; V670-S673 PolarHBondContact O-N 3.08Å; V670-R675 HydrophobicContact CG2-CB 3.83Å; V670-R675 HydrophobicContact CG2-CG 4.01Å
671	D	92.4	Very high	95.7	Very high	77 Å²	77	17.7 Å²	17.7	41%	0.412	9%	0.092	S	C	.	.	H	α-helix	trans	-67.7	-29.6	-174.5	-63.3	-12.3	0	0	0	112.6	R283 T667 R668 S673	R283-D671 IonicContact CZ-OD1 3.01Å; R283-D671 IonicContact NE-OD1 2.71Å; R283-D671 IonicContact NH2-OD1 2.68Å; R283-D671 PolarHBondContact NH2-OD1 3.48Å; T667-D671 VanDerWaalsContact O-CG 3.3Å; T667-D671 PolarHBondContact O-N 3.13Å; R668-D671 PolarHBondContact O-N 2.7Å; D671-S673 VanDerWaalsContact C-N 3.32Å
672	Q	93.9	Very high	95.7	Very high	79 Å²	79	17.6 Å²	17.6	37%	0.369	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	5.5	174.5	-64.3	-57	-47.2	0	0	114.3	E632 R636 R668 V670 L674	E632-Q672 HydrophobicContact CG-CG 4.47Å; R636-Q672 VanDerWaalsContact NH2-OE1 3.12Å; R668-Q672 HydrophobicContact CG-CG 4.37Å; R668-Q672 VanDerWaalsContact O-CB 3.31Å; R668-Q672 WeakPolarHBondContact O-CB 3.49Å; R668-Q672 VanDerWaalsContact O-CG 3.31Å; R668-Q672 WeakPolarHBondContact O-CG 3.04Å; R668-Q672 PolarHBondContact O-N 2.76Å; V670-Q672 VanDerWaalsContact C-N 3.28Å; V670-Q672 PolarHBondContact O-N 2.87Å; Q672-L674 HydrophobicContact CB-CD1 4.1Å; Q672-L674 HydrophobicContact CB-CG 4.25Å; Q672-L674 PolarHBondContact O-N 2.89Å
673	S	92.3	Very high	95.7	Very high	46 Å²	46	18.3 Å²	18.3	32%	0.322	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	46.8	-178.4	-62	0	0	0	0	113.5	Y287 L669 V670 D671	Y287-S673 WeakPolarHBondContact CE1-O 3.05Å; Y287-S673 PolarHBondContact OH-O 3.05Å; L669-S673 PolarHBondContact O-N 2.69Å; V670-S673 PolarHBondContact O-N 3.08Å; D671-S673 VanDerWaalsContact C-N 3.32Å
674	L	95.1	Very high	95.8	Very high	15 Å²	15	18.2 Å²	18.2	8%	0.079	9%	0.094	C	C	.	.			trans	-121.9	-17.2	-179.7	-65.9	175.6	0	0	0	113.7	E632 V635 R636 L669 Q672 C676 D677	E632-L674 HydrophobicContact CG-CD1 3.62Å; V635-L674 HydrophobicContact CG1-CB 3.95Å; V635-L674 HydrophobicContact CG1-CD1 4.5Å; V635-L674 HydrophobicContact CG1-CD2 4.36Å; V635-L674 HydrophobicContact CG1-CG 4.5Å; R636-L674 HydrophobicContact CG-CD1 3.79Å; R636-L674 HydrophobicContact CG-CD2 4Å; L669-L674 HydrophobicContact CD2-CB 3.83Å; L669-L674 HydrophobicContact CD2-CD1 4.09Å; L669-L674 CarbonylContact O-C 3.56Å; L669-L674 WeakPolarHBondContact O-CA 3.49Å; L669-L674 PolarHBondContact O-N 2.99Å; Q672-L674 HydrophobicContact CB-CD1 4.1Å; Q672-L674 HydrophobicContact CB-CG 4.25Å; Q672-L674 PolarHBondContact O-N 2.89Å; L674-C676 PolarHBondContact O-N 3.23Å; L674-D677 PolarHBondContact O-N 2.59Å
675	R	95	Very high	95.8	Very high	2 Å²	2	18 Å²	18	1%	0.008	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-24	-171.7	-174.8	53.5	-179.2	82.9	-0.9	114.5	W281 L669 V670 D677 A678 G700 T702	W281-R675 HydrophobicContact CH2-CG 4.48Å; W281-R675 HydrophobicContact CZ3-CG 4.36Å; L669-R675 HydrophobicContact CB-CB 3.91Å; L669-R675 PolarHBondContact O-N 3.34Å; V670-R675 HydrophobicContact CG2-CB 3.83Å; V670-R675 HydrophobicContact CG2-CG 4.01Å; R675-D677 VanDerWaalsContact C-N 3.29Å; R675-A678 PolarHBondContact NH1-O 2.86Å; R675-G700 PolarHBondContact NH2-O 2.95Å; R675-T702 PolarHBondContact NH2-OG1 3.49Å
676	C	93.9	Very high	95.7	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.014	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-9	174.4	-71.2	0	0	0	0	113.2	Y287 K288 E567 L674	Y287-C676 HydrophobicContact CE1-CB 4.17Å; Y287-C676 WeakPolarHBondContact OH-CB 3.47Å; K288-C676 HydrophobicContact CG-CB 4.37Å; E567-C676 HydrophobicContact CB-CB 4.04Å; E567-C676 HydrophobicContact CG-CB 4.4Å; E567-C676 PolarHBondContact N-O 3.22Å; E567-C676 PolarHBondContact OE1-SG 3.46Å; E567-C676 VanDerWaalsContact OE1-SG 3.34Å; L674-C676 PolarHBondContact O-N 3.23Å
677	D	93.6	Very high	95.8	Very high	35 Å²	35	18.5 Å²	18.5	19%	0.187	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-4.6	176.8	-69.3	-52.7	0	0	0	113.6	Y287 K288 L674 R675	Y287-D677 VanDerWaalsContact OH-CG 3.31Å; Y287-D677 PolarHBondContact OH-OD2 3.49Å; K288-D677 IonicContact NZ-OD1 3.72Å; K288-D677 PolarHBondContact NZ-OD1 3.25Å; K288-D677 IonicContact NZ-OD2 3.84Å; L674-D677 PolarHBondContact O-N 2.59Å; R675-D677 VanDerWaalsContact C-N 3.29Å
678	A	94.4	Very high	95.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.			trans	-146.5	146.8	178.6	0	0	0	0	0	114.2	V635 V640 R675	V635-A678 HydrophobicContact CB-CB 4.26Å; V635-A678 HydrophobicContact CG1-CB 3.68Å; V635-A678 HydrophobicContact CG2-CB 3.52Å; V640-A678 CarbonylContact O-C 3.59Å; V640-A678 VanDerWaalsContact O-CA 3.24Å; V640-A678 WeakPolarHBondContact O-CA 3.44Å; R675-A678 PolarHBondContact NH1-O 2.86Å
679	N	95.9	Very high	95.8	Very high	15 Å²	15	15.4 Å²	15.4	8%	0.08	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	143	174.4	-54.9	124.2	0	0	0	110.6	I564 G565 V640 L641 L642 T702	I564-N679 WeakPolarHBondContact CA-OD1 3.13Å; I564-N679 HydrophobicContact CG1-CB 4.45Å; I564-N679 WeakPolarHBondContact CG2-OD1 3.24Å; G565-N679 PolarHBondContact N-OD1 3.07Å; G565-N679 PolarHBondContact O-OD1 3.18Å; V640-N679 PolarHBondContact O-N 3.06Å; L641-N679 HydrophobicContact CD2-CB 4.35Å; L642-N679 PolarHBondContact N-O 2.86Å; N679-T702 HydrophobicContact CB-CG2 4.13Å
680	I	97.9	Very high	95.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	118.9	-179.9	-59.1	173.8	0	0	0	108.7	L644 I665 Q666 L669 V682 T702	L644-I680 HydrophobicContact CD1-CG2 3.79Å; L644-I680 HydrophobicContact CG-CG2 4.1Å; I665-I680 HydrophobicContact CG2-CD1 4.21Å; Q666-I680 HydrophobicContact CB-CD1 4.27Å; L669-I680 HydrophobicContact CD1-CD1 4.44Å; I680-V682 HydrophobicContact CG2-CG2 4.21Å; I680-T702 PolarHBondContact N-OG1 2.97Å; I680-T702 WeakPolarHBondContact O-CA 3.23Å; I680-T702 VanDerWaalsContact O-CB 3.27Å; I680-T702 WeakPolarHBondContact O-CB 3.47Å; I680-T702 PolarHBondContact O-N 2.91Å
681	I	98.2	Very high	96.1	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.01	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	137.4	174	-49.5	-60.8	0	0	0	108	I564 L588 F593 L641 L642 V643 L644 A703	I564-I681 HydrophobicContact CD1-CD1 3.68Å; L588-I681 HydrophobicContact CD1-CG2 3.96Å; F593-I681 HydrophobicContact CD2-CG2 4.33Å; F593-I681 HydrophobicContact CE2-CG2 4.23Å; L641-I681 HydrophobicContact CB-CG1 4.42Å; L642-I681 PolarHBondContact O-N 3.12Å; V643-I681 CarbonylContact C-O 3.58Å; V643-I681 WeakPolarHBondContact CA-O 3.18Å; V643-I681 HydrophobicContact CG2-CB 4.26Å; L644-I681 PolarHBondContact N-O 3.32Å; I681-A703 WeakPolarHBondContact CA-O 2.88Å; I681-A703 HydrophobicContact CD1-CB 4.02Å
682	V	98.6	Very high	96.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	107.2	-175.6	-173.1	0	0	0	0	110.2	A658 V662 I680 T684 L696 A701 A703 I704 Y705	A658-V682 HydrophobicContact CB-CG1 4.33Å; V662-V682 HydrophobicContact CG2-CG2 3.59Å; I680-V682 HydrophobicContact CG2-CG2 4.21Å; V682-T684 HydrophobicContact CG1-CG2 3.85Å; V682-L696 HydrophobicContact CG1-CD1 4.48Å; V682-A701 HydrophobicContact CG2-CB 3.82Å; V682-A703 PolarHBondContact N-O 3.32Å; V682-I704 HydrophobicContact CB-CG1 4.32Å; V682-I704 HydrophobicContact CB-CG2 4.45Å; V682-I704 CarbonylContact O-C 3.45Å; V682-I704 WeakPolarHBondContact O-CA 3.48Å; V682-Y705 PolarHBondContact O-N 3.29Å
683	E	98.4	Very high	96.6	Very high	16 Å²	16	8 Å²	8	8%	0.075	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	114.5	162.1	176.2	178	-135.3	0	0	107.9	F593 L644 S645 D646 R647 Y705 Y707	F593-E683 HydrophobicContact CE2-CB 4.14Å; F593-E683 HydrophobicContact CZ-CB 3.97Å; F593-E683 HydrophobicContact CZ-CG 4.41Å; L644-E683 PolarHBondContact O-N 2.73Å; S645-E683 WeakPolarHBondContact CA-O 3.24Å; S645-E683 WeakPolarHBondContact CB-OE2 3.24Å; S645-E683 PolarHBondContact OG-OE2 3.37Å; D646-E683 PolarHBondContact N-O 2.88Å; R647-E683 IonicContact CZ-OE1 3.19Å; R647-E683 IonicContact NE-OE1 3.64Å; R647-E683 PolarHBondContact NE-OE1 2.86Å; R647-E683 IonicContact NE-OE2 3.49Å; R647-E683 IonicContact NH2-OE1 2.91Å; R647-E683 PolarHBondContact NH2-OE1 2.83Å; E683-Y705 WeakPolarHBondContact CA-O 3.06Å; E683-Y705 HydrophobicContact CB-CD1 4.48Å; E683-Y705 HydrophobicContact CG-CD1 3.97Å; E683-Y707 HydrophobicContact CG-CD1 3.74Å; E683-Y707 HydrophobicContact CG-CE1 4.38Å; E683-Y707 HydrophobicContact CG-CG 4.49Å
684	T	98.4	Very high	96.9	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.031	C	C	.	.			trans	-142.4	140.7	-175.2	-176.1	0	0	0	0	114.1	D646 V682 S686 A687 L696 I704 Y705 P706 Y707	D646-T684 WeakPolarHBondContact OD1-CA 3.38Å; D646-T684 WeakPolarHBondContact OD2-CA 3.24Å; D646-T684 VanDerWaalsContact OD2-CB 3.29Å; D646-T684 WeakPolarHBondContact OD2-CB 3.02Å; D646-T684 PolarHBondContact OD2-OG1 3.49Å; V682-T684 HydrophobicContact CG1-CG2 3.85Å; T684-S686 VanDerWaalsContact C-N 3.33Å; T684-S686 WeakPolarHBondContact OG1-CB 3.32Å; T684-S686 PolarHBondContact OG1-N 2.84Å; T684-S686 PolarHBondContact OG1-OG 3Å; T684-A687 HydrophobicContact CG2-CB 3.74Å; T684-L696 HydrophobicContact CG2-CD1 4.21Å; T684-I704 HydrophobicContact CG2-CG2 4.03Å; T684-Y705 PolarHBondContact N-O 3.47Å; T684-P706 CarbonylContact O-C 3.58Å; T684-P706 WeakPolarHBondContact O-CA 3.43Å; T684-Y707 PolarHBondContact O-N 2.83Å
685	A	97.8	Very high	97	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.028	C	C	.	.	S	Bend	trans	-82.7	-7.6	165.7	0	0	0	0	0	113.5	F492 Y494 D646 Y707 L708	F492-A685 HydrophobicContact CD1-CB 3.86Å; F492-A685 HydrophobicContact CD2-CB 3.48Å; F492-A685 VanDerWaalsContact CD2-CB 3.48Å; F492-A685 HydrophobicContact CE1-CB 3.75Å; F492-A685 HydrophobicContact CE2-CB 3.38Å; F492-A685 HydrophobicContact CG-CB 3.73Å; F492-A685 HydrophobicContact CZ-CB 3.52Å; Y494-A685 VanDerWaalsContact CE2-O 3.23Å; Y494-A685 WeakPolarHBondContact CE2-O 3.49Å; Y494-A685 PolarHBondContact OH-O 3.16Å; D646-A685 PolarHBondContact OD1-N 3.33Å; D646-A685 PolarHBondContact OD2-N 3.24Å; A685-Y707 HydrophobicContact CB-CD1 4.49Å; A685-Y707 HydrophobicContact CB-CE1 3.63Å; A685-Y707 HydrophobicContact CB-CE2 4.49Å; A685-Y707 WeakPolarHBondContact CB-OH 3.26Å; A685-Y707 VanDerWaalsContact N-CE1 3.34Å; A685-L708 HydrophobicContact CB-CB 3.59Å; A685-L708 HydrophobicContact CB-CD2 3.54Å; A685-L708 HydrophobicContact CB-CG 4.19Å
686	S	96.7	Very high	97.2	Very high	14 Å²	14	5 Å²	5	10%	0.098	3%	0.027	C	C	.	.	S	Bend	trans	-91.4	-26.1	-171.7	74.3	0	0	0	0	114.5	Y534 T684 H692	Y534-S686 WeakPolarHBondContact CE2-O 3.25Å; Y534-S686 PolarHBondContact OH-OG 3.24Å; T684-S686 VanDerWaalsContact C-N 3.33Å; T684-S686 WeakPolarHBondContact OG1-CB 3.32Å; T684-S686 PolarHBondContact OG1-N 2.84Å; T684-S686 PolarHBondContact OG1-OG 3Å; S686-H692 PolarHBondContact O-ND1 3.49Å
687	A	97.8	Very high	97.4	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.027	C	C	.	.			trans	-85.7	126.3	180	0	0	0	0	0	111.2	T684 H692 F693 L696 I704	T684-A687 HydrophobicContact CG2-CB 3.74Å; A687-H692 HydrophobicContact CB-CB 4Å; A687-F693 HydrophobicContact CB-CD1 4.11Å; A687-F693 HydrophobicContact CB-CE1 3.78Å; A687-F693 HydrophobicContact CB-CE2 4.45Å; A687-F693 HydrophobicContact CB-CZ 3.95Å; A687-L696 HydrophobicContact CB-CD1 3.97Å; A687-I704 HydrophobicContact CB-CG2 4.49Å
688	R	96.4	Very high	97.6	Very high	5 Å²	5	3.2 Å²	3.2	2%	0.019	2%	0.018	C	C	.	.			trans	-147	-14.5	-174.8	55.9	-174.1	172.6	-119.3	13.3	116.2	F492 N493 Y494 E498 I503 H692 Y733	F492-R688 PolarHBondContact O-NH1 3.37Å; N493-R688 PolarHBondContact O-NH2 3.03Å; Y494-R688 HydrophobicContact CE1-CB 4.19Å; Y494-R688 VanDerWaalsContact CE1-CD 3.45Å; Y494-R688 HydrophobicContact CE1-CG 4.48Å; E498-R688 IonicContact OE1-CZ 3.94Å; E498-R688 IonicContact OE1-NE 3.57Å; E498-R688 PolarHBondContact OE1-NE 3.21Å; E498-R688 IonicContact OE1-NH2 2.61Å; E498-R688 PolarHBondContact OE1-NH2 3.27Å; E498-R688 IonicContact OE2-NH2 2.72Å; I503-R688 HydrophobicContact CD1-CB 4.05Å; I503-R688 HydrophobicContact CG1-CB 4.47Å; R688-H692 PolarHBondContact N-ND1 2.9Å; R688-Y733 VanDerWaalsContact CA-OH 3.29Å; R688-Y733 WeakPolarHBondContact CA-OH 3.42Å; R688-Y733 PolarHBondContact O-OH 3Å
689	D	95.6	Very high	97.7	Very high	13 Å²	13	3.5 Å²	3.5	7%	0.07	2%	0.019	C	C	.	.	S	Bend	trans	-131.9	168.4	172.3	83.6	19.7	0	0	0	111.3	V502 H691 H692 F693 Y1071	V502-D689 HydrophobicContact CG1-CB 4Å; D689-H691 VanDerWaalsContact C-N 3.26Å; D689-H691 PolarHBondContact O-N 2.98Å; D689-H691 WeakPolarHBondContact OD1-CA 3.47Å; D689-H691 WeakPolarHBondContact OD1-CB 3.48Å; D689-H691 PolarHBondContact OD1-N 2.85Å; D689-H692 PolarHBondContact O-N 3.21Å; D689-H692 VanDerWaalsContact O-N 3.11Å; D689-H692 IonicContact OD1-CD2 2.81Å; D689-H692 PolarHBondContact OD1-CD2 3.28Å; D689-H692 IonicContact OD1-CG 2.8Å; D689-H692 PolarHBondContact OD1-N 2.85Å; D689-H692 VanDerWaalsContact OD1-N 3.13Å; D689-H692 IonicContact OD1-NE2 3.49Å; D689-H692 IonicContact OD2-CD2 3.48Å; D689-H692 IonicContact OD2-NE2 3.28Å; D689-F693 WeakPolarHBondContact O-CD2 3.47Å; D689-F693 WeakPolarHBondContact O-CE2 3.43Å; D689-F693 PolarHBondContact O-N 3.34Å; D689-Y1071 VanDerWaalsContact OD2-CE2 3.26Å; D689-Y1071 WeakPolarHBondContact OD2-CE2 3.41Å; D689-Y1071 PolarHBondContact OD2-OH 2.79Å
690	P	97.6	Very high	97.7	Very high	2 Å²	2	2.8 Å²	2.8	1%	0.013	2%	0.015	C	C	.	.	H	α-helix	trans	-60.4	-28.8	-175	-25.4	36.1	0	0	0	115.2	E512 A694 I737 I744	E512-P690 HydrophobicContact CG-CG 3.87Å; P690-A694 WeakPolarHBondContact O-CB 3.48Å; P690-A694 PolarHBondContact O-N 3.3Å; P690-I737 HydrophobicContact CG-CD1 3.78Å; P690-I744 HydrophobicContact CB-CD1 3.92Å; P690-I744 WeakPolarHBondContact O-CD1 3.31Å
691	H	98.1	Very high	97.7	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-67.3	-41.6	177.2	174.7	89.3	0	0	0	110.4	Y534 F537 Q539 D689 F693 A694 V695 F762 Y1071	Y534-H691 PolarHBondContact O-NE2 2.88Å; F537-H691 PolarHBondContact O-CE1 2.86Å; F537-H691 PolarHBondContact O-NE2 3.11Å; Q539-H691 PolarHBondContact NE2-ND1 3.18Å; D689-H691 VanDerWaalsContact C-N 3.26Å; D689-H691 PolarHBondContact O-N 2.98Å; D689-H691 WeakPolarHBondContact OD1-CA 3.47Å; D689-H691 WeakPolarHBondContact OD1-CB 3.48Å; D689-H691 PolarHBondContact OD1-N 2.85Å; H691-F693 VanDerWaalsContact C-N 3.32Å; H691-F693 PolarHBondContact O-N 3.19Å; H691-A694 PolarHBondContact O-N 2.84Å; H691-A694 VanDerWaalsContact O-N 3.14Å; H691-V695 VanDerWaalsContact NE2-CG2 3.32Å; H691-V695 WeakPolarHBondContact NE2-CG2 3.35Å; H691-V695 WeakPolarHBondContact O-CG2 3.46Å; H691-V695 PolarHBondContact O-N 3.36Å; H691-F762 AromaticContact CE1-CE1 3.82Å; H691-Y1071 HydrophobicContact CB-CD2 3.42Å; H691-Y1071 VanDerWaalsContact CB-CD2 3.42Å; H691-Y1071 HydrophobicContact CB-CE2 3.79Å; H691-Y1071 HydrophobicContact CB-CG 3.9Å; H691-Y1071 AromaticContact CD2-CD1 3.9Å; H691-Y1071 AromaticContact CD2-CG 3.92Å; H691-Y1071 AromaticContact CG-CD1 3.99Å; H691-Y1071 AromaticContact CG-CD2 3.61Å; H691-Y1071 AromaticContact CG-CG 3.52Å; H691-Y1071 VanDerWaalsContact ND1-CB 3.27Å; H691-Y1071 WeakPolarHBondContact ND1-CB 3.29Å; H691-Y1071 AromaticContact ND1-CG 3.61Å
692	H	98.3	Very high	97.7	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-60.7	-42.9	179.6	-62	-161.6	0	0	0	111.5	I532 Y534 S686 A687 R688 D689 V695 L696	I532-H692 WeakPolarHBondContact CD1-CE1 3.2Å; Y534-H692 HydrophobicContact CD1-CB 3.83Å; Y534-H692 AromaticContact CD1-CG 3.94Å; Y534-H692 HydrophobicContact CD2-CB 4.23Å; Y534-H692 AromaticContact CD2-CE1 3.76Å; Y534-H692 AromaticContact CD2-CG 3.64Å; Y534-H692 AromaticContact CD2-ND1 3.46Å; Y534-H692 WeakPolarHBondContact CD2-ND1 3.34Å; Y534-H692 HydrophobicContact CE1-CB 3.76Å; Y534-H692 WeakPolarHBondContact CE1-O 3.39Å; Y534-H692 HydrophobicContact CE2-CB 4.19Å; Y534-H692 AromaticContact CE2-CG 3.95Å; Y534-H692 AromaticContact CE2-ND1 3.66Å; Y534-H692 HydrophobicContact CG-CB 4.06Å; Y534-H692 AromaticContact CG-CD2 3.73Å; Y534-H692 AromaticContact CG-CG 3.63Å; Y534-H692 AromaticContact CG-ND1 3.95Å; S686-H692 PolarHBondContact O-ND1 3.49Å; A687-H692 HydrophobicContact CB-CB 4Å; R688-H692 PolarHBondContact N-ND1 2.9Å; D689-H692 PolarHBondContact O-N 3.21Å; D689-H692 VanDerWaalsContact O-N 3.11Å; D689-H692 IonicContact OD1-CD2 2.81Å; D689-H692 PolarHBondContact OD1-CD2 3.28Å; D689-H692 IonicContact OD1-CG 2.8Å; D689-H692 PolarHBondContact OD1-N 2.85Å; D689-H692 VanDerWaalsContact OD1-N 3.13Å; D689-H692 IonicContact OD1-NE2 3.49Å; D689-H692 IonicContact OD2-CD2 3.48Å; D689-H692 IonicContact OD2-NE2 3.28Å; H692-V695 PolarHBondContact O-N 3.32Å; H692-L696 WeakPolarHBondContact O-CG 3.46Å; H692-L696 PolarHBondContact O-N 2.68Å
693	F	98.5	Very high	97.7	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-66	-41.9	175.3	-60.8	-79.3	0	0	0	111.7	I587 A687 D689 H691 V695 L696 L697 I704 P706 Y733 I737 L741	I587-F693 HydrophobicContact CD1-CB 3.97Å; I587-F693 HydrophobicContact CD1-CD1 3.36Å; I587-F693 HydrophobicContact CD1-CD2 4.47Å; I587-F693 HydrophobicContact CD1-CE1 3.94Å; I587-F693 HydrophobicContact CD1-CG 3.68Å; A687-F693 HydrophobicContact CB-CD1 4.11Å; A687-F693 HydrophobicContact CB-CE1 3.78Å; A687-F693 HydrophobicContact CB-CE2 4.45Å; A687-F693 HydrophobicContact CB-CZ 3.95Å; D689-F693 WeakPolarHBondContact O-CD2 3.47Å; D689-F693 WeakPolarHBondContact O-CE2 3.43Å; D689-F693 PolarHBondContact O-N 3.34Å; H691-F693 VanDerWaalsContact C-N 3.32Å; H691-F693 PolarHBondContact O-N 3.19Å; F693-V695 VanDerWaalsContact C-N 3.32Å; F693-V695 PolarHBondContact O-N 2.94Å; F693-L696 PolarHBondContact O-N 3.47Å; F693-L697 WeakPolarHBondContact O-CB 3.27Å; F693-L697 WeakPolarHBondContact O-CD1 3.42Å; F693-L697 WeakPolarHBondContact O-CG 3.1Å; F693-L697 PolarHBondContact O-N 2.71Å; F693-I704 HydrophobicContact CB-CD1 4.18Å; F693-I704 HydrophobicContact CD1-CB 4Å; F693-I704 HydrophobicContact CD1-CD1 3.79Å; F693-I704 HydrophobicContact CD1-CG2 3.74Å; F693-I704 HydrophobicContact CE1-CB 4.29Å; F693-I704 HydrophobicContact CE1-CG2 3.72Å; F693-I704 HydrophobicContact CG-CD1 4.47Å; F693-P706 HydrophobicContact CE1-CB 3.71Å; F693-P706 HydrophobicContact CE1-CG 3.76Å; F693-P706 HydrophobicContact CZ-CB 3.57Å; F693-P706 HydrophobicContact CZ-CG 3.67Å; F693-Y733 HydrophobicContact CZ-CE1 4.36Å; F693-I737 HydrophobicContact CB-CG2 4.33Å; F693-I737 HydrophobicContact CD2-CB 4.43Å; F693-I737 HydrophobicContact CD2-CD1 3.99Å; F693-I737 HydrophobicContact CD2-CG1 4.18Å; F693-I737 HydrophobicContact CD2-CG2 3.36Å; F693-I737 HydrophobicContact CE2-CB 4.43Å; F693-I737 HydrophobicContact CE2-CD1 3.62Å; F693-I737 HydrophobicContact CE2-CG1 3.75Å; F693-I737 HydrophobicContact CE2-CG2 3.77Å; F693-I737 HydrophobicContact CG-CG2 3.87Å; F693-I737 HydrophobicContact CZ-CG1 4.45Å; F693-L741 HydrophobicContact CB-CD2 4.08Å
694	A	98.3	Very high	97.7	Very high	1 Å²	1	2 Å²	2	1%	0.008	1%	0.012	C	C	.	.	H	α-helix	trans	-61.5	-38.3	177.6	0	0	0	0	0	112.6	P690 H691 G698 L741 I744 Y756 F762	P690-A694 WeakPolarHBondContact O-CB 3.48Å; P690-A694 PolarHBondContact O-N 3.3Å; H691-A694 PolarHBondContact O-N 2.84Å; H691-A694 VanDerWaalsContact O-N 3.14Å; A694-G698 PolarHBondContact O-N 2.93Å; A694-L741 HydrophobicContact CB-CD2 3.98Å; A694-I744 HydrophobicContact CB-CB 4.47Å; A694-I744 HydrophobicContact CB-CD1 3.86Å; A694-I744 HydrophobicContact CB-CG2 3.85Å; A694-Y756 HydrophobicContact CB-CE1 4.43Å; A694-F762 HydrophobicContact CB-CZ 4.1Å; A694-F762 WeakPolarHBondContact O-CZ 3.49Å
695	V	98.4	Very high	97.6	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-62.6	-51.6	174.6	168.3	0	0	0	0	110.7	Y534 F537 P659 H691 H692 F693 L697 G698 F699 F762	Y534-V695 HydrophobicContact CD1-CB 3.93Å; Y534-V695 HydrophobicContact CD1-CG1 3.94Å; Y534-V695 HydrophobicContact CD1-CG2 4.31Å; Y534-V695 HydrophobicContact CE1-CB 4.24Å; Y534-V695 HydrophobicContact CE1-CG1 4.17Å; F537-V695 HydrophobicContact CB-CG2 3.99Å; F537-V695 HydrophobicContact CD2-CG1 3.92Å; F537-V695 HydrophobicContact CD2-CG2 4.21Å; F537-V695 HydrophobicContact CE2-CG1 4.1Å; F537-V695 HydrophobicContact CG-CG1 4.46Å; F537-V695 HydrophobicContact CG-CG2 4.25Å; P659-V695 HydrophobicContact CB-CG1 4.07Å; P659-V695 HydrophobicContact CG-CG1 4.06Å; H691-V695 VanDerWaalsContact NE2-CG2 3.32Å; H691-V695 WeakPolarHBondContact NE2-CG2 3.35Å; H691-V695 WeakPolarHBondContact O-CG2 3.46Å; H691-V695 PolarHBondContact O-N 3.36Å; H692-V695 PolarHBondContact O-N 3.32Å; F693-V695 VanDerWaalsContact C-N 3.32Å; F693-V695 PolarHBondContact O-N 2.94Å; V695-L697 VanDerWaalsContact C-N 3.35Å; V695-L697 PolarHBondContact O-N 2.85Å; V695-G698 PolarHBondContact O-N 3.16Å; V695-F699 HydrophobicContact CG1-CD2 3.85Å; V695-F699 HydrophobicContact CG1-CE2 4.05Å; V695-F699 VanDerWaalsContact O-CD2 3.27Å; V695-F699 WeakPolarHBondContact O-CD2 3.2Å; V695-F699 PolarHBondContact O-N 3.1Å; V695-F762 HydrophobicContact CB-CZ 4.3Å; V695-F762 HydrophobicContact CG2-CD1 4.18Å; V695-F762 HydrophobicContact CG2-CE1 3.66Å; V695-F762 HydrophobicContact CG2-CE2 4.23Å; V695-F762 HydrophobicContact CG2-CZ 3.69Å
696	L	98.7	Very high	97.6	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-58.7	-44.1	179.1	-70.7	169.7	0	0	0	112.2	Y534 A658 P659 V662 V682 T684 A687 H692 F693 F699 G700 A701 I704	Y534-L696 HydrophobicContact CE1-CG 4.16Å; A658-L696 HydrophobicContact CB-CD2 3.99Å; P659-L696 HydrophobicContact CB-CD2 4.49Å; P659-L696 HydrophobicContact CG-CD2 3.93Å; V662-L696 HydrophobicContact CG2-CD2 3.98Å; V682-L696 HydrophobicContact CG1-CD1 4.48Å; T684-L696 HydrophobicContact CG2-CD1 4.21Å; A687-L696 HydrophobicContact CB-CD1 3.97Å; H692-L696 WeakPolarHBondContact O-CG 3.46Å; H692-L696 PolarHBondContact O-N 2.68Å; F693-L696 PolarHBondContact O-N 3.47Å; L696-F699 PolarHBondContact O-N 3.42Å; L696-G700 PolarHBondContact O-N 2.95Å; L696-A701 HydrophobicContact CB-CB 4.14Å; L696-A701 WeakPolarHBondContact O-CB 3.45Å; L696-A701 PolarHBondContact O-N 2.89Å; L696-I704 HydrophobicContact CB-CD1 3.55Å; L696-I704 HydrophobicContact CB-CG1 4.35Å; L696-I704 HydrophobicContact CD1-CD1 3.82Å; L696-I704 HydrophobicContact CD1-CG1 4.26Å; L696-I704 HydrophobicContact CD1-CG2 4.12Å; L696-I704 HydrophobicContact CG-CD1 4.34Å
697	L	98.3	Very high	97.7	Very high	0 Å²	0	1.7 Å²	1.7	0%	0	1%	0.008	C	C	.	.	H	α-helix	trans	-67.7	-43.7	178.3	-64.5	166.6	0	0	0	111.5	P586 F693 V695 F699 G700 A701 I704 L741 I753 R757 C758	P586-L697 HydrophobicContact CB-CD1 4.27Å; P586-L697 HydrophobicContact CB-CD2 3.88Å; P586-L697 HydrophobicContact CG-CD1 3.86Å; P586-L697 HydrophobicContact CG-CD2 4.37Å; F693-L697 WeakPolarHBondContact O-CB 3.27Å; F693-L697 WeakPolarHBondContact O-CD1 3.42Å; F693-L697 WeakPolarHBondContact O-CG 3.1Å; F693-L697 PolarHBondContact O-N 2.71Å; V695-L697 VanDerWaalsContact C-N 3.35Å; V695-L697 PolarHBondContact O-N 2.85Å; L697-F699 PolarHBondContact O-N 3.2Å; L697-G700 PolarHBondContact O-N 3.4Å; L697-G700 VanDerWaalsContact O-N 3.13Å; L697-A701 HydrophobicContact CD2-CB 4.39Å; L697-A701 WeakPolarHBondContact CD2-O 3.39Å; L697-I704 HydrophobicContact CD1-CD1 4.4Å; L697-I704 HydrophobicContact CD2-CD1 4.03Å; L697-I704 HydrophobicContact CG-CD1 3.84Å; L697-L741 HydrophobicContact CD1-CD1 3.95Å; L697-L741 HydrophobicContact CD1-CD2 4.06Å; L697-I753 HydrophobicContact CD1-CD1 3.92Å; L697-I753 HydrophobicContact CD1-CG1 4.49Å; L697-R757 WeakPolarHBondContact O-CA 3.32Å; L697-C758 PolarHBondContact O-N 3.39Å
698	G	97.1	Very high	97.7	Very high	0 Å²	0	1.7 Å²	1.7	0%	0	1%	0.008	C	C	.	.	H	α-helix	trans	-63.2	-26.8	178.2	0	0	0	0	0	114.1	A694 V695 C758 S759 K760	A694-G698 PolarHBondContact O-N 2.93Å; V695-G698 PolarHBondContact O-N 3.16Å; G698-C758 CarbonylContact O-C 3.53Å; G698-C758 VanDerWaalsContact O-C 3.25Å; G698-C758 WeakPolarHBondContact O-CA 3.47Å; G698-C758 PolarHBondContact O-N 3.12Å; G698-S759 PolarHBondContact O-N 2.96Å; G698-K760 PolarHBondContact O-N 2.74Å
699	F	97.3	Very high	97.7	Very high	5 Å²	5	1.5 Å²	1.5	2%	0.022	1%	0.007	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	3.3	174.5	-72.2	-63.2	0	0	0	115.3	F537 V662 Q666 V695 L696 L697 K760 F762 F776 A779	F537-F699 AromaticContact CD1-CE2 3.93Å; F537-F699 HydrophobicContact CD1-CE2 3.93Å; F537-F699 HydrophobicContact CD1-CZ 4.14Å; F537-F699 AromaticContact CE1-CE2 3.52Å; F537-F699 HydrophobicContact CE1-CE2 3.52Å; F537-F699 AromaticContact CE1-CZ 3.58Å; F537-F699 HydrophobicContact CE1-CZ 3.58Å; F537-F699 HydrophobicContact CE2-CE2 4.42Å; F537-F699 AromaticContact CZ-CE2 3.8Å; F537-F699 HydrophobicContact CZ-CE2 3.8Å; F537-F699 HydrophobicContact CZ-CZ 4.17Å; V662-F699 HydrophobicContact CG1-CB 4.42Å; Q666-F699 VanDerWaalsContact CB-O 3.3Å; Q666-F699 WeakPolarHBondContact CB-O 3.47Å; Q666-F699 WeakPolarHBondContact CG-O 3.31Å; V695-F699 HydrophobicContact CG1-CD2 3.85Å; V695-F699 HydrophobicContact CG1-CE2 4.05Å; V695-F699 VanDerWaalsContact O-CD2 3.27Å; V695-F699 WeakPolarHBondContact O-CD2 3.2Å; V695-F699 PolarHBondContact O-N 3.1Å; L696-F699 PolarHBondContact O-N 3.42Å; L697-F699 PolarHBondContact O-N 3.2Å; F699-K760 HydrophobicContact CD1-CG 4.11Å; F699-K760 HydrophobicContact CE1-CB 4.24Å; F699-K760 HydrophobicContact CE1-CG 4.05Å; F699-F762 HydrophobicContact CE2-CD2 4.21Å; F699-F776 AromaticContact CD1-CD1 3.82Å; F699-F776 HydrophobicContact CD1-CD1 3.82Å; F699-F776 AromaticContact CD2-CD1 3.93Å; F699-F776 HydrophobicContact CD2-CD1 3.93Å; F699-F776 HydrophobicContact CD2-CE1 4.14Å; F699-F776 HydrophobicContact CE1-CB 3.87Å; F699-F776 AromaticContact CE1-CD1 3.69Å; F699-F776 HydrophobicContact CE1-CD1 3.69Å; F699-F776 HydrophobicContact CE1-CG 4.22Å; F699-F776 AromaticContact CE2-CD1 3.81Å; F699-F776 HydrophobicContact CE2-CD1 3.81Å; F699-F776 HydrophobicContact CE2-CE1 4.23Å; F699-F776 AromaticContact CG-CD1 3.95Å; F699-F776 HydrophobicContact CG-CD1 3.95Å; F699-F776 HydrophobicContact CG-CE1 4.38Å; F699-F776 HydrophobicContact CZ-CB 4.13Å; F699-F776 AromaticContact CZ-CD1 3.7Å; F699-F776 HydrophobicContact CZ-CD1 3.7Å; F699-F776 HydrophobicContact CZ-CG 4.21Å; F699-A779 HydrophobicContact CE1-CB 4.04Å; F699-A779 HydrophobicContact CZ-CB 4.04Å
700	G	95.8	Very high	97.8	Very high	0 Å²	0	1.5 Å²	1.5	0%	0	1%	0.007	C	C	.	.	T	Hydrogen-bonded Turn	trans	124.6	-1	164.4	0	0	0	0	0	117.2	R675 L696 L697	R675-G700 PolarHBondContact NH2-O 2.95Å; L696-G700 PolarHBondContact O-N 2.95Å; L697-G700 PolarHBondContact O-N 3.4Å; L697-G700 VanDerWaalsContact O-N 3.13Å
701	A	98	Very high	97.8	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.008	C	C	.	.			trans	-59.6	139.4	173.1	0	0	0	0	0	111.1	V662 V682 L696 L697 I704 R757	V662-A701 HydrophobicContact CG1-CB 4.21Å; V682-A701 HydrophobicContact CG2-CB 3.82Å; L696-A701 HydrophobicContact CB-CB 4.14Å; L696-A701 WeakPolarHBondContact O-CB 3.45Å; L696-A701 PolarHBondContact O-N 2.89Å; L697-A701 HydrophobicContact CD2-CB 4.39Å; L697-A701 WeakPolarHBondContact CD2-O 3.39Å; A701-I704 HydrophobicContact CB-CD1 4.48Å; A701-I704 HydrophobicContact CB-CG1 4.25Å; A701-R757 WeakPolarHBondContact O-CD 3.36Å; A701-R757 PolarHBondContact O-NE 3.13Å
702	T	97.6	Very high	97.7	Very high	2 Å²	2	2 Å²	2	1%	0.012	1%	0.009	C	C	.	.	S	Bend	trans	-87.6	-48.9	175.4	-57.6	0	0	0	0	110.9	T562 I564 R675 N679 I680 R757	T562-T702 HydrophobicContact CG2-CG2 3.77Å; I564-T702 HydrophobicContact CD1-CG2 4.25Å; I564-T702 HydrophobicContact CG1-CG2 3.78Å; R675-T702 PolarHBondContact NH2-OG1 3.49Å; N679-T702 HydrophobicContact CB-CG2 4.13Å; I680-T702 PolarHBondContact N-OG1 2.97Å; I680-T702 WeakPolarHBondContact O-CA 3.23Å; I680-T702 VanDerWaalsContact O-CB 3.27Å; I680-T702 WeakPolarHBondContact O-CB 3.47Å; I680-T702 PolarHBondContact O-N 2.91Å; T702-R757 PolarHBondContact O-NH2 2.95Å
703	A	97.8	Very high	97.7	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.009	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	159	174.9	0	0	0	0	0	111.4	F583 P586 L588 I681 V682	F583-A703 HydrophobicContact CE2-CB 4.05Å; F583-A703 HydrophobicContact CZ-CB 3.92Å; P586-A703 CarbonylContact O-C 3.55Å; P586-A703 VanDerWaalsContact O-CA 3.25Å; P586-A703 WeakPolarHBondContact O-CA 3.48Å; P586-A703 WeakPolarHBondContact O-CB 3.4Å; L588-A703 HydrophobicContact CD1-CB 3.96Å; L588-A703 HydrophobicContact CD2-CB 3.97Å; L588-A703 HydrophobicContact CG-CB 3.94Å; I681-A703 WeakPolarHBondContact CA-O 2.88Å; I681-A703 HydrophobicContact CD1-CB 4.02Å; V682-A703 PolarHBondContact N-O 3.32Å
704	I	98.7	Very high	97.6	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.009	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	130.1	-168	-55.6	160.9	0	0	0	109.8	P586 L588 V682 T684 A687 F693 L696 L697 A701 P706	P586-I704 PolarHBondContact O-N 3.28Å; L588-I704 PolarHBondContact N-O 3.31Å; V682-I704 HydrophobicContact CB-CG1 4.32Å; V682-I704 HydrophobicContact CB-CG2 4.45Å; V682-I704 CarbonylContact O-C 3.45Å; V682-I704 WeakPolarHBondContact O-CA 3.48Å; T684-I704 HydrophobicContact CG2-CG2 4.03Å; A687-I704 HydrophobicContact CB-CG2 4.49Å; F693-I704 HydrophobicContact CB-CD1 4.18Å; F693-I704 HydrophobicContact CD1-CB 4Å; F693-I704 HydrophobicContact CD1-CD1 3.79Å; F693-I704 HydrophobicContact CD1-CG2 3.74Å; F693-I704 HydrophobicContact CE1-CB 4.29Å; F693-I704 HydrophobicContact CE1-CG2 3.72Å; F693-I704 HydrophobicContact CG-CD1 4.47Å; L696-I704 HydrophobicContact CB-CD1 3.55Å; L696-I704 HydrophobicContact CB-CG1 4.35Å; L696-I704 HydrophobicContact CD1-CD1 3.82Å; L696-I704 HydrophobicContact CD1-CG1 4.26Å; L696-I704 HydrophobicContact CD1-CG2 4.12Å; L696-I704 HydrophobicContact CG-CD1 4.34Å; L697-I704 HydrophobicContact CD1-CD1 4.4Å; L697-I704 HydrophobicContact CD2-CD1 4.03Å; L697-I704 HydrophobicContact CG-CD1 3.84Å; A701-I704 HydrophobicContact CB-CD1 4.48Å; A701-I704 HydrophobicContact CB-CG1 4.25Å; I704-P706 WeakPolarHBondContact O-CD 3.46Å
705	Y	98	Very high	97.5	Very high	7 Å²	7	5.3 Å²	5.3	3%	0.027	2%	0.021	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	99.8	172.2	179	-129.3	0	0	0	110	L588 F593 V682 E683 T684 Y707 Y710	L588-Y705 HydrophobicContact CB-CD2 4.44Å; F593-Y705 HydrophobicContact CB-CD1 4.09Å; F593-Y705 HydrophobicContact CB-CD2 4.17Å; F593-Y705 HydrophobicContact CB-CG 3.87Å; F593-Y705 AromaticContact CD1-CD1 3.62Å; F593-Y705 HydrophobicContact CD1-CD1 3.62Å; F593-Y705 AromaticContact CD1-CE1 3.98Å; F593-Y705 HydrophobicContact CD1-CE1 3.98Å; F593-Y705 HydrophobicContact CD1-CG 4.26Å; F593-Y705 HydrophobicContact CD2-CD1 4.08Å; F593-Y705 HydrophobicContact CD2-CG 4.1Å; F593-Y705 AromaticContact CE1-CD1 3.99Å; F593-Y705 HydrophobicContact CE1-CD1 3.99Å; F593-Y705 HydrophobicContact CE1-CE1 4.42Å; F593-Y705 HydrophobicContact CE2-CD1 4.42Å; F593-Y705 AromaticContact CG-CD1 3.66Å; F593-Y705 HydrophobicContact CG-CD1 3.66Å; F593-Y705 HydrophobicContact CG-CE1 4.36Å; F593-Y705 AromaticContact CG-CG 3.82Å; F593-Y705 HydrophobicContact CG-CG 3.82Å; F593-Y705 HydrophobicContact CZ-CD1 4.37Å; V682-Y705 PolarHBondContact O-N 3.29Å; E683-Y705 WeakPolarHBondContact CA-O 3.06Å; E683-Y705 HydrophobicContact CB-CD1 4.48Å; E683-Y705 HydrophobicContact CG-CD1 3.97Å; T684-Y705 PolarHBondContact N-O 3.47Å; Y705-Y707 VanDerWaalsContact C-N 3.29Å; Y705-Y707 PolarHBondContact O-N 3.33Å; Y705-Y710 HydrophobicContact CD2-CD2 4.22Å; Y705-Y710 AromaticContact CD2-CE2 3.98Å; Y705-Y710 HydrophobicContact CD2-CE2 3.98Å; Y705-Y710 AromaticContact CE2-CD2 3.64Å; Y705-Y710 HydrophobicContact CE2-CD2 3.64Å; Y705-Y710 AromaticContact CE2-CE2 3.79Å; Y705-Y710 HydrophobicContact CE2-CE2 3.79Å
706	P	97.8	Very high	97.4	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.029	C	C	.	.			trans	-82.9	64.7	-175.9	34.6	-38	0	0	0	112.4	T684 F693 I704 L708 A709 Y710 Y733	T684-P706 CarbonylContact O-C 3.58Å; T684-P706 WeakPolarHBondContact O-CA 3.43Å; F693-P706 HydrophobicContact CE1-CB 3.71Å; F693-P706 HydrophobicContact CE1-CG 3.76Å; F693-P706 HydrophobicContact CZ-CB 3.57Å; F693-P706 HydrophobicContact CZ-CG 3.67Å; I704-P706 WeakPolarHBondContact O-CD 3.46Å; P706-L708 VanDerWaalsContact C-N 3.31Å; P706-L708 PolarHBondContact O-N 3.46Å; P706-L708 VanDerWaalsContact O-N 3.15Å; P706-A709 HydrophobicContact CB-CB 4.24Å; P706-A709 WeakPolarHBondContact O-CB 3.38Å; P706-A709 PolarHBondContact O-N 3.37Å; P706-Y710 HydrophobicContact CG-CD2 4.19Å; P706-Y710 HydrophobicContact CG-CE2 3.64Å; P706-Y710 PolarHBondContact O-N 2.94Å; P706-Y733 HydrophobicContact CG-CE1 4.16Å
707	Y	97.1	Very high	97.2	Very high	1 Å²	1	7.6 Å²	7.6	0%	0.004	3%	0.034	C	C	.	.	H	α-helix	trans	-53.6	-43	-166.1	81.2	-91.6	0	0	0	113.5	Y488 R647 E683 T684 A685 Y705 A709 Y710 E711	Y488-Y707 HydrophobicContact CD1-CE2 4.42Å; Y488-Y707 WeakPolarHBondContact CD1-OH 3.39Å; Y488-Y707 VanDerWaalsContact CE1-OH 3.32Å; Y488-Y707 WeakPolarHBondContact CE1-OH 3.44Å; R647-Y707 WeakPolarHBondContact CA-OH 3.41Å; R647-Y707 HydrophobicContact CB-CE1 4.14Å; R647-Y707 HydrophobicContact CG-CE1 4.37Å; R647-Y707 HydrophobicContact CG-CE2 4.28Å; E683-Y707 HydrophobicContact CG-CD1 3.74Å; E683-Y707 HydrophobicContact CG-CE1 4.38Å; E683-Y707 HydrophobicContact CG-CG 4.49Å; T684-Y707 PolarHBondContact O-N 2.83Å; A685-Y707 HydrophobicContact CB-CD1 4.49Å; A685-Y707 HydrophobicContact CB-CE1 3.63Å; A685-Y707 HydrophobicContact CB-CE2 4.49Å; A685-Y707 WeakPolarHBondContact CB-OH 3.26Å; A685-Y707 VanDerWaalsContact N-CE1 3.34Å; Y705-Y707 VanDerWaalsContact C-N 3.29Å; Y705-Y707 PolarHBondContact O-N 3.33Å; Y707-A709 VanDerWaalsContact C-N 3.31Å; Y707-A709 PolarHBondContact O-N 2.94Å; Y707-Y710 PolarHBondContact O-N 3.35Å; Y707-Y710 VanDerWaalsContact O-N 3.17Å; Y707-E711 HydrophobicContact CD2-CG 4.44Å; Y707-E711 WeakPolarHBondContact O-CG 3.38Å; Y707-E711 PolarHBondContact O-N 3.41Å
708	L	97.6	Very high	97.1	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-70.6	-26.1	-176.6	-167.7	63.2	0	0	0	113.2	L480 L485 Q489 F492 Y494 A685 P706 T712	L480-L708 HydrophobicContact CD1-CD1 4.06Å; L485-L708 HydrophobicContact CD1-CD1 3.53Å; Q489-L708 HydrophobicContact CG-CD2 4.49Å; F492-L708 HydrophobicContact CB-CD2 4.39Å; F492-L708 HydrophobicContact CD2-CD2 4.16Å; Y494-L708 HydrophobicContact CD2-CD2 4.21Å; Y494-L708 HydrophobicContact CE2-CD2 3.52Å; Y494-L708 HydrophobicContact CE2-CG 4.2Å; A685-L708 HydrophobicContact CB-CB 3.59Å; A685-L708 HydrophobicContact CB-CD2 3.54Å; A685-L708 HydrophobicContact CB-CG 4.19Å; P706-L708 VanDerWaalsContact C-N 3.31Å; P706-L708 PolarHBondContact O-N 3.46Å; P706-L708 VanDerWaalsContact O-N 3.15Å; L708-T712 VanDerWaalsContact O-CB 3.26Å; L708-T712 WeakPolarHBondContact O-CB 3.17Å; L708-T712 PolarHBondContact O-N 3.38Å; L708-T712 PolarHBondContact O-OG1 3.3Å
709	A	97.5	Very high	96.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-68.8	-40.2	172.2	0	0	0	0	0	111	P706 Y707 T712 L713 Y733	P706-A709 HydrophobicContact CB-CB 4.24Å; P706-A709 WeakPolarHBondContact O-CB 3.38Å; P706-A709 PolarHBondContact O-N 3.37Å; Y707-A709 VanDerWaalsContact C-N 3.31Å; Y707-A709 PolarHBondContact O-N 2.94Å; A709-T712 WeakPolarHBondContact O-CB 3.4Å; A709-T712 PolarHBondContact O-N 3.08Å; A709-L713 WeakPolarHBondContact O-CG 3.35Å; A709-L713 PolarHBondContact O-N 3.18Å; A709-Y733 HydrophobicContact CB-CE1 4.27Å; A709-Y733 HydrophobicContact CB-CE2 4.49Å
710	Y	96.9	Very high	96.7	Very high	13 Å²	13	21.8 Å²	21.8	5%	0.051	11%	0.108	C	C	.	.	H	α-helix	trans	-70	-42.4	175	-63.3	-51.3	0	0	0	112.8	L588 L589 Y705 P706 Y707 T712 L713 G714 M730 Y733	L588-Y710 VanDerWaalsContact O-CE2 3.28Å; L588-Y710 WeakPolarHBondContact O-CE2 3.38Å; L588-Y710 PolarHBondContact O-OH 3.37Å; L589-Y710 HydrophobicContact CD2-CE1 3.8Å; L589-Y710 HydrophobicContact CD2-CE2 4.33Å; L589-Y710 WeakPolarHBondContact CD2-OH 3.43Å; Y705-Y710 HydrophobicContact CD2-CD2 4.22Å; Y705-Y710 AromaticContact CD2-CE2 3.98Å; Y705-Y710 HydrophobicContact CD2-CE2 3.98Å; Y705-Y710 AromaticContact CE2-CD2 3.64Å; Y705-Y710 HydrophobicContact CE2-CD2 3.64Å; Y705-Y710 AromaticContact CE2-CE2 3.79Å; Y705-Y710 HydrophobicContact CE2-CE2 3.79Å; P706-Y710 HydrophobicContact CG-CD2 4.19Å; P706-Y710 HydrophobicContact CG-CE2 3.64Å; P706-Y710 PolarHBondContact O-N 2.94Å; Y707-Y710 PolarHBondContact O-N 3.35Å; Y707-Y710 VanDerWaalsContact O-N 3.17Å; Y710-T712 PolarHBondContact O-N 3.28Å; Y710-L713 HydrophobicContact CD1-CD1 4.44Å; Y710-L713 PolarHBondContact O-N 2.75Å; Y710-L713 VanDerWaalsContact O-N 3.15Å; Y710-G714 PolarHBondContact O-N 3.1Å; Y710-M730 HydrophobicContact CD1-CB 4.31Å; Y710-M730 HydrophobicContact CD1-CG 4.26Å; Y710-M730 HydrophobicContact CD1-SD 3.53Å; Y710-M730 VanDerWaalsContact CD1-SD 3.53Å; Y710-M730 HydrophobicContact CE1-CB 4.29Å; Y710-M730 HydrophobicContact CE1-SD 4.37Å; Y710-M730 HydrophobicContact CG-SD 4.23Å; Y710-M730 WeakPolarHBondContact O-CE 3.2Å; Y710-Y733 HydrophobicContact CD1-CD1 4.2Å; Y710-Y733 AromaticContact CE1-CD1 3.53Å; Y710-Y733 HydrophobicContact CE1-CD1 3.53Å; Y710-Y733 HydrophobicContact CE1-CE1 4.22Å; Y710-Y733 HydrophobicContact CE1-CG 4.32Å
711	E	97.1	Very high	96.5	Very high	11 Å²	11	23.6 Å²	23.6	5%	0.051	12%	0.123	C	C	.	.	H	α-helix	trans	-56.1	-41.4	171.9	-71.5	-68.4	133.5	0	0	111.6	R478 E479 L480 L485 Y707 G714 R715	R478-E711 WeakPolarHBondContact CB-OE2 3.3Å; E479-E711 PolarHBondContact N-OE1 3.04Å; E479-E711 PolarHBondContact N-OE2 3.35Å; E479-E711 VanDerWaalsContact N-OE2 3.1Å; L480-E711 VanDerWaalsContact CB-OE2 3.31Å; L480-E711 WeakPolarHBondContact CB-OE2 3.33Å; L480-E711 HydrophobicContact CD1-CB 4.46Å; L480-E711 HydrophobicContact CD1-CG 4.08Å; L480-E711 HydrophobicContact CG-CG 4.17Å; L480-E711 WeakPolarHBondContact CG-OE2 3.32Å; L480-E711 PolarHBondContact N-OE2 3Å; L485-E711 HydrophobicContact CD1-CB 4.02Å; Y707-E711 HydrophobicContact CD2-CG 4.44Å; Y707-E711 WeakPolarHBondContact O-CG 3.38Å; Y707-E711 PolarHBondContact O-N 3.41Å; E711-G714 PolarHBondContact O-N 3.11Å; E711-R715 PolarHBondContact O-N 2.7Å
712	T	97.5	Very high	96.3	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-64.6	-42.6	176.1	-62.5	0	0	0	0	112.4	Q489 L499 I503 L708 A709 Y710 L716	Q489-T712 PolarHBondContact NE2-OG1 2.95Å; L499-T712 HydrophobicContact CD2-CG2 3.66Å; I503-T712 HydrophobicContact CG2-CG2 4.27Å; L708-T712 VanDerWaalsContact O-CB 3.26Å; L708-T712 WeakPolarHBondContact O-CB 3.17Å; L708-T712 PolarHBondContact O-N 3.38Å; L708-T712 PolarHBondContact O-OG1 3.3Å; A709-T712 WeakPolarHBondContact O-CB 3.4Å; A709-T712 PolarHBondContact O-N 3.08Å; Y710-T712 PolarHBondContact O-N 3.28Å; T712-L716 WeakPolarHBondContact O-CG 3.14Å; T712-L716 PolarHBondContact O-N 2.97Å; T712-L716 VanDerWaalsContact O-N 3.16Å
713	L	97.2	Very high	96.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.4	-39.8	175.7	-75.7	169.1	0	0	0	112.1	I503 A709 Y710 R715 L716 V717 I722 V729 M730 Y733	I503-L713 HydrophobicContact CG2-CD1 4.44Å; I503-L713 HydrophobicContact CG2-CD2 3.8Å; I503-L713 HydrophobicContact CG2-CG 3.83Å; A709-L713 WeakPolarHBondContact O-CG 3.35Å; A709-L713 PolarHBondContact O-N 3.18Å; Y710-L713 HydrophobicContact CD1-CD1 4.44Å; Y710-L713 PolarHBondContact O-N 2.75Å; Y710-L713 VanDerWaalsContact O-N 3.15Å; L713-R715 VanDerWaalsContact C-N 3.34Å; L713-R715 PolarHBondContact O-N 2.79Å; L713-L716 HydrophobicContact CD2-CD1 4.42Å; L713-L716 WeakPolarHBondContact O-CB 3.47Å; L713-L716 PolarHBondContact O-N 3.5Å; L713-V717 PolarHBondContact O-N 2.64Å; L713-I722 HydrophobicContact CD2-CD1 4.06Å; L713-V729 HydrophobicContact CB-CG1 3.97Å; L713-V729 HydrophobicContact CD1-CG1 4.29Å; L713-V729 HydrophobicContact CD2-CG1 3.86Å; L713-V729 HydrophobicContact CG-CG1 4.27Å; L713-M730 HydrophobicContact CB-CE 4.02Å; L713-M730 HydrophobicContact CB-SD 3.91Å; L713-M730 HydrophobicContact CD1-SD 4.15Å; L713-Y733 HydrophobicContact CD1-CD1 4.44Å; L713-Y733 HydrophobicContact CD1-CD2 3.68Å; L713-Y733 HydrophobicContact CD1-CG 3.64Å
714	G	96.1	Very high	95.9	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-58.7	-46	175.4	0	0	0	0	0	111.4	Y710 E711 L716 V717 D718 Y726	Y710-G714 PolarHBondContact O-N 3.1Å; E711-G714 PolarHBondContact O-N 3.11Å; G714-L716 VanDerWaalsContact C-N 3.33Å; G714-L716 PolarHBondContact O-N 3.43Å; G714-V717 PolarHBondContact O-N 2.93Å; G714-V717 VanDerWaalsContact O-N 3.17Å; G714-D718 PolarHBondContact O-N 2.79Å; G714-Y726 VanDerWaalsContact CA-CZ 3.45Å; G714-Y726 WeakPolarHBondContact CA-OH 3.36Å; G714-Y726 PolarHBondContact O-OH 3.35Å
715	R	96.5	Very high	95.6	Very high	70 Å²	70	36.2 Å²	36.2	26%	0.264	20%	0.199	S	C	.	.	H	α-helix	trans	-55.8	-43.8	170.9	-173.6	-139.3	172.5	88.8	22.2	112.5	D482 L485 E711 L713 V717 D718 T719	D482-R715 IonicContact OD2-CZ 3.67Å; D482-R715 IonicContact OD2-NE 3.11Å; D482-R715 IonicContact OD2-NH1 3.97Å; D482-R715 PolarHBondContact OD2-NH1 3.24Å; D482-R715 IonicContact OD2-NH2 3.85Å; D482-R715 PolarHBondContact OD2-NH2 3.23Å; L485-R715 HydrophobicContact CD2-CB 3.75Å; L485-R715 HydrophobicContact CD2-CG 4.04Å; E711-R715 PolarHBondContact O-N 2.7Å; L713-R715 VanDerWaalsContact C-N 3.34Å; L713-R715 PolarHBondContact O-N 2.79Å; R715-V717 VanDerWaalsContact C-N 3.31Å; R715-V717 PolarHBondContact O-N 3.31Å; R715-D718 PolarHBondContact O-N 3.46Å; R715-T719 WeakPolarHBondContact O-CG2 3.32Å; R715-T719 PolarHBondContact O-N 2.77Å; R715-T719 PolarHBondContact O-OG1 3.01Å
716	L	96.2	Very high	95.4	Very high	30 Å²	30	37.6 Å²	37.6	16%	0.157	21%	0.205	C	C	.	.	H	α-helix	trans	-64.8	-34.7	179	-70.9	172.1	0	0	0	112.5	R504 T712 L713 G714 T719 H720 A721 I722	R504-L716 HydrophobicContact CB-CD1 4.09Å; T712-L716 WeakPolarHBondContact O-CG 3.14Å; T712-L716 PolarHBondContact O-N 2.97Å; T712-L716 VanDerWaalsContact O-N 3.16Å; L713-L716 HydrophobicContact CD2-CD1 4.42Å; L713-L716 WeakPolarHBondContact O-CB 3.47Å; L713-L716 PolarHBondContact O-N 3.5Å; G714-L716 VanDerWaalsContact C-N 3.33Å; G714-L716 PolarHBondContact O-N 3.43Å; L716-T719 PolarHBondContact O-OG1 3.01Å; L716-H720 PolarHBondContact O-N 3.41Å; L716-A721 HydrophobicContact CB-CB 4.4Å; L716-A721 HydrophobicContact CD2-CB 3.85Å; L716-A721 PolarHBondContact O-N 2.76Å; L716-I722 HydrophobicContact CB-CD1 4.11Å; L716-I722 HydrophobicContact CB-CG1 4.27Å; L716-I722 HydrophobicContact CD1-CD1 4.29Å; L716-I722 PolarHBondContact O-N 3.34Å
717	V	96.2	Very high	95.2	Very high	19 Å²	19	39.3 Å²	39.3	12%	0.115	21%	0.211	C	C	.	.	H	α-helix	trans	-68.1	-50.2	171.7	174.2	0	0	0	0	111.2	L713 G714 R715 T719 H720 K724 Y726 V729	L713-V717 PolarHBondContact O-N 2.64Å; G714-V717 PolarHBondContact O-N 2.93Å; G714-V717 VanDerWaalsContact O-N 3.17Å; R715-V717 VanDerWaalsContact C-N 3.31Å; R715-V717 PolarHBondContact O-N 3.31Å; V717-T719 VanDerWaalsContact C-N 3.27Å; V717-T719 PolarHBondContact O-N 3.2Å; V717-H720 WeakPolarHBondContact O-CA 3.29Å; V717-H720 PolarHBondContact O-N 2.64Å; V717-K724 VanDerWaalsContact CG1-O 3.31Å; V717-K724 WeakPolarHBondContact CG1-O 3.18Å; V717-Y726 HydrophobicContact CB-CD2 4.08Å; V717-Y726 HydrophobicContact CB-CE2 3.92Å; V717-Y726 HydrophobicContact CG1-CD2 3.59Å; V717-Y726 HydrophobicContact CG1-CE2 3.68Å; V717-V729 HydrophobicContact CG2-CB 4.12Å; V717-V729 HydrophobicContact CG2-CG1 4.18Å; V717-V729 HydrophobicContact CG2-CG2 3.78Å
718	D	95	Very high	95.1	Very high	65 Å²	65	41.8 Å²	41.8	35%	0.348	23%	0.227	S	C	.	.	H	α-helix	trans	-53.5	-44.3	176.8	-74.9	13.9	0	0	0	111.9	R478 G714 R715 H720 Y726	R478-D718 IonicContact CZ-OD2 3.97Å; R478-D718 IonicContact NE-OD2 3.87Å; R478-D718 PolarHBondContact NE-OD2 3Å; R478-D718 IonicContact NH2-OD2 3.64Å; R478-D718 PolarHBondContact NH2-OD2 3.1Å; R478-D718 VanDerWaalsContact NH2-OD2 3.1Å; G714-D718 PolarHBondContact O-N 2.79Å; R715-D718 PolarHBondContact O-N 3.46Å; D718-H720 PolarHBondContact O-N 3.31Å; D718-H720 PolarHBondContact O-ND1 3.32Å; D718-Y726 WeakPolarHBondContact OD1-CE2 3.42Å; D718-Y726 PolarHBondContact OD1-OH 3.28Å
719	T	93.4	Very high	95	Very high	76 Å²	76	41.8 Å²	41.8	47%	0.466	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	2.3	177.9	60.4	0	0	0	0	114.6	R715 L716 V717 A721	R715-T719 WeakPolarHBondContact O-CG2 3.32Å; R715-T719 PolarHBondContact O-N 2.77Å; R715-T719 PolarHBondContact O-OG1 3.01Å; L716-T719 PolarHBondContact O-OG1 3.01Å; V717-T719 VanDerWaalsContact C-N 3.27Å; V717-T719 PolarHBondContact O-N 3.2Å; T719-A721 PolarHBondContact O-N 3.43Å
720	H	92.4	Very high	94.9	Very high	162 Å²	162	42.5 Å²	42.5	75%	0.75	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	23.5	-178.2	-59.7	51.9	0	0	0	113.9	L716 V717 D718 I722	L716-H720 PolarHBondContact O-N 3.41Å; V717-H720 WeakPolarHBondContact O-CA 3.29Å; V717-H720 PolarHBondContact O-N 2.64Å; D718-H720 PolarHBondContact O-N 3.31Å; D718-H720 PolarHBondContact O-ND1 3.32Å; H720-I722 VanDerWaalsContact C-N 3.32Å
721	A	92.6	Very high	94.8	Very high	38 Å²	38	43.2 Å²	43.2	31%	0.314	24%	0.235	S	C	.	.	S	Bend	trans	-73.9	-26.3	173.9	0	0	0	0	0	112.1	R504 L716 T719	R504-A721 PolarHBondContact NH2-O 2.89Å; L716-A721 HydrophobicContact CB-CB 4.4Å; L716-A721 HydrophobicContact CD2-CB 3.85Å; L716-A721 PolarHBondContact O-N 2.76Å; T719-A721 PolarHBondContact O-N 3.43Å
722	I	93.3	Very high	94.8	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	24%	0.24	C	C	.	.	S	Bend	trans	-115.7	118.3	164	-58	173.6	0	0	0	107.1	R504 E508 L713 L716 H720 K724 V729	R504-I722 HydrophobicContact CG-CD1 4.05Å; R504-I722 HydrophobicContact CG-CG1 3.97Å; E508-I722 HydrophobicContact CB-CD1 4.39Å; E508-I722 HydrophobicContact CB-CG1 4.4Å; E508-I722 HydrophobicContact CB-CG2 4.18Å; E508-I722 HydrophobicContact CG-CG2 4.16Å; L713-I722 HydrophobicContact CD2-CD1 4.06Å; L716-I722 HydrophobicContact CB-CD1 4.11Å; L716-I722 HydrophobicContact CB-CG1 4.27Å; L716-I722 HydrophobicContact CD1-CD1 4.29Å; L716-I722 PolarHBondContact O-N 3.34Å; H720-I722 VanDerWaalsContact C-N 3.32Å; I722-K724 HydrophobicContact CG2-CB 4.06Å; I722-K724 HydrophobicContact CG2-CG 4.22Å; I722-K724 PolarHBondContact O-N 3.36Å; I722-V729 HydrophobicContact CD1-CG1 4.27Å; I722-V729 HydrophobicContact CG2-CG2 3.78Å
723	A	93.4	Very high	94.8	Very high	99 Å²	99	44.1 Å²	44.1	82%	0.818	24%	0.24	S	C	*	.			trans	-83.5	54.6	-179.1	0	0	0	0	0	112.3
724	K	94.1	Very high	94.8	Very high	88 Å²	88	45.4 Å²	45.4	38%	0.383	25%	0.245	S	C	.	.	S	Bend	trans	-143.7	158.8	179.1	-61.2	-175.6	-177	-177.7	0	109.7	E508 V717 I722 T728 V729	E508-K724 PolarHBondContact O-NZ 2.76Å; V717-K724 VanDerWaalsContact CG1-O 3.31Å; V717-K724 WeakPolarHBondContact CG1-O 3.18Å; I722-K724 HydrophobicContact CG2-CB 4.06Å; I722-K724 HydrophobicContact CG2-CG 4.22Å; I722-K724 PolarHBondContact O-N 3.36Å; K724-T728 HydrophobicContact CD-CG2 4.07Å; K724-V729 HydrophobicContact CB-CG2 3.72Å
725	D	92.7	Very high	94.8	Very high	77 Å²	77	48.5 Å²	48.5	41%	0.412	26%	0.261	S	S	.	.			trans	-77	164.5	179.5	72.1	-58.1	0	0	0	112.9	R727 T728 V729	D725-R727 VanDerWaalsContact C-N 3.34Å; D725-R727 PolarHBondContact O-N 3.05Å; D725-R727 VanDerWaalsContact OD2-CB 3.23Å; D725-R727 WeakPolarHBondContact OD2-CB 3.49Å; D725-R727 PolarHBondContact OD2-N 2.73Å; D725-R727 VanDerWaalsContact OD2-N 3.14Å; D725-T728 PolarHBondContact O-N 3.01Å; D725-T728 WeakPolarHBondContact OD1-CB 3.46Å; D725-T728 PolarHBondContact OD1-OG1 3.27Å; D725-T728 PolarHBondContact OD2-N 2.81Å; D725-V729 WeakPolarHBondContact O-CG2 3.31Å; D725-V729 PolarHBondContact O-N 2.84Å; D725-V729 VanDerWaalsContact O-N 3.07Å
726	Y	93	Very high	94.8	Very high	37 Å²	37	45.2 Å²	45.2	15%	0.145	25%	0.249	C	C	.	.	H	α-helix	trans	-55	-45.5	179.2	-89.8	-114.2	0	0	0	112.2	G714 V717 D718 T728 V729 M730	G714-Y726 VanDerWaalsContact CA-CZ 3.45Å; G714-Y726 WeakPolarHBondContact CA-OH 3.36Å; G714-Y726 PolarHBondContact O-OH 3.35Å; V717-Y726 HydrophobicContact CB-CD2 4.08Å; V717-Y726 HydrophobicContact CB-CE2 3.92Å; V717-Y726 HydrophobicContact CG1-CD2 3.59Å; V717-Y726 HydrophobicContact CG1-CE2 3.68Å; D718-Y726 WeakPolarHBondContact OD1-CE2 3.42Å; D718-Y726 PolarHBondContact OD1-OH 3.28Å; Y726-T728 PolarHBondContact O-N 2.74Å; Y726-V729 PolarHBondContact O-N 2.8Å; Y726-M730 HydrophobicContact CD1-CE 3.67Å; Y726-M730 HydrophobicContact CE1-CE 4.05Å; Y726-M730 HydrophobicContact CG-CE 4.45Å; Y726-M730 VanDerWaalsContact O-CG 3.3Å; Y726-M730 WeakPolarHBondContact O-CG 3.46Å; Y726-M730 PolarHBondContact O-N 3.47Å
727	R	93.1	Very high	94.9	Very high	35 Å²	35	43.8 Å²	43.8	13%	0.132	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-50.3	-175.7	-170.7	-166.7	-66.9	-100.4	-5.3	110.6	F467 E468 L470 D472 V475 D725 V729 L731	F467-R727 HydrophobicContact CD1-CG 4.21Å; F467-R727 HydrophobicContact CE1-CB 4.32Å; F467-R727 HydrophobicContact CE1-CG 3.76Å; F467-R727 PolarHBondContact O-NH1 3.49Å; E468-R727 PolarHBondContact O-NH1 2.8Å; L470-R727 VanDerWaalsContact O-CZ 3.26Å; L470-R727 PolarHBondContact O-NH1 3.12Å; L470-R727 PolarHBondContact O-NH2 2.92Å; D472-R727 IonicContact OD1-CZ 3.66Å; D472-R727 IonicContact OD1-NE 2.69Å; D472-R727 PolarHBondContact OD1-NE 3.16Å; D472-R727 IonicContact OD1-NH2 2.74Å; D472-R727 PolarHBondContact OD1-NH2 2.93Å; V475-R727 HydrophobicContact CG1-CB 4.24Å; V475-R727 HydrophobicContact CG2-CB 4.33Å; V475-R727 HydrophobicContact CG2-CG 4.48Å; V475-R727 VanDerWaalsContact CG2-NH2 3.34Å; D725-R727 VanDerWaalsContact C-N 3.34Å; D725-R727 PolarHBondContact O-N 3.05Å; D725-R727 VanDerWaalsContact OD2-CB 3.23Å; D725-R727 WeakPolarHBondContact OD2-CB 3.49Å; D725-R727 PolarHBondContact OD2-N 2.73Å; D725-R727 VanDerWaalsContact OD2-N 3.14Å; R727-V729 PolarHBondContact O-N 2.9Å; R727-L731 HydrophobicContact CG-CD1 4.02Å; R727-L731 WeakPolarHBondContact O-CB 3.11Å; R727-L731 VanDerWaalsContact O-CG 3.3Å; R727-L731 WeakPolarHBondContact O-CG 3.26Å; R727-L731 PolarHBondContact O-N 2.86Å; R727-L731 VanDerWaalsContact O-N 3.09Å
728	T	94.5	Very high	94.9	Very high	54 Å²	54	43.8 Å²	43.8	33%	0.331	24%	0.241	S	C	.	.	H	α-helix	trans	-61.8	-43.5	178.5	-58	0	0	0	0	112	K724 D725 Y726 N732	K724-T728 HydrophobicContact CD-CG2 4.07Å; D725-T728 PolarHBondContact O-N 3.01Å; D725-T728 WeakPolarHBondContact OD1-CB 3.46Å; D725-T728 PolarHBondContact OD1-OG1 3.27Å; D725-T728 PolarHBondContact OD2-N 2.81Å; Y726-T728 PolarHBondContact O-N 2.74Å; T728-N732 VanDerWaalsContact O-CB 3.28Å; T728-N732 WeakPolarHBondContact O-CB 3.1Å; T728-N732 PolarHBondContact O-N 3.28Å; T728-N732 PolarHBondContact O-ND2 2.86Å
729	V	96.5	Very high	94.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-68.2	-42.7	-176.5	173.2	0	0	0	0	112.3	L713 V717 I722 K724 D725 Y726 R727 N732 Y733	L713-V729 HydrophobicContact CB-CG1 3.97Å; L713-V729 HydrophobicContact CD1-CG1 4.29Å; L713-V729 HydrophobicContact CD2-CG1 3.86Å; L713-V729 HydrophobicContact CG-CG1 4.27Å; V717-V729 HydrophobicContact CG2-CB 4.12Å; V717-V729 HydrophobicContact CG2-CG1 4.18Å; V717-V729 HydrophobicContact CG2-CG2 3.78Å; I722-V729 HydrophobicContact CD1-CG1 4.27Å; I722-V729 HydrophobicContact CG2-CG2 3.78Å; K724-V729 HydrophobicContact CB-CG2 3.72Å; D725-V729 WeakPolarHBondContact O-CG2 3.31Å; D725-V729 PolarHBondContact O-N 2.84Å; D725-V729 VanDerWaalsContact O-N 3.07Å; Y726-V729 PolarHBondContact O-N 2.8Å; R727-V729 PolarHBondContact O-N 2.9Å; V729-N732 PolarHBondContact O-N 3.19Å; V729-Y733 PolarHBondContact O-N 3.07Å
730	M	95.6	Very high	95	Very high	15 Å²	15	42 Å²	42	7%	0.074	22%	0.223	C	C	.	.	H	α-helix	trans	-70.3	-37.8	178.3	-54.9	-43.1	172.9	0	0	111.8	F467 L589 Y710 L713 Y726 Y733 R734	F467-M730 HydrophobicContact CE1-CB 4.4Å; F467-M730 HydrophobicContact CZ-CB 4.41Å; L589-M730 HydrophobicContact CD2-CB 3.68Å; Y710-M730 HydrophobicContact CD1-CB 4.31Å; Y710-M730 HydrophobicContact CD1-CG 4.26Å; Y710-M730 HydrophobicContact CD1-SD 3.53Å; Y710-M730 VanDerWaalsContact CD1-SD 3.53Å; Y710-M730 HydrophobicContact CE1-CB 4.29Å; Y710-M730 HydrophobicContact CE1-SD 4.37Å; Y710-M730 HydrophobicContact CG-SD 4.23Å; Y710-M730 WeakPolarHBondContact O-CE 3.2Å; L713-M730 HydrophobicContact CB-CE 4.02Å; L713-M730 HydrophobicContact CB-SD 3.91Å; L713-M730 HydrophobicContact CD1-SD 4.15Å; Y726-M730 HydrophobicContact CD1-CE 3.67Å; Y726-M730 HydrophobicContact CE1-CE 4.05Å; Y726-M730 HydrophobicContact CG-CE 4.45Å; Y726-M730 VanDerWaalsContact O-CG 3.3Å; Y726-M730 WeakPolarHBondContact O-CG 3.46Å; Y726-M730 PolarHBondContact O-N 3.47Å; M730-Y733 PolarHBondContact O-N 3.11Å; M730-R734 PolarHBondContact O-N 3.47Å
731	L	95.3	Very high	95.3	Very high	27 Å²	27	34.3 Å²	34.3	14%	0.141	19%	0.188	C	C	.	.	H	α-helix	trans	-63	-44.3	172.4	-77.4	173.7	0	0	0	112.1	F467 E468 L589 R727 Y733 R734 N735	F467-L731 HydrophobicContact CD1-CD1 4.26Å; F467-L731 HydrophobicContact CD1-CD2 3.82Å; F467-L731 HydrophobicContact CD1-CG 3.78Å; F467-L731 HydrophobicContact CE1-CG 4.04Å; E468-L731 HydrophobicContact CB-CD1 4.34Å; L589-L731 HydrophobicContact CD1-CD2 4.18Å; R727-L731 HydrophobicContact CG-CD1 4.02Å; R727-L731 WeakPolarHBondContact O-CB 3.11Å; R727-L731 VanDerWaalsContact O-CG 3.3Å; R727-L731 WeakPolarHBondContact O-CG 3.26Å; R727-L731 PolarHBondContact O-N 2.86Å; R727-L731 VanDerWaalsContact O-N 3.09Å; L731-Y733 PolarHBondContact O-N 2.92Å; L731-R734 PolarHBondContact O-N 2.9Å; L731-N735 VanDerWaalsContact O-CB 3.27Å; L731-N735 WeakPolarHBondContact O-CB 3.36Å; L731-N735 PolarHBondContact O-N 2.84Å; L731-N735 PolarHBondContact O-ND2 3.27Å
732	N	97.1	Very high	95.5	Very high	31 Å²	31	35 Å²	35	17%	0.166	18%	0.182	C	C	.	.	H	α-helix	trans	-58	-48.2	175	-79.3	-14.9	0	0	0	111.1	L506 G507 E508 G510 T728 V729 N735 G736	L506-N732 CarbonylContact O-C 3.59Å; G507-N732 WeakPolarHBondContact O-CB 3.37Å; G507-N732 PolarHBondContact O-ND2 2.76Å; E508-N732 PolarHBondContact O-ND2 3.01Å; G510-N732 WeakPolarHBondContact CA-O 3.45Å; T728-N732 VanDerWaalsContact O-CB 3.28Å; T728-N732 WeakPolarHBondContact O-CB 3.1Å; T728-N732 PolarHBondContact O-N 3.28Å; T728-N732 PolarHBondContact O-ND2 2.86Å; V729-N732 PolarHBondContact O-N 3.19Å; N732-N735 PolarHBondContact O-N 2.76Å; N732-G736 PolarHBondContact O-N 3.11Å
733	Y	97.8	Very high	95.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.4	-51.9	177.3	-177.3	-93.8	0	0	0	111.5	L506 R688 F693 P706 A709 Y710 L713 V729 M730 L731 N735 G736 I737	L506-Y733 HydrophobicContact CB-CD2 3.64Å; L506-Y733 HydrophobicContact CB-CE2 4.11Å; L506-Y733 HydrophobicContact CD1-CD2 4.25Å; L506-Y733 HydrophobicContact CD1-CE2 3.85Å; R688-Y733 VanDerWaalsContact CA-OH 3.29Å; R688-Y733 WeakPolarHBondContact CA-OH 3.42Å; R688-Y733 PolarHBondContact O-OH 3Å; F693-Y733 HydrophobicContact CZ-CE1 4.36Å; P706-Y733 HydrophobicContact CG-CE1 4.16Å; A709-Y733 HydrophobicContact CB-CE1 4.27Å; A709-Y733 HydrophobicContact CB-CE2 4.49Å; Y710-Y733 HydrophobicContact CD1-CD1 4.2Å; Y710-Y733 AromaticContact CE1-CD1 3.53Å; Y710-Y733 HydrophobicContact CE1-CD1 3.53Å; Y710-Y733 HydrophobicContact CE1-CE1 4.22Å; Y710-Y733 HydrophobicContact CE1-CG 4.32Å; L713-Y733 HydrophobicContact CD1-CD1 4.44Å; L713-Y733 HydrophobicContact CD1-CD2 3.68Å; L713-Y733 HydrophobicContact CD1-CG 3.64Å; V729-Y733 PolarHBondContact O-N 3.07Å; M730-Y733 PolarHBondContact O-N 3.11Å; L731-Y733 PolarHBondContact O-N 2.92Å; Y733-N735 VanDerWaalsContact C-N 3.29Å; Y733-N735 PolarHBondContact O-N 3.04Å; Y733-G736 PolarHBondContact O-N 3.23Å; Y733-I737 HydrophobicContact CD1-CG1 4.18Å; Y733-I737 HydrophobicContact CE1-CD1 4.38Å; Y733-I737 HydrophobicContact CE1-CG1 3.76Å; Y733-I737 HydrophobicContact CE2-CD1 4.23Å; Y733-I737 HydrophobicContact CE2-CG1 4.33Å; Y733-I737 WeakPolarHBondContact O-CG1 3.38Å; Y733-I737 PolarHBondContact O-N 3.37Å
734	R	97.2	Very high	95.7	Very high	27 Å²	27	31.1 Å²	31.1	10%	0.102	15%	0.148	C	C	.	.	H	α-helix	trans	-53.5	-45.7	175.6	-176.4	177	71.3	176.9	-0.6	111.7	E468 I587 D592 M730 L731 I737 N738	E468-R734 IonicContact OE1-NH2 3.72Å; E468-R734 IonicContact OE2-NH2 2.79Å; E468-R734 PolarHBondContact OE2-NH2 3.33Å; I587-R734 HydrophobicContact CB-CG 4.23Å; I587-R734 HydrophobicContact CG2-CG 4.22Å; I587-R734 WeakPolarHBondContact O-CD 3.41Å; D592-R734 IonicContact OD2-NH1 3.45Å; D592-R734 PolarHBondContact OD2-NH1 2.9Å; M730-R734 PolarHBondContact O-N 3.47Å; L731-R734 PolarHBondContact O-N 2.9Å; R734-I737 PolarHBondContact O-N 2.77Å; R734-N738 WeakPolarHBondContact O-CB 3.28Å; R734-N738 PolarHBondContact O-N 2.8Å; R734-N738 PolarHBondContact O-ND2 2.94Å
735	N	95.6	Very high	95.8	Very high	67 Å²	67	27 Å²	27	36%	0.358	13%	0.13	S	C	.	.	H	α-helix	trans	-71.2	-35	-178.2	-68.5	-18.9	0	0	0	112.9	L731 N732 Y733 N738 K739	L731-N735 VanDerWaalsContact O-CB 3.27Å; L731-N735 WeakPolarHBondContact O-CB 3.36Å; L731-N735 PolarHBondContact O-N 2.84Å; L731-N735 PolarHBondContact O-ND2 3.27Å; N732-N735 PolarHBondContact O-N 2.76Å; Y733-N735 VanDerWaalsContact C-N 3.29Å; Y733-N735 PolarHBondContact O-N 3.04Å; N735-N738 PolarHBondContact O-N 3.48Å; N735-K739 WeakPolarHBondContact O-CG 3.37Å; N735-K739 PolarHBondContact O-N 3.3Å
736	G	96.2	Very high	95.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65.3	-43.1	172.7	0	0	0	0	0	111.9	N732 Y733 K739 G740	N732-G736 PolarHBondContact O-N 3.11Å; Y733-G736 PolarHBondContact O-N 3.23Å; G736-K739 PolarHBondContact O-N 2.88Å; G736-G740 PolarHBondContact O-N 3.15Å; G736-G740 VanDerWaalsContact O-N 3.07Å
737	I	98	Very high	96	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.3	-44	171.9	-59.8	-54.2	0	0	0	111.2	L506 I587 P690 F693 Y733 R734 K739 G740 L741	L506-I737 HydrophobicContact CD1-CD1 3.87Å; L506-I737 HydrophobicContact CD2-CD1 4.41Å; I587-I737 HydrophobicContact CD1-CG2 3.89Å; I587-I737 HydrophobicContact CG1-CB 4.42Å; I587-I737 HydrophobicContact CG1-CG2 3.71Å; P690-I737 HydrophobicContact CG-CD1 3.78Å; F693-I737 HydrophobicContact CB-CG2 4.33Å; F693-I737 HydrophobicContact CD2-CB 4.43Å; F693-I737 HydrophobicContact CD2-CD1 3.99Å; F693-I737 HydrophobicContact CD2-CG1 4.18Å; F693-I737 HydrophobicContact CD2-CG2 3.36Å; F693-I737 HydrophobicContact CE2-CB 4.43Å; F693-I737 HydrophobicContact CE2-CD1 3.62Å; F693-I737 HydrophobicContact CE2-CG1 3.75Å; F693-I737 HydrophobicContact CE2-CG2 3.77Å; F693-I737 HydrophobicContact CG-CG2 3.87Å; F693-I737 HydrophobicContact CZ-CG1 4.45Å; Y733-I737 HydrophobicContact CD1-CG1 4.18Å; Y733-I737 HydrophobicContact CE1-CD1 4.38Å; Y733-I737 HydrophobicContact CE1-CG1 3.76Å; Y733-I737 HydrophobicContact CE2-CD1 4.23Å; Y733-I737 HydrophobicContact CE2-CG1 4.33Å; Y733-I737 WeakPolarHBondContact O-CG1 3.38Å; Y733-I737 PolarHBondContact O-N 3.37Å; R734-I737 PolarHBondContact O-N 2.77Å; I737-K739 PolarHBondContact O-N 3.47Å; I737-G740 CarbonylContact O-C 3.54Å; I737-G740 WeakPolarHBondContact O-CA 3.31Å; I737-G740 PolarHBondContact O-N 3.02Å; I737-G740 VanDerWaalsContact O-N 3.11Å; I737-L741 HydrophobicContact CG2-CD1 4.3Å; I737-L741 HydrophobicContact CG2-CG 4.29Å; I737-L741 PolarHBondContact O-N 2.83Å
738	N	97.3	Very high	96	Very high	20 Å²	20	20.1 Å²	20.1	11%	0.107	10%	0.098	C	C	.	.	H	α-helix	trans	-57.9	-46.2	177.2	-72.9	-23.5	0	0	0	112.4	L560 S585 R734 N735 G740 L741 Y742	L560-N738 HydrophobicContact CD1-CB 3.66Å; L560-N738 WeakPolarHBondContact CD1-OD1 3.42Å; S585-N738 WeakPolarHBondContact CB-OD1 3.41Å; S585-N738 PolarHBondContact OG-OD1 2.97Å; R734-N738 WeakPolarHBondContact O-CB 3.28Å; R734-N738 PolarHBondContact O-N 2.8Å; R734-N738 PolarHBondContact O-ND2 2.94Å; N735-N738 PolarHBondContact O-N 3.48Å; N738-G740 VanDerWaalsContact C-N 3.31Å; N738-G740 PolarHBondContact O-N 3.05Å; N738-L741 PolarHBondContact O-N 3.08Å; N738-Y742 WeakPolarHBondContact O-CD2 3.2Å; N738-Y742 PolarHBondContact O-N 2.78Å
739	K	95.1	Very high	95.9	Very high	102 Å²	102	17.6 Å²	17.6	44%	0.443	8%	0.082	S	C	.	.	H	α-helix	trans	-58.7	-43.2	173.8	-72.5	171.9	-177.5	171	0	111.7	G510 N735 G736 I737 Y742 K743	G510-K739 PolarHBondContact O-NZ 3.17Å; N735-K739 WeakPolarHBondContact O-CG 3.37Å; N735-K739 PolarHBondContact O-N 3.3Å; G736-K739 PolarHBondContact O-N 2.88Å; I737-K739 PolarHBondContact O-N 3.47Å; K739-Y742 PolarHBondContact O-N 3.38Å; K739-K743 WeakPolarHBondContact O-CB 3.38Å; K739-K743 PolarHBondContact O-N 3.33Å
740	G	95.3	Very high	95.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.5	-38.6	175.8	0	0	0	0	0	113.3	E512 G736 I737 N738 K743 I744	E512-G740 WeakPolarHBondContact OE2-CA 3.38Å; G736-G740 PolarHBondContact O-N 3.15Å; G736-G740 VanDerWaalsContact O-N 3.07Å; I737-G740 CarbonylContact O-C 3.54Å; I737-G740 WeakPolarHBondContact O-CA 3.31Å; I737-G740 PolarHBondContact O-N 3.02Å; I737-G740 VanDerWaalsContact O-N 3.11Å; N738-G740 VanDerWaalsContact C-N 3.31Å; N738-G740 PolarHBondContact O-N 3.05Å; G740-K743 PolarHBondContact O-N 3.18Å; G740-I744 WeakPolarHBondContact O-CD1 3.23Å; G740-I744 WeakPolarHBondContact O-CG1 3.26Å; G740-I744 PolarHBondContact O-N 3.41Å
741	L	97.6	Very high	95.8	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-66.8	-47	174.9	-73.9	178.7	0	0	0	112.2	L560 P586 I587 F693 A694 L697 I737 N738 K743 I744 M745	L560-L741 HydrophobicContact CD1-CB 4.22Å; L560-L741 HydrophobicContact CD1-CD1 4.42Å; L560-L741 HydrophobicContact CD2-CB 4.04Å; L560-L741 HydrophobicContact CD2-CD1 4.41Å; P586-L741 HydrophobicContact CG-CD1 4.06Å; I587-L741 HydrophobicContact CD1-CD1 3.98Å; I587-L741 HydrophobicContact CG1-CD1 4.03Å; F693-L741 HydrophobicContact CB-CD2 4.08Å; A694-L741 HydrophobicContact CB-CD2 3.98Å; L697-L741 HydrophobicContact CD1-CD1 3.95Å; L697-L741 HydrophobicContact CD1-CD2 4.06Å; I737-L741 HydrophobicContact CG2-CD1 4.3Å; I737-L741 HydrophobicContact CG2-CG 4.29Å; I737-L741 PolarHBondContact O-N 2.83Å; N738-L741 PolarHBondContact O-N 3.08Å; L741-K743 VanDerWaalsContact C-N 3.28Å; L741-K743 PolarHBondContact O-N 3.49Å; L741-I744 PolarHBondContact O-N 2.93Å; L741-I744 VanDerWaalsContact O-N 3.14Å; L741-M745 WeakPolarHBondContact O-CG 3.49Å; L741-M745 PolarHBondContact O-N 3.03Å
742	Y	96.2	Very high	95.8	Very high	52 Å²	52	15.8 Å²	15.8	20%	0.204	7%	0.073	C	C	.	.	H	α-helix	trans	-53.9	-47.7	173.3	-77.1	-58.1	0	0	0	110.7	M558 L560 N738 K739 I744 M745 S746	M558-Y742 HydrophobicContact CB-CD1 3.66Å; M558-Y742 HydrophobicContact CB-CE1 3.59Å; M558-Y742 HydrophobicContact CE-CD1 4.1Å; M558-Y742 HydrophobicContact CG-CD1 4.42Å; M558-Y742 HydrophobicContact SD-CD1 3.87Å; M558-Y742 HydrophobicContact SD-CG 4.44Å; L560-Y742 HydrophobicContact CB-CE1 4.48Å; L560-Y742 HydrophobicContact CD1-CD2 4.01Å; L560-Y742 HydrophobicContact CD1-CE1 4.3Å; L560-Y742 HydrophobicContact CD1-CE2 3.71Å; L560-Y742 HydrophobicContact CD1-CG 4.42Å; L560-Y742 HydrophobicContact CD2-CD1 4.44Å; L560-Y742 HydrophobicContact CD2-CE1 4.33Å; L560-Y742 HydrophobicContact CG-CD1 4.11Å; L560-Y742 HydrophobicContact CG-CD2 4.38Å; L560-Y742 HydrophobicContact CG-CE1 3.64Å; L560-Y742 HydrophobicContact CG-CE2 3.94Å; L560-Y742 HydrophobicContact CG-CG 4.45Å; L560-Y742 PolarHBondContact N-OH 2.89Å; N738-Y742 WeakPolarHBondContact O-CD2 3.2Å; N738-Y742 PolarHBondContact O-N 2.78Å; K739-Y742 PolarHBondContact O-N 3.38Å; Y742-I744 PolarHBondContact O-N 3.47Å; Y742-M745 PolarHBondContact O-N 3.14Å; Y742-S746 VanDerWaalsContact O-CB 3.25Å; Y742-S746 WeakPolarHBondContact O-CB 3.31Å; Y742-S746 PolarHBondContact O-N 3.21Å; Y742-S746 PolarHBondContact O-OG 3Å
743	K	95.2	Very high	95.7	Very high	16 Å²	16	14.3 Å²	14.3	7%	0.07	7%	0.066	C	C	.	.	H	α-helix	trans	-58.6	-45.4	175.3	-173.2	-164.2	78.2	-174	0	113	E512 P551 K739 G740 L741 S746 K747 E971 P1065 S1067 S1068	E512-K743 IonicContact OE1-NZ 2.66Å; E512-K743 PolarHBondContact OE1-NZ 3.18Å; E512-K743 IonicContact OE2-NZ 3.45Å; E512-K743 PolarHBondContact OE2-NZ 3.43Å; P551-K743 HydrophobicContact CG-CB 4.31Å; K739-K743 WeakPolarHBondContact O-CB 3.38Å; K739-K743 PolarHBondContact O-N 3.33Å; G740-K743 PolarHBondContact O-N 3.18Å; L741-K743 VanDerWaalsContact C-N 3.28Å; L741-K743 PolarHBondContact O-N 3.49Å; K743-S746 PolarHBondContact O-N 3.32Å; K743-S746 PolarHBondContact O-OG 3.11Å; K743-S746 VanDerWaalsContact O-OG 3.08Å; K743-K747 WeakPolarHBondContact O-CG 3.48Å; K743-K747 PolarHBondContact O-N 2.65Å; K743-K747 VanDerWaalsContact O-N 3.16Å; K743-E971 HydrophobicContact CG-CG 4.25Å; K743-P1065 HydrophobicContact CD-CG 4.24Å; K743-S1067 PolarHBondContact NZ-OG 3.32Å; K743-S1068 PolarHBondContact NZ-OG 3.16Å
744	I	96.3	Very high	95.5	Very high	5 Å²	5	15.6 Å²	15.6	3%	0.026	8%	0.076	C	C	.	.	H	α-helix	trans	-66.5	-42.1	-179	-67.6	162.7	0	0	0	111.3	Q539 P690 A694 G740 L741 Y742 K747	Q539-I744 HydrophobicContact CG-CG2 4.19Å; Q539-I744 VanDerWaalsContact NE2-CD1 3.29Å; P690-I744 HydrophobicContact CB-CD1 3.92Å; P690-I744 WeakPolarHBondContact O-CD1 3.31Å; A694-I744 HydrophobicContact CB-CB 4.47Å; A694-I744 HydrophobicContact CB-CD1 3.86Å; A694-I744 HydrophobicContact CB-CG2 3.85Å; G740-I744 WeakPolarHBondContact O-CD1 3.23Å; G740-I744 WeakPolarHBondContact O-CG1 3.26Å; G740-I744 PolarHBondContact O-N 3.41Å; L741-I744 PolarHBondContact O-N 2.93Å; L741-I744 VanDerWaalsContact O-N 3.14Å; Y742-I744 PolarHBondContact O-N 3.47Å; I744-K747 WeakPolarHBondContact O-CB 3.13Å; I744-K747 PolarHBondContact O-N 2.84Å
745	M	96.3	Very high	95.3	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-64.2	-43	174.7	-67.5	165.2	43.8	0	0	111.7	M558 L560 L741 Y742 K747 M748 G749 I750 S751 I753 Y756	M558-M745 HydrophobicContact CE-CB 4.27Å; M558-M745 HydrophobicContact CE-CE 4.31Å; L560-M745 HydrophobicContact CD2-SD 3.67Å; L741-M745 WeakPolarHBondContact O-CG 3.49Å; L741-M745 PolarHBondContact O-N 3.03Å; Y742-M745 PolarHBondContact O-N 3.14Å; M745-K747 PolarHBondContact O-N 3.32Å; M745-M748 PolarHBondContact O-N 3.02Å; M745-G749 PolarHBondContact O-N 2.72Å; M745-I750 CarbonylContact C-O 3.52Å; M745-I750 HydrophobicContact CB-CB 4.39Å; M745-I750 WeakPolarHBondContact CB-O 3.41Å; M745-I750 PolarHBondContact O-N 2.9Å; M745-S751 WeakPolarHBondContact CE-O 3.18Å; M745-I753 HydrophobicContact CE-CB 4.48Å; M745-I753 HydrophobicContact SD-CB 4.23Å; M745-I753 HydrophobicContact SD-CD1 3.63Å; M745-Y756 HydrophobicContact CB-CD2 4.34Å; M745-Y756 HydrophobicContact CG-CD1 4.35Å; M745-Y756 HydrophobicContact CG-CD2 3.72Å; M745-Y756 HydrophobicContact CG-CE2 4.28Å; M745-Y756 HydrophobicContact CG-CG 3.76Å
746	S	95.2	Very high	95.4	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-66.3	-24.8	-177.1	84.7	0	0	0	0	112.8	P548 I549 P551 Y742 K743 M748 G749	P548-S746 CarbonylContact C-O 3.59Å; P548-S746 WeakPolarHBondContact CA-O 3.27Å; P548-S746 WeakPolarHBondContact CB-O 3.26Å; I549-S746 PolarHBondContact N-O 3.37Å; I549-S746 VanDerWaalsContact O-CB 3.26Å; I549-S746 WeakPolarHBondContact O-CB 3.41Å; I549-S746 PolarHBondContact O-OG 2.69Å; P551-S746 WeakPolarHBondContact CD-OG 3.4Å; Y742-S746 VanDerWaalsContact O-CB 3.25Å; Y742-S746 WeakPolarHBondContact O-CB 3.31Å; Y742-S746 PolarHBondContact O-N 3.21Å; Y742-S746 PolarHBondContact O-OG 3Å; K743-S746 PolarHBondContact O-N 3.32Å; K743-S746 PolarHBondContact O-OG 3.11Å; K743-S746 VanDerWaalsContact O-OG 3.08Å; S746-M748 PolarHBondContact O-N 2.83Å; S746-G749 WeakPolarHBondContact O-CA 3.36Å; S746-G749 PolarHBondContact O-N 3.15Å
747	K	95.1	Very high	95.3	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-37.4	172.3	-75	178.8	-177.4	-174.3	0	113.5	F541 A542 K743 I744 M745 E971 S1068	F541-K747 HydrophobicContact CB-CB 4.05Å; A542-K747 VanDerWaalsContact CB-O 3.31Å; A542-K747 WeakPolarHBondContact CB-O 3.26Å; A542-K747 PolarHBondContact N-O 3.45Å; K743-K747 WeakPolarHBondContact O-CG 3.48Å; K743-K747 PolarHBondContact O-N 2.65Å; K743-K747 VanDerWaalsContact O-N 3.16Å; I744-K747 WeakPolarHBondContact O-CB 3.13Å; I744-K747 PolarHBondContact O-N 2.84Å; M745-K747 PolarHBondContact O-N 3.32Å; K747-E971 WeakPolarHBondContact CE-OE1 3.44Å; K747-E971 HydrophobicContact CG-CG 4.4Å; K747-E971 IonicContact NZ-OE1 3.36Å; K747-E971 PolarHBondContact NZ-OE1 2.93Å; K747-S1068 PolarHBondContact NZ-OG 3.46Å
748	M	93.2	Very high	95.2	Very high	4 Å²	4	12.3 Å²	12.3	2%	0.02	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-1.1	176.3	-170.4	53.1	78.5	0	0	112.1	N273 Q540 F541 A542 N546 M745 S746 I750 L761	N273-M748 HydrophobicContact CB-CG 4.18Å; N273-M748 PolarHBondContact ND2-O 3.34Å; Q540-M748 HydrophobicContact CB-CE 3.66Å; F541-M748 VanDerWaalsContact C-CE 3.42Å; F541-M748 VanDerWaalsContact O-CE 3.23Å; F541-M748 WeakPolarHBondContact O-CE 3.14Å; A542-M748 HydrophobicContact CB-SD 4.23Å; N546-M748 PolarHBondContact ND2-O 2.75Å; M745-M748 PolarHBondContact O-N 3.02Å; S746-M748 PolarHBondContact O-N 2.83Å; M748-I750 HydrophobicContact CB-CD1 4.06Å; M748-I750 HydrophobicContact CB-CG1 4.2Å; M748-I750 HydrophobicContact CG-CD1 4.01Å; M748-I750 HydrophobicContact CG-CG1 4.29Å; M748-L761 HydrophobicContact CB-CD1 4.38Å; M748-L761 HydrophobicContact CE-CD2 4.25Å; M748-L761 HydrophobicContact CG-CD1 4Å; M748-L761 HydrophobicContact CG-CD2 4.44Å
749	G	92.7	Very high	95	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.01	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	26.6	-174	0	0	0	0	0	113.7	N273 P547 I549 M745 S746	N273-G749 PolarHBondContact ND2-O 3.04Å; P547-G749 WeakPolarHBondContact O-CA 3.44Å; I549-G749 VanDerWaalsContact CD1-C 3.47Å; I549-G749 WeakPolarHBondContact CD1-O 3.36Å; M745-G749 PolarHBondContact O-N 2.72Å; S746-G749 WeakPolarHBondContact O-CA 3.36Å; S746-G749 PolarHBondContact O-N 3.15Å
750	I	95.2	Very high	94.9	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.038	C	C	.	.			trans	-96.4	126.8	-177.6	-61.6	173	0	0	0	110.1	N273 T274 M558 M745 M748 Y756 L761	N273-I750 WeakPolarHBondContact OD1-CG1 3.32Å; T274-I750 HydrophobicContact CG2-CD1 3.8Å; T274-I750 HydrophobicContact CG2-CG1 3.82Å; T274-I750 HydrophobicContact CG2-CG2 3.98Å; M558-I750 WeakPolarHBondContact CE-O 3.49Å; M745-I750 CarbonylContact C-O 3.52Å; M745-I750 HydrophobicContact CB-CB 4.39Å; M745-I750 WeakPolarHBondContact CB-O 3.41Å; M745-I750 PolarHBondContact O-N 2.9Å; M748-I750 HydrophobicContact CB-CD1 4.06Å; M748-I750 HydrophobicContact CB-CG1 4.2Å; M748-I750 HydrophobicContact CG-CD1 4.01Å; M748-I750 HydrophobicContact CG-CG1 4.29Å; I750-Y756 HydrophobicContact CD1-CD2 4.09Å; I750-L761 HydrophobicContact CD1-CD1 3.25Å
751	S	94.1	Very high	94.8	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.041	C	C	.	.			trans	-88.9	-34.4	-174.6	-39.6	0	0	0	0	112.4	D365 R384 N385 I549 M558 S559 M745	D365-S751 PolarHBondContact OD1-OG 2.79Å; D365-S751 WeakPolarHBondContact OD2-CA 3.3Å; D365-S751 WeakPolarHBondContact OD2-CB 3.48Å; D365-S751 PolarHBondContact OD2-N 3.01Å; D365-S751 PolarHBondContact OD2-OG 2.83Å; R384-S751 VanDerWaalsContact CD-OG 3.26Å; R384-S751 WeakPolarHBondContact CD-OG 3.35Å; N385-S751 PolarHBondContact ND2-OG 2.81Å; I549-S751 WeakPolarHBondContact CD1-OG 3.21Å; M558-S751 CarbonylContact C-O 3.56Å; M558-S751 WeakPolarHBondContact CA-O 3.44Å; S559-S751 PolarHBondContact N-O 3.04Å; M745-S751 WeakPolarHBondContact CE-O 3.18Å
752	T	94.4	Very high	94.7	Very high	4 Å²	4	8.3 Å²	8.3	3%	0.025	4%	0.041	C	C	.	.	B	Isolated β-bridge	trans	-119.8	139.5	-170.5	88.9	0	0	0	0	114.2	P363 A754 S755 Y756	P363-T752 HydrophobicContact CG-CG2 4.16Å; T752-A754 PolarHBondContact O-N 2.85Å; T752-S755 PolarHBondContact O-N 2.92Å; T752-S755 PolarHBondContact OG1-N 2.55Å; T752-S755 PolarHBondContact OG1-OG 2.92Å; T752-S755 VanDerWaalsContact OG1-OG 3.11Å; T752-Y756 PolarHBondContact O-N 3.45Å; T752-Y756 VanDerWaalsContact O-N 3.13Å
753	I	95.6	Very high	94.6	Very high	1 Å²	1	5.9 Å²	5.9	1%	0.005	3%	0.031	C	C	.	.	H	α-helix	trans	-67.2	-22.3	176.4	-163.4	66.1	0	0	0	112.4	S559 L560 A561 P586 L697 M745 Y756 R757	S559-I753 PolarHBondContact O-N 3.31Å; L560-I753 HydrophobicContact CD2-CB 3.96Å; L560-I753 HydrophobicContact CD2-CD1 4.1Å; L560-I753 HydrophobicContact CD2-CG1 4.22Å; A561-I753 WeakPolarHBondContact O-CG2 3.17Å; P586-I753 HydrophobicContact CG-CG1 4.37Å; L697-I753 HydrophobicContact CD1-CD1 3.92Å; L697-I753 HydrophobicContact CD1-CG1 4.49Å; M745-I753 HydrophobicContact CE-CB 4.48Å; M745-I753 HydrophobicContact SD-CB 4.23Å; M745-I753 HydrophobicContact SD-CD1 3.63Å; I753-Y756 HydrophobicContact CD1-CD1 4.01Å; I753-Y756 HydrophobicContact CD1-CG 4.46Å; I753-R757 VanDerWaalsContact O-CB 3.32Å; I753-R757 WeakPolarHBondContact O-CB 3.4Å; I753-R757 PolarHBondContact O-N 3.48Å
754	A	93.4	Very high	94.6	Very high	26 Å²	26	5.1 Å²	5.1	22%	0.215	3%	0.028	C	C	.	.	H	α-helix	trans	-60.9	-48	175	0	0	0	0	0	111.1	E362 T752	E362-A754 HydrophobicContact CB-CB 4.14Å; T752-A754 PolarHBondContact O-N 2.85Å
755	S	94.1	Very high	94.4	Very high	1 Å²	1	4.9 Å²	4.9	1%	0.007	3%	0.027	C	C	.	.	H	α-helix	trans	-77.3	-29.6	178.2	-41.3	0	0	0	0	113.3	P363 T752 R757	P363-S755 WeakPolarHBondContact CD-OG 3.35Å; P363-S755 WeakPolarHBondContact O-CB 3.31Å; P363-S755 PolarHBondContact O-OG 3.12Å; T752-S755 PolarHBondContact O-N 2.92Å; T752-S755 PolarHBondContact OG1-N 2.55Å; T752-S755 PolarHBondContact OG1-OG 2.92Å; T752-S755 VanDerWaalsContact OG1-OG 3.11Å; S755-R757 VanDerWaalsContact C-N 3.34Å
756	Y	96.2	Very high	94.2	Very high	6 Å²	6	4.9 Å²	4.9	2%	0.024	3%	0.027	C	C	.	.	H	α-helix	trans	-69.6	-30.3	173.6	-173.3	-90	0	0	0	112.7	A694 M745 I750 T752 I753 C758 S759 L761 F762	A694-Y756 HydrophobicContact CB-CE1 4.43Å; M745-Y756 HydrophobicContact CB-CD2 4.34Å; M745-Y756 HydrophobicContact CG-CD1 4.35Å; M745-Y756 HydrophobicContact CG-CD2 3.72Å; M745-Y756 HydrophobicContact CG-CE2 4.28Å; M745-Y756 HydrophobicContact CG-CG 3.76Å; I750-Y756 HydrophobicContact CD1-CD2 4.09Å; T752-Y756 PolarHBondContact O-N 3.45Å; T752-Y756 VanDerWaalsContact O-N 3.13Å; I753-Y756 HydrophobicContact CD1-CD1 4.01Å; I753-Y756 HydrophobicContact CD1-CG 4.46Å; Y756-C758 PolarHBondContact O-N 3.37Å; Y756-S759 WeakPolarHBondContact O-CB 3.45Å; Y756-S759 PolarHBondContact O-N 2.94Å; Y756-S759 VanDerWaalsContact O-N 3.09Å; Y756-S759 PolarHBondContact O-OG 3.35Å; Y756-L761 HydrophobicContact CD2-CD1 4.35Å; Y756-L761 HydrophobicContact CE2-CD1 4.31Å; Y756-F762 WeakPolarHBondContact OH-CZ 3.5Å
757	R	95.7	Very high	94.2	Very high	19 Å²	19	4.9 Å²	4.9	7%	0.072	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	130.1	178.1	-174.4	-178.4	-67.1	117.9	-6.8	110.6	W281 T562 L697 A701 T702 I753 S755 S759	W281-R757 PolarHBondContact NE1-O 2.89Å; T562-R757 PolarHBondContact OG1-NH2 3.13Å; T562-R757 VanDerWaalsContact OG1-NH2 3.12Å; L697-R757 WeakPolarHBondContact O-CA 3.32Å; A701-R757 WeakPolarHBondContact O-CD 3.36Å; A701-R757 PolarHBondContact O-NE 3.13Å; T702-R757 PolarHBondContact O-NH2 2.95Å; I753-R757 VanDerWaalsContact O-CB 3.32Å; I753-R757 WeakPolarHBondContact O-CB 3.4Å; I753-R757 PolarHBondContact O-N 3.48Å; S755-R757 VanDerWaalsContact C-N 3.34Å; R757-S759 PolarHBondContact O-N 3.05Å
758	C	94.6	Very high	94.2	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	9.4	-171.7	-41.5	0	0	0	0	115.5	Q280 W281 Q666 L697 G698 Y756 K760	Q280-C758 PolarHBondContact OE1-O 3.12Å; W281-C758 VanDerWaalsContact CZ2-SG 3.6Å; Q666-C758 PolarHBondContact NE2-SG 2.74Å; L697-C758 PolarHBondContact O-N 3.39Å; G698-C758 CarbonylContact O-C 3.53Å; G698-C758 VanDerWaalsContact O-C 3.25Å; G698-C758 WeakPolarHBondContact O-CA 3.47Å; G698-C758 PolarHBondContact O-N 3.12Å; Y756-C758 PolarHBondContact O-N 3.37Å; C758-K760 VanDerWaalsContact C-N 3.32Å; C758-K760 PolarHBondContact O-N 3.45Å
759	S	93	Very high	94.2	Very high	1 Å²	1	13 Å²	13	1%	0.007	7%	0.069	C	C	.	.			trans	-70.4	-23.1	-178.2	65.3	0	0	0	0	114.6	T276 G698 Y756 R757 L761	T276-S759 WeakPolarHBondContact CB-O 3.46Å; T276-S759 WeakPolarHBondContact CG2-O 3.29Å; G698-S759 PolarHBondContact O-N 2.96Å; Y756-S759 WeakPolarHBondContact O-CB 3.45Å; Y756-S759 PolarHBondContact O-N 2.94Å; Y756-S759 VanDerWaalsContact O-N 3.09Å; Y756-S759 PolarHBondContact O-OG 3.35Å; R757-S759 PolarHBondContact O-N 3.05Å; S759-L761 PolarHBondContact O-N 3.48Å; S759-L761 WeakPolarHBondContact OG-CD1 3.49Å
760	K	94	Very high	94.3	Very high	25 Å²	25	15.6 Å²	15.6	11%	0.109	8%	0.082	C	C	.	.			trans	54.3	31.8	-178.9	-52.1	172.2	-169.2	173.8	0	114.5	G698 F699 C758 F762 Q777	G698-K760 PolarHBondContact O-N 2.74Å; F699-K760 HydrophobicContact CD1-CG 4.11Å; F699-K760 HydrophobicContact CE1-CB 4.24Å; F699-K760 HydrophobicContact CE1-CG 4.05Å; C758-K760 VanDerWaalsContact C-N 3.32Å; C758-K760 PolarHBondContact O-N 3.45Å; K760-F762 PolarHBondContact O-N 3.44Å; K760-Q777 WeakPolarHBondContact CE-O 3.46Å; K760-Q777 PolarHBondContact NZ-O 2.84Å
761	L	93.9	Very high	94.4	Very high	13 Å²	13	15.6 Å²	15.6	7%	0.068	8%	0.082	C	C	.	.			trans	-74.9	55.7	-176.3	-65.6	167.2	0	0	0	113.6	Q540 M748 I750 Y756 S759	Q540-L761 HydrophobicContact CB-CB 4.49Å; Q540-L761 PolarHBondContact N-O 3.28Å; Q540-L761 VanDerWaalsContact N-O 3.11Å; M748-L761 HydrophobicContact CB-CD1 4.38Å; M748-L761 HydrophobicContact CE-CD2 4.25Å; M748-L761 HydrophobicContact CG-CD1 4Å; M748-L761 HydrophobicContact CG-CD2 4.44Å; I750-L761 HydrophobicContact CD1-CD1 3.25Å; Y756-L761 HydrophobicContact CD2-CD1 4.35Å; Y756-L761 HydrophobicContact CE2-CD1 4.31Å; S759-L761 PolarHBondContact O-N 3.48Å; S759-L761 WeakPolarHBondContact OG-CD1 3.49Å
762	F	94.9	Very high	94.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	143.3	179	-61	-83.2	0	0	0	110.7	F537 R538 Q539 H691 A694 V695 F699 Y756 K760	F537-F762 HydrophobicContact CB-CB 4.2Å; F537-F762 HydrophobicContact CB-CD1 3.98Å; F537-F762 HydrophobicContact CB-CG 4.26Å; F537-F762 HydrophobicContact CD1-CB 3.96Å; F537-F762 HydrophobicContact CG-CB 4.5Å; R538-F762 CarbonylContact O-C 3.57Å; R538-F762 WeakPolarHBondContact O-CA 3.39Å; Q539-F762 HydrophobicContact CG-CD1 4.32Å; Q539-F762 HydrophobicContact CG-CE1 3.85Å; H691-F762 AromaticContact CE1-CE1 3.82Å; A694-F762 HydrophobicContact CB-CZ 4.1Å; A694-F762 WeakPolarHBondContact O-CZ 3.49Å; V695-F762 HydrophobicContact CB-CZ 4.3Å; V695-F762 HydrophobicContact CG2-CD1 4.18Å; V695-F762 HydrophobicContact CG2-CE1 3.66Å; V695-F762 HydrophobicContact CG2-CE2 4.23Å; V695-F762 HydrophobicContact CG2-CZ 3.69Å; F699-F762 HydrophobicContact CE2-CD2 4.21Å; Y756-F762 WeakPolarHBondContact OH-CZ 3.5Å; K760-F762 PolarHBondContact O-N 3.44Å
763	E	94	Very high	94.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	127.5	157.2	-172.8	175.1	-177.9	0	0	109.3	F537 R538 V765 V780 R782 P1035 C1074	F537-E763 CarbonylContact C-O 3.48Å; F537-E763 WeakPolarHBondContact CA-O 3.21Å; R538-E763 PolarHBondContact N-O 2.65Å; R538-E763 PolarHBondContact O-N 3.16Å; E763-V765 HydrophobicContact CB-CG2 4.32Å; E763-V765 HydrophobicContact CG-CG2 3.8Å; E763-V780 HydrophobicContact CG-CG1 4.35Å; E763-R782 VanDerWaalsContact CD-NH2 3.3Å; E763-R782 IonicContact OE1-CZ 2.8Å; E763-R782 IonicContact OE1-NE 3.22Å; E763-R782 PolarHBondContact OE1-NE 2.85Å; E763-R782 IonicContact OE1-NH2 3.56Å; E763-R782 PolarHBondContact OE1-NH2 3.13Å; E763-R782 VanDerWaalsContact OE1-NH2 3.11Å; E763-R782 IonicContact OE2-CZ 2.85Å; E763-R782 IonicContact OE2-NE 3.26Å; E763-R782 IonicContact OE2-NH2 2.71Å; E763-R782 PolarHBondContact OE2-NH2 3.39Å; E763-P1035 HydrophobicContact CB-CG 3.89Å; E763-P1035 HydrophobicContact CG-CG 3.94Å; E763-P1035 VanDerWaalsContact OE2-CD 3.29Å; E763-P1035 WeakPolarHBondContact OE2-CD 2.9Å; E763-P1035 VanDerWaalsContact OE2-CG 3.3Å; E763-P1035 WeakPolarHBondContact OE2-CG 3.26Å; E763-C1074 PolarHBondContact OE2-SG 2.89Å
764	A	94.3	Very high	94.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	108.4	165	0	0	0	0	0	109.2	Y536 F537 L767 V780 S781	Y536-A764 WeakPolarHBondContact O-CA 3.46Å; F537-A764 HydrophobicContact CD1-CB 4.34Å; F537-A764 HydrophobicContact CE1-CB 4.11Å; A764-L767 HydrophobicContact CB-CB 4.32Å; A764-L767 HydrophobicContact CB-CD1 3.89Å; A764-L767 HydrophobicContact CB-CG 4.22Å; A764-V780 PolarHBondContact N-O 3.44Å; A764-S781 WeakPolarHBondContact O-CA 3.49Å; A764-S781 PolarHBondContact O-OG 3.46Å
765	V	92.2	Very high	94.8	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	11%	0.108	C	C	.	.	S	Bend	trans	-104.7	105	179.7	-174.8	0	0	0	0	108.5	F523 Y536 R538 E763 I783	F523-V765 HydrophobicContact CD1-CB 3.84Å; F523-V765 HydrophobicContact CD1-CG1 3.51Å; F523-V765 HydrophobicContact CE1-CB 3.62Å; F523-V765 HydrophobicContact CE1-CG1 3.56Å; F523-V765 HydrophobicContact CE1-CG2 3.88Å; F523-V765 HydrophobicContact CG-CG1 4.18Å; F523-V765 HydrophobicContact CZ-CG1 4.27Å; F523-V765 HydrophobicContact CZ-CG2 4.49Å; Y536-V765 PolarHBondContact O-N 2.89Å; R538-V765 HydrophobicContact CG-CG2 3.9Å; E763-V765 HydrophobicContact CB-CG2 4.32Å; E763-V765 HydrophobicContact CG-CG2 3.8Å; V765-I783 HydrophobicContact CG1-CD1 3.7Å
766	G	92.9	Very high	94.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	97	18.9	177.8	0	0	0	0	0	116	Y536 G784 A786	Y536-G766 WeakPolarHBondContact CE1-O 3.41Å; G766-G784 CarbonylContact C-O 3.41Å; G766-G784 WeakPolarHBondContact CA-O 3.47Å; G766-A786 PolarHBondContact O-N 2.89Å
767	L	95.4	Very high	94.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-102.4	134	172.4	-62	-174.7	0	0	0	110.5	Y536 F537 A764 V772 F776 S781 G784 F791	Y536-L767 HydrophobicContact CD1-CD2 3.51Å; Y536-L767 HydrophobicContact CD1-CG 4.16Å; Y536-L767 HydrophobicContact CD2-CD2 4.47Å; Y536-L767 HydrophobicContact CE1-CD2 4.15Å; Y536-L767 HydrophobicContact CG-CD2 3.69Å; Y536-L767 HydrophobicContact CG-CG 4.32Å; F537-L767 HydrophobicContact CE1-CD1 4.09Å; F537-L767 HydrophobicContact CE2-CD1 4.4Å; F537-L767 HydrophobicContact CZ-CD1 3.77Å; A764-L767 HydrophobicContact CB-CB 4.32Å; A764-L767 HydrophobicContact CB-CD1 3.89Å; A764-L767 HydrophobicContact CB-CG 4.22Å; L767-V772 HydrophobicContact CB-CG2 3.69Å; L767-F776 HydrophobicContact CD1-CD2 4.04Å; L767-F776 HydrophobicContact CD1-CE2 4.09Å; L767-S781 PolarHBondContact O-OG 3.36Å; L767-G784 PolarHBondContact N-O 3.14Å; L767-G784 CarbonylContact O-C 3.58Å; L767-G784 VanDerWaalsContact O-C 3.3Å; L767-G784 WeakPolarHBondContact O-CA 3.49Å; L767-F791 HydrophobicContact CD2-CE2 3.74Å; L767-F791 HydrophobicContact CD2-CZ 3.51Å
768	H	95.3	Very high	94.1	Very high	69 Å²	69	24.9 Å²	24.9	32%	0.319	15%	0.152	S	C	.	.			trans	-73.6	155.2	178	-170.1	-98.1	0	0	0	112.3	D770 V771 V772 G785 A786	H768-D770 WeakPolarHBondContact CB-OD1 3.48Å; H768-D770 IonicContact CE1-OD1 3.7Å; H768-D770 IonicContact CG-OD1 3.93Å; H768-D770 VanDerWaalsContact ND1-CG 3.33Å; H768-D770 IonicContact ND1-OD1 3.23Å; H768-D770 PolarHBondContact ND1-OD1 3.06Å; H768-D770 PolarHBondContact O-N 3.44Å; H768-V771 PolarHBondContact O-N 3.04Å; H768-V771 VanDerWaalsContact O-N 3.1Å; H768-V772 PolarHBondContact O-N 3.18Å; H768-G785 WeakPolarHBondContact CB-O 3.35Å; H768-A786 WeakPolarHBondContact CB-O 3.39Å; H768-A786 PolarHBondContact N-O 3.48Å
769	D	93	Very high	93.9	Very high	107 Å²	107	25.3 Å²	25.3	57%	0.572	16%	0.156	S	C	*	.	H	α-helix	trans	-66.4	-22.2	-170.1	-65.3	-20	0	0	0	113.9	G773	D769-G773 WeakPolarHBondContact O-CA 3.43Å; D769-G773 PolarHBondContact O-N 3.08Å
770	D	94.2	Very high	93.7	Very high	55 Å²	55	27.3 Å²	27.3	29%	0.294	17%	0.168	S	C	.	.	H	α-helix	trans	-66.9	-45.6	172.1	66.5	-29.2	0	0	0	111.6	H768 L774 F788	H768-D770 WeakPolarHBondContact CB-OD1 3.48Å; H768-D770 IonicContact CE1-OD1 3.7Å; H768-D770 IonicContact CG-OD1 3.93Å; H768-D770 VanDerWaalsContact ND1-CG 3.33Å; H768-D770 IonicContact ND1-OD1 3.23Å; H768-D770 PolarHBondContact ND1-OD1 3.06Å; H768-D770 PolarHBondContact O-N 3.44Å; D770-L774 WeakPolarHBondContact O-CB 3.49Å; D770-L774 PolarHBondContact O-N 3.32Å; D770-L774 VanDerWaalsContact O-N 3.1Å; D770-F788 HydrophobicContact CB-CE2 4.42Å; D770-F788 WeakPolarHBondContact OD2-CD2 3.49Å
771	V	97.1	Very high	93.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67.2	-46.3	176	175.5	0	0	0	0	110.2	M660 H768 C775 F776 F788	M660-V771 HydrophobicContact CE-CG1 3.82Å; M660-V771 HydrophobicContact CE-CG2 4.35Å; H768-V771 PolarHBondContact O-N 3.04Å; H768-V771 VanDerWaalsContact O-N 3.1Å; V771-C775 VanDerWaalsContact O-CB 3.25Å; V771-C775 WeakPolarHBondContact O-CB 3.35Å; V771-C775 PolarHBondContact O-N 2.95Å; V771-F776 HydrophobicContact CG1-CD2 4.04Å; V771-F776 HydrophobicContact CG1-CE2 3.77Å; V771-F788 HydrophobicContact CB-CE2 4.27Å; V771-F788 HydrophobicContact CB-CZ 4.27Å; V771-F788 HydrophobicContact CG2-CD1 4.1Å; V771-F788 HydrophobicContact CG2-CD2 3.71Å; V771-F788 HydrophobicContact CG2-CE1 4.13Å; V771-F788 HydrophobicContact CG2-CE2 3.74Å; V771-F788 HydrophobicContact CG2-CG 3.89Å; V771-F788 HydrophobicContact CG2-CZ 3.95Å
772	V	96.3	Very high	93.4	Very high	13 Å²	13	28.2 Å²	28.2	8%	0.079	17%	0.174	C	C	.	.	H	α-helix	trans	-65.6	-45.6	179.5	178.2	0	0	0	0	110.8	L767 H768 L774 F776 Q777	L767-V772 HydrophobicContact CB-CG2 3.69Å; H768-V772 PolarHBondContact O-N 3.18Å; V772-L774 PolarHBondContact O-N 2.95Å; V772-F776 CarbonylContact O-C 3.53Å; V772-F776 WeakPolarHBondContact O-CA 2.87Å; V772-F776 PolarHBondContact O-N 3.39Å; V772-Q777 PolarHBondContact O-N 2.85Å
773	G	95.1	Very high	93.2	Very high	45 Å²	45	28.4 Å²	28.4	46%	0.464	18%	0.175	S	C	.	.	H	α-helix	trans	-64.2	-38.6	-179.3	0	0	0	0	0	114.1	D769	D769-G773 WeakPolarHBondContact O-CA 3.43Å; D769-G773 PolarHBondContact O-N 3.08Å
774	L	96.6	Very high	93	Very high	49 Å²	49	28.8 Å²	28.8	26%	0.257	18%	0.18	S	C	.	.	H	α-helix	trans	-85	-42.9	-179.9	-178.9	60.4	0	0	0	113.5	E621 V624 K625 D770 V772 F788	E621-L774 HydrophobicContact CG-CD2 4.22Å; V624-L774 HydrophobicContact CG1-CD2 4.07Å; V624-L774 HydrophobicContact CG1-CG 4.3Å; K625-L774 HydrophobicContact CG-CD1 4.41Å; K625-L774 HydrophobicContact CG-CD2 4.01Å; D770-L774 WeakPolarHBondContact O-CB 3.49Å; D770-L774 PolarHBondContact O-N 3.32Å; D770-L774 VanDerWaalsContact O-N 3.1Å; V772-L774 PolarHBondContact O-N 2.95Å; L774-F788 HydrophobicContact CB-CE2 4.48Å; L774-F788 HydrophobicContact CB-CZ 4.24Å; L774-F788 HydrophobicContact CD2-CE2 4.12Å; L774-F788 HydrophobicContact CD2-CZ 3.8Å; L774-F788 HydrophobicContact CG-CZ 4.42Å
775	C	97.4	Very high	92.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-102.7	-29.6	-170	-64.1	0	0	0	0	114	M660 G663 A664 V771	M660-C775 HydrophobicContact CB-CB 4.31Å; M660-C775 HydrophobicContact CG-CB 4.45Å; G663-C775 CarbonylContact C-O 3.57Å; G663-C775 WeakPolarHBondContact CA-O 3.25Å; A664-C775 PolarHBondContact N-O 3.28Å; V771-C775 VanDerWaalsContact O-CB 3.25Å; V771-C775 WeakPolarHBondContact O-CB 3.35Å; V771-C775 PolarHBondContact O-N 2.95Å
776	F	96.4	Very high	93	Very high	1 Å²	1	28.8 Å²	28.8	0%	0.004	18%	0.179	C	C	.	.	S	Bend	trans	-131.4	34	-167.7	-52	-64.1	0	0	0	112.1	I533 F537 P659 M660 F699 L767 V771 V772 G778 A779	I533-F776 HydrophobicContact CD1-CE2 3.92Å; I533-F776 HydrophobicContact CD1-CZ 3.8Å; F537-F776 HydrophobicContact CE1-CD1 4.36Å; F537-F776 HydrophobicContact CE1-CG 4.33Å; F537-F776 HydrophobicContact CE2-CE1 4.41Å; F537-F776 HydrophobicContact CE2-CZ 4.28Å; F537-F776 AromaticContact CZ-CD1 3.87Å; F537-F776 HydrophobicContact CZ-CD1 3.87Å; F537-F776 AromaticContact CZ-CD2 3.99Å; F537-F776 HydrophobicContact CZ-CD2 3.99Å; F537-F776 AromaticContact CZ-CE1 3.75Å; F537-F776 HydrophobicContact CZ-CE1 3.75Å; F537-F776 AromaticContact CZ-CE2 3.87Å; F537-F776 HydrophobicContact CZ-CE2 3.87Å; F537-F776 AromaticContact CZ-CG 4Å; F537-F776 HydrophobicContact CZ-CG 4Å; F537-F776 AromaticContact CZ-CZ 3.75Å; F537-F776 HydrophobicContact CZ-CZ 3.75Å; P659-F776 HydrophobicContact CB-CE1 3.91Å; P659-F776 HydrophobicContact CB-CZ 4.03Å; P659-F776 VanDerWaalsContact O-CE1 3.32Å; P659-F776 WeakPolarHBondContact O-CE1 3.38Å; M660-F776 HydrophobicContact CB-CZ 4.47Å; M660-F776 HydrophobicContact CG-CE2 4.21Å; M660-F776 HydrophobicContact CG-CZ 3.97Å; F699-F776 AromaticContact CD1-CD1 3.82Å; F699-F776 HydrophobicContact CD1-CD1 3.82Å; F699-F776 AromaticContact CD2-CD1 3.93Å; F699-F776 HydrophobicContact CD2-CD1 3.93Å; F699-F776 HydrophobicContact CD2-CE1 4.14Å; F699-F776 HydrophobicContact CE1-CB 3.87Å; F699-F776 AromaticContact CE1-CD1 3.69Å; F699-F776 HydrophobicContact CE1-CD1 3.69Å; F699-F776 HydrophobicContact CE1-CG 4.22Å; F699-F776 AromaticContact CE2-CD1 3.81Å; F699-F776 HydrophobicContact CE2-CD1 3.81Å; F699-F776 HydrophobicContact CE2-CE1 4.23Å; F699-F776 AromaticContact CG-CD1 3.95Å; F699-F776 HydrophobicContact CG-CD1 3.95Å; F699-F776 HydrophobicContact CG-CE1 4.38Å; F699-F776 HydrophobicContact CZ-CB 4.13Å; F699-F776 AromaticContact CZ-CD1 3.7Å; F699-F776 HydrophobicContact CZ-CD1 3.7Å; F699-F776 HydrophobicContact CZ-CG 4.21Å; L767-F776 HydrophobicContact CD1-CD2 4.04Å; L767-F776 HydrophobicContact CD1-CE2 4.09Å; V771-F776 HydrophobicContact CG1-CD2 4.04Å; V771-F776 HydrophobicContact CG1-CE2 3.77Å; V772-F776 CarbonylContact O-C 3.53Å; V772-F776 WeakPolarHBondContact O-CA 2.87Å; V772-F776 PolarHBondContact O-N 3.39Å; F776-G778 PolarHBondContact O-N 3.25Å; F776-G778 VanDerWaalsContact O-N 3.14Å; F776-A779 HydrophobicContact CB-CB 4.19Å; F776-A779 VanDerWaalsContact O-CB 3.29Å; F776-A779 WeakPolarHBondContact O-CB 3.46Å; F776-A779 PolarHBondContact O-N 2.99Å
777	Q	90.5	Very high	93.2	Very high	82 Å²	82	29.2 Å²	29.2	38%	0.383	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	119.5	-171	-166.5	-164	35.4	0	0	111.7	T667 K760 V772	T667-Q777 HydrophobicContact CG2-CB 4.34Å; K760-Q777 WeakPolarHBondContact CE-O 3.46Å; K760-Q777 PolarHBondContact NZ-O 2.84Å; V772-Q777 PolarHBondContact O-N 2.85Å
778	G	85.4	Confident	93.3	Very high	61 Å²	61	29.5 Å²	29.5	63%	0.629	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.6	2.4	-178.4	0	0	0	0	0	115.6	F776	F776-G778 PolarHBondContact O-N 3.25Å; F776-G778 VanDerWaalsContact O-N 3.14Å
779	A	90.4	Very high	93.3	Very high	10 Å²	10	33.2 Å²	33.2	8%	0.083	20%	0.201	C	C	.	.	S	Bend	trans	-71.9	148.1	159.1	0	0	0	0	0	110	F699 F776 S781	F699-A779 HydrophobicContact CE1-CB 4.04Å; F699-A779 HydrophobicContact CZ-CB 4.04Å; F776-A779 HydrophobicContact CB-CB 4.19Å; F776-A779 VanDerWaalsContact O-CB 3.29Å; F776-A779 WeakPolarHBondContact O-CB 3.46Å; F776-A779 PolarHBondContact O-N 2.99Å; A779-S781 PolarHBondContact O-N 3.18Å
780	V	89.7	Confident	93.4	Very high	43 Å²	43	28.8 Å²	28.8	26%	0.261	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	125.9	177.1	-179.4	0	0	0	0	109.5	E763 A764 R782 P1035	E763-V780 HydrophobicContact CG-CG1 4.35Å; A764-V780 PolarHBondContact N-O 3.44Å; V780-R782 HydrophobicContact CG1-CG 3.9Å; V780-P1035 HydrophobicContact CB-CB 4.44Å; V780-P1035 HydrophobicContact CB-CG 4.13Å; V780-P1035 HydrophobicContact CG1-CB 3.91Å; V780-P1035 HydrophobicContact CG1-CG 3.75Å; V780-P1035 HydrophobicContact CG2-CB 4.27Å; V780-P1035 HydrophobicContact CG2-CG 4.39Å
781	S	91.5	Very high	93.5	Very high	30 Å²	30	26.6 Å²	26.6	21%	0.21	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	124.8	166.5	-175.3	0	0	0	0	108.7	A764 L767 A779	A764-S781 WeakPolarHBondContact O-CA 3.49Å; A764-S781 PolarHBondContact O-OG 3.46Å; L767-S781 PolarHBondContact O-OG 3.36Å; A779-S781 PolarHBondContact O-N 3.18Å
782	R	89.9	Confident	93.5	Very high	27 Å²	27	28.4 Å²	28.4	10%	0.102	17%	0.174	C	C	.	.	S	Bend	trans	-109.8	-17.8	-171.7	-67.5	-172.6	-72.1	-176.6	-9.3	115.2	L33 E763 V780 E1082	L33-R782 HydrophobicContact CD2-CB 4.12Å; E763-R782 VanDerWaalsContact CD-NH2 3.3Å; E763-R782 IonicContact OE1-CZ 2.8Å; E763-R782 IonicContact OE1-NE 3.22Å; E763-R782 PolarHBondContact OE1-NE 2.85Å; E763-R782 IonicContact OE1-NH2 3.56Å; E763-R782 PolarHBondContact OE1-NH2 3.13Å; E763-R782 VanDerWaalsContact OE1-NH2 3.11Å; E763-R782 IonicContact OE2-CZ 2.85Å; E763-R782 IonicContact OE2-NE 3.26Å; E763-R782 IonicContact OE2-NH2 2.71Å; E763-R782 PolarHBondContact OE2-NH2 3.39Å; V780-R782 HydrophobicContact CG1-CG 3.9Å; R782-E1082 IonicContact CZ-OE2 2.69Å; R782-E1082 IonicContact NH1-OE2 3.93Å; R782-E1082 PolarHBondContact NH1-OE2 3.26Å
783	I	90.7	Very high	93.4	Very high	3 Å²	3	32 Å²	32	2%	0.015	19%	0.19	C	C	.	.	S	Bend	trans	-129	4.7	-167.2	64.5	174	0	0	0	115.1	V765 L861 L1078 L1213 A1214 L1215	V765-I783 HydrophobicContact CG1-CD1 3.7Å; I783-L861 HydrophobicContact CD1-CD2 4.01Å; I783-L1078 HydrophobicContact CG2-CD1 4.4Å; I783-L1078 HydrophobicContact CG2-CD2 3.72Å; I783-L1213 HydrophobicContact CB-CD2 4.45Å; I783-L1213 HydrophobicContact CD1-CD2 3.96Å; I783-L1213 HydrophobicContact CG1-CD2 4.1Å; I783-L1213 CarbonylContact O-C 3.58Å; I783-L1213 WeakPolarHBondContact O-CA 3.48Å; I783-A1214 PolarHBondContact O-N 3.44Å; I783-L1215 HydrophobicContact CB-CD2 4.48Å; I783-L1215 HydrophobicContact CG2-CD2 4.43Å
784	G	88.5	Confident	93.4	Very high	9 Å²	9	30.8 Å²	30.8	9%	0.093	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	60	-153.7	-175.6	0	0	0	0	0	113	G766 L767	G766-G784 CarbonylContact C-O 3.41Å; G766-G784 WeakPolarHBondContact CA-O 3.47Å; L767-G784 PolarHBondContact N-O 3.14Å; L767-G784 CarbonylContact O-C 3.58Å; L767-G784 VanDerWaalsContact O-C 3.3Å; L767-G784 WeakPolarHBondContact O-CA 3.49Å
785	G	92.7	Very high	93.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.165	C	C	.	.			trans	133.5	-121.7	173.3	0	0	0	0	0	115.4	H768 K1212	H768-G785 WeakPolarHBondContact CB-O 3.35Å; G785-K1212 WeakPolarHBondContact CA-O 3.5Å; G785-K1212 PolarHBondContact N-O 3.46Å; G785-K1212 WeakPolarHBondContact O-CB 3.4Å; G785-K1212 WeakPolarHBondContact O-CD 3.29Å
786	A	95.2	Very high	93.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-72.3	129.2	-172.8	0	0	0	0	0	112.8	Y536 G766 H768 D790 F791 K1209	Y536-A786 HydrophobicContact CE1-CB 4.02Å; G766-A786 PolarHBondContact O-N 2.89Å; H768-A786 WeakPolarHBondContact CB-O 3.39Å; H768-A786 PolarHBondContact N-O 3.48Å; A786-D790 WeakPolarHBondContact CA-OD2 3.32Å; A786-D790 HydrophobicContact CB-CB 4.31Å; A786-F791 HydrophobicContact CB-CD2 4.49Å; A786-F791 HydrophobicContact CB-CE2 3.78Å; A786-F791 HydrophobicContact CB-CZ 3.98Å; A786-K1209 HydrophobicContact CB-CD 4.43Å; A786-K1209 HydrophobicContact CB-CG 4.24Å
787	S	96.3	Very high	93.1	Very high	9 Å²	9	34.6 Å²	34.6	6%	0.063	19%	0.193	C	C	.	.			trans	-99.8	174.7	177.7	70.3	0	0	0	0	112.5	E789 D790 F791 K1212	S787-E789 PolarHBondContact O-N 2.75Å; S787-D790 PolarHBondContact N-OD2 2.85Å; S787-D790 PolarHBondContact O-N 2.95Å; S787-D790 PolarHBondContact OG-OD2 2.87Å; S787-F791 VanDerWaalsContact O-CD2 3.31Å; S787-F791 WeakPolarHBondContact O-CD2 3.49Å; S787-F791 PolarHBondContact O-N 2.79Å; S787-K1212 PolarHBondContact OG-NZ 3.18Å
788	F	97.1	Very high	93.3	Very high	7 Å²	7	31.7 Å²	31.7	3%	0.031	18%	0.18	C	C	.	.	H	α-helix	trans	-55.1	-34.7	178.4	-72.7	-74.1	0	0	0	113.7	L620 E621 V624 M660 D770 V771 L774 Q792	L620-F788 HydrophobicContact CD2-CD1 4.15Å; L620-F788 HydrophobicContact CG-CD1 4.07Å; E621-F788 HydrophobicContact CB-CB 4.03Å; E621-F788 HydrophobicContact CB-CD1 4.28Å; E621-F788 HydrophobicContact CB-CD2 3.87Å; E621-F788 HydrophobicContact CB-CE2 4.41Å; E621-F788 HydrophobicContact CB-CG 3.81Å; E621-F788 HydrophobicContact CG-CD2 3.72Å; E621-F788 HydrophobicContact CG-CE2 3.89Å; E621-F788 HydrophobicContact CG-CG 4.18Å; E621-F788 HydrophobicContact CG-CZ 4.48Å; V624-F788 HydrophobicContact CG2-CE1 4.47Å; M660-F788 HydrophobicContact CE-CD1 4.14Å; M660-F788 HydrophobicContact CE-CE1 4.16Å; M660-F788 HydrophobicContact SD-CD1 4.11Å; M660-F788 HydrophobicContact SD-CE1 3.89Å; D770-F788 HydrophobicContact CB-CE2 4.42Å; D770-F788 WeakPolarHBondContact OD2-CD2 3.49Å; V771-F788 HydrophobicContact CB-CE2 4.27Å; V771-F788 HydrophobicContact CB-CZ 4.27Å; V771-F788 HydrophobicContact CG2-CD1 4.1Å; V771-F788 HydrophobicContact CG2-CD2 3.71Å; V771-F788 HydrophobicContact CG2-CE1 4.13Å; V771-F788 HydrophobicContact CG2-CE2 3.74Å; V771-F788 HydrophobicContact CG2-CG 3.89Å; V771-F788 HydrophobicContact CG2-CZ 3.95Å; L774-F788 HydrophobicContact CB-CE2 4.48Å; L774-F788 HydrophobicContact CB-CZ 4.24Å; L774-F788 HydrophobicContact CD2-CE2 4.12Å; L774-F788 HydrophobicContact CD2-CZ 3.8Å; L774-F788 HydrophobicContact CG-CZ 4.42Å; F788-Q792 WeakPolarHBondContact O-CB 3.25Å; F788-Q792 PolarHBondContact O-N 2.75Å
789	E	96	Very high	93.8	Very high	146 Å²	146	29.2 Å²	29.2	68%	0.682	15%	0.153	S	C	*	.	H	α-helix	trans	-65.1	-39.4	177.8	-62.4	-176.3	149.1	0	0	112.1	S787 Q792 Q793	S787-E789 PolarHBondContact O-N 2.75Å; E789-Q792 PolarHBondContact O-N 2.86Å; E789-Q793 WeakPolarHBondContact O-CB 3.43Å; E789-Q793 PolarHBondContact O-N 3.09Å
790	D	95.6	Very high	94	Very high	15 Å²	15	35.1 Å²	35.1	8%	0.08	18%	0.177	C	C	.	.	H	α-helix	trans	-67.4	-42.5	179.6	-55.9	-54.4	0	0	0	110.9	A786 S787 Q793 D794 K1209 K1212	A786-D790 WeakPolarHBondContact CA-OD2 3.32Å; A786-D790 HydrophobicContact CB-CB 4.31Å; S787-D790 PolarHBondContact N-OD2 2.85Å; S787-D790 PolarHBondContact O-N 2.95Å; S787-D790 PolarHBondContact OG-OD2 2.87Å; D790-Q793 PolarHBondContact O-N 2.64Å; D790-D794 PolarHBondContact O-N 3.47Å; D790-K1209 HydrophobicContact CB-CG 3.99Å; D790-K1212 IonicContact OD1-NZ 3.49Å; D790-K1212 PolarHBondContact OD1-NZ 2.88Å; D790-K1212 IonicContact OD2-NZ 3Å; D790-K1212 PolarHBondContact OD2-NZ 3.38Å
791	F	96	Very high	94.1	Very high	9 Å²	9	37.1 Å²	37.1	4%	0.039	18%	0.18	C	C	.	.	H	α-helix	trans	-65.5	-41	175.2	-73.5	-68.7	0	0	0	112.3	I533 Y536 L620 M660 L767 A786 S787 Q793 D794 L795	I533-F791 HydrophobicContact CB-CE1 4.25Å; I533-F791 HydrophobicContact CG1-CE1 4.09Å; I533-F791 HydrophobicContact CG1-CZ 4.08Å; Y536-F791 HydrophobicContact CD2-CE1 4.3Å; Y536-F791 HydrophobicContact CD2-CZ 4.24Å; Y536-F791 HydrophobicContact CE1-CZ 4.15Å; Y536-F791 AromaticContact CE2-CE1 3.71Å; Y536-F791 HydrophobicContact CE2-CE1 3.71Å; Y536-F791 AromaticContact CE2-CZ 3.88Å; Y536-F791 HydrophobicContact CE2-CZ 3.88Å; Y536-F791 AromaticContact CZ-CE1 3.94Å; Y536-F791 AromaticContact CZ-CZ 3.83Å; L620-F791 HydrophobicContact CD2-CB 3.85Å; M660-F791 HydrophobicContact CE-CB 4.23Å; M660-F791 HydrophobicContact CE-CD2 3.42Å; M660-F791 VanDerWaalsContact CE-CD2 3.42Å; M660-F791 HydrophobicContact CE-CE2 3.88Å; M660-F791 HydrophobicContact CE-CG 3.81Å; L767-F791 HydrophobicContact CD2-CE2 3.74Å; L767-F791 HydrophobicContact CD2-CZ 3.51Å; A786-F791 HydrophobicContact CB-CD2 4.49Å; A786-F791 HydrophobicContact CB-CE2 3.78Å; A786-F791 HydrophobicContact CB-CZ 3.98Å; S787-F791 VanDerWaalsContact O-CD2 3.31Å; S787-F791 WeakPolarHBondContact O-CD2 3.49Å; S787-F791 PolarHBondContact O-N 2.79Å; F791-Q793 VanDerWaalsContact C-N 3.29Å; F791-Q793 PolarHBondContact O-N 2.91Å; F791-D794 PolarHBondContact O-N 3.24Å; F791-L795 VanDerWaalsContact O-CG 3.31Å; F791-L795 WeakPolarHBondContact O-CG 3.32Å; F791-L795 PolarHBondContact O-N 3.49Å
792	Q	96.2	Very high	94.3	Very high	38 Å²	38	35.7 Å²	35.7	18%	0.178	17%	0.17	C	C	.	.	H	α-helix	trans	-61.4	-39.8	173.1	-175.1	177.1	-67.2	0	0	111.4	F613 V615 T619 L620 F788 E789 L795 L796	F613-Q792 HydrophobicContact CZ-CG 4.34Å; V615-Q792 HydrophobicContact CG2-CG 4.25Å; T619-Q792 VanDerWaalsContact CA-OE1 3.28Å; L620-Q792 HydrophobicContact CB-CB 4.2Å; F788-Q792 WeakPolarHBondContact O-CB 3.25Å; F788-Q792 PolarHBondContact O-N 2.75Å; E789-Q792 PolarHBondContact O-N 2.86Å; Q792-L795 PolarHBondContact O-N 2.99Å; Q792-L796 HydrophobicContact CG-CD1 4.31Å; Q792-L796 WeakPolarHBondContact O-CB 3.41Å; Q792-L796 WeakPolarHBondContact O-CG 3.44Å; Q792-L796 PolarHBondContact O-N 3.17Å
793	Q	95.4	Very high	94.5	Very high	89 Å²	89	37.7 Å²	37.7	42%	0.416	18%	0.177	S	C	.	.	H	α-helix	trans	-69.6	-37.3	179.3	-171.5	53.1	86.1	0	0	112.6	E789 D790 F791 N797	E789-Q793 WeakPolarHBondContact O-CB 3.43Å; E789-Q793 PolarHBondContact O-N 3.09Å; D790-Q793 PolarHBondContact O-N 2.64Å; F791-Q793 VanDerWaalsContact C-N 3.29Å; F791-Q793 PolarHBondContact O-N 2.91Å; Q793-N797 PolarHBondContact NE2-OD1 2.85Å; Q793-N797 WeakPolarHBondContact O-CB 3.5Å; Q793-N797 PolarHBondContact O-N 2.86Å; Q793-N797 PolarHBondContact O-ND2 3.42Å; Q793-N797 VanDerWaalsContact O-ND2 3.15Å
794	D	94.7	Very high	94.7	Very high	18 Å²	18	40.9 Å²	40.9	10%	0.096	19%	0.194	C	C	.	.	H	α-helix	trans	-60.9	-49	170.3	-84.9	2.1	0	0	0	111.3	P530 D790 F791 L796 N797 L798 K1209	P530-D794 HydrophobicContact CB-CB 4.4Å; D790-D794 PolarHBondContact O-N 3.47Å; F791-D794 PolarHBondContact O-N 3.24Å; D794-L796 VanDerWaalsContact C-N 3.32Å; D794-L796 PolarHBondContact O-N 2.97Å; D794-N797 PolarHBondContact O-N 3.28Å; D794-L798 WeakPolarHBondContact O-CG 3.33Å; D794-L798 PolarHBondContact O-N 3.23Å; D794-K1209 IonicContact OD1-NZ 3.87Å; D794-K1209 PolarHBondContact OD1-NZ 3.17Å; D794-K1209 IonicContact OD2-NZ 3.04Å; D794-K1209 PolarHBondContact OD2-NZ 2.7Å
795	L	95.7	Very high	94.6	Very high	20 Å²	20	44.6 Å²	44.6	11%	0.105	22%	0.224	C	C	.	.	H	α-helix	trans	-59.9	-39.5	178.8	-71.7	167.5	0	0	0	112.6	Q491 L654 P655 P657 F791 Q792 L798 S799	Q491-L795 PolarHBondContact NE2-O 2.98Å; L654-L795 HydrophobicContact CD1-CB 4.08Å; P655-L795 HydrophobicContact CG-CD2 4.3Å; P655-L795 WeakPolarHBondContact O-CD1 3.33Å; P657-L795 HydrophobicContact CG-CD1 4.34Å; F791-L795 VanDerWaalsContact O-CG 3.31Å; F791-L795 WeakPolarHBondContact O-CG 3.32Å; F791-L795 PolarHBondContact O-N 3.49Å; Q792-L795 PolarHBondContact O-N 2.99Å; L795-L798 PolarHBondContact O-N 3.36Å; L795-S799 WeakPolarHBondContact O-CB 3.38Å; L795-S799 PolarHBondContact O-N 2.89Å
796	L	95.2	Very high	94.6	Very high	43 Å²	43	54.7 Å²	54.7	23%	0.225	26%	0.262	C	S	.	.	H	α-helix	trans	-63.2	-40.3	172.5	-83	164.9	0	0	0	112.4	V615 L654 Q792 D794 S799 K800	V615-L796 HydrophobicContact CB-CD2 4.5Å; V615-L796 HydrophobicContact CG1-CD2 3.93Å; V615-L796 HydrophobicContact CG2-CD1 4.06Å; V615-L796 HydrophobicContact CG2-CD2 3.94Å; V615-L796 HydrophobicContact CG2-CG 4.13Å; L654-L796 HydrophobicContact CD1-CD2 4.1Å; L654-L796 HydrophobicContact CD1-CG 3.96Å; Q792-L796 HydrophobicContact CG-CD1 4.31Å; Q792-L796 WeakPolarHBondContact O-CB 3.41Å; Q792-L796 WeakPolarHBondContact O-CG 3.44Å; Q792-L796 PolarHBondContact O-N 3.17Å; D794-L796 VanDerWaalsContact C-N 3.32Å; D794-L796 PolarHBondContact O-N 2.97Å; L796-S799 PolarHBondContact O-N 2.95Å; L796-K800 WeakPolarHBondContact O-CG 3.47Å; L796-K800 PolarHBondContact O-N 3.42Å; L796-K800 VanDerWaalsContact O-N 3.13Å
797	N	93.7	Very high	94.4	Very high	68 Å²	68	59.7 Å²	59.7	36%	0.364	28%	0.284	S	S	.	.	H	α-helix	trans	-70.7	-36.9	178.8	-70.7	-24.6	0	0	0	111.8	Q793 D794 K800	Q793-N797 PolarHBondContact NE2-OD1 2.85Å; Q793-N797 WeakPolarHBondContact O-CB 3.5Å; Q793-N797 PolarHBondContact O-N 2.86Å; Q793-N797 PolarHBondContact O-ND2 3.42Å; Q793-N797 VanDerWaalsContact O-ND2 3.15Å; D794-N797 PolarHBondContact O-N 3.28Å; N797-K800 PolarHBondContact OD1-NZ 3.49Å; N797-K800 VanDerWaalsContact OD1-NZ 3.13Å
798	L	94.7	Very high	94.2	Very high	20 Å²	20	63.9 Å²	63.9	11%	0.105	31%	0.311	C	S	.	.	H	α-helix	trans	-63.5	-46.3	170.4	-69	168.9	0	0	0	111.4	N493 P530 D794 L795 K800 R801 A802	N493-L798 HydrophobicContact CB-CD1 3.96Å; N493-L798 HydrophobicContact CB-CD2 3.98Å; N493-L798 WeakPolarHBondContact OD1-CD2 3.41Å; P530-L798 HydrophobicContact CB-CD2 4.35Å; P530-L798 HydrophobicContact CB-CG 4.39Å; D794-L798 WeakPolarHBondContact O-CG 3.33Å; D794-L798 PolarHBondContact O-N 3.23Å; L795-L798 PolarHBondContact O-N 3.36Å; L798-K800 PolarHBondContact O-N 2.89Å; L798-R801 CarbonylContact O-C 3.54Å; L798-R801 WeakPolarHBondContact O-CA 3.44Å; L798-R801 WeakPolarHBondContact O-CB 3.45Å; L798-R801 PolarHBondContact O-N 2.91Å; L798-A802 WeakPolarHBondContact O-CB 3.41Å; L798-A802 PolarHBondContact O-N 3.06Å
799	S	95.1	Very high	94.1	Very high	10 Å²	10	65.4 Å²	65.4	7%	0.07	32%	0.319	C	S	.	.	H	α-helix	trans	-58.3	-46.6	178.7	176.7	0	0	0	0	112.8	K651 L795 L796 R801 A802 W803	K651-S799 PolarHBondContact O-OG 2.92Å; L795-S799 WeakPolarHBondContact O-CB 3.38Å; L795-S799 PolarHBondContact O-N 2.89Å; L796-S799 PolarHBondContact O-N 2.95Å; S799-R801 PolarHBondContact O-N 2.81Å; S799-A802 PolarHBondContact O-N 2.88Å; S799-A802 VanDerWaalsContact O-N 3.08Å; S799-W803 PolarHBondContact O-N 3.19Å; S799-W803 PolarHBondContact OG-NE1 3.2Å
800	K	93.4	Very high	93.9	Very high	134 Å²	134	60.3 Å²	60.3	58%	0.583	30%	0.3	S	S	*	.	H	α-helix	trans	-53.1	-29.2	175.2	-70.9	167.3	-167.5	164.5	0	113.2	L796 N797 L798 L804	L796-K800 WeakPolarHBondContact O-CG 3.47Å; L796-K800 PolarHBondContact O-N 3.42Å; L796-K800 VanDerWaalsContact O-N 3.13Å; N797-K800 PolarHBondContact OD1-NZ 3.49Å; N797-K800 VanDerWaalsContact OD1-NZ 3.13Å; L798-K800 PolarHBondContact O-N 2.89Å; K800-L804 VanDerWaalsContact O-CD1 3.25Å; K800-L804 WeakPolarHBondContact O-CD1 3.38Å; K800-L804 WeakPolarHBondContact O-CG 3.36Å
801	R	93.7	Very high	93.8	Very high	84 Å²	84	65.5 Å²	65.5	32%	0.317	32%	0.323	S	S	.	.	H	α-helix	trans	-91	-39.8	176.3	179.6	-178.3	170.8	172.2	-0.7	112.6	L798 S799 W803 L804 K807 P808 S810	L798-R801 CarbonylContact O-C 3.54Å; L798-R801 WeakPolarHBondContact O-CA 3.44Å; L798-R801 WeakPolarHBondContact O-CB 3.45Å; L798-R801 PolarHBondContact O-N 2.91Å; S799-R801 PolarHBondContact O-N 2.81Å; R801-W803 PolarHBondContact O-N 2.98Å; R801-L804 PolarHBondContact O-N 3.49Å; R801-K807 HydrophobicContact CG-CB 4.21Å; R801-P808 PolarHBondContact NH2-O 3.49Å; R801-S810 PolarHBondContact NH1-OG 3.14Å; R801-S810 VanDerWaalsContact NH2-N 3.11Å; R801-S810 PolarHBondContact NH2-OG 2.89Å
802	A	95.1	Very high	93.5	Very high	0 Å²	0	66 Å²	66	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-55.5	-51	-173.4	0	0	0	0	0	111.9	K490 Q491 L798 S799 L804	K490-A802 HydrophobicContact CB-CB 3.87Å; K490-A802 VanDerWaalsContact CE-O 3.24Å; K490-A802 WeakPolarHBondContact CE-O 3.39Å; K490-A802 PolarHBondContact NZ-O 3.22Å; Q491-A802 HydrophobicContact CB-CB 4Å; L798-A802 WeakPolarHBondContact O-CB 3.41Å; L798-A802 PolarHBondContact O-N 3.06Å; S799-A802 PolarHBondContact O-N 2.88Å; S799-A802 VanDerWaalsContact O-N 3.08Å; A802-L804 PolarHBondContact O-N 3.43Å; A802-L804 VanDerWaalsContact O-N 3.17Å
803	W	94.4	Very high	93.4	Very high	69 Å²	69	64.2 Å²	64.2	26%	0.261	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	9.1	-174.8	-54.6	104.7	0	0	0	114.9	I649 A650 K651 S799 R801	I649-W803 HydrophobicContact CD1-CZ2 4.32Å; A650-W803 WeakPolarHBondContact O-CZ2 3.38Å; A650-W803 PolarHBondContact O-NE1 3.42Å; K651-W803 HydrophobicContact CB-CG 4.49Å; K651-W803 HydrophobicContact CD-CB 4.48Å; K651-W803 HydrophobicContact CG-CB 3.97Å; K651-W803 HydrophobicContact CG-CD2 3.67Å; K651-W803 HydrophobicContact CG-CE3 4.19Å; K651-W803 HydrophobicContact CG-CG 3.53Å; S799-W803 PolarHBondContact O-N 3.19Å; S799-W803 PolarHBondContact OG-NE1 3.2Å; R801-W803 PolarHBondContact O-N 2.98Å
804	L	93.6	Very high	93.2	Very high	70 Å²	70	61.2 Å²	61.2	37%	0.366	31%	0.309	S	S	.	.			trans	-98.6	103.7	172.2	-65.2	177.2	0	0	0	110.1	K490 K800 R801 A802 R806 K807	K490-L804 PolarHBondContact NZ-O 2.69Å; K800-L804 VanDerWaalsContact O-CD1 3.25Å; K800-L804 WeakPolarHBondContact O-CD1 3.38Å; K800-L804 WeakPolarHBondContact O-CG 3.36Å; R801-L804 PolarHBondContact O-N 3.49Å; A802-L804 PolarHBondContact O-N 3.43Å; A802-L804 VanDerWaalsContact O-N 3.17Å; L804-R806 VanDerWaalsContact C-N 3.26Å; L804-R806 PolarHBondContact O-N 3.22Å; L804-K807 HydrophobicContact CB-CB 4.21Å; L804-K807 HydrophobicContact CB-CG 4.16Å; L804-K807 HydrophobicContact CD1-CG 4.28Å; L804-K807 PolarHBondContact O-N 3.18Å
805	A	87	Confident	93.1	Very high	88 Å²	88	61.3 Å²	61.3	73%	0.727	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-40.6	178.1	0	0	0	0	0	112.9	K807	A805-K807 PolarHBondContact O-N 3.3Å
806	R	92.9	Very high	92.9	Very high	212 Å²	212	65.5 Å²	65.5	80%	0.8	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-7.7	176.9	71.5	172.6	-179.6	165.8	-1.2	115.6	L804	L804-R806 VanDerWaalsContact C-N 3.26Å; L804-R806 PolarHBondContact O-N 3.22Å
807	K	91	Very high	92.8	Very high	105 Å²	105	67.6 Å²	67.6	46%	0.457	33%	0.332	S	S	.	.	S	Bend	trans	-105.5	113.1	177.2	-74.3	-65.1	-171.6	176.8	0	108.5	K490 R801 L804 A805	K490-K807 WeakPolarHBondContact CD-O 3.3Å; K490-K807 PolarHBondContact NZ-O 2.84Å; K490-K807 VanDerWaalsContact NZ-O 3.14Å; R801-K807 HydrophobicContact CG-CB 4.21Å; L804-K807 HydrophobicContact CB-CB 4.21Å; L804-K807 HydrophobicContact CB-CG 4.16Å; L804-K807 HydrophobicContact CD1-CG 4.28Å; L804-K807 PolarHBondContact O-N 3.18Å; A805-K807 PolarHBondContact O-N 3.3Å
808	P	92.5	Very high	92.8	Very high	97 Å²	97	66.5 Å²	66.5	63%	0.63	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-70.3	170.9	176.7	30.8	-35.5	0	0	0	111.3	R801	R801-P808 PolarHBondContact NH2-O 3.49Å
809	I	93.8	Very high	92.6	Very high	38 Å²	38	73.3 Å²	73.3	20%	0.195	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-53.2	147.7	165.4	-59.6	170.4	0	0	0	108.9	Q489 K490 Y494 L499	Q489-I809 HydrophobicContact CB-CD1 4.33Å; K490-I809 HydrophobicContact CG-CG1 4.26Å; Y494-I809 VanDerWaalsContact O-CG2 3.29Å; Y494-I809 WeakPolarHBondContact O-CG2 3.33Å; L499-I809 HydrophobicContact CD1-CD1 4.27Å
810	S	91.9	Very high	92.2	Very high	40 Å²	40	76.3 Å²	76.3	28%	0.28	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-70.4	143.9	-179.4	-133.7	0	0	0	0	110.5	S495 A496 R801 G812	S495-S810 CarbonylContact C-O 3.38Å; S495-S810 VanDerWaalsContact CA-O 3.31Å; S495-S810 WeakPolarHBondContact CA-O 3.12Å; A496-S810 PolarHBondContact N-O 3.14Å; R801-S810 PolarHBondContact NH1-OG 3.14Å; R801-S810 VanDerWaalsContact NH2-N 3.11Å; R801-S810 PolarHBondContact NH2-OG 2.89Å; S810-G812 PolarHBondContact O-N 3.27Å
811	Q	93.3	Very high	92.1	Very high	124 Å²	124	70.9 Å²	70.9	58%	0.579	37%	0.374	S	S	*	.			trans	-60.7	-31.4	175.8	-170.9	59.3	28.5	0	0	111.5	E497 V818	E497-Q811 VanDerWaalsContact CB-O 3.29Å; E497-Q811 WeakPolarHBondContact CB-O 3.2Å; E497-Q811 PolarHBondContact N-O 3.48Å; Q811-V818 HydrophobicContact CB-CG1 4.48Å; Q811-V818 HydrophobicContact CG-CG1 4.2Å; Q811-V818 HydrophobicContact CG-CG2 4.41Å
812	G	90.8	Very high	92.1	Very high	19 Å²	19	67.5 Å²	67.5	20%	0.196	36%	0.362	C	S	.	.			trans	99.7	-139.1	-171.4	0	0	0	0	0	109.6	S810	S810-G812 PolarHBondContact O-N 3.27Å
813	G	92.9	Very high	92.1	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	37%	0.372	C	S	.	.			trans	124.8	14.5	-173.2	0	0	0	0	0	113	E497 K816 E822 H824	E497-G813 WeakPolarHBondContact OE2-CA 3.37Å; E497-G813 PolarHBondContact OE2-N 3.42Å; G813-K816 CarbonylContact C-O 3.57Å; G813-K816 VanDerWaalsContact CA-O 3.27Å; G813-K816 WeakPolarHBondContact CA-O 3.29Å; G813-E822 WeakPolarHBondContact O-CB 3.4Å; G813-H824 PolarHBondContact O-NE2 3.44Å
814	L	92.5	Very high	92.2	Very high	26 Å²	26	67 Å²	67	14%	0.136	36%	0.36	C	S	.	.	S	Bend	trans	-86.3	-41.7	179.1	177.6	57	0	0	0	111.3	E497 T521 R531 K1070	E497-L814 PolarHBondContact OE2-N 2.77Å; T521-L814 HydrophobicContact CG2-CD1 4.33Å; R531-L814 VanDerWaalsContact NH2-CD1 3.35Å; L814-K1070 HydrophobicContact CD1-CD 4.49Å; L814-K1070 WeakPolarHBondContact O-CE 3.45Å; L814-K1070 PolarHBondContact O-NZ 3.43Å
815	L	91.9	Very high	92.2	Very high	21 Å²	21	63.8 Å²	63.8	11%	0.11	34%	0.344	C	S	.	.	S	Bend	trans	-85.8	-34.6	-177.6	-49.4	175.2	0	0	0	111.3	E497 V502 L1066 K1070 R1137	E497-L815 VanDerWaalsContact CD-N 3.35Å; E497-L815 HydrophobicContact CG-CB 4.2Å; E497-L815 HydrophobicContact CG-CD1 3.86Å; E497-L815 HydrophobicContact CG-CG 4.04Å; E497-L815 WeakPolarHBondContact OE1-CA 3.44Å; E497-L815 VanDerWaalsContact OE1-CB 3.28Å; E497-L815 WeakPolarHBondContact OE1-CB 3.37Å; E497-L815 PolarHBondContact OE1-N 3.38Å; E497-L815 VanDerWaalsContact OE1-N 3.08Å; E497-L815 PolarHBondContact OE2-N 3.25Å; V502-L815 HydrophobicContact CG2-CD1 4.08Å; L815-L1066 HydrophobicContact CD1-CD1 3.91Å; L815-L1066 HydrophobicContact CD2-CD1 4.37Å; L815-K1070 HydrophobicContact CD2-CG 4.21Å; L815-R1137 WeakPolarHBondContact O-CD 3.33Å; L815-R1137 PolarHBondContact O-NE 2.99Å
816	K	91.3	Very high	92.6	Very high	108 Å²	108	60.1 Å²	60.1	47%	0.47	31%	0.311	S	S	.	.	S	Bend	trans	-138.1	147.8	179.1	-64.6	174.4	-175.1	166.3	0	110.8	E497 G813 V818	E497-K816 PolarHBondContact OE1-N 2.76Å; G813-K816 CarbonylContact C-O 3.57Å; G813-K816 VanDerWaalsContact CA-O 3.27Å; G813-K816 WeakPolarHBondContact CA-O 3.29Å; K816-V818 PolarHBondContact O-N 3.4Å
817	Y	93.6	Very high	92.7	Very high	86 Å²	86	50.8 Å²	50.8	34%	0.337	28%	0.277	S	S	.	.			trans	-57.6	124.5	176.9	172.1	-94.9	0	0	0	112.1	H819 H824 N827 P828	Y817-H819 HydrophobicContact CE1-CB 4.48Å; Y817-H819 PolarHBondContact OH-ND1 3.18Å; Y817-H824 VanDerWaalsContact CA-CD2 3.45Å; Y817-H824 WeakPolarHBondContact CA-CD2 3.44Å; Y817-H824 WeakPolarHBondContact CA-NE2 3.49Å; Y817-H824 HydrophobicContact CD2-CB 4.2Å; Y817-H824 PolarHBondContact N-NE2 2.82Å; Y817-N827 HydrophobicContact CD2-CB 4.03Å; Y817-N827 HydrophobicContact CE2-CB 3.9Å; Y817-P828 HydrophobicContact CD1-CG 4Å; Y817-P828 HydrophobicContact CE1-CG 3.72Å
818	V	93.3	Very high	92.9	Very high	45 Å²	45	49 Å²	49	27%	0.273	28%	0.276	S	S	.	.			trans	-124	130.8	169.9	176.4	0	0	0	0	107.8	Q811 K816 G820 G821	Q811-V818 HydrophobicContact CB-CG1 4.48Å; Q811-V818 HydrophobicContact CG-CG1 4.2Å; Q811-V818 HydrophobicContact CG-CG2 4.41Å; K816-V818 PolarHBondContact O-N 3.4Å; V818-G820 PolarHBondContact O-N 2.87Å; V818-G821 PolarHBondContact O-N 2.9Å
819	H	90.5	Very high	93.1	Very high	164 Å²	164	47.5 Å²	47.5	76%	0.759	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	123.8	179.9	-174.1	75.3	0	0	0	111.1	Y817 G821	Y817-H819 HydrophobicContact CE1-CB 4.48Å; Y817-H819 PolarHBondContact OH-ND1 3.18Å; H819-G821 VanDerWaalsContact C-N 3.3Å
820	G	87.3	Confident	93.2	Very high	73 Å²	73	45.8 Å²	45.8	75%	0.753	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	7.7	-173.9	0	0	0	0	0	115.4	V818	V818-G820 PolarHBondContact O-N 2.87Å
821	G	91.4	Very high	93.5	Very high	20 Å²	20	44.4 Å²	44.4	21%	0.206	24%	0.244	C	C	.	.	S	Bend	trans	-85.6	-139.6	172.8	0	0	0	0	0	113.1	Q529 V818 H819	Q529-G821 PolarHBondContact NE2-O 2.86Å; Q529-G821 VanDerWaalsContact NE2-O 3.17Å; V818-G821 PolarHBondContact O-N 2.9Å; H819-G821 VanDerWaalsContact C-N 3.3Å
822	E	93.6	Very high	93.7	Very high	13 Å²	13	45 Å²	45	6%	0.061	24%	0.241	C	C	.	.	S	Bend	trans	-71.7	149.6	169.3	-170.8	65	-73.4	0	0	110.5	T521 S527 R531 G813	T521-E822 HydrophobicContact CG2-CG 4.17Å; S527-E822 WeakPolarHBondContact CB-OE2 3.43Å; S527-E822 PolarHBondContact OG-OE1 3.12Å; S527-E822 VanDerWaalsContact OG-OE1 3.05Å; S527-E822 PolarHBondContact OG-OE2 2.93Å; R531-E822 IonicContact CZ-OE2 2.65Å; R531-E822 IonicContact NH1-OE2 3.11Å; R531-E822 PolarHBondContact NH1-OE2 3.36Å; G813-E822 WeakPolarHBondContact O-CB 3.4Å
823	Y	95	Very high	94	Very high	56 Å²	56	44.7 Å²	44.7	22%	0.22	24%	0.235	C	C	.	.			trans	-71.9	146.9	175.9	-175.9	-95.6	0	0	0	111.3	P522 R856 P857 T859	P522-Y823 WeakPolarHBondContact CD-O 3.21Å; Y823-R856 HydrophobicContact CE1-CB 4.4Å; Y823-R856 WeakPolarHBondContact OH-CB 3.32Å; Y823-P857 HydrophobicContact CD2-CG 4.39Å; Y823-P857 HydrophobicContact CE2-CG 4.42Å; Y823-T859 HydrophobicContact CD1-CG2 4.09Å; Y823-T859 WeakPolarHBondContact CD1-OG1 3.49Å; Y823-T859 HydrophobicContact CE1-CG2 4.36Å; Y823-T859 WeakPolarHBondContact CE1-OG1 3.48Å
824	H	95.6	Very high	94.2	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	24%	0.236	C	C	.	.			trans	-129.1	129.2	174.4	-81.6	-91.5	0	0	0	110	D520 T521 G813 Y817 Y826 N827 R1137	D520-H824 IonicContact OD1-CE1 3.3Å; D520-H824 IonicContact OD1-CG 3.66Å; D520-H824 IonicContact OD1-ND1 3.37Å; D520-H824 PolarHBondContact OD1-ND1 2.84Å; D520-H824 IonicContact OD2-CG 3.44Å; D520-H824 IonicContact OD2-ND1 2.81Å; D520-H824 PolarHBondContact OD2-ND1 3.04Å; T521-H824 WeakPolarHBondContact CG2-CE1 3.5Å; G813-H824 PolarHBondContact O-NE2 3.44Å; Y817-H824 VanDerWaalsContact CA-CD2 3.45Å; Y817-H824 WeakPolarHBondContact CA-CD2 3.44Å; Y817-H824 WeakPolarHBondContact CA-NE2 3.49Å; Y817-H824 HydrophobicContact CD2-CB 4.2Å; Y817-H824 PolarHBondContact N-NE2 2.82Å; H824-Y826 PolarHBondContact O-N 3.49Å; H824-N827 PolarHBondContact O-ND2 3.12Å; H824-R1137 PolarHBondContact CE1-NH2 3.08Å; H824-R1137 PolarHBondContact ND1-NH2 3.18Å
825	A	95.2	Very high	94.4	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.033	24%	0.24	C	C	.	.	S	Bend	trans	-67.8	-17.5	177.7	0	0	0	0	0	113.1	D520 T859	D520-A825 HydrophobicContact CB-CB 4.05Å; D520-A825 PolarHBondContact O-N 2.67Å; A825-T859 HydrophobicContact CB-CG2 4.39Å
826	Y	94.7	Very high	94.7	Very high	11 Å²	11	49.6 Å²	49.6	4%	0.043	26%	0.257	C	S	.	.	S	Bend	trans	-116.5	78.2	166.1	-72	-77.2	0	0	0	110.7	D520 H824 V830 K1105 T1125 G1126 V1129 Y1135	D520-Y826 HydrophobicContact CB-CD2 4.29Å; D520-Y826 PolarHBondContact OD2-N 2.95Å; H824-Y826 PolarHBondContact O-N 3.49Å; Y826-V830 HydrophobicContact CD1-CG1 4.46Å; Y826-K1105 HydrophobicContact CE1-CD 4.43Å; Y826-T1125 HydrophobicContact CD1-CG2 4.15Å; Y826-T1125 HydrophobicContact CD2-CG2 3.92Å; Y826-T1125 HydrophobicContact CE1-CG2 3.73Å; Y826-T1125 HydrophobicContact CE2-CG2 3.47Å; Y826-T1125 VanDerWaalsContact CE2-CG2 3.47Å; Y826-T1125 HydrophobicContact CG-CG2 4.23Å; Y826-G1126 PolarHBondContact OH-N 3.38Å; Y826-V1129 HydrophobicContact CD1-CG2 4.46Å; Y826-V1129 HydrophobicContact CE1-CG2 4.41Å; Y826-Y1135 VanDerWaalsContact CB-CE1 3.43Å; Y826-Y1135 HydrophobicContact CD2-CE1 4.44Å; Y826-Y1135 AromaticContact CD2-CE2 3.99Å; Y826-Y1135 HydrophobicContact CD2-CE2 3.99Å; Y826-Y1135 AromaticContact CD2-CZ 3.84Å; Y826-Y1135 HydrophobicContact CG-CD2 4.29Å; Y826-Y1135 HydrophobicContact CG-CE1 4.29Å; Y826-Y1135 HydrophobicContact CG-CE2 4.03Å; Y826-Y1135 WeakPolarHBondContact O-CD1 3.4Å
827	N	95.1	Very high	95	Very high	16 Å²	16	44.5 Å²	44.5	9%	0.086	24%	0.235	C	C	.	.			trans	-95.4	170.9	172.3	63.3	67.1	0	0	0	111.7	Y817 H824 D829 V830 V831	Y817-N827 HydrophobicContact CD2-CB 4.03Å; Y817-N827 HydrophobicContact CE2-CB 3.9Å; H824-N827 PolarHBondContact O-ND2 3.12Å; N827-D829 VanDerWaalsContact C-N 3.31Å; N827-D829 PolarHBondContact O-N 2.82Å; N827-D829 PolarHBondContact OD1-N 3.02Å; N827-V830 WeakPolarHBondContact ND2-CG2 3.18Å; N827-V830 PolarHBondContact O-N 2.95Å; N827-V830 PolarHBondContact OD1-N 3.31Å; N827-V831 WeakPolarHBondContact O-CG2 3.37Å; N827-V831 PolarHBondContact O-N 3.09Å
828	P	95.5	Very high	95.2	Very high	67 Å²	67	40.4 Å²	40.4	44%	0.435	22%	0.219	S	C	.	.	H	α-helix	trans	-59	-32.2	-175.2	-28.2	37	0	0	0	115.7	Y817 R832	Y817-P828 HydrophobicContact CD1-CG 4Å; Y817-P828 HydrophobicContact CE1-CG 3.72Å; P828-R832 VanDerWaalsContact O-CB 3.26Å; P828-R832 WeakPolarHBondContact O-CB 2.99Å; P828-R832 PolarHBondContact O-N 2.91Å
829	D	95.9	Very high	95.3	Very high	65 Å²	65	43.2 Å²	43.2	35%	0.348	23%	0.229	S	C	.	.	H	α-helix	trans	-75.1	-41.2	-179.1	-63.6	-56.9	0	0	0	111.5	N827 R832 T833 L852	N827-D829 VanDerWaalsContact C-N 3.31Å; N827-D829 PolarHBondContact O-N 2.82Å; N827-D829 PolarHBondContact OD1-N 3.02Å; D829-R832 PolarHBondContact O-N 3.33Å; D829-R832 IonicContact OD1-CZ 3.3Å; D829-R832 IonicContact OD1-NH1 3.04Å; D829-R832 PolarHBondContact OD1-NH1 3.07Å; D829-R832 IonicContact OD1-NH2 2.73Å; D829-R832 PolarHBondContact OD1-NH2 2.88Å; D829-T833 WeakPolarHBondContact O-CB 3.48Å; D829-T833 WeakPolarHBondContact O-CG2 3.47Å; D829-T833 PolarHBondContact O-N 2.91Å; D829-T833 PolarHBondContact O-OG1 3.12Å; D829-L852 HydrophobicContact CB-CD1 4.22Å
830	V	96.8	Very high	95.6	Very high	2 Å²	2	38 Å²	38	1%	0.012	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-41.9	172.5	174.7	0	0	0	0	111.2	Y826 N827 T833 L834 Y849 L852 V853	Y826-V830 HydrophobicContact CD1-CG1 4.46Å; N827-V830 WeakPolarHBondContact ND2-CG2 3.18Å; N827-V830 PolarHBondContact O-N 2.95Å; N827-V830 PolarHBondContact OD1-N 3.31Å; V830-T833 PolarHBondContact O-OG1 3.27Å; V830-L834 WeakPolarHBondContact O-CB 3.28Å; V830-L834 PolarHBondContact O-N 3.42Å; V830-Y849 HydrophobicContact CG1-CD2 4.24Å; V830-Y849 HydrophobicContact CG1-CE2 3.76Å; V830-L852 HydrophobicContact CG2-CB 4.26Å; V830-V853 HydrophobicContact CG1-CG2 3.86Å; V830-V853 HydrophobicContact CG2-CG2 4.39Å
831	V	96.9	Very high	96	Very high	12 Å²	12	36 Å²	36	7%	0.073	19%	0.19	C	C	.	.	H	α-helix	trans	-66.9	-43.9	177.9	169.9	0	0	0	0	111.6	N827 Q835 V1129	N827-V831 WeakPolarHBondContact O-CG2 3.37Å; N827-V831 PolarHBondContact O-N 3.09Å; V831-Q835 WeakPolarHBondContact O-CB 3.49Å; V831-Q835 WeakPolarHBondContact O-CG 3.39Å; V831-Q835 PolarHBondContact O-N 2.76Å; V831-Q835 VanDerWaalsContact O-N 3.16Å; V831-V1129 HydrophobicContact CB-CG1 4.47Å; V831-V1129 HydrophobicContact CG1-CG1 4.08Å; V831-V1129 HydrophobicContact CG2-CG1 4.47Å
832	R	97.2	Very high	96.3	Very high	137 Å²	137	40.6 Å²	40.6	52%	0.517	21%	0.207	S	C	.	.	H	α-helix	trans	-65.6	-47.9	-179.1	-177.4	-178.8	69	-115.6	-8.3	112.1	P828 D829 Q835 Q836	P828-R832 VanDerWaalsContact O-CB 3.26Å; P828-R832 WeakPolarHBondContact O-CB 2.99Å; P828-R832 PolarHBondContact O-N 2.91Å; D829-R832 PolarHBondContact O-N 3.33Å; D829-R832 IonicContact OD1-CZ 3.3Å; D829-R832 IonicContact OD1-NH1 3.04Å; D829-R832 PolarHBondContact OD1-NH1 3.07Å; D829-R832 IonicContact OD1-NH2 2.73Å; D829-R832 PolarHBondContact OD1-NH2 2.88Å; R832-Q835 PolarHBondContact O-N 2.82Å; R832-Q836 PolarHBondContact O-N 2.95Å
833	T	97.9	Very high	96.5	Very high	11 Å²	11	40.9 Å²	40.9	7%	0.067	21%	0.207	C	C	.	.	H	α-helix	trans	-65.7	-41.6	-178	48.1	0	0	0	0	111.9	D829 V830 Q835 Q836 A837 E848 L852	D829-T833 WeakPolarHBondContact O-CB 3.48Å; D829-T833 WeakPolarHBondContact O-CG2 3.47Å; D829-T833 PolarHBondContact O-N 2.91Å; D829-T833 PolarHBondContact O-OG1 3.12Å; V830-T833 PolarHBondContact O-OG1 3.27Å; T833-Q835 PolarHBondContact O-N 3.42Å; T833-Q836 PolarHBondContact O-N 2.8Å; T833-A837 PolarHBondContact O-N 3.47Å; T833-E848 HydrophobicContact CG2-CG 4.38Å; T833-L852 HydrophobicContact CG2-CD1 3.74Å
834	L	97.7	Very high	96.6	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-58.8	-46.8	172.9	-179.1	51.4	0	0	0	112	V830 Q836 A837 V838 Y849 V1129 Y1170	V830-L834 WeakPolarHBondContact O-CB 3.28Å; V830-L834 PolarHBondContact O-N 3.42Å; L834-Q836 VanDerWaalsContact C-N 3.31Å; L834-Q836 PolarHBondContact O-N 2.65Å; L834-A837 PolarHBondContact O-N 2.78Å; L834-V838 HydrophobicContact CD1-CG1 3.98Å; L834-V838 WeakPolarHBondContact O-CG2 3.41Å; L834-V838 PolarHBondContact O-N 2.95Å; L834-V838 VanDerWaalsContact O-N 3.13Å; L834-Y849 HydrophobicContact CB-CD2 3.6Å; L834-Y849 HydrophobicContact CB-CE2 3.67Å; L834-Y849 HydrophobicContact CB-CG 4.2Å; L834-Y849 HydrophobicContact CD1-CD1 4.27Å; L834-Y849 HydrophobicContact CD1-CD2 4.43Å; L834-Y849 HydrophobicContact CD1-CE1 4.08Å; L834-Y849 HydrophobicContact CD1-CE2 4.23Å; L834-Y849 HydrophobicContact CD1-CG 4.43Å; L834-Y849 HydrophobicContact CD2-CE2 3.96Å; L834-Y849 HydrophobicContact CG-CD2 4.44Å; L834-Y849 HydrophobicContact CG-CE2 4.16Å; L834-V1129 HydrophobicContact CB-CG1 4.3Å; L834-V1129 HydrophobicContact CD2-CB 3.89Å; L834-V1129 HydrophobicContact CD2-CG1 3.68Å; L834-V1129 HydrophobicContact CG-CG1 4.12Å; L834-Y1170 HydrophobicContact CD1-CD2 3.52Å; L834-Y1170 HydrophobicContact CD1-CE2 3.67Å; L834-Y1170 HydrophobicContact CD2-CE2 4.31Å
835	Q	96.7	Very high	96.7	Very high	48 Å²	48	43.5 Å²	43.5	22%	0.224	23%	0.231	C	C	.	.	H	α-helix	trans	-65.2	-33	179.5	-77.1	-179.4	-4.5	0	0	113.1	V831 R832 T833 Q839 V1129 G1132 C1133	V831-Q835 WeakPolarHBondContact O-CB 3.49Å; V831-Q835 WeakPolarHBondContact O-CG 3.39Å; V831-Q835 PolarHBondContact O-N 2.76Å; V831-Q835 VanDerWaalsContact O-N 3.16Å; R832-Q835 PolarHBondContact O-N 2.82Å; T833-Q835 PolarHBondContact O-N 3.42Å; Q835-Q839 WeakPolarHBondContact O-CB 3.45Å; Q835-Q839 PolarHBondContact O-N 2.98Å; Q835-V1129 HydrophobicContact CG-CG1 4.09Å; Q835-V1129 WeakPolarHBondContact CG-O 3.47Å; Q835-V1129 PolarHBondContact NE2-O 3.14Å; Q835-G1132 VanDerWaalsContact NE2-C 3.34Å; Q835-C1133 PolarHBondContact NE2-O 3.16Å
836	Q	97.4	Very high	96.8	Very high	102 Å²	102	43.3 Å²	43.3	48%	0.477	23%	0.229	S	C	.	.	H	α-helix	trans	-65.1	-53.2	172.2	-179.8	176.6	-32.6	0	0	110.8	R832 T833 L834 V838 Q839 S840 D845	R832-Q836 PolarHBondContact O-N 2.95Å; T833-Q836 PolarHBondContact O-N 2.8Å; L834-Q836 VanDerWaalsContact C-N 3.31Å; L834-Q836 PolarHBondContact O-N 2.65Å; Q836-V838 PolarHBondContact O-N 3.39Å; Q836-Q839 PolarHBondContact O-N 2.9Å; Q836-Q839 VanDerWaalsContact O-N 3.07Å; Q836-S840 PolarHBondContact O-N 2.88Å; Q836-S840 PolarHBondContact O-OG 3.27Å; Q836-D845 PolarHBondContact NE2-OD1 2.95Å
837	A	97.8	Very high	97	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57.3	-47.4	-176.5	0	0	0	0	0	113.5	T833 L834 Q839 S840 G841 D845 F1173	T833-A837 PolarHBondContact O-N 3.47Å; L834-A837 PolarHBondContact O-N 2.78Å; A837-Q839 PolarHBondContact O-N 2.81Å; A837-S840 PolarHBondContact O-N 2.67Å; A837-S840 PolarHBondContact O-OG 2.78Å; A837-G841 PolarHBondContact O-N 3.47Å; A837-D845 HydrophobicContact CB-CB 3.77Å; A837-F1173 HydrophobicContact CB-CE2 4.21Å; A837-F1173 WeakPolarHBondContact O-CE2 3.46Å
838	V	97.5	Very high	97.1	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-70.1	-22.1	-180	-58.4	0	0	0	0	113.1	L834 Q836 A1130 K1166 N1169	L834-V838 HydrophobicContact CD1-CG1 3.98Å; L834-V838 WeakPolarHBondContact O-CG2 3.41Å; L834-V838 PolarHBondContact O-N 2.95Å; L834-V838 VanDerWaalsContact O-N 3.13Å; Q836-V838 PolarHBondContact O-N 3.39Å; V838-A1130 HydrophobicContact CB-CB 4.41Å; V838-A1130 HydrophobicContact CG1-CB 3.95Å; V838-A1130 HydrophobicContact CG2-CB 4.14Å; V838-K1166 HydrophobicContact CB-CB 4.07Å; V838-K1166 WeakPolarHBondContact CB-O 3.49Å; V838-K1166 WeakPolarHBondContact CG1-O 3.49Å; V838-K1166 HydrophobicContact CG2-CB 4Å; V838-K1166 HydrophobicContact CG2-CG 4.41Å; V838-N1169 PolarHBondContact O-ND2 3.15Å
839	Q	96.6	Very high	97.2	Very high	103 Å²	103	48.7 Å²	48.7	48%	0.481	25%	0.248	S	C	.	.	H	α-helix	trans	-87.6	-31.6	179.8	-179.8	60.3	81.7	0	0	112.5	Q835 Q836 A837	Q835-Q839 WeakPolarHBondContact O-CB 3.45Å; Q835-Q839 PolarHBondContact O-N 2.98Å; Q836-Q839 PolarHBondContact O-N 2.9Å; Q836-Q839 VanDerWaalsContact O-N 3.07Å; A837-Q839 PolarHBondContact O-N 2.81Å
840	S	96.5	Very high	97.3	Very high	55 Å²	55	45.8 Å²	45.8	39%	0.385	23%	0.234	S	C	.	.	H	α-helix	trans	-80.4	-37.7	174.4	60.4	0	0	0	0	112.4	Q836 A837 E842 D845	Q836-S840 PolarHBondContact O-N 2.88Å; Q836-S840 PolarHBondContact O-OG 3.27Å; A837-S840 PolarHBondContact O-N 2.67Å; A837-S840 PolarHBondContact O-OG 2.78Å; S840-E842 VanDerWaalsContact C-N 3.25Å; S840-E842 PolarHBondContact OG-N 2.84Å; S840-D845 VanDerWaalsContact CB-OD2 3.29Å; S840-D845 WeakPolarHBondContact CB-OD2 3.45Å; S840-D845 PolarHBondContact OG-OD2 2.8Å
841	G	95.2	Very high	97.3	Very high	30 Å²	30	50.5 Å²	50.5	31%	0.309	25%	0.254	S	S	.	.			trans	80.7	5	-170.6	0	0	0	0	0	113.5	A837	A837-G841 PolarHBondContact O-N 3.47Å
842	E	97.4	Very high	97.3	Very high	118 Å²	118	52.9 Å²	52.9	55%	0.551	27%	0.266	S	S	*	.			trans	-92.6	125.6	-178.4	-67	-60.9	158.6	0	0	112.3	S840 S844 D845 Y846	S840-E842 VanDerWaalsContact C-N 3.25Å; S840-E842 PolarHBondContact OG-N 2.84Å; E842-S844 PolarHBondContact O-N 3.13Å; E842-D845 PolarHBondContact O-N 2.96Å; E842-D845 VanDerWaalsContact O-N 3.16Å; E842-Y846 PolarHBondContact O-N 2.97Å
843	Y	97.4	Very high	97.3	Very high	18 Å²	18	46.4 Å²	46.4	7%	0.071	24%	0.242	C	C	.	.	H	α-helix	trans	-64.3	-25.6	-178.5	-174.1	-121.5	0	0	0	113.2	D845 Y846 Q847 F1173 R1176 E1177 E1180	Y843-D845 VanDerWaalsContact C-N 3.34Å; Y843-D845 PolarHBondContact O-N 2.91Å; Y843-Y846 AromaticContact CD2-CD1 3.97Å; Y843-Y846 HydrophobicContact CD2-CD1 3.97Å; Y843-Y846 HydrophobicContact CD2-CG 4.42Å; Y843-Y846 AromaticContact CE2-CD1 3.64Å; Y843-Y846 HydrophobicContact CE2-CD1 3.64Å; Y843-Y846 HydrophobicContact CE2-CE1 4.19Å; Y843-Y846 HydrophobicContact CE2-CG 4.49Å; Y843-Y846 WeakPolarHBondContact O-CB 3.34Å; Y843-Y846 PolarHBondContact O-N 2.92Å; Y843-Q847 HydrophobicContact CD1-CG 4.24Å; Y843-Q847 HydrophobicContact CE1-CG 4.07Å; Y843-Q847 WeakPolarHBondContact O-CG 3.27Å; Y843-Q847 PolarHBondContact O-N 3.49Å; Y843-F1173 HydrophobicContact CD2-CB 4.16Å; Y843-F1173 AromaticContact CD2-CD1 3.71Å; Y843-F1173 HydrophobicContact CD2-CD1 3.71Å; Y843-F1173 HydrophobicContact CD2-CE1 4.43Å; Y843-F1173 HydrophobicContact CD2-CG 4.17Å; Y843-F1173 HydrophobicContact CE2-CB 4.32Å; Y843-R1176 HydrophobicContact CD2-CG 4.49Å; Y843-R1176 HydrophobicContact CE1-CG 4.15Å; Y843-R1176 VanDerWaalsContact CE1-NE 3.31Å; Y843-R1176 HydrophobicContact CE2-CB 4.05Å; Y843-R1176 HydrophobicContact CE2-CG 3.95Å; Y843-E1177 WeakPolarHBondContact OH-CA 3.44Å; Y843-E1177 PolarHBondContact OH-N 3.39Å; Y843-E1180 WeakPolarHBondContact CE1-OE1 3.44Å; Y843-E1180 WeakPolarHBondContact CE1-OE2 3.42Å; Y843-E1180 PolarHBondContact OH-OE2 3.27Å
844	S	97.5	Very high	97.2	Very high	73 Å²	73	48.6 Å²	48.6	51%	0.51	25%	0.253	S	S	.	.	H	α-helix	trans	-65.6	-34.6	175.6	53.2	0	0	0	0	113.1	E842 Y846 Q847 E848	E842-S844 PolarHBondContact O-N 3.13Å; S844-Y846 VanDerWaalsContact C-N 3.32Å; S844-Q847 PolarHBondContact O-N 3.39Å; S844-E848 PolarHBondContact O-N 2.79Å
845	D	97.6	Very high	97	Very high	39 Å²	39	55.3 Å²	55.3	21%	0.209	28%	0.284	C	S	.	.	H	α-helix	trans	-68.8	-36.1	173.8	-75.1	-24.7	0	0	0	110.6	Q836 A837 S840 E842 Y843 Q847 E848 Y849	Q836-D845 PolarHBondContact NE2-OD1 2.95Å; A837-D845 HydrophobicContact CB-CB 3.77Å; S840-D845 VanDerWaalsContact CB-OD2 3.29Å; S840-D845 WeakPolarHBondContact CB-OD2 3.45Å; S840-D845 PolarHBondContact OG-OD2 2.8Å; E842-D845 PolarHBondContact O-N 2.96Å; E842-D845 VanDerWaalsContact O-N 3.16Å; Y843-D845 VanDerWaalsContact C-N 3.34Å; Y843-D845 PolarHBondContact O-N 2.91Å; D845-Q847 VanDerWaalsContact C-N 3.34Å; D845-E848 PolarHBondContact O-N 2.86Å; D845-Y849 PolarHBondContact O-N 3.21Å
846	Y	97.9	Very high	96.8	Very high	1 Å²	1	54 Å²	54	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-64.7	-37.8	173.2	178	-94	0	0	0	112	E842 Y843 S844 E848 Y849 A850 F1173 I1174 E1177	E842-Y846 PolarHBondContact O-N 2.97Å; Y843-Y846 AromaticContact CD2-CD1 3.97Å; Y843-Y846 HydrophobicContact CD2-CD1 3.97Å; Y843-Y846 HydrophobicContact CD2-CG 4.42Å; Y843-Y846 AromaticContact CE2-CD1 3.64Å; Y843-Y846 HydrophobicContact CE2-CD1 3.64Å; Y843-Y846 HydrophobicContact CE2-CE1 4.19Å; Y843-Y846 HydrophobicContact CE2-CG 4.49Å; Y843-Y846 WeakPolarHBondContact O-CB 3.34Å; Y843-Y846 PolarHBondContact O-N 2.92Å; S844-Y846 VanDerWaalsContact C-N 3.32Å; Y846-E848 VanDerWaalsContact C-N 3.31Å; Y846-E848 PolarHBondContact O-N 3.4Å; Y846-Y849 AromaticContact CD2-CD1 3.78Å; Y846-Y849 HydrophobicContact CD2-CD1 3.78Å; Y846-Y849 HydrophobicContact CD2-CE1 4.32Å; Y846-Y849 AromaticContact CE2-CD1 3.65Å; Y846-Y849 HydrophobicContact CE2-CD1 3.65Å; Y846-Y849 AromaticContact CE2-CE1 3.76Å; Y846-Y849 HydrophobicContact CE2-CE1 3.76Å; Y846-Y849 WeakPolarHBondContact O-CB 3.26Å; Y846-Y849 PolarHBondContact O-N 3.16Å; Y846-A850 HydrophobicContact CD1-CB 4.29Å; Y846-A850 HydrophobicContact CE1-CB 3.93Å; Y846-A850 WeakPolarHBondContact O-CB 3.32Å; Y846-A850 PolarHBondContact O-N 3.5Å; Y846-F1173 HydrophobicContact CD1-CB 3.76Å; Y846-F1173 HydrophobicContact CD1-CG 4.42Å; Y846-F1173 HydrophobicContact CD2-CB 3.46Å; Y846-F1173 VanDerWaalsContact CD2-CB 3.46Å; Y846-F1173 AromaticContact CD2-CD2 3.58Å; Y846-F1173 HydrophobicContact CD2-CD2 3.58Å; Y846-F1173 AromaticContact CD2-CG 3.89Å; Y846-F1173 HydrophobicContact CD2-CG 3.89Å; Y846-F1173 HydrophobicContact CE1-CB 4.03Å; Y846-F1173 HydrophobicContact CE2-CB 3.73Å; Y846-F1173 HydrophobicContact CE2-CD2 4.48Å; Y846-F1173 HydrophobicContact CG-CB 3.46Å; Y846-F1173 VanDerWaalsContact CG-CB 3.46Å; Y846-F1173 AromaticContact CG-CD2 3.76Å; Y846-F1173 HydrophobicContact CG-CD2 3.76Å; Y846-F1173 AromaticContact CG-CG 3.78Å; Y846-F1173 HydrophobicContact CG-CG 3.78Å; Y846-I1174 HydrophobicContact CE2-CG1 4.29Å; Y846-I1174 WeakPolarHBondContact OH-CG1 3.21Å; Y846-E1177 HydrophobicContact CE1-CB 4.17Å; Y846-E1177 WeakPolarHBondContact CE1-OE2 3.31Å; Y846-E1177 PolarHBondContact OH-OE2 3.08Å
847	Q	98.1	Very high	96.5	Very high	100 Å²	100	52.8 Å²	52.8	47%	0.467	28%	0.278	S	S	.	.	H	α-helix	trans	-62.5	-35.7	177.3	-73.2	178.3	-46.4	0	0	112.4	Y843 S844 D845 A850 K851	Y843-Q847 HydrophobicContact CD1-CG 4.24Å; Y843-Q847 HydrophobicContact CE1-CG 4.07Å; Y843-Q847 WeakPolarHBondContact O-CG 3.27Å; Y843-Q847 PolarHBondContact O-N 3.49Å; S844-Q847 PolarHBondContact O-N 3.39Å; D845-Q847 VanDerWaalsContact C-N 3.34Å; Q847-A850 PolarHBondContact O-N 3.29Å; Q847-K851 VanDerWaalsContact O-CB 3.27Å; Q847-K851 WeakPolarHBondContact O-CB 3.39Å; Q847-K851 PolarHBondContact O-N 2.91Å
848	E	97.5	Very high	96.3	Very high	106 Å²	106	53 Å²	53	50%	0.495	28%	0.28	S	S	.	.	H	α-helix	trans	-67.8	-41.2	173.9	-172.6	67	-175.7	0	0	111.8	T833 S844 D845 Y846 K851 L852	T833-E848 HydrophobicContact CG2-CG 4.38Å; S844-E848 PolarHBondContact O-N 2.79Å; D845-E848 PolarHBondContact O-N 2.86Å; Y846-E848 VanDerWaalsContact C-N 3.31Å; Y846-E848 PolarHBondContact O-N 3.4Å; E848-K851 PolarHBondContact O-N 2.81Å; E848-L852 WeakPolarHBondContact O-CG 3.5Å; E848-L852 PolarHBondContact O-N 2.89Å
849	Y	97.9	Very high	96.1	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.5	-50.7	170.4	159.2	-102.9	0	0	0	112	V830 L834 D845 Y846 K851 L852 V853 K1105 T1106 Y1170	V830-Y849 HydrophobicContact CG1-CD2 4.24Å; V830-Y849 HydrophobicContact CG1-CE2 3.76Å; L834-Y849 HydrophobicContact CB-CD2 3.6Å; L834-Y849 HydrophobicContact CB-CE2 3.67Å; L834-Y849 HydrophobicContact CB-CG 4.2Å; L834-Y849 HydrophobicContact CD1-CD1 4.27Å; L834-Y849 HydrophobicContact CD1-CD2 4.43Å; L834-Y849 HydrophobicContact CD1-CE1 4.08Å; L834-Y849 HydrophobicContact CD1-CE2 4.23Å; L834-Y849 HydrophobicContact CD1-CG 4.43Å; L834-Y849 HydrophobicContact CD2-CE2 3.96Å; L834-Y849 HydrophobicContact CG-CD2 4.44Å; L834-Y849 HydrophobicContact CG-CE2 4.16Å; D845-Y849 PolarHBondContact O-N 3.21Å; Y846-Y849 AromaticContact CD2-CD1 3.78Å; Y846-Y849 HydrophobicContact CD2-CD1 3.78Å; Y846-Y849 HydrophobicContact CD2-CE1 4.32Å; Y846-Y849 AromaticContact CE2-CD1 3.65Å; Y846-Y849 HydrophobicContact CE2-CD1 3.65Å; Y846-Y849 AromaticContact CE2-CE1 3.76Å; Y846-Y849 HydrophobicContact CE2-CE1 3.76Å; Y846-Y849 WeakPolarHBondContact O-CB 3.26Å; Y846-Y849 PolarHBondContact O-N 3.16Å; Y849-K851 VanDerWaalsContact C-N 3.27Å; Y849-K851 PolarHBondContact O-N 3.28Å; Y849-L852 PolarHBondContact O-N 3.32Å; Y849-V853 HydrophobicContact CD2-CG2 4.07Å; Y849-V853 HydrophobicContact CE1-CG2 4.5Å; Y849-V853 HydrophobicContact CE2-CG2 3.61Å; Y849-V853 WeakPolarHBondContact O-CG2 3.23Å; Y849-V853 PolarHBondContact O-N 3.34Å; Y849-V853 VanDerWaalsContact O-N 3.12Å; Y849-K1105 WeakPolarHBondContact OH-CB 3.49Å; Y849-K1105 PolarHBondContact OH-O 2.82Å; Y849-T1106 HydrophobicContact CE1-CG2 4.09Å; Y849-Y1170 HydrophobicContact CE1-CE2 4.36Å
850	A	97.6	Very high	95.9	Very high	5 Å²	5	48.4 Å²	48.4	4%	0.041	26%	0.259	C	S	.	.	H	α-helix	trans	-62.1	-38.3	-177.9	0	0	0	0	0	110.7	Y846 Q847 V853 N854 T1106	Y846-A850 HydrophobicContact CD1-CB 4.29Å; Y846-A850 HydrophobicContact CE1-CB 3.93Å; Y846-A850 WeakPolarHBondContact O-CB 3.32Å; Y846-A850 PolarHBondContact O-N 3.5Å; Q847-A850 PolarHBondContact O-N 3.29Å; A850-V853 PolarHBondContact O-N 3.02Å; A850-N854 WeakPolarHBondContact O-CB 3.45Å; A850-N854 PolarHBondContact O-N 2.81Å; A850-N854 PolarHBondContact O-ND2 3.19Å; A850-T1106 HydrophobicContact CB-CG2 3.94Å
851	K	97.4	Very high	95.8	Very high	100 Å²	100	46 Å²	46	44%	0.435	24%	0.241	S	C	.	.	H	α-helix	trans	-59	-51	173.3	-171.5	-177.9	178.6	-174.9	0	112.5	Q847 E848 Y849 V853 N854 E855	Q847-K851 VanDerWaalsContact O-CB 3.27Å; Q847-K851 WeakPolarHBondContact O-CB 3.39Å; Q847-K851 PolarHBondContact O-N 2.91Å; E848-K851 PolarHBondContact O-N 2.81Å; Y849-K851 VanDerWaalsContact C-N 3.27Å; Y849-K851 PolarHBondContact O-N 3.28Å; K851-V853 PolarHBondContact O-N 2.91Å; K851-N854 PolarHBondContact O-N 2.85Å; K851-E855 VanDerWaalsContact CE-CD 3.42Å; K851-E855 VanDerWaalsContact CE-OE1 3.31Å; K851-E855 WeakPolarHBondContact CE-OE1 3.45Å; K851-E855 WeakPolarHBondContact CE-OE2 3.37Å; K851-E855 VanDerWaalsContact CG-CD 3.44Å; K851-E855 HydrophobicContact CG-CG 4.09Å; K851-E855 WeakPolarHBondContact CG-OE2 3.43Å; K851-E855 WeakPolarHBondContact O-CB 3.48Å; K851-E855 PolarHBondContact O-N 2.76Å
852	L	96.7	Very high	95.7	Very high	62 Å²	62	44.5 Å²	44.5	33%	0.325	23%	0.227	S	C	.	.	H	α-helix	trans	-58.8	-31	177	-70.4	174.5	0	0	0	113.1	D829 V830 T833 E848 Y849	D829-L852 HydrophobicContact CB-CD1 4.22Å; V830-L852 HydrophobicContact CG2-CB 4.26Å; T833-L852 HydrophobicContact CG2-CD1 3.74Å; E848-L852 WeakPolarHBondContact O-CG 3.5Å; E848-L852 PolarHBondContact O-N 2.89Å; Y849-L852 PolarHBondContact O-N 3.32Å
853	V	96.7	Very high	95.6	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.012	21%	0.207	C	C	.	.	H	α-helix	trans	-82.1	-41.2	178.6	173.3	0	0	0	0	112.1	V830 Y849 A850 K851 R856 K1105 T1106	V830-V853 HydrophobicContact CG1-CG2 3.86Å; V830-V853 HydrophobicContact CG2-CG2 4.39Å; Y849-V853 HydrophobicContact CD2-CG2 4.07Å; Y849-V853 HydrophobicContact CE1-CG2 4.5Å; Y849-V853 HydrophobicContact CE2-CG2 3.61Å; Y849-V853 WeakPolarHBondContact O-CG2 3.23Å; Y849-V853 PolarHBondContact O-N 3.34Å; Y849-V853 VanDerWaalsContact O-N 3.12Å; A850-V853 PolarHBondContact O-N 3.02Å; K851-V853 PolarHBondContact O-N 2.91Å; V853-R856 VanDerWaalsContact O-CD 3.31Å; V853-R856 WeakPolarHBondContact O-CD 3.36Å; V853-R856 VanDerWaalsContact O-CG 3.23Å; V853-R856 WeakPolarHBondContact O-CG 3.41Å; V853-R856 PolarHBondContact O-NH1 3.41Å; V853-K1105 HydrophobicContact CG1-CB 3.74Å; V853-K1105 HydrophobicContact CG1-CD 3.76Å; V853-K1105 HydrophobicContact CG1-CG 4.4Å; V853-K1105 HydrophobicContact CG2-CD 4.22Å; V853-T1106 HydrophobicContact CB-CG2 3.95Å; V853-T1106 HydrophobicContact CG1-CG2 3.74Å
854	N	95.5	Very high	95.5	Very high	57 Å²	57	39.4 Å²	39.4	31%	0.305	20%	0.204	S	C	.	.	H	α-helix	trans	-84.9	-28.6	-172.6	-65.8	-18.5	0	0	0	112.7	A850 K851 T1106 V1108 E1177	A850-N854 WeakPolarHBondContact O-CB 3.45Å; A850-N854 PolarHBondContact O-N 2.81Å; A850-N854 PolarHBondContact O-ND2 3.19Å; K851-N854 PolarHBondContact O-N 2.85Å; N854-T1106 WeakPolarHBondContact OD1-CB 3.34Å; N854-T1106 PolarHBondContact OD1-OG1 3.16Å; N854-V1108 WeakPolarHBondContact ND2-CG2 3.33Å; N854-E1177 PolarHBondContact ND2-OE1 2.95Å
855	E	94.2	Very high	95.3	Very high	142 Å²	142	36 Å²	36	66%	0.664	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	18.7	177.2	-59.6	-178.5	-179.7	0	0	112.8	K851	K851-E855 VanDerWaalsContact CE-CD 3.42Å; K851-E855 VanDerWaalsContact CE-OE1 3.31Å; K851-E855 WeakPolarHBondContact CE-OE1 3.45Å; K851-E855 WeakPolarHBondContact CE-OE2 3.37Å; K851-E855 VanDerWaalsContact CG-CD 3.44Å; K851-E855 HydrophobicContact CG-CG 4.09Å; K851-E855 WeakPolarHBondContact CG-OE2 3.43Å; K851-E855 WeakPolarHBondContact O-CB 3.48Å; K851-E855 PolarHBondContact O-N 2.76Å
856	R	92.6	Very high	95.2	Very high	21 Å²	21	35.5 Å²	35.5	8%	0.079	18%	0.181	C	C	.	.			trans	-67.1	156.2	-178.7	67.6	179.6	174.2	-108.7	4.1	113	Y823 V853 T860 D863 D1109	Y823-R856 HydrophobicContact CE1-CB 4.4Å; Y823-R856 WeakPolarHBondContact OH-CB 3.32Å; V853-R856 VanDerWaalsContact O-CD 3.31Å; V853-R856 WeakPolarHBondContact O-CD 3.36Å; V853-R856 VanDerWaalsContact O-CG 3.23Å; V853-R856 WeakPolarHBondContact O-CG 3.41Å; V853-R856 PolarHBondContact O-NH1 3.41Å; R856-T860 PolarHBondContact NH2-OG1 2.93Å; R856-D863 IonicContact CZ-OD1 2.66Å; R856-D863 IonicContact CZ-OD2 3.95Å; R856-D863 VanDerWaalsContact NE-CG 3.27Å; R856-D863 IonicContact NE-OD1 3.72Å; R856-D863 PolarHBondContact NE-OD1 3.42Å; R856-D863 IonicContact NE-OD2 3.48Å; R856-D863 PolarHBondContact NE-OD2 2.97Å; R856-D863 IonicContact NH2-OD1 2.69Å; R856-D863 PolarHBondContact NH2-OD1 3.47Å; R856-D863 IonicContact NH2-OD2 3.39Å; R856-D1109 IonicContact NH2-OD1 2.78Å
857	P	91.7	Very high	95	Very high	75 Å²	75	37.5 Å²	37.5	49%	0.487	19%	0.192	S	C	.	.			trans	-57.3	150.2	165	-20.5	32.8	0	0	0	111.5	Y823 T859	Y823-P857 HydrophobicContact CD2-CG 4.39Å; Y823-P857 HydrophobicContact CE2-CG 4.42Å; P857-T859 PolarHBondContact O-N 2.93Å; P857-T859 PolarHBondContact O-OG1 3.14Å
858	A	92.4	Very high	94.6	Very high	5 Å²	5	35.4 Å²	35.4	4%	0.041	19%	0.186	C	C	.	.	S	Bend	trans	-54.1	105.4	-179.6	0	0	0	0	0	111.9	L864 F1206	A858-L864 HydrophobicContact CB-CD2 3.93Å; A858-L864 HydrophobicContact CB-CG 4.27Å; A858-F1206 HydrophobicContact CB-CD2 4.17Å; A858-F1206 HydrophobicContact CB-CE2 4.25Å
859	T	92.9	Very high	93.6	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	20%	0.195	C	C	.	.			trans	-118.1	-34	-173.7	-58.6	0	0	0	0	111	P522 L526 Y823 A825 P857 D863	P522-T859 WeakPolarHBondContact CA-O 3.36Å; P522-T859 HydrophobicContact CG-CG2 4.03Å; L526-T859 WeakPolarHBondContact CD1-O 3.48Å; Y823-T859 HydrophobicContact CD1-CG2 4.09Å; Y823-T859 WeakPolarHBondContact CD1-OG1 3.49Å; Y823-T859 HydrophobicContact CE1-CG2 4.36Å; Y823-T859 WeakPolarHBondContact CE1-OG1 3.48Å; A825-T859 HydrophobicContact CB-CG2 4.39Å; P857-T859 PolarHBondContact O-N 2.93Å; P857-T859 PolarHBondContact O-OG1 3.14Å; T859-D863 WeakPolarHBondContact CA-OD2 3.28Å; T859-D863 PolarHBondContact N-OD2 2.94Å
860	T	93.7	Very high	92.5	Very high	7 Å²	7	36.4 Å²	36.4	4%	0.043	21%	0.206	C	C	.	.	S	Bend	trans	-128.1	158.4	-179.4	53.6	0	0	0	0	109.7	R856 R862 D863	R856-T860 PolarHBondContact NH2-OG1 2.93Å; T860-R862 VanDerWaalsContact C-N 3.25Å; T860-R862 PolarHBondContact O-N 3.03Å; T860-R862 WeakPolarHBondContact OG1-CG 3.47Å; T860-D863 PolarHBondContact N-OD2 3.48Å; T860-D863 VanDerWaalsContact O-CB 3.29Å; T860-D863 WeakPolarHBondContact O-CB 3.25Å; T860-D863 PolarHBondContact O-N 3.05Å; T860-D863 PolarHBondContact OG1-OD1 2.95Å; T860-D863 VanDerWaalsContact OG1-OD1 3.13Å; T860-D863 PolarHBondContact OG1-OD2 3.37Å
861	L	93.9	Very high	91.5	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.016	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-59.8	-38.2	-176.3	-64.7	178.8	0	0	0	111.7	L526 I783 D863 L864 P1075 E1077 L1078 L1215	L526-L861 HydrophobicContact CD1-CD2 4.37Å; I783-L861 HydrophobicContact CD1-CD2 4.01Å; L861-D863 PolarHBondContact O-N 3.45Å; L861-D863 VanDerWaalsContact O-N 3.11Å; L861-L864 PolarHBondContact O-N 3.33Å; L861-L864 VanDerWaalsContact O-N 3.07Å; L861-P1075 HydrophobicContact CD1-CB 3.81Å; L861-P1075 HydrophobicContact CD1-CG 3.9Å; L861-P1075 HydrophobicContact CG-CB 4.33Å; L861-P1075 HydrophobicContact CG-CG 4.34Å; L861-E1077 HydrophobicContact CB-CB 4.36Å; L861-E1077 HydrophobicContact CB-CG 4.25Å; L861-E1077 HydrophobicContact CD1-CB 4.48Å; L861-L1078 HydrophobicContact CD1-CD1 4.07Å; L861-L1078 HydrophobicContact CD1-CD2 4.37Å; L861-L1078 HydrophobicContact CD1-CG 3.89Å; L861-L1215 HydrophobicContact CD2-CD2 4.11Å
862	R	94.1	Very high	90.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-61.6	-13.6	174.5	66.9	-168.3	174.7	-88.7	11.1	115.3	T860 L864 L865 D1058 E1077 G1103 D1109 K1112	T860-R862 VanDerWaalsContact C-N 3.25Å; T860-R862 PolarHBondContact O-N 3.03Å; T860-R862 WeakPolarHBondContact OG1-CG 3.47Å; R862-L864 VanDerWaalsContact C-N 3.3Å; R862-L865 PolarHBondContact O-N 3.23Å; R862-D1058 IonicContact NH2-OD2 3.18Å; R862-E1077 HydrophobicContact CB-CG 4.09Å; R862-E1077 WeakPolarHBondContact CB-OE1 2.96Å; R862-E1077 WeakPolarHBondContact CD-OE1 3.44Å; R862-E1077 WeakPolarHBondContact CG-OE1 3.3Å; R862-E1077 IonicContact CZ-OE1 3.02Å; R862-E1077 PolarHBondContact N-OE1 2.81Å; R862-E1077 IonicContact NE-OE1 2.63Å; R862-E1077 IonicContact NH1-OE1 3.82Å; R862-E1077 PolarHBondContact NH1-OE1 2.84Å; R862-E1077 IonicContact NH1-OE2 2.68Å; R862-G1103 PolarHBondContact NH2-O 3.36Å; R862-D1109 WeakPolarHBondContact CD-OD1 3.35Å; R862-D1109 IonicContact CZ-OD1 2.71Å; R862-D1109 IonicContact NE-OD1 3.82Å; R862-D1109 PolarHBondContact NE-OD1 2.62Å; R862-D1109 IonicContact NH2-OD1 2.79Å; R862-K1112 HydrophobicContact CB-CD 4.13Å; R862-K1112 PolarHBondContact O-NZ 2.77Å
863	D	94.4	Very high	90.6	Very high	26 Å²	26	47.2 Å²	47.2	14%	0.139	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-75.3	-23.8	174.9	-58.7	-27.6	0	0	0	112	R856 T859 T860 L861 L865	R856-D863 IonicContact CZ-OD1 2.66Å; R856-D863 IonicContact CZ-OD2 3.95Å; R856-D863 VanDerWaalsContact NE-CG 3.27Å; R856-D863 IonicContact NE-OD1 3.72Å; R856-D863 PolarHBondContact NE-OD1 3.42Å; R856-D863 IonicContact NE-OD2 3.48Å; R856-D863 PolarHBondContact NE-OD2 2.97Å; R856-D863 IonicContact NH2-OD1 2.69Å; R856-D863 PolarHBondContact NH2-OD1 3.47Å; R856-D863 IonicContact NH2-OD2 3.39Å; T859-D863 WeakPolarHBondContact CA-OD2 3.28Å; T859-D863 PolarHBondContact N-OD2 2.94Å; T860-D863 PolarHBondContact N-OD2 3.48Å; T860-D863 VanDerWaalsContact O-CB 3.29Å; T860-D863 WeakPolarHBondContact O-CB 3.25Å; T860-D863 PolarHBondContact O-N 3.05Å; T860-D863 PolarHBondContact OG1-OD1 2.95Å; T860-D863 VanDerWaalsContact OG1-OD1 3.13Å; T860-D863 PolarHBondContact OG1-OD2 3.37Å; L861-D863 PolarHBondContact O-N 3.45Å; L861-D863 VanDerWaalsContact O-N 3.11Å; D863-L865 VanDerWaalsContact C-N 3.27Å
864	L	94.9	Very high	90.5	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.016	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-88.8	10.1	173.2	-63	175.3	0	0	0	112.7	L526 A858 L861 R862 L1203 L1213 L1215	L526-L864 HydrophobicContact CD2-CD1 3.88Å; A858-L864 HydrophobicContact CB-CD2 3.93Å; A858-L864 HydrophobicContact CB-CG 4.27Å; L861-L864 PolarHBondContact O-N 3.33Å; L861-L864 VanDerWaalsContact O-N 3.07Å; R862-L864 VanDerWaalsContact C-N 3.3Å; L864-L1203 PolarHBondContact O-N 3.04Å; L864-L1213 HydrophobicContact CD1-CD1 3.68Å; L864-L1215 HydrophobicContact CB-CD1 3.61Å; L864-L1215 HydrophobicContact CD1-CD1 3.95Å; L864-L1215 HydrophobicContact CG-CD1 4.43Å
865	L	94.6	Very high	90.4	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	118.1	174.7	-58.2	179.8	0	0	0	110	R862 D863 K1112 L1200 K1201 L1219	R862-L865 PolarHBondContact O-N 3.23Å; D863-L865 VanDerWaalsContact C-N 3.27Å; L865-K1112 WeakPolarHBondContact O-CE 3.37Å; L865-K1112 PolarHBondContact O-NZ 2.82Å; L865-L1200 HydrophobicContact CD1-CD1 4.41Å; L865-K1201 CarbonylContact C-O 3.43Å; L865-K1201 WeakPolarHBondContact CA-O 3.23Å; L865-L1219 HydrophobicContact CD2-CD2 4.27Å
866	A	93.9	Very high	90.5	Very high	28 Å²	28	47.4 Å²	47.4	23%	0.231	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	148	171.4	0	0	0	0	0	111.2	L1200 K1201 L1203	A866-L1200 CarbonylContact O-C 3.34Å; A866-L1200 WeakPolarHBondContact O-CA 3.26Å; A866-K1201 HydrophobicContact CB-CB 4.5Å; A866-K1201 PolarHBondContact N-O 3.02Å; A866-K1201 PolarHBondContact O-N 3.05Å; A866-L1203 HydrophobicContact CB-CD1 4.07Å; A866-L1203 HydrophobicContact CB-CD2 3.86Å; A866-L1203 HydrophobicContact CB-CG 3.92Å
867	I	94.2	Very high	90.5	Very high	44 Å²	44	50 Å²	50	23%	0.226	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	126.3	167.8	-63.3	169.9	0	0	0	107.8	V1108 I1111 K1112 L1185 L1200	I867-V1108 HydrophobicContact CD1-CG1 4.16Å; I867-I1111 HydrophobicContact CD1-CB 4.15Å; I867-I1111 HydrophobicContact CD1-CG2 3.76Å; I867-I1111 HydrophobicContact CG1-CG2 4.38Å; I867-K1112 HydrophobicContact CD1-CG 4.47Å; I867-K1112 HydrophobicContact CG1-CG 4.33Å; I867-L1185 HydrophobicContact CG2-CD1 4.11Å; I867-L1185 HydrophobicContact CG2-CD2 3.71Å; I867-L1185 HydrophobicContact CG2-CG 4.19Å; I867-L1200 HydrophobicContact CG1-CD2 4.1Å
868	T	88.8	Confident	90.7	Very high	55 Å²	55	51.5 Å²	51.5	34%	0.337	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-86.3	121.7	175.1	-55.7	0	0	0	0	109.1	L1185 L1199	T868-L1185 WeakPolarHBondContact O-CD2 3.34Å; T868-L1199 PolarHBondContact N-O 3.34Å
869	P	77.3	Confident	90.9	Very high	106 Å²	106	51.5 Å²	51.5	69%	0.688	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-59.6	141	178.8	-24	34.1	0	0	0	112.4
870	G	74.4	Confident	91.1	Very high	22 Å²	22	53 Å²	53	23%	0.227	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-73.8	146.6	176.4	0	0	0	0	0	111.9	N872 Q1184	G870-N872 PolarHBondContact O-N 3.37Å; G870-Q1184 PolarHBondContact N-O 2.97Å
871	E	78	Confident	91.2	Very high	194 Å²	194	56 Å²	56	91%	0.907	33%	0.334	S	S	*	.	S	Bend	trans	-64	-24.1	178.8	-64.4	-169.5	154.3	0	0	113.3
872	N	84.8	Confident	91.3	Very high	127 Å²	127	57.2 Å²	57.2	68%	0.679	34%	0.344	S	S	*	.	S	Bend	trans	-131.9	77.9	-174.5	-62.4	-72.8	0	0	0	111.1	G870 G1186	G870-N872 PolarHBondContact O-N 3.37Å; N872-G1186 WeakPolarHBondContact O-CA 3.4Å
873	A	89.8	Confident	91.3	Very high	72 Å²	72	59.9 Å²	59.9	60%	0.595	36%	0.363	S	S	*	.			trans	-59.4	140.6	173.3	0	0	0	0	0	111.8	A1183	A873-A1183 CarbonylContact C-O 3.5Å; A873-A1183 VanDerWaalsContact CA-O 3.26Å; A873-A1183 WeakPolarHBondContact CA-O 3.43Å; A873-A1183 WeakPolarHBondContact CB-O 3.05Å
874	V	93.9	Very high	91.4	Very high	49 Å²	49	62 Å²	62	30%	0.297	37%	0.372	S	S	.	.			trans	-104.1	168.5	179.6	-64.7	0	0	0	0	111.3	V879 A1183 T1188	V874-V879 HydrophobicContact CG2-CG2 4.09Å; V874-A1183 HydrophobicContact CG2-CB 4.45Å; V874-A1183 PolarHBondContact N-O 3.47Å; V874-T1188 HydrophobicContact CG2-CG2 4.2Å
875	N	94.4	Very high	91.4	Very high	100 Å²	100	61.8 Å²	61.8	54%	0.535	37%	0.371	S	S	.	.			trans	-73	140.3	172.8	-165.8	-37.4	0	0	0	109.4	A877 D878	N875-A877 PolarHBondContact O-N 3.1Å; N875-A877 VanDerWaalsContact O-N 3.09Å; N875-A877 PolarHBondContact OD1-N 3.13Å; N875-D878 VanDerWaalsContact CB-OD2 3.3Å; N875-D878 WeakPolarHBondContact CB-OD2 3.4Å; N875-D878 PolarHBondContact N-OD2 2.85Å; N875-D878 WeakPolarHBondContact O-CB 3.41Å; N875-D878 PolarHBondContact O-N 3.11Å
876	I	94.7	Very high	91.5	Very high	57 Å²	57	62.6 Å²	62.6	29%	0.292	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-19.6	173.3	-161.8	-179.3	0	0	0	112.8	D878 R1179 E1180 A1183	I876-D878 VanDerWaalsContact C-N 3.3Å; I876-R1179 HydrophobicContact CD1-CB 4.2Å; I876-R1179 HydrophobicContact CG1-CB 4.1Å; I876-R1179 PolarHBondContact O-NH2 3.38Å; I876-E1180 HydrophobicContact CD1-CB 4.47Å; I876-E1180 HydrophobicContact CD1-CG 3.52Å; I876-A1183 HydrophobicContact CB-CB 4.28Å
877	A	94.6	Very high	91.5	Very high	76 Å²	76	66.1 Å²	66.1	63%	0.628	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-26.5	171.1	0	0	0	0	0	113.6	N875	N875-A877 PolarHBondContact O-N 3.1Å; N875-A877 VanDerWaalsContact O-N 3.09Å; N875-A877 PolarHBondContact OD1-N 3.13Å
878	D	95.3	Very high	91.5	Very high	106 Å²	106	66.1 Å²	66.1	57%	0.567	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-15.5	179.4	-53.7	-44.3	0	0	0	112.3	N875 I876 T1188	N875-D878 VanDerWaalsContact CB-OD2 3.3Å; N875-D878 WeakPolarHBondContact CB-OD2 3.4Å; N875-D878 PolarHBondContact N-OD2 2.85Å; N875-D878 WeakPolarHBondContact O-CB 3.41Å; N875-D878 PolarHBondContact O-N 3.11Å; I876-D878 VanDerWaalsContact C-N 3.3Å; D878-T1188 HydrophobicContact CB-CG2 4.13Å; D878-T1188 WeakPolarHBondContact O-CB 3.05Å; D878-T1188 WeakPolarHBondContact O-CG2 3.48Å
879	V	96.8	Very high	91.9	Very high	4 Å²	4	63.5 Å²	63.5	2%	0.024	37%	0.366	C	S	.	.	S	Bend	trans	-75.9	138	174.7	-179	0	0	0	0	110.2	V874 R1179 M1182 A1183	V874-V879 HydrophobicContact CG2-CG2 4.09Å; V879-R1179 HydrophobicContact CG1-CB 4.07Å; V879-R1179 HydrophobicContact CG1-CG 3.97Å; V879-R1179 PolarHBondContact O-NH2 2.92Å; V879-M1182 HydrophobicContact CG1-CB 3.95Å; V879-M1182 HydrophobicContact CG1-CE 3.73Å; V879-M1182 HydrophobicContact CG1-SD 3.95Å; V879-M1182 HydrophobicContact CG2-CB 4.37Å; V879-A1183 HydrophobicContact CG2-CB 3.93Å
880	E	96	Very high	92.8	Very high	33 Å²	33	58.9 Å²	58.9	15%	0.154	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-48	141	-179.6	72.5	-174.5	151.2	0	0	112.5	E884 R1179 M1182 T1188 L1190	E880-E884 HydrophobicContact CB-CB 4.48Å; E880-E884 HydrophobicContact CG-CB 4.28Å; E880-R1179 WeakPolarHBondContact O-CD 3.38Å; E880-R1179 PolarHBondContact O-NE 3.21Å; E880-M1182 HydrophobicContact CG-CE 4.44Å; E880-T1188 PolarHBondContact N-O 2.77Å; E880-L1190 VanDerWaalsContact OE1-CB 3.28Å; E880-L1190 WeakPolarHBondContact OE1-CB 3.4Å; E880-L1190 PolarHBondContact OE1-N 3.34Å
881	P	96.4	Very high	93.8	Very high	70 Å²	70	58 Å²	58	46%	0.455	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-66.5	155.7	-173.4	27.5	-34.2	0	0	0	111.5	S883 E884	P881-S883 PolarHBondContact O-N 2.79Å; P881-E884 HydrophobicContact CG-CG 4.16Å; P881-E884 PolarHBondContact O-N 3.38Å
882	A	95.2	Very high	94.5	Very high	28 Å²	28	49.4 Å²	49.4	23%	0.231	29%	0.288	C	S	.	.	H	α-helix	trans	-54.6	-27.7	-179.5	0	0	0	0	0	113.4	E884 L885 F886 A1175	A882-E884 PolarHBondContact O-N 2.97Å; A882-L885 WeakPolarHBondContact O-CB 3.49Å; A882-L885 PolarHBondContact O-N 3.02Å; A882-F886 HydrophobicContact CB-CE1 4.3Å; A882-F886 HydrophobicContact CB-CE2 3.89Å; A882-F886 HydrophobicContact CB-CZ 3.67Å; A882-F886 VanDerWaalsContact O-CD2 3.28Å; A882-F886 WeakPolarHBondContact O-CD2 3.2Å; A882-F886 VanDerWaalsContact O-CG 3.24Å; A882-F886 WeakPolarHBondContact O-CG 3.39Å; A882-F886 PolarHBondContact O-N 3.25Å; A882-A1175 HydrophobicContact CB-CB 3.89Å
883	S	95.4	Very high	94.8	Very high	57 Å²	57	44.7 Å²	44.7	40%	0.399	27%	0.266	S	S	.	.	H	α-helix	trans	-59.5	-25.2	173.4	56.8	0	0	0	0	114.8	P881 K887	P881-S883 PolarHBondContact O-N 2.79Å; S883-K887 WeakPolarHBondContact O-CE 3.38Å; S883-K887 WeakPolarHBondContact O-CG 3.35Å
884	E	95.4	Very high	95.1	Very high	69 Å²	69	42.6 Å²	42.6	32%	0.322	25%	0.245	S	C	.	.	H	α-helix	trans	-83.4	-28	173.1	-60.4	-48.9	122.7	0	0	112.3	E880 P881 A882 K887	E880-E884 HydrophobicContact CB-CB 4.48Å; E880-E884 HydrophobicContact CG-CB 4.28Å; P881-E884 HydrophobicContact CG-CG 4.16Å; P881-E884 PolarHBondContact O-N 3.38Å; A882-E884 PolarHBondContact O-N 2.97Å; E884-K887 IonicContact OE1-NZ 2.67Å; E884-K887 PolarHBondContact OE1-NZ 3.47Å; E884-K887 IonicContact OE2-NZ 2.85Å; E884-K887 PolarHBondContact OE2-NZ 2.62Å
885	L	96	Very high	95.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-73.9	-39.3	173.2	-60.8	-177.7	0	0	0	111.8	A882 K887 R888 F889 A1175 T1178 R1179 L1190	A882-L885 WeakPolarHBondContact O-CB 3.49Å; A882-L885 PolarHBondContact O-N 3.02Å; L885-K887 VanDerWaalsContact C-N 3.26Å; L885-K887 PolarHBondContact O-N 3.22Å; L885-R888 WeakPolarHBondContact O-CA 3.22Å; L885-R888 VanDerWaalsContact O-CB 3.31Å; L885-R888 WeakPolarHBondContact O-CB 3.47Å; L885-R888 PolarHBondContact O-N 2.96Å; L885-F889 HydrophobicContact CB-CE2 4.23Å; L885-F889 HydrophobicContact CB-CZ 4.09Å; L885-F889 PolarHBondContact O-N 3.42Å; L885-A1175 HydrophobicContact CB-CB 4.42Å; L885-A1175 HydrophobicContact CD1-CB 4.16Å; L885-T1178 HydrophobicContact CD1-CG2 4.04Å; L885-R1179 HydrophobicContact CD1-CG 3.67Å; L885-L1190 HydrophobicContact CD2-CB 4.17Å; L885-L1190 HydrophobicContact CD2-CD1 4.29Å; L885-L1190 HydrophobicContact CD2-CD2 4.12Å; L885-L1190 HydrophobicContact CD2-CG 4.44Å
886	F	96.5	Very high	94.9	Very high	17 Å²	17	36 Å²	36	8%	0.075	21%	0.208	C	C	.	.	H	α-helix	trans	-58.6	-36.1	179	-58.9	-36.3	0	0	0	112.8	A882 R888 F889 I914 G916 F1171 E1172 A1175	A882-F886 HydrophobicContact CB-CE1 4.3Å; A882-F886 HydrophobicContact CB-CE2 3.89Å; A882-F886 HydrophobicContact CB-CZ 3.67Å; A882-F886 VanDerWaalsContact O-CD2 3.28Å; A882-F886 WeakPolarHBondContact O-CD2 3.2Å; A882-F886 VanDerWaalsContact O-CG 3.24Å; A882-F886 WeakPolarHBondContact O-CG 3.39Å; A882-F886 PolarHBondContact O-N 3.25Å; F886-R888 PolarHBondContact O-N 2.82Å; F886-R888 VanDerWaalsContact O-N 3.07Å; F886-F889 HydrophobicContact CD1-CD2 4.11Å; F886-F889 HydrophobicContact CD1-CE2 4.46Å; F886-F889 PolarHBondContact O-N 2.92Å; F886-I914 HydrophobicContact CB-CD1 4.44Å; F886-I914 HydrophobicContact CB-CG1 4.3Å; F886-I914 WeakPolarHBondContact CB-O 3.31Å; F886-I914 HydrophobicContact CD1-CD1 3.92Å; F886-I914 HydrophobicContact CD2-CB 3.84Å; F886-I914 HydrophobicContact CD2-CG1 4.4Å; F886-I914 VanDerWaalsContact CD2-O 3.26Å; F886-I914 WeakPolarHBondContact CD2-O 3.34Å; F886-I914 HydrophobicContact CE1-CD1 4.3Å; F886-I914 HydrophobicContact CE2-CB 4.17Å; F886-I914 HydrophobicContact CG-CB 4.13Å; F886-I914 HydrophobicContact CG-CD1 4.07Å; F886-I914 HydrophobicContact CG-CG1 4.19Å; F886-G916 WeakPolarHBondContact O-CA 3.07Å; F886-F1171 HydrophobicContact CE1-CB 4.44Å; F886-E1172 HydrophobicContact CE1-CG 4.48Å; F886-E1172 HydrophobicContact CZ-CG 3.89Å; F886-A1175 HydrophobicContact CD1-CB 4.23Å; F886-A1175 HydrophobicContact CE1-CB 3.52Å; F886-A1175 HydrophobicContact CZ-CB 4.13Å
887	K	94.2	Very high	94.7	Very high	103 Å²	103	33.2 Å²	33.2	45%	0.448	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-14.9	174.2	-62.3	172.6	-163.1	171.4	0	114.1	S883 E884 L885	S883-K887 WeakPolarHBondContact O-CE 3.38Å; S883-K887 WeakPolarHBondContact O-CG 3.35Å; E884-K887 IonicContact OE1-NZ 2.67Å; E884-K887 PolarHBondContact OE1-NZ 3.47Å; E884-K887 IonicContact OE2-NZ 2.85Å; E884-K887 PolarHBondContact OE2-NZ 2.62Å; L885-K887 VanDerWaalsContact C-N 3.26Å; L885-K887 PolarHBondContact O-N 3.22Å
888	R	94.9	Very high	94.6	Very high	44 Å²	44	30.4 Å²	30.4	17%	0.166	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-12	178.5	-58.6	176.3	176.7	-80.3	-2.8	112.2	L885 F886 E1119 S1120 F1121 V1191	L885-R888 WeakPolarHBondContact O-CA 3.22Å; L885-R888 VanDerWaalsContact O-CB 3.31Å; L885-R888 WeakPolarHBondContact O-CB 3.47Å; L885-R888 PolarHBondContact O-N 2.96Å; F886-R888 PolarHBondContact O-N 2.82Å; F886-R888 VanDerWaalsContact O-N 3.07Å; R888-E1119 WeakPolarHBondContact CB-O 3.49Å; R888-E1119 VanDerWaalsContact CD-O 3.32Å; R888-E1119 WeakPolarHBondContact CD-O 3.31Å; R888-E1119 WeakPolarHBondContact CG-O 3.42Å; R888-E1119 PolarHBondContact NH1-O 2.83Å; R888-S1120 CarbonylContact O-C 3.44Å; R888-S1120 VanDerWaalsContact O-CA 3.26Å; R888-S1120 WeakPolarHBondContact O-CA 3.35Å; R888-S1120 WeakPolarHBondContact O-CB 3.33Å; R888-S1120 PolarHBondContact O-OG 3Å; R888-F1121 HydrophobicContact CB-CD2 4.33Å; R888-F1121 HydrophobicContact CB-CE2 4.38Å; R888-F1121 PolarHBondContact O-N 2.88Å; R888-V1191 VanDerWaalsContact NH2-CG1 3.32Å
889	F	96.4	Very high	94.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	123	-179.3	-62.4	-16.4	0	0	0	110.6	L885 F886 M911 N917 I1110 F1121 F1123 F1171 I1174 A1175	L885-F889 HydrophobicContact CB-CE2 4.23Å; L885-F889 HydrophobicContact CB-CZ 4.09Å; L885-F889 PolarHBondContact O-N 3.42Å; F886-F889 HydrophobicContact CD1-CD2 4.11Å; F886-F889 HydrophobicContact CD1-CE2 4.46Å; F886-F889 PolarHBondContact O-N 2.92Å; F889-M911 HydrophobicContact CB-CE 4.24Å; F889-M911 WeakPolarHBondContact O-CE 3.38Å; F889-N917 PolarHBondContact O-N 3.03Å; F889-I1110 HydrophobicContact CE1-CD1 4.33Å; F889-I1110 HydrophobicContact CE1-CG1 4.42Å; F889-I1110 HydrophobicContact CE1-CG2 4.18Å; F889-F1121 HydrophobicContact CD1-CB 4.25Å; F889-F1121 AromaticContact CD1-CD2 3.89Å; F889-F1121 HydrophobicContact CD1-CD2 3.89Å; F889-F1121 HydrophobicContact CD1-CG 4.49Å; F889-F1121 AromaticContact CE1-CD2 3.83Å; F889-F1121 HydrophobicContact CE1-CD2 3.83Å; F889-F1121 HydrophobicContact CE1-CG 4.48Å; F889-F1123 HydrophobicContact CB-CE2 4.1Å; F889-F1123 AromaticContact CD1-CE2 3.83Å; F889-F1123 HydrophobicContact CD1-CE2 3.83Å; F889-F1123 HydrophobicContact CD1-CZ 4.23Å; F889-F1123 HydrophobicContact CE1-CE2 4.46Å; F889-F1123 HydrophobicContact CE1-CZ 4.42Å; F889-F1123 AromaticContact CG-CE2 3.99Å; F889-F1123 HydrophobicContact CG-CE2 3.99Å; F889-F1171 HydrophobicContact CB-CD1 3.99Å; F889-F1171 HydrophobicContact CB-CE1 3.99Å; F889-F1171 AromaticContact CD2-CD1 3.73Å; F889-F1171 HydrophobicContact CD2-CD1 3.73Å; F889-F1171 HydrophobicContact CD2-CE1 4.43Å; F889-F1171 HydrophobicContact CG-CD1 4.16Å; F889-F1171 HydrophobicContact CG-CE1 4.44Å; F889-I1174 HydrophobicContact CE2-CG2 3.94Å; F889-I1174 HydrophobicContact CZ-CG2 3.84Å; F889-A1175 HydrophobicContact CE2-CB 4.05Å
890	D	95.8	Very high	94.6	Very high	9 Å²	9	25.4 Å²	25.4	5%	0.048	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	140.5	178.6	-65	-11.5	0	0	0	110	N917 I938 Q1099 F1121 G1122 F1123	D890-N917 WeakPolarHBondContact CA-O 3.5Å; D890-N917 WeakPolarHBondContact OD1-CB 3.38Å; D890-N917 PolarHBondContact OD1-ND2 3.16Å; D890-I938 HydrophobicContact CB-CD1 4.16Å; D890-I938 WeakPolarHBondContact OD2-CD1 3.33Å; D890-Q1099 PolarHBondContact OD2-NE2 3.04Å; D890-F1121 PolarHBondContact N-O 3.37Å; D890-G1122 WeakPolarHBondContact O-CA 3.32Å; D890-F1123 PolarHBondContact O-N 3.38Å
891	T	96.1	Very high	94.6	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.012	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	129.9	160.6	58	0	0	0	0	109.3	L907 M911 N917 S918 N919 F1123 P1127 F1171	T891-L907 HydrophobicContact CG2-CB 4.49Å; T891-L907 HydrophobicContact CG2-CD2 4.02Å; T891-M911 HydrophobicContact CG2-CG 3.6Å; T891-M911 HydrophobicContact CG2-SD 3.85Å; T891-N917 PolarHBondContact N-O 3.49Å; T891-S918 VanDerWaalsContact OG1-CA 3.22Å; T891-S918 WeakPolarHBondContact OG1-CA 3.44Å; T891-S918 WeakPolarHBondContact OG1-CB 3.42Å; T891-N919 VanDerWaalsContact O-CB 3.3Å; T891-N919 WeakPolarHBondContact O-CB 3.12Å; T891-N919 PolarHBondContact O-N 3.15Å; T891-F1123 WeakPolarHBondContact CA-O 3.37Å; T891-P1127 HydrophobicContact CG2-CB 4.28Å; T891-P1127 HydrophobicContact CG2-CG 4.19Å; T891-F1171 HydrophobicContact CG2-CE2 3.95Å; T891-F1171 HydrophobicContact CG2-CZ 4.02Å
892	A	92.3	Very high	94.6	Very high	15 Å²	15	24.3 Å²	24.3	12%	0.124	13%	0.134	C	C	.	.			trans	-65	155.2	-174.2	0	0	0	0	0	111.8	M894 F1123	A892-M894 WeakPolarHBondContact O-CE 3.2Å; A892-M894 WeakPolarHBondContact O-CG 3.39Å; A892-M894 PolarHBondContact O-N 2.89Å; A892-F1123 PolarHBondContact N-O 3.34Å
893	A	91.9	Very high	94.6	Very high	27 Å²	27	23 Å²	23	22%	0.223	12%	0.123	C	C	.	.			trans	-56.2	108.1	-179.6	0	0	0	0	0	113.2	N919	A893-N919 HydrophobicContact CB-CB 4.4Å; A893-N919 WeakPolarHBondContact CB-OD1 3.05Å
894	M	94.7	Very high	94.7	Very high	28 Å²	28	20.5 Å²	20.5	14%	0.138	11%	0.105	C	C	.	.			trans	-135.7	106.5	-179.5	-67.8	177.4	-73.2	0	0	109.3	A892 L899 H904 L907 M1128	A892-M894 WeakPolarHBondContact O-CE 3.2Å; A892-M894 WeakPolarHBondContact O-CG 3.39Å; A892-M894 PolarHBondContact O-N 2.89Å; M894-L899 HydrophobicContact CB-CD1 3.63Å; M894-L899 HydrophobicContact CB-CG 4.15Å; M894-L899 HydrophobicContact CE-CD1 4.44Å; M894-L899 HydrophobicContact CG-CD1 4.48Å; M894-L899 HydrophobicContact SD-CD1 4.16Å; M894-H904 PolarHBondContact O-CD2 3.45Å; M894-H904 PolarHBondContact O-NE2 3.17Å; M894-L907 HydrophobicContact CE-CD1 3.58Å; M894-M1128 HydrophobicContact CE-CG 4.43Å; M894-M1128 HydrophobicContact SD-CG 3.74Å; M894-M1128 HydrophobicContact SD-SD 3.58Å
895	S	94.1	Very high	94.8	Very high	10 Å²	10	19.2 Å²	19.2	7%	0.07	10%	0.099	C	C	.	.			trans	-64.8	139.6	-169.3	67.3	0	0	0	0	113.7	G897 A898 L899 S920 R988	S895-G897 PolarHBondContact O-N 2.93Å; S895-A898 WeakPolarHBondContact O-CB 3.39Å; S895-A898 PolarHBondContact O-N 3.42Å; S895-A898 WeakPolarHBondContact OG-CB 3.35Å; S895-L899 PolarHBondContact O-N 3.24Å; S895-L899 VanDerWaalsContact O-N 3.12Å; S895-S920 WeakPolarHBondContact CA-O 3.49Å; S895-R988 PolarHBondContact OG-NH2 3.29Å
896	I	91	Very high	94.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-55.3	130.6	157.6	-162.5	164.4	0	0	0	109.1	P901 H904 G924 Y983 I984 L987 R988	I896-P901 HydrophobicContact CD1-CB 4.5Å; I896-H904 PolarHBondContact N-CD2 3.39Å; I896-G924 WeakPolarHBondContact CG2-O 3.34Å; I896-Y983 HydrophobicContact CD1-CE1 4.13Å; I896-I984 HydrophobicContact CG1-CD1 4.16Å; I896-L987 HydrophobicContact CD1-CD1 3.92Å; I896-L987 HydrophobicContact CG1-CD1 4.38Å; I896-L987 HydrophobicContact CG2-CD1 3.98Å; I896-R988 PolarHBondContact O-NH2 3.25Å
897	G	90.7	Very high	94.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.7	-48.6	-165.7	0	0	0	0	0	112.4	S895 L899 K979 Q1151	S895-G897 PolarHBondContact O-N 2.93Å; G897-L899 PolarHBondContact N-O 2.8Å; G897-L899 VanDerWaalsContact N-O 3.11Å; G897-K979 WeakPolarHBondContact O-CE 3.42Å; G897-Q1151 VanDerWaalsContact C-NE2 3.3Å; G897-Q1151 VanDerWaalsContact CA-NE2 3.26Å; G897-Q1151 PolarHBondContact O-NE2 3.02Å
898	A	92.9	Very high	95	Very high	17 Å²	17	14 Å²	14	14%	0.14	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-48.7	169	0	0	0	0	0	110.4	S895 K979 A1149	S895-A898 WeakPolarHBondContact O-CB 3.39Å; S895-A898 PolarHBondContact O-N 3.42Å; S895-A898 WeakPolarHBondContact OG-CB 3.35Å; A898-K979 PolarHBondContact O-NZ 3.49Å; A898-A1149 CarbonylContact O-C 3.5Å; A898-A1149 WeakPolarHBondContact O-CA 3.37Å
899	L	95.5	Very high	95.2	Very high	5 Å²	5	15 Å²	15	3%	0.026	9%	0.085	C	C	.	.	B	Isolated β-bridge	trans	-90.9	152.3	166.9	-61.3	-175.8	0	0	0	111.3	M894 S895 G897 A903 L907 M1128 V1148 Q1151	M894-L899 HydrophobicContact CB-CD1 3.63Å; M894-L899 HydrophobicContact CB-CG 4.15Å; M894-L899 HydrophobicContact CE-CD1 4.44Å; M894-L899 HydrophobicContact CG-CD1 4.48Å; M894-L899 HydrophobicContact SD-CD1 4.16Å; S895-L899 PolarHBondContact O-N 3.24Å; S895-L899 VanDerWaalsContact O-N 3.12Å; G897-L899 PolarHBondContact N-O 2.8Å; G897-L899 VanDerWaalsContact N-O 3.11Å; L899-A903 HydrophobicContact CB-CB 4.44Å; L899-L907 HydrophobicContact CD1-CD1 3.91Å; L899-M1128 HydrophobicContact CD2-CE 3.69Å; L899-M1128 HydrophobicContact CD2-CG 4.47Å; L899-M1128 HydrophobicContact CD2-SD 4.11Å; L899-V1148 WeakPolarHBondContact CA-O 3.26Å; L899-V1148 HydrophobicContact CD2-CG1 4.2Å; L899-Q1151 PolarHBondContact O-NE2 3.41Å
900	S	96.1	Very high	95.2	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.085	C	C	.	.			trans	-62.8	152	167.4	56.2	0	0	0	0	111.2	E902 A903 H904 G1147 V1148 T1150	S900-E902 WeakPolarHBondContact CB-OE2 3.24Å; S900-E902 PolarHBondContact O-N 3.27Å; S900-A903 PolarHBondContact O-N 3.31Å; S900-A903 VanDerWaalsContact OG-CB 3.27Å; S900-A903 WeakPolarHBondContact OG-CB 3.13Å; S900-A903 PolarHBondContact OG-N 3.04Å; S900-H904 WeakPolarHBondContact O-CB 3.29Å; S900-H904 PolarHBondContact O-N 3.28Å; S900-G1147 VanDerWaalsContact CB-O 3.22Å; S900-G1147 WeakPolarHBondContact CB-O 3.49Å; S900-G1147 PolarHBondContact OG-O 3.02Å; S900-V1148 PolarHBondContact N-O 3.39Å; S900-V1148 PolarHBondContact OG-O 3.27Å; S900-T1150 WeakPolarHBondContact CB-O 3.23Å
901	P	95.5	Very high	95.3	Very high	14 Å²	14	14.6 Å²	14.6	9%	0.091	8%	0.082	C	C	.	.	H	α-helix	trans	-54.4	-41.3	175.5	-26	35.4	0	0	0	112.2	I896 A903 H904 E905 Y983 R1156	I896-P901 HydrophobicContact CD1-CB 4.5Å; P901-A903 PolarHBondContact O-N 2.98Å; P901-H904 PolarHBondContact O-N 3.31Å; P901-E905 WeakPolarHBondContact O-CB 3.08Å; P901-E905 WeakPolarHBondContact O-CG 3.43Å; P901-E905 PolarHBondContact O-N 3.41Å; P901-Y983 HydrophobicContact CG-CD1 4.41Å; P901-Y983 HydrophobicContact CG-CE1 3.9Å; P901-R1156 VanDerWaalsContact CD-NH1 3.26Å
902	E	95.8	Very high	95.3	Very high	66 Å²	66	15.6 Å²	15.6	31%	0.308	9%	0.088	S	C	.	.	H	α-helix	trans	-65.5	-38.8	-178.6	-55.6	84.7	168	0	0	112.1	S900 A906 R1156 Y1160	S900-E902 WeakPolarHBondContact CB-OE2 3.24Å; S900-E902 PolarHBondContact O-N 3.27Å; E902-A906 WeakPolarHBondContact O-CB 3.25Å; E902-A906 PolarHBondContact O-N 3.39Å; E902-A906 VanDerWaalsContact O-N 3.09Å; E902-R1156 IonicContact OE1-NE 3.59Å; E902-R1156 WeakPolarHBondContact OE2-CD 3.34Å; E902-Y1160 HydrophobicContact CB-CD1 3.63Å; E902-Y1160 HydrophobicContact CB-CE1 3.49Å; E902-Y1160 VanDerWaalsContact CB-CE1 3.49Å; E902-Y1160 HydrophobicContact CB-CG 4.25Å; E902-Y1160 HydrophobicContact CG-CD1 4.36Å; E902-Y1160 PolarHBondContact O-OH 3.09Å
903	A	96.5	Very high	95.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-70.2	-39.9	173.8	0	0	0	0	0	112.1	L899 S900 P901 L907 L1131 V1148 Y1160	L899-A903 HydrophobicContact CB-CB 4.44Å; S900-A903 PolarHBondContact O-N 3.31Å; S900-A903 VanDerWaalsContact OG-CB 3.27Å; S900-A903 WeakPolarHBondContact OG-CB 3.13Å; S900-A903 PolarHBondContact OG-N 3.04Å; P901-A903 PolarHBondContact O-N 2.98Å; A903-L907 WeakPolarHBondContact O-CG 3.49Å; A903-L907 PolarHBondContact O-N 3.08Å; A903-L1131 HydrophobicContact CB-CD1 4.28Å; A903-V1148 HydrophobicContact CB-CG1 4.13Å; A903-Y1160 WeakPolarHBondContact CA-OH 3.17Å; A903-Y1160 HydrophobicContact CB-CE2 3.86Å
904	H	97	Very high	95.7	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.019	10%	0.102	C	C	.	.	H	α-helix	trans	-67.2	-45.6	-179.6	-163.7	-78.6	0	0	0	111.7	M894 I896 S900 P901 L907 A908 N919 S920 E925 R929 S936	M894-H904 PolarHBondContact O-CD2 3.45Å; M894-H904 PolarHBondContact O-NE2 3.17Å; I896-H904 PolarHBondContact N-CD2 3.39Å; S900-H904 WeakPolarHBondContact O-CB 3.29Å; S900-H904 PolarHBondContact O-N 3.28Å; P901-H904 PolarHBondContact O-N 3.31Å; H904-L907 PolarHBondContact O-N 2.92Å; H904-A908 PolarHBondContact O-N 2.72Å; H904-N919 PolarHBondContact NE2-O 2.89Å; H904-S920 WeakPolarHBondContact CE1-CA 3.44Å; H904-S920 WeakPolarHBondContact NE2-CA 3.49Å; H904-S920 PolarHBondContact NE2-O 2.98Å; H904-E925 IonicContact CE1-OE2 3.36Å; H904-E925 PolarHBondContact CE1-OE2 3.13Å; H904-R929 PolarHBondContact CE1-NH1 3.45Å; H904-R929 PolarHBondContact CE1-NH2 3.18Å; H904-R929 VanDerWaalsContact CE1-NH2 3.33Å; H904-R929 PolarHBondContact ND1-NH1 3.27Å; H904-S936 PolarHBondContact CE1-OG 2.79Å
905	E	96.7	Very high	95.7	Very high	43 Å²	43	18.4 Å²	18.4	20%	0.201	11%	0.11	C	C	.	.	H	α-helix	trans	-64.8	-41.2	174.9	-72.6	-178.5	-173.8	0	0	112.4	P901 L907 A908 E909 K934	P901-E905 WeakPolarHBondContact O-CB 3.08Å; P901-E905 WeakPolarHBondContact O-CG 3.43Å; P901-E905 PolarHBondContact O-N 3.41Å; E905-L907 VanDerWaalsContact C-N 3.3Å; E905-L907 PolarHBondContact O-N 3.02Å; E905-A908 PolarHBondContact O-N 3.17Å; E905-A908 VanDerWaalsContact O-N 3.07Å; E905-E909 WeakPolarHBondContact O-CB 2.86Å; E905-E909 PolarHBondContact O-N 3.49Å; E905-K934 HydrophobicContact CB-CD 4.3Å; E905-K934 HydrophobicContact CG-CD 4.22Å; E905-K934 WeakPolarHBondContact OE2-CD 3.32Å; E905-K934 WeakPolarHBondContact OE2-CE 3.25Å; E905-K934 IonicContact OE2-NZ 3.37Å; E905-K934 PolarHBondContact OE2-NZ 3.46Å
906	A	97.1	Very high	95.7	Very high	5 Å²	5	18 Å²	18	4%	0.041	11%	0.107	C	C	.	.	H	α-helix	trans	-64.2	-33.8	179.8	0	0	0	0	0	112.9	E902 A910 L1131 Y1160 P1164	E902-A906 WeakPolarHBondContact O-CB 3.25Å; E902-A906 PolarHBondContact O-N 3.39Å; E902-A906 VanDerWaalsContact O-N 3.09Å; A906-A910 VanDerWaalsContact O-CB 3.25Å; A906-A910 WeakPolarHBondContact O-CB 3.47Å; A906-A910 PolarHBondContact O-N 2.87Å; A906-A910 VanDerWaalsContact O-N 3.13Å; A906-L1131 HydrophobicContact CB-CD1 4.43Å; A906-L1131 HydrophobicContact CB-CD2 3.95Å; A906-Y1160 WeakPolarHBondContact CB-OH 3.44Å; A906-P1164 HydrophobicContact CB-CG 4.22Å
907	L	97.6	Very high	95.9	Very high	5 Å²	5	18.7 Å²	18.7	3%	0.026	11%	0.111	C	C	.	.	H	α-helix	trans	-64.8	-43.5	170.6	-68.6	171.5	0	0	0	111.3	T891 M894 L899 A903 H904 E905 M911 P1127 L1131 V1167	T891-L907 HydrophobicContact CG2-CB 4.49Å; T891-L907 HydrophobicContact CG2-CD2 4.02Å; M894-L907 HydrophobicContact CE-CD1 3.58Å; L899-L907 HydrophobicContact CD1-CD1 3.91Å; A903-L907 WeakPolarHBondContact O-CG 3.49Å; A903-L907 PolarHBondContact O-N 3.08Å; H904-L907 PolarHBondContact O-N 2.92Å; E905-L907 VanDerWaalsContact C-N 3.3Å; E905-L907 PolarHBondContact O-N 3.02Å; L907-M911 VanDerWaalsContact O-CG 3.26Å; L907-M911 WeakPolarHBondContact O-CG 3.43Å; L907-M911 PolarHBondContact O-N 3.41Å; L907-M911 VanDerWaalsContact O-N 3.16Å; L907-P1127 HydrophobicContact CD2-CB 3.57Å; L907-L1131 HydrophobicContact CD2-CD1 3.81Å; L907-L1131 HydrophobicContact CG-CD1 3.82Å; L907-V1167 HydrophobicContact CD2-CG1 4.24Å; L907-V1167 HydrophobicContact CD2-CG2 4.09Å
908	A	97.2	Very high	96.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-66.7	-48.4	-179.3	0	0	0	0	0	112.4	H904 E905 A910 M911 N912 S918 K934	H904-A908 PolarHBondContact O-N 2.72Å; E905-A908 PolarHBondContact O-N 3.17Å; E905-A908 VanDerWaalsContact O-N 3.07Å; A908-A910 VanDerWaalsContact C-N 3.34Å; A908-A910 PolarHBondContact O-N 3.1Å; A908-M911 PolarHBondContact O-N 2.92Å; A908-N912 WeakPolarHBondContact O-CB 3.19Å; A908-N912 PolarHBondContact O-N 3.5Å; A908-N912 PolarHBondContact O-ND2 2.94Å; A908-S918 VanDerWaalsContact CA-OG 3.27Å; A908-S918 WeakPolarHBondContact CA-OG 2.98Å; A908-S918 WeakPolarHBondContact CB-OG 3.28Å; A908-K934 VanDerWaalsContact CB-O 3.24Å; A908-K934 WeakPolarHBondContact CB-O 3.34Å
909	E	97.7	Very high	96.4	Very high	66 Å²	66	18.4 Å²	18.4	31%	0.308	11%	0.107	S	C	.	.	H	α-helix	trans	-60.1	-42.1	178.5	-170.2	175.2	162.4	0	0	112	E905 S913 N933 P1164	E905-E909 WeakPolarHBondContact O-CB 2.86Å; E905-E909 PolarHBondContact O-N 3.49Å; E909-S913 VanDerWaalsContact O-CB 3.3Å; E909-S913 WeakPolarHBondContact O-CB 3.27Å; E909-S913 PolarHBondContact O-N 3.04Å; E909-S913 VanDerWaalsContact O-N 3.15Å; E909-S913 PolarHBondContact O-OG 2.76Å; E909-N933 WeakPolarHBondContact CA-O 3.33Å; E909-P1164 HydrophobicContact CB-CB 4.34Å; E909-P1164 HydrophobicContact CB-CG 4.15Å; E909-P1164 HydrophobicContact CG-CB 4.34Å; E909-P1164 HydrophobicContact CG-CG 4.13Å
910	A	97.5	Very high	96.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.1	-49.2	177	0	0	0	0	0	112.6	A906 A908 S913 I914 P1164 V1167	A906-A910 VanDerWaalsContact O-CB 3.25Å; A906-A910 WeakPolarHBondContact O-CB 3.47Å; A906-A910 PolarHBondContact O-N 2.87Å; A906-A910 VanDerWaalsContact O-N 3.13Å; A908-A910 VanDerWaalsContact C-N 3.34Å; A908-A910 PolarHBondContact O-N 3.1Å; A910-S913 PolarHBondContact O-N 3.27Å; A910-I914 PolarHBondContact O-N 3.27Å; A910-P1164 HydrophobicContact CB-CB 4.1Å; A910-P1164 WeakPolarHBondContact CB-O 3.44Å; A910-V1167 HydrophobicContact CB-CB 3.63Å; A910-V1167 HydrophobicContact CB-CG1 3.76Å
911	M	97.7	Very high	96.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-68.2	-42	-176.6	-66.1	-52.3	-71.1	0	0	112.6	F889 T891 L907 A908 S913 I914 G915 G916 N917 F1171	F889-M911 HydrophobicContact CB-CE 4.24Å; F889-M911 WeakPolarHBondContact O-CE 3.38Å; T891-M911 HydrophobicContact CG2-CG 3.6Å; T891-M911 HydrophobicContact CG2-SD 3.85Å; L907-M911 VanDerWaalsContact O-CG 3.26Å; L907-M911 WeakPolarHBondContact O-CG 3.43Å; L907-M911 PolarHBondContact O-N 3.41Å; L907-M911 VanDerWaalsContact O-N 3.16Å; A908-M911 PolarHBondContact O-N 2.92Å; M911-S913 VanDerWaalsContact C-N 3.31Å; M911-S913 PolarHBondContact O-N 2.9Å; M911-I914 HydrophobicContact CE-CD1 4.49Å; M911-I914 VanDerWaalsContact O-CG1 3.32Å; M911-I914 WeakPolarHBondContact O-CG1 3.41Å; M911-I914 PolarHBondContact O-N 3.34Å; M911-I914 HydrophobicContact SD-CD1 4.21Å; M911-G915 PolarHBondContact O-N 2.99Å; M911-G915 VanDerWaalsContact O-N 3.15Å; M911-G916 CarbonylContact O-C 3.51Å; M911-G916 PolarHBondContact O-N 3.42Å; M911-N917 WeakPolarHBondContact CE-O 3.45Å; M911-N917 WeakPolarHBondContact CG-O 3.34Å; M911-F1171 HydrophobicContact CE-CD2 4.19Å; M911-F1171 HydrophobicContact CE-CE1 4.29Å; M911-F1171 HydrophobicContact CE-CE2 3.97Å; M911-F1171 HydrophobicContact CE-CG 4.48Å; M911-F1171 HydrophobicContact CE-CZ 4Å; M911-F1171 HydrophobicContact SD-CD2 3.37Å; M911-F1171 WeakPolarHBondContact SD-CD2 3.44Å; M911-F1171 HydrophobicContact SD-CE2 3.17Å; M911-F1171 WeakPolarHBondContact SD-CE2 3.19Å; M911-F1171 HydrophobicContact SD-CG 4.16Å; M911-F1171 HydrophobicContact SD-CZ 3.8Å
912	N	96.7	Very high	96.3	Very high	23 Å²	23	18.4 Å²	18.4	12%	0.123	11%	0.106	C	C	.	.	H	α-helix	trans	-64.9	-38	178.6	-65.8	-19.2	0	0	0	111.3	A908 I914 G915 N933 V935 R937	A908-N912 WeakPolarHBondContact O-CB 3.19Å; A908-N912 PolarHBondContact O-N 3.5Å; A908-N912 PolarHBondContact O-ND2 2.94Å; N912-I914 VanDerWaalsContact C-N 3.28Å; N912-I914 PolarHBondContact O-N 3.45Å; N912-G915 PolarHBondContact O-N 3.26Å; N912-N933 WeakPolarHBondContact CB-OD1 3.48Å; N912-N933 PolarHBondContact ND2-O 2.75Å; N912-V935 PolarHBondContact ND2-O 3.07Å; N912-R937 WeakPolarHBondContact OD1-CD 3.44Å; N912-R937 WeakPolarHBondContact OD1-CG 3.4Å
913	S	96.2	Very high	96	Very high	75 Å²	75	15.3 Å²	15.3	52%	0.524	9%	0.091	S	C	.	.	H	α-helix	trans	-64.6	-28	179.2	-57.9	0	0	0	0	113.8	E909 A910 M911 N933	E909-S913 VanDerWaalsContact O-CB 3.3Å; E909-S913 WeakPolarHBondContact O-CB 3.27Å; E909-S913 PolarHBondContact O-N 3.04Å; E909-S913 VanDerWaalsContact O-N 3.15Å; E909-S913 PolarHBondContact O-OG 2.76Å; A910-S913 PolarHBondContact O-N 3.27Å; M911-S913 VanDerWaalsContact C-N 3.31Å; M911-S913 PolarHBondContact O-N 2.9Å; S913-N933 PolarHBondContact OG-ND2 2.88Å
914	I	95.7	Very high	95.8	Very high	23 Å²	23	15.3 Å²	15.3	12%	0.118	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	1.4	173.8	65.3	179	0	0	0	113.7	F886 A910 M911 N912 G916 T1168 F1171	F886-I914 HydrophobicContact CB-CD1 4.44Å; F886-I914 HydrophobicContact CB-CG1 4.3Å; F886-I914 WeakPolarHBondContact CB-O 3.31Å; F886-I914 HydrophobicContact CD1-CD1 3.92Å; F886-I914 HydrophobicContact CD2-CB 3.84Å; F886-I914 HydrophobicContact CD2-CG1 4.4Å; F886-I914 VanDerWaalsContact CD2-O 3.26Å; F886-I914 WeakPolarHBondContact CD2-O 3.34Å; F886-I914 HydrophobicContact CE1-CD1 4.3Å; F886-I914 HydrophobicContact CE2-CB 4.17Å; F886-I914 HydrophobicContact CG-CB 4.13Å; F886-I914 HydrophobicContact CG-CD1 4.07Å; F886-I914 HydrophobicContact CG-CG1 4.19Å; A910-I914 PolarHBondContact O-N 3.27Å; M911-I914 HydrophobicContact CE-CD1 4.49Å; M911-I914 VanDerWaalsContact O-CG1 3.32Å; M911-I914 WeakPolarHBondContact O-CG1 3.41Å; M911-I914 PolarHBondContact O-N 3.34Å; M911-I914 HydrophobicContact SD-CD1 4.21Å; N912-I914 VanDerWaalsContact C-N 3.28Å; N912-I914 PolarHBondContact O-N 3.45Å; I914-G916 VanDerWaalsContact C-N 3.32Å; I914-G916 PolarHBondContact O-N 2.71Å; I914-T1168 HydrophobicContact CG2-CG2 3.66Å; I914-F1171 HydrophobicContact CD1-CB 3.72Å; I914-F1171 HydrophobicContact CD1-CD2 4.45Å; I914-F1171 HydrophobicContact CD1-CG 4.27Å
915	G	93.8	Very high	95.7	Very high	31 Å²	31	15.4 Å²	15.4	32%	0.32	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	8.2	-179.3	0	0	0	0	0	115.7	M911 N912 R937	M911-G915 PolarHBondContact O-N 2.99Å; M911-G915 VanDerWaalsContact O-N 3.15Å; N912-G915 PolarHBondContact O-N 3.26Å; G915-R937 PolarHBondContact O-NH1 3.09Å
916	G	94.4	Very high	95.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.092	C	C	.	.			trans	-81	-162.3	168.1	0	0	0	0	0	112.3	F886 M911 I914 R937	F886-G916 WeakPolarHBondContact O-CA 3.07Å; M911-G916 CarbonylContact O-C 3.51Å; M911-G916 PolarHBondContact O-N 3.42Å; I914-G916 VanDerWaalsContact C-N 3.32Å; I914-G916 PolarHBondContact O-N 2.71Å; G916-R937 PolarHBondContact O-NH1 3.29Å
917	N	95.4	Very high	95.3	Very high	16 Å²	16	18.5 Å²	18.5	9%	0.086	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	153.9	-178.4	-41.9	-71.8	0	0	0	113.1	F889 D890 T891 M911 R937 I938	F889-N917 PolarHBondContact O-N 3.03Å; D890-N917 WeakPolarHBondContact CA-O 3.5Å; D890-N917 WeakPolarHBondContact OD1-CB 3.38Å; D890-N917 PolarHBondContact OD1-ND2 3.16Å; T891-N917 PolarHBondContact N-O 3.49Å; M911-N917 WeakPolarHBondContact CE-O 3.45Å; M911-N917 WeakPolarHBondContact CG-O 3.34Å; N917-R937 HydrophobicContact CB-CB 4.23Å; N917-R937 PolarHBondContact OD1-NH1 3.09Å; N917-I938 HydrophobicContact CB-CD1 3.9Å; N917-I938 HydrophobicContact CB-CG1 3.81Å
918	S	96.8	Very high	95.1	Very high	2 Å²	2	22 Å²	22	1%	0.014	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	153.8	166.7	66.4	0	0	0	0	111.1	T891 A908 S936 R937 I938	T891-S918 VanDerWaalsContact OG1-CA 3.22Å; T891-S918 WeakPolarHBondContact OG1-CA 3.44Å; T891-S918 WeakPolarHBondContact OG1-CB 3.42Å; A908-S918 VanDerWaalsContact CA-OG 3.27Å; A908-S918 WeakPolarHBondContact CA-OG 2.98Å; A908-S918 WeakPolarHBondContact CB-OG 3.28Å; S918-S936 CarbonylContact O-C 3.58Å; S918-S936 WeakPolarHBondContact O-CB 3.24Å; S918-S936 WeakPolarHBondContact OG-CA 3.23Å; S918-S936 WeakPolarHBondContact OG-CB 3.26Å; S918-S936 PolarHBondContact OG-OG 2.67Å; S918-S936 VanDerWaalsContact OG-OG 3.07Å; S918-R937 PolarHBondContact O-N 2.97Å; S918-I938 WeakPolarHBondContact O-CB 3.27Å; S918-I938 PolarHBondContact O-N 2.82Å
919	N	97.5	Very high	95	Very high	8 Å²	8	22.3 Å²	22.3	4%	0.043	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-115.2	126.2	-175.2	-172.7	-39.9	0	0	0	111.9	T891 A893 H904 G921 I938 Q960	T891-N919 VanDerWaalsContact O-CB 3.3Å; T891-N919 WeakPolarHBondContact O-CB 3.12Å; T891-N919 PolarHBondContact O-N 3.15Å; A893-N919 HydrophobicContact CB-CB 4.4Å; A893-N919 WeakPolarHBondContact CB-OD1 3.05Å; H904-N919 PolarHBondContact NE2-O 2.89Å; N919-G921 PolarHBondContact O-N 2.7Å; N919-G921 PolarHBondContact OD1-N 2.83Å; N919-I938 WeakPolarHBondContact CA-O 3.32Å; N919-I938 HydrophobicContact CB-CB 3.94Å; N919-I938 HydrophobicContact CB-CG2 4.24Å; N919-I938 WeakPolarHBondContact ND2-CG2 3.29Å; N919-Q960 PolarHBondContact ND2-OE1 3.03Å
920	S	96.9	Very high	94.8	Very high	0 Å²	0	21 Å²	21	0%	0	14%	0.137	C	C	.	.			trans	-61.4	-26.4	-176.7	71.4	0	0	0	0	114.1	S895 H904 I938 Q940 Y952	S895-S920 WeakPolarHBondContact CA-O 3.49Å; H904-S920 WeakPolarHBondContact CE1-CA 3.44Å; H904-S920 WeakPolarHBondContact NE2-CA 3.49Å; H904-S920 PolarHBondContact NE2-O 2.98Å; S920-I938 PolarHBondContact N-O 2.81Å; S920-Q940 PolarHBondContact OG-N 3.07Å; S920-Y952 PolarHBondContact OG-OH 3.26Å
921	G	94.5	Very high	94.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	18%	0.177	C	C	.	.			trans	62.4	-176.1	-164.2	0	0	0	0	0	113.4	N919 G923	N919-G921 PolarHBondContact O-N 2.7Å; N919-G921 PolarHBondContact OD1-N 2.83Å; G921-G923 PolarHBondContact O-N 2.92Å
922	E	92.9	Very high	94.4	Very high	20 Å²	20	27.6 Å²	27.6	9%	0.093	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	12.7	-174.1	65	178.2	-149.3	0	0	116.2	A942 F946 K962 G973	E922-A942 HydrophobicContact CB-CB 3.68Å; E922-F946 WeakPolarHBondContact O-CD2 3.28Å; E922-K962 IonicContact OE2-NZ 2.77Å; E922-K962 PolarHBondContact OE2-NZ 2.87Å; E922-G973 WeakPolarHBondContact OE1-CA 3.28Å; E922-G973 WeakPolarHBondContact OE2-CA 3.27Å
923	G	90.3	Very high	94.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	1.6	-167.9	0	0	0	0	0	116.6	G921	G921-G923 PolarHBondContact O-N 2.92Å
924	G	92	Very high	94.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	20%	0.199	C	C	.	.			trans	71.5	-175.4	-158.6	0	0	0	0	0	111.9	I896 F946	I896-G924 WeakPolarHBondContact CG2-O 3.34Å; G924-F946 WeakPolarHBondContact CA-O 3.37Å; G924-F946 PolarHBondContact N-O 3.37Å
925	E	95.6	Very high	94.4	Very high	6 Å²	6	30.5 Å²	30.5	3%	0.028	20%	0.201	C	C	.	.			trans	-147.1	136.9	171.4	-177.9	155.2	107.1	0	0	110	H904 P927 R929 Y930 S936 K939 Y952	H904-E925 IonicContact CE1-OE2 3.36Å; H904-E925 PolarHBondContact CE1-OE2 3.13Å; E925-P927 WeakPolarHBondContact O-CD 3.44Å; E925-R929 VanDerWaalsContact CD-CZ 3.41Å; E925-R929 IonicContact OE1-NH2 2.68Å; E925-R929 IonicContact OE2-CZ 2.74Å; E925-R929 IonicContact OE2-NH1 2.78Å; E925-R929 PolarHBondContact OE2-NH1 2.89Å; E925-R929 IonicContact OE2-NH2 3.77Å; E925-R929 PolarHBondContact OE2-NH2 3Å; E925-Y930 HydrophobicContact CB-CE1 4.28Å; E925-Y930 HydrophobicContact CG-CE1 4.05Å; E925-Y930 PolarHBondContact O-OH 3.43Å; E925-S936 PolarHBondContact OE1-N 3.26Å; E925-S936 WeakPolarHBondContact OE2-CB 3.43Å; E925-S936 PolarHBondContact OE2-OG 3.02Å; E925-K939 IonicContact OE1-NZ 2.75Å; E925-K939 PolarHBondContact OE1-NZ 2.91Å; E925-Y952 HydrophobicContact CB-CD2 4.12Å; E925-Y952 HydrophobicContact CB-CE2 3.98Å
926	D	93.8	Very high	94.6	Very high	37 Å²	37	29 Å²	29	20%	0.198	19%	0.186	C	C	.	.			trans	-60.6	122.8	179.8	-164.5	-42.7	0	0	0	111.1	A928 R929 Y983 L987	D926-A928 PolarHBondContact O-N 3.12Å; D926-A928 VanDerWaalsContact O-N 3.09Å; D926-A928 VanDerWaalsContact OD1-CB 3.25Å; D926-A928 WeakPolarHBondContact OD1-CB 3.23Å; D926-A928 PolarHBondContact OD1-N 3.39Å; D926-R929 WeakPolarHBondContact O-CB 3.46Å; D926-R929 PolarHBondContact O-N 2.9Å; D926-Y983 WeakPolarHBondContact OD2-CE2 3.42Å; D926-Y983 PolarHBondContact OD2-OH 2.84Å; D926-Y983 VanDerWaalsContact OD2-OH 3.13Å; D926-L987 HydrophobicContact CB-CD2 3.83Å
927	P	92	Very high	94.7	Very high	77 Å²	77	32.6 Å²	32.6	50%	0.5	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-55	-24.5	175.9	-27.2	36.4	0	0	0	114.7	E925 R929 Y930	E925-P927 WeakPolarHBondContact O-CD 3.44Å; P927-R929 PolarHBondContact O-N 2.54Å; P927-R929 VanDerWaalsContact O-N 3.15Å; P927-Y930 HydrophobicContact CB-CD2 4.16Å; P927-Y930 HydrophobicContact CB-CE2 3.92Å; P927-Y930 HydrophobicContact CG-CE2 4.25Å; P927-Y930 WeakPolarHBondContact O-CB 3.49Å; P927-Y930 PolarHBondContact O-N 2.98Å
928	A	92.8	Very high	94.8	Very high	79 Å²	79	32 Å²	32	65%	0.653	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-63.6	-15.5	174.8	0	0	0	0	0	113.7	D926	D926-A928 PolarHBondContact O-N 3.12Å; D926-A928 VanDerWaalsContact O-N 3.09Å; D926-A928 VanDerWaalsContact OD1-CB 3.25Å; D926-A928 WeakPolarHBondContact OD1-CB 3.23Å; D926-A928 PolarHBondContact OD1-N 3.39Å
929	R	95.1	Very high	94.9	Very high	5 Å²	5	31.9 Å²	31.9	2%	0.019	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-84.9	-17.5	174.3	-69.1	170.4	56.6	-159.7	-10.2	113	H904 E925 D926 P927 T932 K934 S936	H904-R929 PolarHBondContact CE1-NH1 3.45Å; H904-R929 PolarHBondContact CE1-NH2 3.18Å; H904-R929 VanDerWaalsContact CE1-NH2 3.33Å; H904-R929 PolarHBondContact ND1-NH1 3.27Å; E925-R929 VanDerWaalsContact CD-CZ 3.41Å; E925-R929 IonicContact OE1-NH2 2.68Å; E925-R929 IonicContact OE2-CZ 2.74Å; E925-R929 IonicContact OE2-NH1 2.78Å; E925-R929 PolarHBondContact OE2-NH1 2.89Å; E925-R929 IonicContact OE2-NH2 3.77Å; E925-R929 PolarHBondContact OE2-NH2 3Å; D926-R929 WeakPolarHBondContact O-CB 3.46Å; D926-R929 PolarHBondContact O-N 2.9Å; P927-R929 PolarHBondContact O-N 2.54Å; P927-R929 VanDerWaalsContact O-N 3.15Å; R929-T932 WeakPolarHBondContact O-CB 3.48Å; R929-T932 PolarHBondContact O-N 3.23Å; R929-T932 PolarHBondContact O-OG1 2.74Å; R929-K934 HydrophobicContact CG-CB 4.25Å; R929-K934 PolarHBondContact NE-O 3.01Å; R929-K934 PolarHBondContact NH2-O 2.94Å; R929-S936 PolarHBondContact NH2-OG 3.07Å; R929-S936 VanDerWaalsContact NH2-OG 3.09Å
930	Y	93.9	Very high	94.9	Very high	38 Å²	38	31.8 Å²	31.8	15%	0.149	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	141.4	-176.9	-56.4	-9.9	0	0	0	110.5	E925 P927 T932 V935 A951 N955	E925-Y930 HydrophobicContact CB-CE1 4.28Å; E925-Y930 HydrophobicContact CG-CE1 4.05Å; E925-Y930 PolarHBondContact O-OH 3.43Å; P927-Y930 HydrophobicContact CB-CD2 4.16Å; P927-Y930 HydrophobicContact CB-CE2 3.92Å; P927-Y930 HydrophobicContact CG-CE2 4.25Å; P927-Y930 WeakPolarHBondContact O-CB 3.49Å; P927-Y930 PolarHBondContact O-N 2.98Å; Y930-T932 PolarHBondContact O-N 3.29Å; Y930-V935 HydrophobicContact CD1-CG2 4.26Å; Y930-A951 HydrophobicContact CE2-CB 4.17Å; Y930-N955 HydrophobicContact CD1-CB 4.28Å; Y930-N955 HydrophobicContact CD2-CB 4.4Å; Y930-N955 HydrophobicContact CG-CB 4.19Å
931	G	90.9	Very high	94.9	Very high	82 Å²	82	31.8 Å²	31.8	85%	0.845	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.6	3.8	-173.4	0	0	0	0	0	115.7
932	T	95.9	Very high	95	Very high	58 Å²	58	32 Å²	32	36%	0.356	20%	0.196	S	C	.	.	S	Bend	trans	-109.6	164.2	177	79.5	0	0	0	0	111.9	R929 Y930 K934 V935	R929-T932 WeakPolarHBondContact O-CB 3.48Å; R929-T932 PolarHBondContact O-N 3.23Å; R929-T932 PolarHBondContact O-OG1 2.74Å; Y930-T932 PolarHBondContact O-N 3.29Å; T932-K934 PolarHBondContact O-N 3.05Å; T932-K934 WeakPolarHBondContact OG1-CB 3.4Å; T932-K934 PolarHBondContact OG1-N 2.77Å; T932-K934 VanDerWaalsContact OG1-N 3.1Å; T932-V935 WeakPolarHBondContact O-CG1 3.43Å; T932-V935 PolarHBondContact O-N 3.03Å
933	N	95.3	Very high	95.1	Very high	80 Å²	80	31.3 Å²	31.3	43%	0.428	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-5.4	172.1	-161.5	38.1	0	0	0	113.6	E909 N912 S913	E909-N933 WeakPolarHBondContact CA-O 3.33Å; N912-N933 WeakPolarHBondContact CB-OD1 3.48Å; N912-N933 PolarHBondContact ND2-O 2.75Å; S913-N933 PolarHBondContact OG-ND2 2.88Å
934	K	96.3	Very high	95.2	Very high	76 Å²	76	31.4 Å²	31.4	33%	0.33	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-1.1	177.5	-60.4	-178.9	167.6	-166.3	0	113.7	E905 A908 R929 T932	E905-K934 HydrophobicContact CB-CD 4.3Å; E905-K934 HydrophobicContact CG-CD 4.22Å; E905-K934 WeakPolarHBondContact OE2-CD 3.32Å; E905-K934 WeakPolarHBondContact OE2-CE 3.25Å; E905-K934 IonicContact OE2-NZ 3.37Å; E905-K934 PolarHBondContact OE2-NZ 3.46Å; A908-K934 VanDerWaalsContact CB-O 3.24Å; A908-K934 WeakPolarHBondContact CB-O 3.34Å; R929-K934 HydrophobicContact CG-CB 4.25Å; R929-K934 PolarHBondContact NE-O 3.01Å; R929-K934 PolarHBondContact NH2-O 2.94Å; T932-K934 PolarHBondContact O-N 3.05Å; T932-K934 WeakPolarHBondContact OG1-CB 3.4Å; T932-K934 PolarHBondContact OG1-N 2.77Å; T932-K934 VanDerWaalsContact OG1-N 3.1Å
935	V	96.9	Very high	95.4	Very high	25 Å²	25	31.5 Å²	31.5	15%	0.152	20%	0.195	C	C	.	.			trans	-65.9	139.9	178.8	69.8	0	0	0	0	111.5	N912 Y930 T932 R937	N912-V935 PolarHBondContact ND2-O 3.07Å; Y930-V935 HydrophobicContact CD1-CG2 4.26Å; T932-V935 WeakPolarHBondContact O-CG1 3.43Å; T932-V935 PolarHBondContact O-N 3.03Å; V935-R937 PolarHBondContact O-N 2.7Å
936	S	97.6	Very high	95.3	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.007	20%	0.196	C	C	.	.			trans	-83.7	113.5	168.8	-70.2	0	0	0	0	110.9	H904 S918 E925 R929 I938 K939	H904-S936 PolarHBondContact CE1-OG 2.79Å; S918-S936 CarbonylContact O-C 3.58Å; S918-S936 WeakPolarHBondContact O-CB 3.24Å; S918-S936 WeakPolarHBondContact OG-CA 3.23Å; S918-S936 WeakPolarHBondContact OG-CB 3.26Å; S918-S936 PolarHBondContact OG-OG 2.67Å; S918-S936 VanDerWaalsContact OG-OG 3.07Å; E925-S936 PolarHBondContact OE1-N 3.26Å; E925-S936 WeakPolarHBondContact OE2-CB 3.43Å; E925-S936 PolarHBondContact OE2-OG 3.02Å; R929-S936 PolarHBondContact NH2-OG 3.07Å; R929-S936 VanDerWaalsContact NH2-OG 3.09Å; S936-I938 PolarHBondContact O-N 2.9Å; S936-K939 PolarHBondContact O-NZ 2.89Å
937	R	96.5	Very high	95.1	Very high	75 Å²	75	30.2 Å²	30.2	28%	0.283	19%	0.189	S	C	.	.	S	Bend	trans	-63.4	-24.1	-177.5	-63.8	177	70.6	-164.8	2.2	113.3	N912 G915 G916 N917 S918 V935 D957 V958	N912-R937 WeakPolarHBondContact OD1-CD 3.44Å; N912-R937 WeakPolarHBondContact OD1-CG 3.4Å; G915-R937 PolarHBondContact O-NH1 3.09Å; G916-R937 PolarHBondContact O-NH1 3.29Å; N917-R937 HydrophobicContact CB-CB 4.23Å; N917-R937 PolarHBondContact OD1-NH1 3.09Å; S918-R937 PolarHBondContact O-N 2.97Å; V935-R937 PolarHBondContact O-N 2.7Å; R937-D957 HydrophobicContact CB-CB 4.44Å; R937-D957 IonicContact CZ-OD2 2.86Å; R937-D957 IonicContact NE-OD2 3.84Å; R937-D957 PolarHBondContact NE-OD2 2.87Å; R937-D957 IonicContact NH2-OD2 3.54Å; R937-D957 PolarHBondContact NH2-OD2 3.01Å; R937-D957 PolarHBondContact O-N 2.77Å; R937-V958 PolarHBondContact O-N 3Å
938	I	98	Very high	95.4	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	128.2	169.7	-44.8	-171.4	0	0	0	109.7	D890 N917 S918 N919 S920 S936 V958 Q960	D890-I938 HydrophobicContact CB-CD1 4.16Å; D890-I938 WeakPolarHBondContact OD2-CD1 3.33Å; N917-I938 HydrophobicContact CB-CD1 3.9Å; N917-I938 HydrophobicContact CB-CG1 3.81Å; S918-I938 WeakPolarHBondContact O-CB 3.27Å; S918-I938 PolarHBondContact O-N 2.82Å; N919-I938 WeakPolarHBondContact CA-O 3.32Å; N919-I938 HydrophobicContact CB-CB 3.94Å; N919-I938 HydrophobicContact CB-CG2 4.24Å; N919-I938 WeakPolarHBondContact ND2-CG2 3.29Å; S920-I938 PolarHBondContact N-O 2.81Å; S936-I938 PolarHBondContact O-N 2.9Å; I938-V958 VanDerWaalsContact CA-O 3.3Å; I938-V958 WeakPolarHBondContact CA-O 3.49Å; I938-V958 HydrophobicContact CB-CB 4.37Å; I938-V958 HydrophobicContact CD1-CB 4.42Å; I938-V958 HydrophobicContact CG1-CB 4.01Å; I938-V958 HydrophobicContact CG1-CG2 4.33Å; I938-V958 HydrophobicContact CG2-CB 4.06Å; I938-V958 HydrophobicContact CG2-CG1 4.21Å; I938-Q960 HydrophobicContact CG2-CB 4.08Å
939	K	98	Very high	95.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.6	-179.9	-68.8	-79.8	-163.8	-75.9	0	109	E925 S936 Y952 N955 A956 V958 I959 Q960	E925-K939 IonicContact OE1-NZ 2.75Å; E925-K939 PolarHBondContact OE1-NZ 2.91Å; S936-K939 PolarHBondContact O-NZ 2.89Å; K939-Y952 HydrophobicContact CB-CD1 4.43Å; K939-Y952 HydrophobicContact CB-CE1 3.8Å; K939-Y952 HydrophobicContact CD-CD1 4.31Å; K939-Y952 HydrophobicContact CD-CD2 3.68Å; K939-Y952 HydrophobicContact CD-CE1 4.07Å; K939-Y952 HydrophobicContact CD-CE2 3.39Å; K939-Y952 HydrophobicContact CD-CG 4.12Å; K939-Y952 WeakPolarHBondContact CE-O 3.25Å; K939-Y952 HydrophobicContact CG-CE1 4.44Å; K939-N955 PolarHBondContact NZ-O 3.43Å; K939-A956 HydrophobicContact CB-CB 3.79Å; K939-A956 HydrophobicContact CG-CB 3.58Å; K939-V958 PolarHBondContact N-O 2.67Å; K939-I959 CarbonylContact O-C 3.47Å; K939-I959 WeakPolarHBondContact O-CA 3.22Å; K939-Q960 PolarHBondContact O-N 3.49Å
940	Q	97.5	Very high	95.6	Very high	6 Å²	6	22.9 Å²	22.9	3%	0.028	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	132	-175.5	-169.9	170.4	74.6	0	0	112.5	S920 Y952 Q960 K962	S920-Q940 PolarHBondContact OG-N 3.07Å; Q940-Y952 PolarHBondContact N-OH 2.9Å; Q940-Y952 PolarHBondContact O-OH 2.9Å; Q940-Q960 CarbonylContact C-O 3.53Å; Q940-Q960 WeakPolarHBondContact CA-O 3.3Å; Q940-Q960 WeakPolarHBondContact CG-O 3.41Å; Q940-K962 HydrophobicContact CG-CB 3.73Å; Q940-K962 HydrophobicContact CG-CG 4.49Å
941	V	97.8	Very high	95.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	110.5	170.1	179.4	0	0	0	0	107.9	V948 L953 I959 Q960 K962 H1002 L1018	V941-V948 HydrophobicContact CG2-CG1 4.15Å; V941-L953 HydrophobicContact CG2-CD2 3.82Å; V941-I959 HydrophobicContact CG2-CG2 3.67Å; V941-Q960 PolarHBondContact N-O 2.91Å; V941-K962 PolarHBondContact O-N 3.24Å; V941-H1002 PolarHBondContact O-CE1 3.18Å; V941-H1002 VanDerWaalsContact O-CE1 3.32Å; V941-L1018 HydrophobicContact CG2-CD2 4.23Å
942	A	95.8	Very high	96.1	Very high	5 Å²	5	17.5 Å²	17.5	4%	0.041	9%	0.091	C	C	.	.			trans	-121.7	167.2	-177.6	0	0	0	0	0	111.6	E922 G944 R945 K962 H1002	E922-A942 HydrophobicContact CB-CB 3.68Å; A942-G944 VanDerWaalsContact C-N 3.27Å; A942-G944 PolarHBondContact O-N 3.42Å; A942-G944 VanDerWaalsContact O-N 3.12Å; A942-R945 VanDerWaalsContact C-NH1 3.32Å; A942-R945 PolarHBondContact O-N 2.56Å; A942-R945 PolarHBondContact O-NH1 3.42Å; A942-K962 HydrophobicContact CB-CB 4.1Å; A942-K962 HydrophobicContact CB-CD 3.76Å; A942-H1002 VanDerWaalsContact C-NE2 3.32Å; A942-H1002 WeakPolarHBondContact CA-NE2 3.48Å
943	S	94.7	Very high	96.2	Very high	6 Å²	6	14.8 Å²	14.8	4%	0.042	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-32	-173.8	54.8	0	0	0	0	115.6	R945 S998 P999 P1001 H1002 Y1362	S943-R945 VanDerWaalsContact C-N 3.28Å; S943-R945 PolarHBondContact O-N 2.99Å; S943-S998 WeakPolarHBondContact OG-CB 3.19Å; S943-P999 WeakPolarHBondContact CB-O 3.43Å; S943-P999 PolarHBondContact OG-O 3.5Å; S943-P1001 WeakPolarHBondContact CB-O 2.91Å; S943-H1002 PolarHBondContact N-CD2 3.33Å; S943-H1002 PolarHBondContact N-NE2 3.15Å; S943-H1002 VanDerWaalsContact N-NE2 3.12Å; S943-Y1362 WeakPolarHBondContact CA-OH 3.26Å; S943-Y1362 PolarHBondContact O-OH 2.91Å
944	G	93.1	Very high	96.3	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.01	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-16	175.2	0	0	0	0	0	114.9	A942 F946 R1382	A942-G944 VanDerWaalsContact C-N 3.27Å; A942-G944 PolarHBondContact O-N 3.42Å; A942-G944 VanDerWaalsContact O-N 3.12Å; G944-F946 PolarHBondContact O-N 3.35Å; G944-R1382 PolarHBondContact O-NE 2.89Å
945	R	95.5	Very high	96.3	Very high	3 Å²	3	10.5 Å²	10.5	1%	0.011	6%	0.055	C	C	.	.			trans	48.8	24.5	-173.4	-65.3	-64.3	-173	-77.6	1.4	114.7	A942 S943 G947 V948 H1002 D1004 Y1362	A942-R945 VanDerWaalsContact C-NH1 3.32Å; A942-R945 PolarHBondContact O-N 2.56Å; A942-R945 PolarHBondContact O-NH1 3.42Å; S943-R945 VanDerWaalsContact C-N 3.28Å; S943-R945 PolarHBondContact O-N 2.99Å; R945-G947 PolarHBondContact O-N 2.84Å; R945-V948 PolarHBondContact O-N 2.98Å; R945-H1002 PolarHBondContact NH1-CE1 3.2Å; R945-H1002 PolarHBondContact NH1-ND1 3.46Å; R945-H1002 VanDerWaalsContact NH1-ND1 3.13Å; R945-H1002 PolarHBondContact NH2-ND1 3.19Å; R945-D1004 IonicContact CZ-OD1 2.58Å; R945-D1004 IonicContact CZ-OD2 2.68Å; R945-D1004 IonicContact NH2-OD1 2.61Å; R945-D1004 PolarHBondContact NH2-OD1 3.12Å; R945-D1004 IonicContact NH2-OD2 2.66Å; R945-D1004 PolarHBondContact NH2-OD2 2.7Å; R945-Y1362 HydrophobicContact CG-CD2 4.36Å; R945-Y1362 HydrophobicContact CG-CE1 4.15Å; R945-Y1362 HydrophobicContact CG-CE2 3.91Å; R945-Y1362 PolarHBondContact NH1-OH 3.26Å
946	F	93	Very high	96.3	Very high	10 Å²	10	9.6 Å²	9.6	4%	0.044	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	122.1	-177.4	-58.5	-55.4	0	0	0	111.4	E922 G924 G944 V948 R988 L996 S998	E922-F946 WeakPolarHBondContact O-CD2 3.28Å; G924-F946 WeakPolarHBondContact CA-O 3.37Å; G924-F946 PolarHBondContact N-O 3.37Å; G944-F946 PolarHBondContact O-N 3.35Å; F946-V948 PolarHBondContact O-N 2.89Å; F946-R988 HydrophobicContact CB-CB 3.92Å; F946-R988 HydrophobicContact CB-CG 3.86Å; F946-R988 HydrophobicContact CD1-CB 3.89Å; F946-R988 HydrophobicContact CD1-CG 4.46Å; F946-R988 HydrophobicContact CG-CB 4.07Å; F946-R988 HydrophobicContact CG-CG 4.17Å; F946-L996 HydrophobicContact CE1-CD1 4.26Å; F946-L996 HydrophobicContact CE1-CD2 4.39Å; F946-L996 HydrophobicContact CZ-CB 4.09Å; F946-L996 HydrophobicContact CZ-CD1 4.2Å; F946-L996 HydrophobicContact CZ-CD2 4.41Å; F946-L996 HydrophobicContact CZ-CG 4.46Å; F946-S998 WeakPolarHBondContact CE2-OG 3.19Å
947	G	90.8	Very high	96.3	Very high	6 Å²	6	13 Å²	13	6%	0.062	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	14.5	178.7	0	0	0	0	0	115.4	R945 T949 Y952 L987	R945-G947 PolarHBondContact O-N 2.84Å; G947-T949 PolarHBondContact O-N 3.16Å; G947-Y952 WeakPolarHBondContact O-CB 3.18Å; G947-Y952 WeakPolarHBondContact O-CD2 3.45Å; G947-L987 VanDerWaalsContact CA-O 3.29Å; G947-L987 WeakPolarHBondContact CA-O 3.37Å
948	V	97.1	Very high	96.3	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.012	6%	0.057	C	C	.	.			trans	-83.7	90.6	179.1	-176.1	0	0	0	0	109.4	V941 R945 F946 Y952 L953 W1312	V941-V948 HydrophobicContact CG2-CG1 4.15Å; R945-V948 PolarHBondContact O-N 2.98Å; F946-V948 PolarHBondContact O-N 2.89Å; V948-Y952 HydrophobicContact CB-CD1 4.49Å; V948-Y952 HydrophobicContact CG1-CD1 4.33Å; V948-Y952 HydrophobicContact CG1-CE1 4.5Å; V948-Y952 HydrophobicContact CG2-CE1 4.17Å; V948-L953 HydrophobicContact CG1-CD1 4.17Å; V948-L953 HydrophobicContact CG1-CD2 4.02Å; V948-L953 HydrophobicContact CG1-CG 4.18Å; V948-W1312 HydrophobicContact CG1-CH2 4.03Å; V948-W1312 HydrophobicContact CG1-CZ3 3.71Å
949	T	96.6	Very high	96.4	Very high	4 Å²	4	9.8 Å²	9.8	3%	0.025	6%	0.057	C	C	.	.			trans	-111.9	167.3	176.2	76.1	0	0	0	0	111.7	G947 A951 Y952 L953 Y989 D1289 T1365	G947-T949 PolarHBondContact O-N 3.16Å; T949-A951 VanDerWaalsContact C-N 3.32Å; T949-A951 PolarHBondContact O-N 2.92Å; T949-Y952 WeakPolarHBondContact O-CB 3.48Å; T949-Y952 PolarHBondContact O-N 2.69Å; T949-Y952 PolarHBondContact OG1-N 2.67Å; T949-L953 WeakPolarHBondContact O-CG 3.43Å; T949-L953 PolarHBondContact O-N 2.77Å; T949-Y989 HydrophobicContact CG2-CE2 4.14Å; T949-D1289 WeakPolarHBondContact CB-OD2 3.12Å; T949-D1289 PolarHBondContact OG1-OD2 2.98Å; T949-T1365 HydrophobicContact CG2-CG2 4.41Å
950	P	97.4	Very high	96.4	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-53.5	-46	173.2	-27.5	36.4	0	0	0	112.9	Y952 L953 V954 A1284 D1289 W1312 A1334	P950-Y952 VanDerWaalsContact C-N 3.34Å; P950-Y952 PolarHBondContact O-N 2.88Å; P950-L953 PolarHBondContact O-N 3.02Å; P950-L953 VanDerWaalsContact O-N 3.16Å; P950-V954 WeakPolarHBondContact O-CG2 3.44Å; P950-V954 PolarHBondContact O-N 3.37Å; P950-A1284 HydrophobicContact CB-CB 3.59Å; P950-D1289 WeakPolarHBondContact CB-OD1 3.35Å; P950-D1289 VanDerWaalsContact CD-OD1 3.28Å; P950-D1289 WeakPolarHBondContact CD-OD1 3.23Å; P950-W1312 HydrophobicContact CG-CB 4.1Å; P950-W1312 WeakPolarHBondContact CG-O 3.36Å; P950-A1334 HydrophobicContact CG-CB 4.19Å
951	A	96.6	Very high	96.4	Very high	8 Å²	8	9.6 Å²	9.6	7%	0.066	6%	0.056	C	C	.	.	H	α-helix	trans	-62.1	-39.1	177.4	0	0	0	0	0	112.4	Y930 T949 L953 N955 A1284 D1289	Y930-A951 HydrophobicContact CE2-CB 4.17Å; T949-A951 VanDerWaalsContact C-N 3.32Å; T949-A951 PolarHBondContact O-N 2.92Å; A951-L953 VanDerWaalsContact C-N 3.35Å; A951-N955 PolarHBondContact O-N 3.24Å; A951-N955 PolarHBondContact O-ND2 2.72Å; A951-A1284 HydrophobicContact CB-CB 4.4Å; A951-D1289 VanDerWaalsContact CB-CG 3.48Å; A951-D1289 VanDerWaalsContact CB-OD1 3.28Å; A951-D1289 WeakPolarHBondContact CB-OD1 3.37Å; A951-D1289 WeakPolarHBondContact CB-OD2 3.34Å; A951-D1289 PolarHBondContact N-OD1 3.29Å
952	Y	97.5	Very high	96.4	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-61.2	-41.8	173.8	171.1	-88.4	0	0	0	111.9	S920 E925 K939 Q940 G947 V948 T949 P950	S920-Y952 PolarHBondContact OG-OH 3.26Å; E925-Y952 HydrophobicContact CB-CD2 4.12Å; E925-Y952 HydrophobicContact CB-CE2 3.98Å; K939-Y952 HydrophobicContact CB-CD1 4.43Å; K939-Y952 HydrophobicContact CB-CE1 3.8Å; K939-Y952 HydrophobicContact CD-CD1 4.31Å; K939-Y952 HydrophobicContact CD-CD2 3.68Å; K939-Y952 HydrophobicContact CD-CE1 4.07Å; K939-Y952 HydrophobicContact CD-CE2 3.39Å; K939-Y952 HydrophobicContact CD-CG 4.12Å; K939-Y952 WeakPolarHBondContact CE-O 3.25Å; K939-Y952 HydrophobicContact CG-CE1 4.44Å; Q940-Y952 PolarHBondContact N-OH 2.9Å; Q940-Y952 PolarHBondContact O-OH 2.9Å; G947-Y952 WeakPolarHBondContact O-CB 3.18Å; G947-Y952 WeakPolarHBondContact O-CD2 3.45Å; V948-Y952 HydrophobicContact CB-CD1 4.49Å; V948-Y952 HydrophobicContact CG1-CD1 4.33Å; V948-Y952 HydrophobicContact CG1-CE1 4.5Å; V948-Y952 HydrophobicContact CG2-CE1 4.17Å; T949-Y952 WeakPolarHBondContact O-CB 3.48Å; T949-Y952 PolarHBondContact O-N 2.69Å; T949-Y952 PolarHBondContact OG1-N 2.67Å; P950-Y952 VanDerWaalsContact C-N 3.34Å; P950-Y952 PolarHBondContact O-N 2.88Å
953	L	98.2	Very high	96.3	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-75.1	-35.4	-177.8	-66.5	174.7	0	0	0	113.7	V941 V948 T949 P950 A951 N955 A956 I959 L1018 V1021 N1022 W1312	V941-L953 HydrophobicContact CG2-CD2 3.82Å; V948-L953 HydrophobicContact CG1-CD1 4.17Å; V948-L953 HydrophobicContact CG1-CD2 4.02Å; V948-L953 HydrophobicContact CG1-CG 4.18Å; T949-L953 WeakPolarHBondContact O-CG 3.43Å; T949-L953 PolarHBondContact O-N 2.77Å; P950-L953 PolarHBondContact O-N 3.02Å; P950-L953 VanDerWaalsContact O-N 3.16Å; A951-L953 VanDerWaalsContact C-N 3.35Å; L953-N955 VanDerWaalsContact C-N 3.34Å; L953-A956 VanDerWaalsContact O-CB 3.3Å; L953-A956 WeakPolarHBondContact O-CB 3.42Å; L953-I959 HydrophobicContact CB-CD1 4.48Å; L953-I959 HydrophobicContact CD2-CD1 4.22Å; L953-I959 HydrophobicContact CD2-CG2 4.13Å; L953-L1018 HydrophobicContact CD1-CD2 4.02Å; L953-L1018 HydrophobicContact CD2-CD2 3.93Å; L953-V1021 HydrophobicContact CB-CG1 4.25Å; L953-V1021 HydrophobicContact CD1-CG1 3.93Å; L953-N1022 PolarHBondContact O-ND2 2.71Å; L953-W1312 HydrophobicContact CD1-CD2 3.61Å; L953-W1312 HydrophobicContact CD1-CE3 3.82Å; L953-W1312 HydrophobicContact CD1-CG 4.09Å; L953-W1312 HydrophobicContact CD1-CH2 4.34Å; L953-W1312 HydrophobicContact CD1-CZ2 4.14Å; L953-W1312 HydrophobicContact CD1-CZ3 4.17Å
954	V	97.6	Very high	96.2	Very high	13 Å²	13	11.3 Å²	11.3	8%	0.079	7%	0.065	C	C	.	.	H	α-helix	trans	-80.1	-13.1	179.1	-58.2	0	0	0	0	114.1	P950 A956 V1021 N1022 A1284 Q1285	P950-V954 WeakPolarHBondContact O-CG2 3.44Å; P950-V954 PolarHBondContact O-N 3.37Å; V954-A956 VanDerWaalsContact C-N 3.25Å; V954-A956 PolarHBondContact O-N 3.38Å; V954-V1021 HydrophobicContact CG1-CG2 4.37Å; V954-N1022 HydrophobicContact CG1-CB 4.46Å; V954-A1284 HydrophobicContact CG2-CB 4.26Å; V954-Q1285 HydrophobicContact CB-CB 4.39Å; V954-Q1285 HydrophobicContact CG2-CB 4.11Å
955	N	97	Very high	96	Very high	54 Å²	54	12.6 Å²	12.6	29%	0.289	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	33.1	170.6	-75.2	-85	0	0	0	112	Y930 K939 A951 L953	Y930-N955 HydrophobicContact CD1-CB 4.28Å; Y930-N955 HydrophobicContact CD2-CB 4.4Å; Y930-N955 HydrophobicContact CG-CB 4.19Å; K939-N955 PolarHBondContact NZ-O 3.43Å; A951-N955 PolarHBondContact O-N 3.24Å; A951-N955 PolarHBondContact O-ND2 2.72Å; L953-N955 VanDerWaalsContact C-N 3.34Å
956	A	97	Very high	95.6	Very high	5 Å²	5	12.6 Å²	12.6	4%	0.041	7%	0.072	C	C	.	.			trans	-120.1	136.6	178.1	0	0	0	0	0	111.1	K939 L953 V954 I959 N1022	K939-A956 HydrophobicContact CB-CB 3.79Å; K939-A956 HydrophobicContact CG-CB 3.58Å; L953-A956 VanDerWaalsContact O-CB 3.3Å; L953-A956 WeakPolarHBondContact O-CB 3.42Å; V954-A956 VanDerWaalsContact C-N 3.25Å; V954-A956 PolarHBondContact O-N 3.38Å; A956-I959 HydrophobicContact CB-CD1 4.41Å; A956-I959 HydrophobicContact CB-CG1 3.63Å; A956-N1022 PolarHBondContact O-ND2 2.72Å
957	D	96.4	Very high	95.5	Very high	74 Å²	74	12.1 Å²	12.1	40%	0.396	7%	0.07	S	C	.	.	S	Bend	trans	-89.7	-28.3	163.5	-68.6	-10.9	0	0	0	110.6	R937 A1025 M1026	R937-D957 HydrophobicContact CB-CB 4.44Å; R937-D957 IonicContact CZ-OD2 2.86Å; R937-D957 IonicContact NE-OD2 3.84Å; R937-D957 PolarHBondContact NE-OD2 2.87Å; R937-D957 IonicContact NH2-OD2 3.54Å; R937-D957 PolarHBondContact NH2-OD2 3.01Å; R937-D957 PolarHBondContact O-N 2.77Å; D957-A1025 VanDerWaalsContact O-CA 3.32Å; D957-A1025 WeakPolarHBondContact O-CA 3.37Å; D957-M1026 PolarHBondContact O-N 2.92Å
958	V	97.5	Very high	95.5	Very high	8 Å²	8	12 Å²	12	5%	0.048	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	131.9	173.4	-172.6	0	0	0	0	109.1	R937 I938 K939 M1026	R937-V958 PolarHBondContact O-N 3Å; I938-V958 VanDerWaalsContact CA-O 3.3Å; I938-V958 WeakPolarHBondContact CA-O 3.49Å; I938-V958 HydrophobicContact CB-CB 4.37Å; I938-V958 HydrophobicContact CD1-CB 4.42Å; I938-V958 HydrophobicContact CG1-CB 4.01Å; I938-V958 HydrophobicContact CG1-CG2 4.33Å; I938-V958 HydrophobicContact CG2-CB 4.06Å; I938-V958 HydrophobicContact CG2-CG1 4.21Å; K939-V958 PolarHBondContact N-O 2.67Å; V958-M1026 CarbonylContact C-O 3.53Å; V958-M1026 VanDerWaalsContact CA-O 3.31Å; V958-M1026 WeakPolarHBondContact CA-O 3.09Å; V958-M1026 HydrophobicContact CG1-CB 4.43Å; V958-M1026 WeakPolarHBondContact CG1-O 3.4Å; V958-M1026 HydrophobicContact CG2-CB 4.41Å; V958-M1026 HydrophobicContact CG2-CE 3.66Å
959	I	98.5	Very high	95.2	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	119.2	171.9	-57.2	165.7	0	0	0	108	K939 V941 L953 A956 L1018 N1022 A1025 M1026 I1027 S1028	K939-I959 CarbonylContact O-C 3.47Å; K939-I959 WeakPolarHBondContact O-CA 3.22Å; V941-I959 HydrophobicContact CG2-CG2 3.67Å; L953-I959 HydrophobicContact CB-CD1 4.48Å; L953-I959 HydrophobicContact CD2-CD1 4.22Å; L953-I959 HydrophobicContact CD2-CG2 4.13Å; A956-I959 HydrophobicContact CB-CD1 4.41Å; A956-I959 HydrophobicContact CB-CG1 3.63Å; I959-L1018 HydrophobicContact CD1-CB 4.43Å; I959-L1018 HydrophobicContact CD1-CD2 4.47Å; I959-L1018 HydrophobicContact CG2-CD1 3.81Å; I959-L1018 HydrophobicContact CG2-CD2 4.14Å; I959-L1018 HydrophobicContact CG2-CG 4.48Å; I959-N1022 HydrophobicContact CD1-CB 4.15Å; I959-A1025 HydrophobicContact CD1-CB 3.88Å; I959-A1025 HydrophobicContact CG1-CB 3.92Å; I959-M1026 PolarHBondContact N-O 3.17Å; I959-I1027 HydrophobicContact CB-CD1 3.98Å; I959-I1027 HydrophobicContact CD1-CD1 4.17Å; I959-I1027 WeakPolarHBondContact O-CA 3.39Å; I959-S1028 PolarHBondContact O-N 3.14Å
960	Q	98.4	Very high	94.7	Very high	3 Å²	3	11.9 Å²	11.9	1%	0.014	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	111.5	-178.5	-179.8	172.4	85.4	0	0	111.7	N919 I938 K939 Q940 V941 K962 S1028 K1030 T1053	N919-Q960 PolarHBondContact ND2-OE1 3.03Å; I938-Q960 HydrophobicContact CG2-CB 4.08Å; K939-Q960 PolarHBondContact O-N 3.49Å; Q940-Q960 CarbonylContact C-O 3.53Å; Q940-Q960 WeakPolarHBondContact CA-O 3.3Å; Q940-Q960 WeakPolarHBondContact CG-O 3.41Å; V941-Q960 PolarHBondContact N-O 2.91Å; Q960-K962 PolarHBondContact O-N 2.89Å; Q960-S1028 CarbonylContact C-O 3.52Å; Q960-S1028 WeakPolarHBondContact CA-O 3.02Å; Q960-S1028 WeakPolarHBondContact CG-OG 3.22Å; Q960-S1028 PolarHBondContact NE2-OG 3.43Å; Q960-K1030 HydrophobicContact CG-CB 4.01Å; Q960-T1053 PolarHBondContact NE2-OG1 2.82Å
961	I	98.4	Very high	94.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	115.6	167.3	-56.1	172.3	0	0	0	108.2	V963 I1005 L1011 L1014 I1015 L1018 I1027 S1028 V1029 K1030	I961-V963 HydrophobicContact CG2-CG2 4.19Å; I961-V963 PolarHBondContact O-N 3.16Å; I961-I1005 HydrophobicContact CG2-CD1 3.84Å; I961-L1011 HydrophobicContact CD1-CD1 3.75Å; I961-L1011 HydrophobicContact CG2-CD1 4.09Å; I961-L1014 HydrophobicContact CD1-CD2 3.91Å; I961-L1014 HydrophobicContact CD1-CG 3.95Å; I961-L1014 HydrophobicContact CG1-CD2 4.06Å; I961-L1014 HydrophobicContact CG1-CG 4.42Å; I961-L1014 HydrophobicContact CG2-CD2 3.89Å; I961-I1015 HydrophobicContact CD1-CG1 3.6Å; I961-L1018 HydrophobicContact CD1-CD1 3.91Å; I961-L1018 HydrophobicContact CG1-CD1 3.73Å; I961-I1027 HydrophobicContact CD1-CG2 3.86Å; I961-I1027 HydrophobicContact CG1-CG2 4.25Å; I961-S1028 PolarHBondContact N-O 3Å; I961-V1029 HydrophobicContact CB-CG2 4.45Å; I961-V1029 HydrophobicContact CD1-CG2 4.28Å; I961-K1030 PolarHBondContact O-N 2.87Å
962	K	96.5	Very high	93.5	Very high	14 Å²	14	12.7 Å²	12.7	6%	0.061	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	82.4	-178.2	-174.7	-139.7	179.3	-169.1	0	111.1	E922 Q940 V941 A942 Q960 Q965 H1002	E922-K962 IonicContact OE2-NZ 2.77Å; E922-K962 PolarHBondContact OE2-NZ 2.87Å; Q940-K962 HydrophobicContact CG-CB 3.73Å; Q940-K962 HydrophobicContact CG-CG 4.49Å; V941-K962 PolarHBondContact O-N 3.24Å; A942-K962 HydrophobicContact CB-CB 4.1Å; A942-K962 HydrophobicContact CB-CD 3.76Å; Q960-K962 PolarHBondContact O-N 2.89Å; K962-Q965 VanDerWaalsContact CE-OE1 3.28Å; K962-H1002 PolarHBondContact O-NE2 3.28Å
963	V	95.5	Very high	92.9	Very high	28 Å²	28	12.7 Å²	12.7	17%	0.17	7%	0.072	C	C	.	.	S	Bend	trans	-67.1	-43.7	174.8	-173.2	0	0	0	0	110.6	Q543 V544 I961 V1029 K1030 L1031	Q543-V963 HydrophobicContact CB-CG1 3.71Å; V544-V963 HydrophobicContact CG2-CG1 4.04Å; V544-V963 HydrophobicContact CG2-CG2 4.03Å; I961-V963 HydrophobicContact CG2-CG2 4.19Å; I961-V963 PolarHBondContact O-N 3.16Å; V963-V1029 HydrophobicContact CG2-CG1 3.84Å; V963-K1030 PolarHBondContact N-O 3.24Å; V963-L1031 HydrophobicContact CB-CD2 4.43Å; V963-L1031 HydrophobicContact CG2-CD2 4.47Å
964	A	90.9	Very high	92.4	Very high	5 Å²	5	14.8 Å²	14.8	4%	0.041	8%	0.081	C	C	.	.			trans	-148.5	173.3	179.1	0	0	0	0	0	113.4	P969 K1030 V1032	A964-P969 HydrophobicContact CB-CB 4.19Å; A964-K1030 PolarHBondContact N-O 2.91Å; A964-V1032 HydrophobicContact CB-CB 4.22Å; A964-V1032 HydrophobicContact CB-CG2 3.53Å
965	Q	88.7	Confident	92.1	Very high	28 Å²	28	14.3 Å²	14.3	13%	0.131	8%	0.079	C	C	.	.			trans	-141.2	142.8	170.1	64.1	175.4	94.9	0	0	110.9	K962 A967 K968 P969	K962-Q965 VanDerWaalsContact CE-OE1 3.28Å; Q965-A967 VanDerWaalsContact C-N 3.3Å; Q965-A967 PolarHBondContact O-N 3.04Å; Q965-A967 VanDerWaalsContact O-N 3.15Å; Q965-K968 HydrophobicContact CG-CG 3.79Å; Q965-K968 CarbonylContact O-C 3.59Å; Q965-K968 VanDerWaalsContact O-C 3.25Å; Q965-K968 PolarHBondContact O-N 3.22Å; Q965-P969 WeakPolarHBondContact O-CD 3.49Å
966	G	88.6	Confident	91.7	Very high	3 Å²	3	13 Å²	13	3%	0.031	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-35.8	-170.3	0	0	0	0	0	116	K968 P969 G1056	G966-K968 VanDerWaalsContact C-N 3.28Å; G966-K968 PolarHBondContact O-N 3.13Å; G966-P969 WeakPolarHBondContact O-CD 3.34Å; G966-G1056 WeakPolarHBondContact CA-O 3.4Å
967	A	89.4	Confident	90.8	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-18.3	179.7	0	0	0	0	0	115.4	Q965 G1059 T1061 S1064 S1068 V1069	Q965-A967 VanDerWaalsContact C-N 3.3Å; Q965-A967 PolarHBondContact O-N 3.04Å; Q965-A967 VanDerWaalsContact O-N 3.15Å; A967-G1059 WeakPolarHBondContact CB-O 3.26Å; A967-T1061 HydrophobicContact CB-CG2 3.66Å; A967-S1064 PolarHBondContact O-OG 3.12Å; A967-S1068 CarbonylContact O-C 3.59Å; A967-S1068 VanDerWaalsContact O-C 3.24Å; A967-V1069 WeakPolarHBondContact O-CA 3.28Å; A967-V1069 PolarHBondContact O-N 3.22Å
968	K	92	Very high	90.1	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.009	8%	0.077	C	C	.	.	S	Bend	trans	-165.2	65.5	-176.7	50.6	169.9	179.1	-178.4	0	111.8	Q965 G966 E971 G972 Q974 A1063 S1064	Q965-K968 HydrophobicContact CG-CG 3.79Å; Q965-K968 CarbonylContact O-C 3.59Å; Q965-K968 VanDerWaalsContact O-C 3.25Å; Q965-K968 PolarHBondContact O-N 3.22Å; G966-K968 VanDerWaalsContact C-N 3.28Å; G966-K968 PolarHBondContact O-N 3.13Å; K968-E971 HydrophobicContact CB-CB 4.17Å; K968-E971 PolarHBondContact O-N 3.02Å; K968-G972 VanDerWaalsContact CE-O 3.3Å; K968-G972 WeakPolarHBondContact CE-O 3.14Å; K968-G972 PolarHBondContact NZ-O 3.41Å; K968-Q974 VanDerWaalsContact NZ-N 3.16Å; K968-A1063 WeakPolarHBondContact CE-O 3.32Å; K968-A1063 PolarHBondContact NZ-O 3.44Å; K968-S1064 WeakPolarHBondContact CB-OG 3.4Å
969	P	91.4	Very high	89.8	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	151.6	174.3	33	-37	0	0	0	110.6	F541 A964 Q965 G966 E971 V1032 A1072	F541-P969 HydrophobicContact CD1-CB 3.58Å; F541-P969 HydrophobicContact CD1-CG 3.43Å; F541-P969 VanDerWaalsContact CD1-CG 3.43Å; F541-P969 HydrophobicContact CD2-CB 3.6Å; F541-P969 HydrophobicContact CD2-CG 4.39Å; F541-P969 HydrophobicContact CE1-CB 3.6Å; F541-P969 HydrophobicContact CE1-CG 3.42Å; F541-P969 VanDerWaalsContact CE1-CG 3.42Å; F541-P969 HydrophobicContact CE2-CB 3.57Å; F541-P969 HydrophobicContact CE2-CG 4.34Å; F541-P969 HydrophobicContact CG-CB 3.6Å; F541-P969 HydrophobicContact CG-CG 3.96Å; F541-P969 HydrophobicContact CZ-CB 3.6Å; F541-P969 HydrophobicContact CZ-CG 3.91Å; A964-P969 HydrophobicContact CB-CB 4.19Å; Q965-P969 WeakPolarHBondContact O-CD 3.49Å; G966-P969 WeakPolarHBondContact O-CD 3.34Å; P969-E971 PolarHBondContact O-N 2.58Å; P969-V1032 HydrophobicContact CB-CB 4.19Å; P969-V1032 HydrophobicContact CB-CG1 4.12Å; P969-V1032 HydrophobicContact CB-CG2 4.18Å; P969-V1032 HydrophobicContact CG-CG1 4.26Å; P969-A1072 HydrophobicContact CG-CB 3.75Å
970	G	86.3	Confident	89.1	Confident	4 Å²	4	13.7 Å²	13.7	4%	0.041	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	14.3	-170.7	0	0	0	0	0	114.7
971	E	89.3	Confident	88.2	Confident	20 Å²	20	15.1 Å²	15.1	9%	0.093	9%	0.086	C	C	.	.	S	Bend	trans	-137.1	154.8	-177.9	-76.7	179.7	-121.1	0	0	113	K743 K747 K968 P969 S1068	K743-E971 HydrophobicContact CG-CG 4.25Å; K747-E971 WeakPolarHBondContact CE-OE1 3.44Å; K747-E971 HydrophobicContact CG-CG 4.4Å; K747-E971 IonicContact NZ-OE1 3.36Å; K747-E971 PolarHBondContact NZ-OE1 2.93Å; K968-E971 HydrophobicContact CB-CB 4.17Å; K968-E971 PolarHBondContact O-N 3.02Å; P969-E971 PolarHBondContact O-N 2.58Å; E971-S1068 VanDerWaalsContact OE1-CB 3.26Å; E971-S1068 WeakPolarHBondContact OE1-CB 3.36Å; E971-S1068 PolarHBondContact OE1-OG 2.78Å
972	G	78.8	Confident	87.2	Confident	6 Å²	6	16.9 Å²	16.9	6%	0.062	10%	0.097	C	C	.	.			trans	-75.4	161.7	-179.4	0	0	0	0	0	115.6	K968 S998	K968-G972 VanDerWaalsContact CE-O 3.3Å; K968-G972 WeakPolarHBondContact CE-O 3.14Å; K968-G972 PolarHBondContact NZ-O 3.41Å; G972-S998 WeakPolarHBondContact CA-O 3.1Å
973	G	85.2	Confident	86.7	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.108	C	C	.	.			trans	-52.6	145.8	162.3	0	0	0	0	0	112	E922 S998	E922-G973 WeakPolarHBondContact OE1-CA 3.28Å; E922-G973 WeakPolarHBondContact OE2-CA 3.27Å; G973-S998 PolarHBondContact O-N 3.18Å; G973-S998 PolarHBondContact O-OG 3.21Å
974	Q	87.6	Confident	86.4	Confident	43 Å²	43	18.3 Å²	18.3	20%	0.201	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	124	179.8	-73.1	-176	0.5	0	0	109.5	K968 L996 I997 A1063	K968-Q974 VanDerWaalsContact NZ-N 3.16Å; Q974-L996 CarbonylContact C-O 3.56Å; Q974-L996 WeakPolarHBondContact CA-O 3.37Å; Q974-I997 HydrophobicContact CG-CG1 4.48Å; Q974-I997 HydrophobicContact CG-CG2 4.41Å; Q974-A1063 HydrophobicContact CB-CB 4.23Å
975	L	91.3	Very high	85.9	Confident	4 Å²	4	18.2 Å²	18.2	2%	0.021	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	112	170.8	-174.2	64.2	0	0	0	109.5	K979 V980 I984 L996	L975-K979 HydrophobicContact CD1-CB 3.66Å; L975-K979 HydrophobicContact CD1-CD 4.12Å; L975-K979 HydrophobicContact CD1-CG 4.43Å; L975-K979 HydrophobicContact CG-CB 4.08Å; L975-V980 HydrophobicContact CD2-CG2 3.84Å; L975-V980 HydrophobicContact CG-CG2 4.01Å; L975-I984 HydrophobicContact CD2-CG2 3.81Å; L975-L996 HydrophobicContact CB-CB 4.4Å; L975-L996 PolarHBondContact N-O 2.8Å; L975-L996 PolarHBondContact O-N 2.87Å
976	P	87.7	Confident	85.7	Confident	27 Å²	27	24.1 Å²	24.1	18%	0.175	12%	0.124	C	C	.	.			trans	-52.5	139.7	174	-30.9	38.8	0	0	0	113.1	D978 K979 A1063	P976-D978 VanDerWaalsContact C-N 3.28Å; P976-D978 WeakPolarHBondContact CB-OD1 3.02Å; P976-D978 PolarHBondContact O-N 3.1Å; P976-K979 WeakPolarHBondContact O-CA 3.33Å; P976-K979 WeakPolarHBondContact O-CB 3.27Å; P976-K979 PolarHBondContact O-N 3.3Å; P976-A1063 HydrophobicContact CG-CB 4.46Å
977	G	77.7	Confident	85.7	Confident	5 Å²	5	24.8 Å²	24.8	5%	0.052	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-62.2	-28.8	-171.4	0	0	0	0	0	115	K979 V980 G993 T995	G977-K979 PolarHBondContact O-N 2.73Å; G977-V980 WeakPolarHBondContact O-CB 3.39Å; G977-V980 PolarHBondContact O-N 2.73Å; G977-G993 CarbonylContact C-O 3.57Å; G977-G993 WeakPolarHBondContact CA-O 3.5Å; G977-G993 CarbonylContact O-C 3.56Å; G977-G993 VanDerWaalsContact O-CA 3.32Å; G977-G993 WeakPolarHBondContact O-CA 3.41Å; G977-T995 PolarHBondContact N-OG1 3.33Å
978	D	83.3	Confident	85.8	Confident	89 Å²	89	24.8 Å²	24.8	48%	0.476	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-67.1	-17.5	172.7	69.7	-44.6	0	0	0	113.3	P976 N1142	P976-D978 VanDerWaalsContact C-N 3.28Å; P976-D978 WeakPolarHBondContact CB-OD1 3.02Å; P976-D978 PolarHBondContact O-N 3.1Å; D978-N1142 PolarHBondContact O-ND2 3.04Å; D978-N1142 VanDerWaalsContact O-ND2 3.11Å; D978-N1142 WeakPolarHBondContact OD2-CB 3.41Å; D978-N1142 PolarHBondContact OD2-ND2 3.23Å
979	K	91.1	Very high	85.7	Confident	3 Å²	3	29 Å²	29	1%	0.013	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-91.3	-6	169.4	-54.8	-169	65.7	173	0	113	G897 A898 L975 P976 G977 T981 C1139 N1142 A1149 Q1151	G897-K979 WeakPolarHBondContact O-CE 3.42Å; A898-K979 PolarHBondContact O-NZ 3.49Å; L975-K979 HydrophobicContact CD1-CB 3.66Å; L975-K979 HydrophobicContact CD1-CD 4.12Å; L975-K979 HydrophobicContact CD1-CG 4.43Å; L975-K979 HydrophobicContact CG-CB 4.08Å; P976-K979 WeakPolarHBondContact O-CA 3.33Å; P976-K979 WeakPolarHBondContact O-CB 3.27Å; P976-K979 PolarHBondContact O-N 3.3Å; G977-K979 PolarHBondContact O-N 2.73Å; K979-T981 VanDerWaalsContact C-N 3.27Å; K979-T981 PolarHBondContact O-N 2.96Å; K979-T981 VanDerWaalsContact O-N 3.16Å; K979-C1139 PolarHBondContact NZ-O 3.25Å; K979-N1142 HydrophobicContact CD-CB 4.13Å; K979-N1142 HydrophobicContact CG-CB 3.76Å; K979-A1149 PolarHBondContact NZ-O 3.29Å; K979-Q1151 HydrophobicContact CB-CG 4.16Å; K979-Q1151 WeakPolarHBondContact O-CG 3.31Å
980	V	82.4	Confident	85.4	Confident	3 Å²	3	29.7 Å²	29.7	2%	0.018	15%	0.148	C	C	.	.			trans	-91.8	65.4	177.6	-172	0	0	0	0	108.8	L975 G977 A985 G993 V994 L996	L975-V980 HydrophobicContact CD2-CG2 3.84Å; L975-V980 HydrophobicContact CG-CG2 4.01Å; G977-V980 WeakPolarHBondContact O-CB 3.39Å; G977-V980 PolarHBondContact O-N 2.73Å; V980-A985 HydrophobicContact CG1-CB 4.1Å; V980-G993 PolarHBondContact O-N 3.29Å; V980-V994 WeakPolarHBondContact CG2-O 3.32Å; V980-L996 HydrophobicContact CG1-CD1 4.25Å; V980-L996 HydrophobicContact CG2-CD1 4.06Å; V980-L996 HydrophobicContact CG2-CG 4.03Å
981	T	81	Confident	85	Confident	34 Å²	34	30.7 Å²	30.7	21%	0.209	15%	0.153	C	C	.	.			trans	-63.7	162.1	173.8	65.9	0	0	0	0	110.5	K979 Y983 I984 A985 Q1151	K979-T981 VanDerWaalsContact C-N 3.27Å; K979-T981 PolarHBondContact O-N 2.96Å; K979-T981 VanDerWaalsContact O-N 3.16Å; T981-Y983 PolarHBondContact O-N 3.39Å; T981-I984 PolarHBondContact O-N 3.39Å; T981-A985 WeakPolarHBondContact O-CB 3.28Å; T981-A985 PolarHBondContact O-N 3.19Å; T981-Q1151 HydrophobicContact CG2-CB 3.64Å; T981-Q1151 HydrophobicContact CG2-CG 4.48Å
982	P	77	Confident	84.3	Confident	36 Å²	36	31.2 Å²	31.2	23%	0.234	16%	0.158	C	C	.	.	H	α-helix	trans	-54.2	-30.8	178.6	-27.9	35.7	0	0	0	114.3	K986 P992 K1526	P982-K986 WeakPolarHBondContact O-CB 3.44Å; P982-K986 PolarHBondContact O-N 3.08Å; P982-P992 HydrophobicContact CG-CB 4.38Å; P982-K1526 HydrophobicContact CB-CD 3.68Å; P982-K1526 HydrophobicContact CG-CD 3.94Å
983	Y	85.8	Confident	84.2	Confident	73 Å²	73	33.4 Å²	33.4	29%	0.286	18%	0.181	S	C	.	.	H	α-helix	trans	-65.8	-50.3	173	176.4	-107.6	0	0	0	112.4	I896 P901 D926 T981 A985 K986 L987	I896-Y983 HydrophobicContact CD1-CE1 4.13Å; P901-Y983 HydrophobicContact CG-CD1 4.41Å; P901-Y983 HydrophobicContact CG-CE1 3.9Å; D926-Y983 WeakPolarHBondContact OD2-CE2 3.42Å; D926-Y983 PolarHBondContact OD2-OH 2.84Å; D926-Y983 VanDerWaalsContact OD2-OH 3.13Å; T981-Y983 PolarHBondContact O-N 3.39Å; Y983-A985 VanDerWaalsContact C-N 3.34Å; Y983-A985 PolarHBondContact O-N 3.06Å; Y983-K986 PolarHBondContact O-N 3.14Å; Y983-L987 HydrophobicContact CD1-CD1 4.35Å; Y983-L987 HydrophobicContact CE1-CD1 3.72Å; Y983-L987 HydrophobicContact CE2-CD1 4.36Å; Y983-L987 PolarHBondContact O-N 2.87Å; Y983-L987 VanDerWaalsContact O-N 3.14Å
984	I	88.5	Confident	83.9	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.9	-39.3	177.9	-60.8	-57.4	0	0	0	111.2	I896 L975 T981 K986 L987 R988 Q1151	I896-I984 HydrophobicContact CG1-CD1 4.16Å; L975-I984 HydrophobicContact CD2-CG2 3.81Å; T981-I984 PolarHBondContact O-N 3.39Å; I984-K986 PolarHBondContact O-N 3.28Å; I984-L987 PolarHBondContact O-N 2.77Å; I984-R988 HydrophobicContact CG2-CG 4.28Å; I984-R988 WeakPolarHBondContact O-CB 3.26Å; I984-R988 VanDerWaalsContact O-CG 3.32Å; I984-R988 WeakPolarHBondContact O-CG 3.44Å; I984-R988 PolarHBondContact O-N 3.2Å; I984-Q1151 HydrophobicContact CG1-CG 4.26Å
985	A	80.7	Confident	83.6	Confident	2 Å²	2	36.6 Å²	36.6	2%	0.017	20%	0.203	C	C	.	.	H	α-helix	trans	-57.6	-46.8	175.5	0	0	0	0	0	111.6	V980 T981 Y983 R988 Y989 S990 P992	V980-A985 HydrophobicContact CG1-CB 4.1Å; T981-A985 WeakPolarHBondContact O-CB 3.28Å; T981-A985 PolarHBondContact O-N 3.19Å; Y983-A985 VanDerWaalsContact C-N 3.34Å; Y983-A985 PolarHBondContact O-N 3.06Å; A985-R988 CarbonylContact O-C 3.39Å; A985-R988 PolarHBondContact O-N 2.67Å; A985-Y989 PolarHBondContact O-N 2.77Å; A985-S990 WeakPolarHBondContact CB-O 3.31Å; A985-S990 PolarHBondContact O-N 3.21Å; A985-P992 HydrophobicContact CB-CB 4.18Å; A985-P992 HydrophobicContact CB-CG 3.75Å
986	K	84.7	Confident	83.3	Confident	153 Å²	153	36.9 Å²	36.9	67%	0.665	21%	0.205	S	C	*	.	H	α-helix	trans	-58.4	-49.4	174.2	-177.2	-178	178.9	-177.3	0	112.5	P982 Y983 I984 R988 Y989	P982-K986 WeakPolarHBondContact O-CB 3.44Å; P982-K986 PolarHBondContact O-N 3.08Å; Y983-K986 PolarHBondContact O-N 3.14Å; I984-K986 PolarHBondContact O-N 3.28Å; K986-R988 PolarHBondContact O-N 3.17Å; K986-Y989 PolarHBondContact O-N 2.77Å
987	L	89.7	Confident	83.4	Confident	16 Å²	16	37.8 Å²	37.8	8%	0.084	21%	0.208	C	C	.	.	H	α-helix	trans	-61.8	-33.3	179.4	-67.5	-178.1	0	0	0	113	I896 D926 G947 Y983 I984	I896-L987 HydrophobicContact CD1-CD1 3.92Å; I896-L987 HydrophobicContact CG1-CD1 4.38Å; I896-L987 HydrophobicContact CG2-CD1 3.98Å; D926-L987 HydrophobicContact CB-CD2 3.83Å; G947-L987 VanDerWaalsContact CA-O 3.29Å; G947-L987 WeakPolarHBondContact CA-O 3.37Å; Y983-L987 HydrophobicContact CD1-CD1 4.35Å; Y983-L987 HydrophobicContact CE1-CD1 3.72Å; Y983-L987 HydrophobicContact CE2-CD1 4.36Å; Y983-L987 PolarHBondContact O-N 2.87Å; Y983-L987 VanDerWaalsContact O-N 3.14Å; I984-L987 PolarHBondContact O-N 2.77Å
988	R	91	Very high	84	Confident	1 Å²	1	37.6 Å²	37.6	0%	0.004	21%	0.206	C	C	.	.	H	α-helix	trans	-92.7	-2.6	-177.9	-62.7	-168.9	177.7	-140.5	-0.1	113.9	S895 I896 F946 I984 A985 K986 S990 L996	S895-R988 PolarHBondContact OG-NH2 3.29Å; I896-R988 PolarHBondContact O-NH2 3.25Å; F946-R988 HydrophobicContact CB-CB 3.92Å; F946-R988 HydrophobicContact CB-CG 3.86Å; F946-R988 HydrophobicContact CD1-CB 3.89Å; F946-R988 HydrophobicContact CD1-CG 4.46Å; F946-R988 HydrophobicContact CG-CB 4.07Å; F946-R988 HydrophobicContact CG-CG 4.17Å; I984-R988 HydrophobicContact CG2-CG 4.28Å; I984-R988 WeakPolarHBondContact O-CB 3.26Å; I984-R988 VanDerWaalsContact O-CG 3.32Å; I984-R988 WeakPolarHBondContact O-CG 3.44Å; I984-R988 PolarHBondContact O-N 3.2Å; A985-R988 CarbonylContact O-C 3.39Å; A985-R988 PolarHBondContact O-N 2.67Å; K986-R988 PolarHBondContact O-N 3.17Å; R988-S990 VanDerWaalsContact C-N 3.25Å; R988-S990 PolarHBondContact O-N 2.89Å; R988-L996 HydrophobicContact CB-CD1 4.38Å; R988-L996 VanDerWaalsContact CD-CD1 3.43Å
989	Y	89.6	Confident	84.5	Confident	91 Å²	91	33.4 Å²	33.4	36%	0.357	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	45.1	-170.6	-61.8	-98.6	0	0	0	112	T949 A985 K986 T1365 S1384 T1402	T949-Y989 HydrophobicContact CG2-CE2 4.14Å; A985-Y989 PolarHBondContact O-N 2.77Å; K986-Y989 PolarHBondContact O-N 2.77Å; Y989-T1365 HydrophobicContact CD1-CG2 4.13Å; Y989-T1365 HydrophobicContact CD2-CG2 3.55Å; Y989-T1365 HydrophobicContact CE1-CG2 4.32Å; Y989-T1365 HydrophobicContact CE2-CG2 3.77Å; Y989-T1365 HydrophobicContact CG-CG2 3.75Å; Y989-S1384 VanDerWaalsContact CB-OG 3.22Å; Y989-S1384 WeakPolarHBondContact CB-OG 3.21Å; Y989-S1384 PolarHBondContact O-OG 3.25Å; Y989-T1402 PolarHBondContact O-OG1 3.27Å
990	S	84.2	Confident	84.5	Confident	13 Å²	13	33.9 Å²	33.9	9%	0.091	19%	0.186	C	C	.	.			trans	-125	173.7	-176.3	76.4	0	0	0	0	112.5	A985 R988	A985-S990 WeakPolarHBondContact CB-O 3.31Å; A985-S990 PolarHBondContact O-N 3.21Å; R988-S990 VanDerWaalsContact C-N 3.25Å; R988-S990 PolarHBondContact O-N 2.89Å
991	V	77.8	Confident	85.1	Confident	25 Å²	25	33.9 Å²	33.9	15%	0.152	19%	0.187	C	C	.	.			trans	-82.9	134.8	179.1	-175.6	0	0	0	0	111	V994 T1421	V991-V994 HydrophobicContact CB-CB 4.46Å; V991-V994 HydrophobicContact CB-CG2 3.87Å; V991-V994 HydrophobicContact CG1-CG2 3.83Å; V991-T1421 WeakPolarHBondContact CG2-O 3.23Å
992	P	75.7	Confident	85.8	Confident	31 Å²	31	32.8 Å²	32.8	20%	0.201	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	144.2	174.7	-22.4	32.6	0	0	0	113.4	P982 A985 V994	P982-P992 HydrophobicContact CG-CB 4.38Å; A985-P992 HydrophobicContact CB-CB 4.18Å; A985-P992 HydrophobicContact CB-CG 3.75Å; P992-V994 PolarHBondContact O-N 3.46Å
993	G	75.4	Confident	86.7	Confident	53 Å²	53	31 Å²	31	55%	0.546	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	-9.6	176.7	0	0	0	0	0	115.8	G977 V980	G977-G993 CarbonylContact C-O 3.57Å; G977-G993 WeakPolarHBondContact CA-O 3.5Å; G977-G993 CarbonylContact O-C 3.56Å; G977-G993 VanDerWaalsContact O-CA 3.32Å; G977-G993 WeakPolarHBondContact O-CA 3.41Å; V980-G993 PolarHBondContact O-N 3.29Å
994	V	78.7	Confident	87.2	Confident	29 Å²	29	27.6 Å²	27.6	18%	0.176	15%	0.154	C	C	.	.			trans	-86.8	129.7	-178.3	179.1	0	0	0	0	110.7	V980 V991 P992 L996 T1421	V980-V994 WeakPolarHBondContact CG2-O 3.32Å; V991-V994 HydrophobicContact CB-CB 4.46Å; V991-V994 HydrophobicContact CB-CG2 3.87Å; V991-V994 HydrophobicContact CG1-CG2 3.83Å; P992-V994 PolarHBondContact O-N 3.46Å; V994-L996 PolarHBondContact O-N 2.78Å; V994-T1421 HydrophobicContact CG1-CG2 3.83Å
995	T	82.5	Confident	87.5	Confident	81 Å²	81	28 Å²	28	50%	0.497	16%	0.156	S	C	.	.			trans	-63.4	123.1	175.1	-63.6	0	0	0	0	111	G977 I997	G977-T995 PolarHBondContact N-OG1 3.33Å; T995-I997 HydrophobicContact CG2-CG1 4.17Å
996	L	85.8	Confident	88.1	Confident	9 Å²	9	28.4 Å²	28.4	5%	0.047	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	102.2	178.4	-59.4	176.2	0	0	0	110	F946 Q974 L975 V980 R988 V994	F946-L996 HydrophobicContact CE1-CD1 4.26Å; F946-L996 HydrophobicContact CE1-CD2 4.39Å; F946-L996 HydrophobicContact CZ-CB 4.09Å; F946-L996 HydrophobicContact CZ-CD1 4.2Å; F946-L996 HydrophobicContact CZ-CD2 4.41Å; F946-L996 HydrophobicContact CZ-CG 4.46Å; Q974-L996 CarbonylContact C-O 3.56Å; Q974-L996 WeakPolarHBondContact CA-O 3.37Å; L975-L996 HydrophobicContact CB-CB 4.4Å; L975-L996 PolarHBondContact N-O 2.8Å; L975-L996 PolarHBondContact O-N 2.87Å; V980-L996 HydrophobicContact CG1-CD1 4.25Å; V980-L996 HydrophobicContact CG2-CD1 4.06Å; V980-L996 HydrophobicContact CG2-CG 4.03Å; R988-L996 HydrophobicContact CB-CD1 4.38Å; R988-L996 VanDerWaalsContact CD-CD1 3.43Å; V994-L996 PolarHBondContact O-N 2.78Å
997	I	88.4	Confident	88.3	Confident	47 Å²	47	21.1 Å²	21.1	24%	0.241	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	121	162.6	-54.4	179	0	0	0	105.9	L552 Q974 T995 Y1400	L552-I997 HydrophobicContact CD1-CD1 3.97Å; Q974-I997 HydrophobicContact CG-CG1 4.48Å; Q974-I997 HydrophobicContact CG-CG2 4.41Å; T995-I997 HydrophobicContact CG2-CG1 4.17Å; I997-Y1400 VanDerWaalsContact O-CE1 3.27Å; I997-Y1400 WeakPolarHBondContact O-CE1 3.47Å
998	S	90.6	Very high	88.3	Confident	1 Å²	1	20.4 Å²	20.4	1%	0.007	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-76.3	154.8	173.5	-46	0	0	0	0	109.5	S943 F946 G972 G973	S943-S998 WeakPolarHBondContact OG-CB 3.19Å; F946-S998 WeakPolarHBondContact CE2-OG 3.19Å; G972-S998 WeakPolarHBondContact CA-O 3.1Å; G973-S998 PolarHBondContact O-N 3.18Å; G973-S998 PolarHBondContact O-OG 3.21Å
999	P	93.2	Very high	88.2	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-55.4	142.8	166.7	-17.1	27.7	0	0	0	110.3	S943 H1003 R1382 Y1400	S943-P999 WeakPolarHBondContact CB-O 3.43Å; S943-P999 PolarHBondContact OG-O 3.5Å; P999-H1003 WeakPolarHBondContact CB-NE2 3.4Å; P999-R1382 HydrophobicContact CG-CG 4.49Å; P999-Y1400 HydrophobicContact CB-CD2 4.46Å; P999-Y1400 HydrophobicContact CB-CE2 4.11Å; P999-Y1400 HydrophobicContact CG-CD1 4.43Å; P999-Y1400 HydrophobicContact CG-CD2 3.72Å; P999-Y1400 HydrophobicContact CG-CE1 4.45Å; P999-Y1400 HydrophobicContact CG-CE2 3.8Å; P999-Y1400 HydrophobicContact CG-CG 4.07Å
1000	P	92	Very high	88.4	Confident	13 Å²	13	16.6 Å²	16.6	8%	0.084	11%	0.108	C	C	.	.	S	Bend	trans	-58.3	-48.3	167.6	-26.2	34.7	0	0	0	113	P548 D550	P548-P1000 HydrophobicContact CB-CB 3.95Å; P548-P1000 HydrophobicContact CG-CB 3.77Å; D550-P1000 WeakPolarHBondContact OD2-CD 3.25Å
1001	P	94.6	Very high	88.9	Confident	4 Å²	4	16 Å²	16	3%	0.026	10%	0.103	C	C	.	.	S	Bend	trans	-83.3	157.5	178.1	34.4	-35.7	0	0	0	112	P547 P548 S943 Y1006	P547-P1001 HydrophobicContact CB-CB 3.83Å; P548-P1001 HydrophobicContact CG-CB 4.12Å; P548-P1001 WeakPolarHBondContact O-CB 3.4Å; P548-P1001 WeakPolarHBondContact O-CG 3.36Å; S943-P1001 WeakPolarHBondContact CB-O 2.91Å; P1001-Y1006 HydrophobicContact CB-CE1 4.24Å
1002	H	96.4	Very high	89.7	Confident	10 Å²	10	15.1 Å²	15.1	5%	0.046	10%	0.099	C	C	.	.			trans	-74.9	117.9	149.8	-86.8	-135.2	0	0	0	107.5	V941 A942 S943 R945 K962 D1004 I1005	V941-H1002 PolarHBondContact O-CE1 3.18Å; V941-H1002 VanDerWaalsContact O-CE1 3.32Å; A942-H1002 VanDerWaalsContact C-NE2 3.32Å; A942-H1002 WeakPolarHBondContact CA-NE2 3.48Å; S943-H1002 PolarHBondContact N-CD2 3.33Å; S943-H1002 PolarHBondContact N-NE2 3.15Å; S943-H1002 VanDerWaalsContact N-NE2 3.12Å; R945-H1002 PolarHBondContact NH1-CE1 3.2Å; R945-H1002 PolarHBondContact NH1-ND1 3.46Å; R945-H1002 VanDerWaalsContact NH1-ND1 3.13Å; R945-H1002 PolarHBondContact NH2-ND1 3.19Å; K962-H1002 PolarHBondContact O-NE2 3.28Å; H1002-D1004 WeakPolarHBondContact CB-OD1 3.37Å; H1002-D1004 IonicContact CG-OD1 3.29Å; H1002-D1004 IonicContact ND1-OD1 3.58Å; H1002-D1004 PolarHBondContact O-N 3.05Å; H1002-I1005 HydrophobicContact CB-CB 3.77Å; H1002-I1005 HydrophobicContact CB-CD1 3.67Å; H1002-I1005 HydrophobicContact CB-CG1 3.66Å; H1002-I1005 WeakPolarHBondContact ND1-CD1 3.32Å; H1002-I1005 CarbonylContact O-C 3.55Å; H1002-I1005 PolarHBondContact O-N 2.93Å
1003	H	95.8	Very high	90.6	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-5.4	179.9	-66.4	-73.3	0	0	0	113.8	P999 Y1006 T1359 Y1362 R1378 V1381 E1399	P999-H1003 WeakPolarHBondContact CB-NE2 3.4Å; H1003-Y1006 AromaticContact ND1-CZ 3.95Å; H1003-Y1006 PolarHBondContact ND1-OH 2.83Å; H1003-T1359 HydrophobicContact CB-CG2 3.87Å; H1003-T1359 WeakPolarHBondContact O-CG2 3.41Å; H1003-T1359 PolarHBondContact O-OG1 3.09Å; H1003-Y1362 HydrophobicContact CB-CE1 4.37Å; H1003-R1378 WeakPolarHBondContact ND1-CD 3.4Å; H1003-V1381 HydrophobicContact CB-CG1 4.41Å; H1003-E1399 IonicContact CE1-OE2 2.78Å
1004	D	96	Very high	91.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	15.4	170.4	71.3	-28.8	0	0	0	113.3	R945 H1002 D1010 Y1328 K1331 Y1362	R945-D1004 IonicContact CZ-OD1 2.58Å; R945-D1004 IonicContact CZ-OD2 2.68Å; R945-D1004 IonicContact NH2-OD1 2.61Å; R945-D1004 PolarHBondContact NH2-OD1 3.12Å; R945-D1004 IonicContact NH2-OD2 2.66Å; R945-D1004 PolarHBondContact NH2-OD2 2.7Å; H1002-D1004 WeakPolarHBondContact CB-OD1 3.37Å; H1002-D1004 IonicContact CG-OD1 3.29Å; H1002-D1004 IonicContact ND1-OD1 3.58Å; H1002-D1004 PolarHBondContact O-N 3.05Å; D1004-D1010 WeakPolarHBondContact O-CB 3.32Å; D1004-Y1328 HydrophobicContact CB-CD1 4.05Å; D1004-Y1328 HydrophobicContact CB-CE1 3.79Å; D1004-K1331 WeakPolarHBondContact OD2-CE 3.35Å; D1004-K1331 IonicContact OD2-NZ 3.79Å; D1004-K1331 PolarHBondContact OD2-NZ 2.98Å; D1004-Y1362 HydrophobicContact CB-CD1 3.97Å; D1004-Y1362 HydrophobicContact CB-CE1 4.03Å; D1004-Y1362 WeakPolarHBondContact OD1-CE1 3.47Å
1005	I	95	Very high	92.6	Very high	8 Å²	8	10.1 Å²	10.1	4%	0.041	6%	0.057	C	C	.	.			trans	-138.9	85.4	171.6	-49.1	171.8	0	0	0	108.8	I961 H1002 L1011 L1014	I961-I1005 HydrophobicContact CG2-CD1 3.84Å; H1002-I1005 HydrophobicContact CB-CB 3.77Å; H1002-I1005 HydrophobicContact CB-CD1 3.67Å; H1002-I1005 HydrophobicContact CB-CG1 3.66Å; H1002-I1005 WeakPolarHBondContact ND1-CD1 3.32Å; H1002-I1005 CarbonylContact O-C 3.55Å; H1002-I1005 PolarHBondContact O-N 2.93Å; I1005-L1011 HydrophobicContact CD1-CD1 3.92Å; I1005-L1011 HydrophobicContact CG2-CB 3.87Å; I1005-L1014 HydrophobicContact CD1-CD2 3.83Å; I1005-L1014 HydrophobicContact CG1-CD2 4.21Å
1006	Y	92.5	Very high	93.3	Very high	12 Å²	12	6.5 Å²	6.5	5%	0.047	4%	0.035	C	C	.	.	S	Bend	trans	-103.9	-0.9	173.4	-66.3	-20	0	0	0	112.7	L387 P547 P1001 H1003 D1010 R1378	L387-Y1006 HydrophobicContact CB-CD2 4.24Å; L387-Y1006 HydrophobicContact CD2-CD1 4.43Å; L387-Y1006 HydrophobicContact CD2-CD2 4.1Å; L387-Y1006 HydrophobicContact CD2-CE1 4.13Å; L387-Y1006 HydrophobicContact CD2-CE2 3.78Å; L387-Y1006 HydrophobicContact CD2-CG 4.37Å; L387-Y1006 WeakPolarHBondContact O-CB 3.47Å; L387-Y1006 WeakPolarHBondContact O-CD2 3.46Å; P547-Y1006 HydrophobicContact CB-CD1 3.57Å; P547-Y1006 HydrophobicContact CB-CE1 4.04Å; P547-Y1006 HydrophobicContact CB-CG 4.49Å; P547-Y1006 HydrophobicContact CG-CD1 3.58Å; P547-Y1006 HydrophobicContact CG-CE1 4.16Å; P547-Y1006 HydrophobicContact CG-CG 4.09Å; P1001-Y1006 HydrophobicContact CB-CE1 4.24Å; H1003-Y1006 AromaticContact ND1-CZ 3.95Å; H1003-Y1006 PolarHBondContact ND1-OH 2.83Å; Y1006-D1010 WeakPolarHBondContact CA-OD2 3.25Å; Y1006-D1010 WeakPolarHBondContact CB-OD2 3.28Å; Y1006-D1010 PolarHBondContact N-OD2 3.27Å; Y1006-D1010 VanDerWaalsContact N-OD2 3.11Å; Y1006-R1378 WeakPolarHBondContact OH-CD 3.48Å; Y1006-R1378 PolarHBondContact OH-NE 2.83Å; Y1006-R1378 VanDerWaalsContact OH-NE 3.16Å
1007	S	89.7	Confident	93.9	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.032	C	C	.	.	S	Bend	trans	-165.3	174.8	-177.9	61	0	0	0	0	110.8	R388 V544 E1009 D1010 L1011	R388-S1007 PolarHBondContact NH1-OG 2.61Å; R388-S1007 PolarHBondContact NH2-OG 3.44Å; V544-S1007 CarbonylContact O-C 3.39Å; V544-S1007 VanDerWaalsContact O-CA 3.31Å; V544-S1007 WeakPolarHBondContact O-CA 3.46Å; S1007-E1009 VanDerWaalsContact CB-CD 3.49Å; S1007-E1009 WeakPolarHBondContact CB-OE2 3.49Å; S1007-E1009 WeakPolarHBondContact OG-CG 3.3Å; S1007-E1009 PolarHBondContact OG-OE1 3.31Å; S1007-E1009 PolarHBondContact OG-OE2 2.83Å; S1007-D1010 PolarHBondContact N-OD2 2.99Å; S1007-D1010 VanDerWaalsContact N-OD2 3.1Å; S1007-D1010 PolarHBondContact O-N 2.48Å; S1007-D1010 PolarHBondContact OG-N 3.41Å; S1007-D1010 PolarHBondContact OG-OD1 3.22Å; S1007-D1010 PolarHBondContact OG-OD2 3.47Å; S1007-L1011 PolarHBondContact O-N 2.68Å
1008	I	89.9	Confident	94.4	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-67.4	-34.7	177.7	-173.4	63.1	0	0	0	112.8	N42 F249 V544 D1010 L1011 A1012 G1043 V1044 A1047	N42-I1008 HydrophobicContact CB-CG2 4.19Å; F249-I1008 HydrophobicContact CB-CG2 4.12Å; F249-I1008 HydrophobicContact CD1-CB 4.47Å; F249-I1008 HydrophobicContact CD1-CG1 4.05Å; F249-I1008 HydrophobicContact CD1-CG2 3.5Å; F249-I1008 HydrophobicContact CD2-CG2 4.3Å; F249-I1008 HydrophobicContact CE1-CB 4.43Å; F249-I1008 HydrophobicContact CE1-CG1 3.55Å; F249-I1008 HydrophobicContact CE1-CG2 3.91Å; F249-I1008 HydrophobicContact CG-CG2 3.74Å; F249-I1008 HydrophobicContact CZ-CG1 3.87Å; F249-I1008 HydrophobicContact CZ-CG2 4.47Å; V544-I1008 HydrophobicContact CG1-CB 4.22Å; V544-I1008 HydrophobicContact CG1-CD1 3.37Å; V544-I1008 HydrophobicContact CG1-CG1 4.38Å; I1008-D1010 VanDerWaalsContact C-N 3.3Å; I1008-D1010 PolarHBondContact O-N 3.21Å; I1008-L1011 HydrophobicContact CD1-CD2 4.02Å; I1008-L1011 PolarHBondContact O-N 3.37Å; I1008-A1012 PolarHBondContact O-N 2.7Å; I1008-G1043 VanDerWaalsContact CD1-C 3.45Å; I1008-V1044 HydrophobicContact CD1-CG2 4.43Å; I1008-A1047 HydrophobicContact CD1-CB 3.99Å; I1008-A1047 HydrophobicContact CG1-CB 4.42Å
1009	E	89	Confident	94.7	Very high	8 Å²	8	5 Å²	5	4%	0.037	3%	0.026	C	C	.	.	H	α-helix	trans	-66.8	-31.7	175.8	62.3	-86.2	-158.6	0	0	112.4	N42 C43 R73 F249 N269 R388 S1007 A1012 Q1013	N42-E1009 WeakPolarHBondContact CB-OE2 3.44Å; C43-E1009 PolarHBondContact N-OE1 2.79Å; C43-E1009 VanDerWaalsContact N-OE1 3.07Å; C43-E1009 PolarHBondContact N-OE2 3.18Å; C43-E1009 VanDerWaalsContact O-OE1 3.09Å; R73-E1009 HydrophobicContact CB-CB 4.31Å; R73-E1009 HydrophobicContact CB-CG 4.45Å; R73-E1009 IonicContact NH1-OE1 2.72Å; F249-E1009 HydrophobicContact CD2-CB 4.42Å; N269-E1009 PolarHBondContact ND2-OE1 2.87Å; R388-E1009 IonicContact CZ-OE1 3.18Å; R388-E1009 IonicContact NE-OE1 2.73Å; R388-E1009 IonicContact NH2-OE1 2.76Å; R388-E1009 PolarHBondContact NH2-OE1 3.05Å; S1007-E1009 VanDerWaalsContact CB-CD 3.49Å; S1007-E1009 WeakPolarHBondContact CB-OE2 3.49Å; S1007-E1009 WeakPolarHBondContact OG-CG 3.3Å; S1007-E1009 PolarHBondContact OG-OE1 3.31Å; S1007-E1009 PolarHBondContact OG-OE2 2.83Å; E1009-A1012 WeakPolarHBondContact O-CB 3.25Å; E1009-A1012 PolarHBondContact O-N 3.42Å; E1009-Q1013 PolarHBondContact O-N 3.09Å
1010	D	92.7	Very high	94.9	Very high	4 Å²	4	6 Å²	6	2%	0.021	3%	0.03	C	C	.	.	H	α-helix	trans	-73.9	-36	175.4	-50.9	-31.2	0	0	0	110.9	R73 R388 D1004 Y1006 S1007 I1008 Q1013 L1014	R73-D1010 IonicContact NH2-OD1 3Å; R388-D1010 IonicContact CZ-OD1 3.82Å; R388-D1010 IonicContact CZ-OD2 3.93Å; R388-D1010 IonicContact NH1-OD1 2.93Å; R388-D1010 IonicContact NH1-OD2 2.75Å; R388-D1010 PolarHBondContact NH1-OD2 2.83Å; R388-D1010 IonicContact NH2-OD1 3.2Å; R388-D1010 PolarHBondContact NH2-OD1 3.25Å; R388-D1010 IonicContact NH2-OD2 3.34Å; D1004-D1010 WeakPolarHBondContact O-CB 3.32Å; Y1006-D1010 WeakPolarHBondContact CA-OD2 3.25Å; Y1006-D1010 WeakPolarHBondContact CB-OD2 3.28Å; Y1006-D1010 PolarHBondContact N-OD2 3.27Å; Y1006-D1010 VanDerWaalsContact N-OD2 3.11Å; S1007-D1010 PolarHBondContact N-OD2 2.99Å; S1007-D1010 VanDerWaalsContact N-OD2 3.1Å; S1007-D1010 PolarHBondContact O-N 2.48Å; S1007-D1010 PolarHBondContact OG-N 3.41Å; S1007-D1010 PolarHBondContact OG-OD1 3.22Å; S1007-D1010 PolarHBondContact OG-OD2 3.47Å; I1008-D1010 VanDerWaalsContact C-N 3.3Å; I1008-D1010 PolarHBondContact O-N 3.21Å; D1010-Q1013 WeakPolarHBondContact O-CB 3.37Å; D1010-Q1013 PolarHBondContact O-N 2.91Å; D1010-L1014 PolarHBondContact O-N 2.51Å
1011	L	95.1	Very high	95.2	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-61.2	-44.1	168.6	175.8	65.3	0	0	0	111.2	V544 I961 I1005 S1007 I1008 Q1013 L1014 I1015 V1029 V1044	V544-L1011 HydrophobicContact CB-CD2 4.46Å; V544-L1011 HydrophobicContact CG1-CB 4.19Å; V544-L1011 HydrophobicContact CG1-CD2 3.59Å; V544-L1011 HydrophobicContact CG2-CD2 3.97Å; I961-L1011 HydrophobicContact CD1-CD1 3.75Å; I961-L1011 HydrophobicContact CG2-CD1 4.09Å; I1005-L1011 HydrophobicContact CD1-CD1 3.92Å; I1005-L1011 HydrophobicContact CG2-CB 3.87Å; S1007-L1011 PolarHBondContact O-N 2.68Å; I1008-L1011 HydrophobicContact CD1-CD2 4.02Å; I1008-L1011 PolarHBondContact O-N 3.37Å; L1011-Q1013 PolarHBondContact O-N 3.01Å; L1011-L1014 PolarHBondContact O-N 2.85Å; L1011-L1014 VanDerWaalsContact O-N 3.17Å; L1011-I1015 HydrophobicContact CD1-CD1 4.09Å; L1011-I1015 HydrophobicContact CD1-CG1 4.21Å; L1011-I1015 HydrophobicContact CD2-CD1 4.31Å; L1011-I1015 HydrophobicContact CG-CD1 3.8Å; L1011-I1015 HydrophobicContact CG-CG1 4.36Å; L1011-I1015 WeakPolarHBondContact O-CG1 3.4Å; L1011-I1015 PolarHBondContact O-N 2.73Å; L1011-V1029 HydrophobicContact CD1-CG2 4.31Å; L1011-V1029 HydrophobicContact CD2-CG1 4.3Å; L1011-V1029 HydrophobicContact CD2-CG2 4.44Å; L1011-V1044 HydrophobicContact CD2-CB 4.47Å; L1011-V1044 HydrophobicContact CD2-CG1 4.44Å; L1011-V1044 HydrophobicContact CD2-CG2 3.75Å
1012	A	93.8	Very high	95.3	Very high	8 Å²	8	5.6 Å²	5.6	7%	0.066	3%	0.028	C	C	.	.	H	α-helix	trans	-59.8	-36.9	176	0	0	0	0	0	111.5	F249 I1008 E1009 I1015 F1016 A1047	F249-A1012 HydrophobicContact CE2-CB 4.47Å; I1008-A1012 PolarHBondContact O-N 2.7Å; E1009-A1012 WeakPolarHBondContact O-CB 3.25Å; E1009-A1012 PolarHBondContact O-N 3.42Å; A1012-I1015 PolarHBondContact O-N 3.44Å; A1012-F1016 WeakPolarHBondContact O-CB 3.41Å; A1012-F1016 PolarHBondContact O-N 3.07Å; A1012-A1047 HydrophobicContact CB-CB 3.71Å
1013	Q	96.3	Very high	95.2	Very high	7 Å²	7	10.3 Å²	10.3	3%	0.033	6%	0.059	C	C	.	.	H	α-helix	trans	-65.3	-43.9	173.3	-174	56.2	49.1	0	0	112.4	E1009 D1010 L1011 F1016 D1017 S1274 Q1307 Y1328	E1009-Q1013 PolarHBondContact O-N 3.09Å; D1010-Q1013 WeakPolarHBondContact O-CB 3.37Å; D1010-Q1013 PolarHBondContact O-N 2.91Å; L1011-Q1013 PolarHBondContact O-N 3.01Å; Q1013-F1016 PolarHBondContact O-N 2.71Å; Q1013-D1017 PolarHBondContact NE2-OD1 2.86Å; Q1013-D1017 PolarHBondContact O-N 3.24Å; Q1013-S1274 PolarHBondContact NE2-OG 2.85Å; Q1013-S1274 VanDerWaalsContact NE2-OG 3.12Å; Q1013-Q1307 HydrophobicContact CG-CB 3.88Å; Q1013-Y1328 HydrophobicContact CG-CD2 4.44Å; Q1013-Y1328 HydrophobicContact CG-CE2 4.44Å
1014	L	97.7	Very high	95.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65	-40.5	175.1	177.2	60.8	0	0	0	112.3	I961 I1005 D1010 L1011 F1016 D1017 L1018 W1312	I961-L1014 HydrophobicContact CD1-CD2 3.91Å; I961-L1014 HydrophobicContact CD1-CG 3.95Å; I961-L1014 HydrophobicContact CG1-CD2 4.06Å; I961-L1014 HydrophobicContact CG1-CG 4.42Å; I961-L1014 HydrophobicContact CG2-CD2 3.89Å; I1005-L1014 HydrophobicContact CD1-CD2 3.83Å; I1005-L1014 HydrophobicContact CG1-CD2 4.21Å; D1010-L1014 PolarHBondContact O-N 2.51Å; L1011-L1014 PolarHBondContact O-N 2.85Å; L1011-L1014 VanDerWaalsContact O-N 3.17Å; L1014-F1016 VanDerWaalsContact C-N 3.27Å; L1014-F1016 PolarHBondContact O-N 3.43Å; L1014-D1017 PolarHBondContact O-N 2.99Å; L1014-L1018 HydrophobicContact CD1-CD1 4.13Å; L1014-L1018 HydrophobicContact CD1-CD2 4.46Å; L1014-L1018 HydrophobicContact CD1-CG 4.03Å; L1014-L1018 HydrophobicContact CG-CD1 4.11Å; L1014-L1018 HydrophobicContact CG-CG 4.43Å; L1014-L1018 VanDerWaalsContact O-CG 3.27Å; L1014-L1018 WeakPolarHBondContact O-CG 3.42Å; L1014-L1018 PolarHBondContact O-N 2.93Å; L1014-W1312 HydrophobicContact CD1-CZ2 4.18Å
1015	I	97.7	Very high	95.2	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-59.6	-42.8	174.8	-68.1	166.6	0	0	0	110.1	I961 L1011 A1012 L1018 K1019 I1027 V1029 A1047 Y1048 A1049	I961-I1015 HydrophobicContact CD1-CG1 3.6Å; L1011-I1015 HydrophobicContact CD1-CD1 4.09Å; L1011-I1015 HydrophobicContact CD1-CG1 4.21Å; L1011-I1015 HydrophobicContact CD2-CD1 4.31Å; L1011-I1015 HydrophobicContact CG-CD1 3.8Å; L1011-I1015 HydrophobicContact CG-CG1 4.36Å; L1011-I1015 WeakPolarHBondContact O-CG1 3.4Å; L1011-I1015 PolarHBondContact O-N 2.73Å; A1012-I1015 PolarHBondContact O-N 3.44Å; I1015-L1018 PolarHBondContact O-N 3.11Å; I1015-K1019 HydrophobicContact CG2-CD 4.31Å; I1015-K1019 WeakPolarHBondContact O-CG 3.42Å; I1015-K1019 PolarHBondContact O-N 3.29Å; I1015-I1027 HydrophobicContact CB-CG2 4.46Å; I1015-I1027 HydrophobicContact CG1-CG2 3.98Å; I1015-I1027 HydrophobicContact CG2-CB 4.32Å; I1015-I1027 HydrophobicContact CG2-CG1 4.34Å; I1015-I1027 HydrophobicContact CG2-CG2 4.23Å; I1015-V1029 HydrophobicContact CD1-CG2 4.2Å; I1015-A1047 HydrophobicContact CD1-CB 3.98Å; I1015-A1047 VanDerWaalsContact CD1-O 3.23Å; I1015-A1047 WeakPolarHBondContact CD1-O 3.19Å; I1015-Y1048 WeakPolarHBondContact CG2-O 3.42Å; I1015-A1049 HydrophobicContact CD1-CB 4.01Å
1016	F	97.2	Very high	95.3	Very high	5 Å²	5	20.8 Å²	20.8	2%	0.022	11%	0.107	C	C	.	.	H	α-helix	trans	-63.4	-48	175.1	-173.5	-101.1	0	0	0	111.9	A1012 Q1013 L1014 L1018 K1019 Q1020 P1238 D1240 R1273 S1274	A1012-F1016 WeakPolarHBondContact O-CB 3.41Å; A1012-F1016 PolarHBondContact O-N 3.07Å; Q1013-F1016 PolarHBondContact O-N 2.71Å; L1014-F1016 VanDerWaalsContact C-N 3.27Å; L1014-F1016 PolarHBondContact O-N 3.43Å; F1016-L1018 VanDerWaalsContact C-N 3.25Å; F1016-L1018 PolarHBondContact O-N 3.48Å; F1016-K1019 PolarHBondContact O-N 3.24Å; F1016-Q1020 HydrophobicContact CD1-CG 4.02Å; F1016-Q1020 HydrophobicContact CE1-CG 3.72Å; F1016-Q1020 HydrophobicContact CE2-CG 4.32Å; F1016-Q1020 HydrophobicContact CG-CG 4.43Å; F1016-Q1020 HydrophobicContact CZ-CG 3.9Å; F1016-Q1020 VanDerWaalsContact O-CG 3.28Å; F1016-Q1020 WeakPolarHBondContact O-CG 3.4Å; F1016-Q1020 PolarHBondContact O-N 3.38Å; F1016-P1238 HydrophobicContact CD2-CB 4.06Å; F1016-P1238 HydrophobicContact CD2-CG 4.14Å; F1016-P1238 HydrophobicContact CE2-CG 4.4Å; F1016-D1240 HydrophobicContact CE2-CB 3.96Å; F1016-D1240 WeakPolarHBondContact CE2-O 3.26Å; F1016-D1240 HydrophobicContact CZ-CB 4.37Å; F1016-R1273 HydrophobicContact CD1-CB 4.3Å; F1016-R1273 HydrophobicContact CE1-CB 3.93Å; F1016-S1274 WeakPolarHBondContact CD1-OG 3.37Å; F1016-S1274 WeakPolarHBondContact CE1-OG 3.21Å
1017	D	98.3	Very high	95.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-53.5	-41.8	175.9	-64.6	-25.2	0	0	0	112.3	Q1013 L1014 V1021 S1274 S1308 V1311 W1312 K1331	Q1013-D1017 PolarHBondContact NE2-OD1 2.86Å; Q1013-D1017 PolarHBondContact O-N 3.24Å; L1014-D1017 PolarHBondContact O-N 2.99Å; D1017-V1021 PolarHBondContact O-N 3.39Å; D1017-S1274 WeakPolarHBondContact OD1-CB 3.49Å; D1017-S1274 PolarHBondContact OD1-OG 3.03Å; D1017-S1308 VanDerWaalsContact CG-OG 3.28Å; D1017-S1308 WeakPolarHBondContact OD1-CB 3.09Å; D1017-S1308 PolarHBondContact OD1-OG 2.73Å; D1017-S1308 PolarHBondContact OD2-OG 2.87Å; D1017-V1311 HydrophobicContact CB-CG1 4.36Å; D1017-V1311 HydrophobicContact CB-CG2 4.28Å; D1017-W1312 PolarHBondContact O-NE1 2.9Å; D1017-K1331 WeakPolarHBondContact OD2-CE 3.28Å; D1017-K1331 IonicContact OD2-NZ 2.67Å; D1017-K1331 PolarHBondContact OD2-NZ 3.44Å
1018	L	98.3	Very high	95.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-72.7	-41	-179.7	-65.8	174.1	0	0	0	112.3	V941 L953 I959 I961 L1014 I1015 F1016 Q1020 V1021 N1022 I1027 W1312	V941-L1018 HydrophobicContact CG2-CD2 4.23Å; L953-L1018 HydrophobicContact CD1-CD2 4.02Å; L953-L1018 HydrophobicContact CD2-CD2 3.93Å; I959-L1018 HydrophobicContact CD1-CB 4.43Å; I959-L1018 HydrophobicContact CD1-CD2 4.47Å; I959-L1018 HydrophobicContact CG2-CD1 3.81Å; I959-L1018 HydrophobicContact CG2-CD2 4.14Å; I959-L1018 HydrophobicContact CG2-CG 4.48Å; I961-L1018 HydrophobicContact CD1-CD1 3.91Å; I961-L1018 HydrophobicContact CG1-CD1 3.73Å; L1014-L1018 HydrophobicContact CD1-CD1 4.13Å; L1014-L1018 HydrophobicContact CD1-CD2 4.46Å; L1014-L1018 HydrophobicContact CD1-CG 4.03Å; L1014-L1018 HydrophobicContact CG-CD1 4.11Å; L1014-L1018 HydrophobicContact CG-CG 4.43Å; L1014-L1018 VanDerWaalsContact O-CG 3.27Å; L1014-L1018 WeakPolarHBondContact O-CG 3.42Å; L1014-L1018 PolarHBondContact O-N 2.93Å; I1015-L1018 PolarHBondContact O-N 3.11Å; F1016-L1018 VanDerWaalsContact C-N 3.25Å; F1016-L1018 PolarHBondContact O-N 3.48Å; L1018-Q1020 VanDerWaalsContact C-N 3.29Å; L1018-Q1020 PolarHBondContact O-N 3Å; L1018-V1021 WeakPolarHBondContact O-CG1 3.46Å; L1018-V1021 PolarHBondContact O-N 3.17Å; L1018-N1022 PolarHBondContact O-N 3.28Å; L1018-I1027 HydrophobicContact CB-CD1 3.66Å; L1018-I1027 HydrophobicContact CB-CG1 4.46Å; L1018-I1027 HydrophobicContact CD1-CD1 4.44Å; L1018-I1027 HydrophobicContact CD1-CG2 4.38Å; L1018-W1312 HydrophobicContact CD2-CZ2 3.86Å
1019	K	97.3	Very high	96.3	Very high	25 Å²	25	20.3 Å²	20.3	11%	0.109	11%	0.105	C	C	.	.	H	α-helix	trans	-66.7	-29.2	173.9	-73	-173.8	170.5	-176.8	0	112.5	I1015 F1016 N1022 P1023 I1027 Y1048 D1050 N1236	I1015-K1019 HydrophobicContact CG2-CD 4.31Å; I1015-K1019 WeakPolarHBondContact O-CG 3.42Å; I1015-K1019 PolarHBondContact O-N 3.29Å; F1016-K1019 PolarHBondContact O-N 3.24Å; K1019-N1022 CarbonylContact O-C 3.52Å; K1019-P1023 VanDerWaalsContact O-CA 3.25Å; K1019-P1023 WeakPolarHBondContact O-CA 3.47Å; K1019-P1023 WeakPolarHBondContact O-CB 3.36Å; K1019-I1027 HydrophobicContact CD-CG1 4.23Å; K1019-I1027 HydrophobicContact CG-CD1 4.25Å; K1019-I1027 HydrophobicContact CG-CG1 3.64Å; K1019-Y1048 PolarHBondContact NZ-O 2.86Å; K1019-D1050 WeakPolarHBondContact CE-OD2 3.49Å; K1019-D1050 IonicContact NZ-OD1 3.37Å; K1019-D1050 PolarHBondContact NZ-OD1 2.87Å; K1019-D1050 IonicContact NZ-OD2 2.9Å; K1019-D1050 PolarHBondContact NZ-OD2 3.47Å; K1019-N1236 PolarHBondContact NZ-O 3.27Å
1020	Q	97.6	Very high	96.7	Very high	20 Å²	20	20.6 Å²	20.6	9%	0.093	11%	0.106	C	C	.	.	H	α-helix	trans	-72.4	-38.8	175.8	-68.2	-66.7	-55.4	0	0	112.6	F1016 L1018 N1245 A1277 S1278	F1016-Q1020 HydrophobicContact CD1-CG 4.02Å; F1016-Q1020 HydrophobicContact CE1-CG 3.72Å; F1016-Q1020 HydrophobicContact CE2-CG 4.32Å; F1016-Q1020 HydrophobicContact CG-CG 4.43Å; F1016-Q1020 HydrophobicContact CZ-CG 3.9Å; F1016-Q1020 VanDerWaalsContact O-CG 3.28Å; F1016-Q1020 WeakPolarHBondContact O-CG 3.4Å; F1016-Q1020 PolarHBondContact O-N 3.38Å; L1018-Q1020 VanDerWaalsContact C-N 3.29Å; L1018-Q1020 PolarHBondContact O-N 3Å; Q1020-N1245 VanDerWaalsContact OE1-CB 3.26Å; Q1020-N1245 PolarHBondContact OE1-ND2 3.16Å; Q1020-N1245 VanDerWaalsContact OE1-ND2 3.09Å; Q1020-A1277 HydrophobicContact CB-CB 3.81Å; Q1020-S1278 WeakPolarHBondContact O-CA 3.41Å; Q1020-S1278 WeakPolarHBondContact O-CB 3.44Å; Q1020-S1278 PolarHBondContact O-N 3.19Å; Q1020-S1278 PolarHBondContact O-OG 3.28Å; Q1020-S1278 PolarHBondContact OE1-OG 2.75Å
1021	V	97.8	Very high	97	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.024	11%	0.105	C	C	.	.	H	α-helix	trans	-80.4	-36.2	178.2	68.2	0	0	0	0	113.2	L953 V954 D1017 L1018 A1277 W1312	L953-V1021 HydrophobicContact CB-CG1 4.25Å; L953-V1021 HydrophobicContact CD1-CG1 3.93Å; V954-V1021 HydrophobicContact CG1-CG2 4.37Å; D1017-V1021 PolarHBondContact O-N 3.39Å; L1018-V1021 WeakPolarHBondContact O-CG1 3.46Å; L1018-V1021 PolarHBondContact O-N 3.17Å; V1021-A1277 HydrophobicContact CB-CB 4.39Å; V1021-W1312 HydrophobicContact CB-CG 4.33Å; V1021-W1312 HydrophobicContact CG1-CG 4.3Å; V1021-W1312 HydrophobicContact CG2-CB 4.15Å; V1021-W1312 HydrophobicContact CG2-CG 4.35Å
1022	N	97.5	Very high	97	Very high	6 Å²	6	20.4 Å²	20.4	3%	0.032	11%	0.105	C	C	.	.			trans	-132.3	86.3	174.4	-174.3	-4.3	0	0	0	111.1	L953 V954 A956 I959 L1018 K1019 K1024 A1025	L953-N1022 PolarHBondContact O-ND2 2.71Å; V954-N1022 HydrophobicContact CG1-CB 4.46Å; A956-N1022 PolarHBondContact O-ND2 2.72Å; I959-N1022 HydrophobicContact CD1-CB 4.15Å; L1018-N1022 PolarHBondContact O-N 3.28Å; K1019-N1022 CarbonylContact O-C 3.52Å; N1022-K1024 PolarHBondContact O-N 2.63Å; N1022-K1024 VanDerWaalsContact O-N 3.09Å; N1022-K1024 PolarHBondContact OD1-N 3.35Å; N1022-K1024 VanDerWaalsContact OD1-N 3.16Å; N1022-A1025 HydrophobicContact CB-CB 4.33Å; N1022-A1025 PolarHBondContact O-N 3.02Å; N1022-A1025 PolarHBondContact OD1-N 2.78Å
1023	P	94.7	Very high	97.1	Very high	108 Å²	108	20 Å²	20	70%	0.701	10%	0.102	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-0.1	-179.3	29.3	-36.4	0	0	0	114.4	K1019	K1019-P1023 VanDerWaalsContact O-CA 3.25Å; K1019-P1023 WeakPolarHBondContact O-CA 3.47Å; K1019-P1023 WeakPolarHBondContact O-CB 3.36Å
1024	K	94.7	Very high	97	Very high	163 Å²	163	19.8 Å²	19.8	71%	0.709	10%	0.101	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-20.6	176.3	-62.4	177.9	-177.1	170.6	0	113	N1022	N1022-K1024 PolarHBondContact O-N 2.63Å; N1022-K1024 VanDerWaalsContact O-N 3.09Å; N1022-K1024 PolarHBondContact OD1-N 3.35Å; N1022-K1024 VanDerWaalsContact OD1-N 3.16Å
1025	A	96.4	Very high	96.6	Very high	7 Å²	7	20.5 Å²	20.5	6%	0.058	11%	0.106	C	C	.	.	S	Bend	trans	-80.8	140.5	-177	0	0	0	0	0	112.1	D957 I959 N1022	D957-A1025 VanDerWaalsContact O-CA 3.32Å; D957-A1025 WeakPolarHBondContact O-CA 3.37Å; I959-A1025 HydrophobicContact CD1-CB 3.88Å; I959-A1025 HydrophobicContact CG1-CB 3.92Å; N1022-A1025 HydrophobicContact CB-CB 4.33Å; N1022-A1025 PolarHBondContact O-N 3.02Å; N1022-A1025 PolarHBondContact OD1-N 2.78Å
1026	M	96.6	Very high	96.2	Very high	59 Å²	59	20.8 Å²	20.8	29%	0.291	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	137.1	164.3	-66.6	-176.2	-62.6	0	0	109.5	D957 V958 I959 D1050	D957-M1026 PolarHBondContact O-N 2.92Å; V958-M1026 CarbonylContact C-O 3.53Å; V958-M1026 VanDerWaalsContact CA-O 3.31Å; V958-M1026 WeakPolarHBondContact CA-O 3.09Å; V958-M1026 HydrophobicContact CG1-CB 4.43Å; V958-M1026 WeakPolarHBondContact CG1-O 3.4Å; V958-M1026 HydrophobicContact CG2-CB 4.41Å; V958-M1026 HydrophobicContact CG2-CE 3.66Å; I959-M1026 PolarHBondContact N-O 3.17Å; M1026-D1050 HydrophobicContact CB-CB 4.13Å; M1026-D1050 HydrophobicContact CG-CB 4.41Å
1027	I	98.3	Very high	96	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	114.6	175.1	-50.2	-54.8	0	0	0	109.8	I959 I961 I1015 L1018 K1019 D1050 L1051	I959-I1027 HydrophobicContact CB-CD1 3.98Å; I959-I1027 HydrophobicContact CD1-CD1 4.17Å; I959-I1027 WeakPolarHBondContact O-CA 3.39Å; I961-I1027 HydrophobicContact CD1-CG2 3.86Å; I961-I1027 HydrophobicContact CG1-CG2 4.25Å; I1015-I1027 HydrophobicContact CB-CG2 4.46Å; I1015-I1027 HydrophobicContact CG1-CG2 3.98Å; I1015-I1027 HydrophobicContact CG2-CB 4.32Å; I1015-I1027 HydrophobicContact CG2-CG1 4.34Å; I1015-I1027 HydrophobicContact CG2-CG2 4.23Å; L1018-I1027 HydrophobicContact CB-CD1 3.66Å; L1018-I1027 HydrophobicContact CB-CG1 4.46Å; L1018-I1027 HydrophobicContact CD1-CD1 4.44Å; L1018-I1027 HydrophobicContact CD1-CG2 4.38Å; K1019-I1027 HydrophobicContact CD-CG1 4.23Å; K1019-I1027 HydrophobicContact CG-CD1 4.25Å; K1019-I1027 HydrophobicContact CG-CG1 3.64Å; I1027-D1050 PolarHBondContact N-OD2 3.46Å; I1027-D1050 PolarHBondContact O-N 2.9Å; I1027-L1051 PolarHBondContact O-N 3.08Å
1028	S	97.8	Very high	95.7	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.007	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	137.9	173.9	167.2	0	0	0	0	110.1	I959 Q960 I961 L1051 T1053	I959-S1028 PolarHBondContact O-N 3.14Å; Q960-S1028 CarbonylContact C-O 3.52Å; Q960-S1028 WeakPolarHBondContact CA-O 3.02Å; Q960-S1028 WeakPolarHBondContact CG-OG 3.22Å; Q960-S1028 PolarHBondContact NE2-OG 3.43Å; I961-S1028 PolarHBondContact N-O 3Å; S1028-L1051 CarbonylContact C-O 3.56Å; S1028-L1051 VanDerWaalsContact CA-O 3.26Å; S1028-L1051 WeakPolarHBondContact CA-O 3.31Å; S1028-L1051 VanDerWaalsContact OG-CD2 3.28Å; S1028-L1051 WeakPolarHBondContact OG-CD2 3.26Å; S1028-T1053 PolarHBondContact OG-OG1 3.36Å
1029	V	98.3	Very high	95.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.9	168.3	-178.6	0	0	0	0	108.9	I961 V963 L1011 I1015 L1031 V1044 A1049 L1051 I1052 T1053	I961-V1029 HydrophobicContact CB-CG2 4.45Å; I961-V1029 HydrophobicContact CD1-CG2 4.28Å; V963-V1029 HydrophobicContact CG2-CG1 3.84Å; L1011-V1029 HydrophobicContact CD1-CG2 4.31Å; L1011-V1029 HydrophobicContact CD2-CG1 4.3Å; L1011-V1029 HydrophobicContact CD2-CG2 4.44Å; I1015-V1029 HydrophobicContact CD1-CG2 4.2Å; V1029-L1031 HydrophobicContact CG1-CD2 3.97Å; V1029-L1031 HydrophobicContact CG1-CG 4.34Å; V1029-V1044 HydrophobicContact CB-CG1 3.73Å; V1029-V1044 HydrophobicContact CG1-CG1 4.05Å; V1029-V1044 HydrophobicContact CG1-CG2 4.32Å; V1029-V1044 HydrophobicContact CG2-CG1 3.72Å; V1029-A1049 HydrophobicContact CG2-CB 3.9Å; V1029-L1051 PolarHBondContact N-O 3.35Å; V1029-I1052 WeakPolarHBondContact O-CA 3.4Å; V1029-T1053 PolarHBondContact O-N 2.84Å
1030	K	97.6	Very high	94.8	Very high	14 Å²	14	19.7 Å²	19.7	6%	0.061	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	108.7	179	-175.6	167.8	-176.9	158.8	0	111.1	Q960 I961 V963 A964 T1053 D1101	Q960-K1030 HydrophobicContact CG-CB 4.01Å; I961-K1030 PolarHBondContact O-N 2.87Å; V963-K1030 PolarHBondContact N-O 3.24Å; A964-K1030 PolarHBondContact N-O 2.91Å; K1030-T1053 HydrophobicContact CD-CG2 4.38Å; K1030-T1053 HydrophobicContact CG-CG2 4.18Å; K1030-D1101 IonicContact NZ-OD1 2.76Å; K1030-D1101 PolarHBondContact NZ-OD1 3.12Å; K1030-D1101 IonicContact NZ-OD2 3.88Å; K1030-D1101 PolarHBondContact NZ-OD2 2.9Å
1031	L	97.1	Very high	94.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	167.9	174.4	-56.8	-179.7	0	0	0	110.2	V544 V963 V1029 V1037 I1040 A1041 V1044 I1052 T1053 I1054 A1055	V544-L1031 HydrophobicContact CG2-CD2 3.74Å; V963-L1031 HydrophobicContact CB-CD2 4.43Å; V963-L1031 HydrophobicContact CG2-CD2 4.47Å; V1029-L1031 HydrophobicContact CG1-CD2 3.97Å; V1029-L1031 HydrophobicContact CG1-CG 4.34Å; L1031-V1037 HydrophobicContact CB-CG2 4.11Å; L1031-V1037 HydrophobicContact CD1-CG2 4.08Å; L1031-I1040 HydrophobicContact CD1-CG2 4.02Å; L1031-I1040 HydrophobicContact CD2-CG2 4.27Å; L1031-A1041 HydrophobicContact CD1-CB 4.4Å; L1031-V1044 HydrophobicContact CD1-CG2 4.36Å; L1031-I1052 HydrophobicContact CD1-CG2 3.94Å; L1031-I1052 HydrophobicContact CG-CG2 4.34Å; L1031-T1053 PolarHBondContact N-O 2.67Å; L1031-I1054 HydrophobicContact CB-CD1 4.22Å; L1031-I1054 HydrophobicContact CD1-CD1 4.36Å; L1031-A1055 WeakPolarHBondContact O-CB 3.17Å; L1031-A1055 PolarHBondContact O-N 3.43Å
1032	V	96.9	Very high	94.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	142.5	172.3	175	0	0	0	0	109.2	F541 Q543 A964 P969 E1034 A1055	F541-V1032 HydrophobicContact CE1-CG1 4.24Å; F541-V1032 HydrophobicContact CE2-CB 3.92Å; F541-V1032 HydrophobicContact CE2-CG1 4.35Å; F541-V1032 HydrophobicContact CZ-CB 3.64Å; F541-V1032 HydrophobicContact CZ-CG1 3.59Å; Q543-V1032 PolarHBondContact NE2-O 3.03Å; A964-V1032 HydrophobicContact CB-CB 4.22Å; A964-V1032 HydrophobicContact CB-CG2 3.53Å; P969-V1032 HydrophobicContact CB-CB 4.19Å; P969-V1032 HydrophobicContact CB-CG1 4.12Å; P969-V1032 HydrophobicContact CB-CG2 4.18Å; P969-V1032 HydrophobicContact CG-CG1 4.26Å; V1032-E1034 PolarHBondContact O-N 3.27Å; V1032-A1055 WeakPolarHBondContact CA-O 3.31Å; V1032-A1055 HydrophobicContact CG2-CB 4.09Å
1033	S	95.5	Very high	94	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.			trans	-60.5	122.5	176.7	-177.6	0	0	0	0	111.5	A1055 C1074 P1075 G1079	S1033-A1055 PolarHBondContact N-O 2.86Å; S1033-C1074 VanDerWaalsContact O-CB 3.31Å; S1033-C1074 WeakPolarHBondContact O-CB 3.35Å; S1033-C1074 PolarHBondContact O-N 3.3Å; S1033-P1075 WeakPolarHBondContact CB-O 3.36Å; S1033-P1075 PolarHBondContact OG-O 3.04Å; S1033-G1079 WeakPolarHBondContact OG-CA 3.37Å; S1033-G1079 PolarHBondContact OG-N 3.33Å
1034	E	93.4	Very high	94	Very high	3 Å²	3	13.1 Å²	13.1	1%	0.014	6%	0.064	C	C	.	.			trans	-158	172.3	168.8	75.5	-178	150.9	0	0	108.4	F541 Q543 V1032 G1036 V1037	F541-E1034 HydrophobicContact CE1-CB 3.93Å; F541-E1034 HydrophobicContact CE1-CG 4.42Å; F541-E1034 WeakPolarHBondContact CE1-OE2 3.34Å; F541-E1034 HydrophobicContact CE2-CG 4.34Å; F541-E1034 WeakPolarHBondContact CE2-OE1 3.41Å; F541-E1034 HydrophobicContact CZ-CB 3.8Å; F541-E1034 HydrophobicContact CZ-CG 3.97Å; F541-E1034 PolarHBondContact N-OE2 3.14Å; Q543-E1034 WeakPolarHBondContact CG-OE1 3.26Å; Q543-E1034 PolarHBondContact NE2-OE1 2.93Å; V1032-E1034 PolarHBondContact O-N 3.27Å; E1034-G1036 PolarHBondContact O-N 2.67Å; E1034-V1037 WeakPolarHBondContact O-CB 3.48Å; E1034-V1037 VanDerWaalsContact O-CG1 3.26Å; E1034-V1037 WeakPolarHBondContact O-CG1 3.04Å; E1034-V1037 PolarHBondContact O-N 2.86Å
1035	P	90	Very high	93.9	Very high	14 Å²	14	5.4 Å²	5.4	9%	0.091	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	130.2	174.4	-20.8	34.1	0	0	0	112.6	E763 V780	E763-P1035 HydrophobicContact CB-CG 3.89Å; E763-P1035 HydrophobicContact CG-CG 3.94Å; E763-P1035 VanDerWaalsContact OE2-CD 3.29Å; E763-P1035 WeakPolarHBondContact OE2-CD 2.9Å; E763-P1035 VanDerWaalsContact OE2-CG 3.3Å; E763-P1035 WeakPolarHBondContact OE2-CG 3.26Å; V780-P1035 HydrophobicContact CB-CB 4.44Å; V780-P1035 HydrophobicContact CB-CG 4.13Å; V780-P1035 HydrophobicContact CG1-CB 3.91Å; V780-P1035 HydrophobicContact CG1-CG 3.75Å; V780-P1035 HydrophobicContact CG2-CB 4.27Å; V780-P1035 HydrophobicContact CG2-CG 4.39Å
1036	G	88.6	Confident	93.6	Very high	8 Å²	8	5.6 Å²	5.6	8%	0.082	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.5	0.4	-178.5	0	0	0	0	0	113.8	E1034 G1038 T1039 I1040 E1082	E1034-G1036 PolarHBondContact O-N 2.67Å; G1036-G1038 PolarHBondContact O-N 3.08Å; G1036-T1039 WeakPolarHBondContact O-CB 3.34Å; G1036-T1039 PolarHBondContact O-N 3.04Å; G1036-T1039 VanDerWaalsContact O-N 3.16Å; G1036-I1040 WeakPolarHBondContact O-CD1 3.43Å; G1036-I1040 WeakPolarHBondContact O-CG1 3.23Å; G1036-I1040 PolarHBondContact O-N 2.8Å; G1036-E1082 WeakPolarHBondContact CA-OE1 3.33Å; G1036-E1082 PolarHBondContact N-OE1 2.85Å; G1036-E1082 PolarHBondContact N-OE2 3.03Å
1037	V	92.9	Very high	93.4	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-59.5	-30.3	174.3	71.8	0	0	0	0	112.1	L1031 E1034 I1040 A1041 I1054 E1082	L1031-V1037 HydrophobicContact CB-CG2 4.11Å; L1031-V1037 HydrophobicContact CD1-CG2 4.08Å; E1034-V1037 WeakPolarHBondContact O-CB 3.48Å; E1034-V1037 VanDerWaalsContact O-CG1 3.26Å; E1034-V1037 WeakPolarHBondContact O-CG1 3.04Å; E1034-V1037 PolarHBondContact O-N 2.86Å; V1037-I1040 PolarHBondContact O-N 3.17Å; V1037-A1041 VanDerWaalsContact O-CB 3.3Å; V1037-A1041 WeakPolarHBondContact O-CB 3.48Å; V1037-A1041 PolarHBondContact O-N 3.23Å; V1037-I1054 HydrophobicContact CG2-CD1 3.98Å; V1037-E1082 PolarHBondContact N-OE1 3.39Å; V1037-E1082 VanDerWaalsContact N-OE1 3.08Å
1038	G	91.6	Very high	93.2	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-68.4	-42.4	175.9	0	0	0	0	0	112.3	G1036 A1041 T1042 E1082 A1086	G1036-G1038 PolarHBondContact O-N 3.08Å; G1038-A1041 PolarHBondContact O-N 3.25Å; G1038-T1042 WeakPolarHBondContact O-CG2 3.38Å; G1038-T1042 PolarHBondContact O-N 2.83Å; G1038-E1082 PolarHBondContact N-OE1 2.98Å; G1038-A1086 VanDerWaalsContact C-CB 3.49Å; G1038-A1086 WeakPolarHBondContact O-CB 3.41Å
1039	T	87	Confident	93.2	Very high	4 Å²	4	5 Å²	5	3%	0.025	3%	0.025	C	C	.	.	H	α-helix	trans	-55.1	-54.4	169.5	-74.1	0	0	0	0	110.3	L38 T251 G1036 A1041 T1042 G1043	L38-T1039 WeakPolarHBondContact O-CB 3.49Å; L38-T1039 WeakPolarHBondContact O-CG2 3.13Å; L38-T1039 PolarHBondContact O-OG1 3.14Å; T251-T1039 HydrophobicContact CG2-CG2 4.36Å; T251-T1039 WeakPolarHBondContact O-CG2 3.34Å; T251-T1039 WeakPolarHBondContact OG1-CG2 3.33Å; G1036-T1039 WeakPolarHBondContact O-CB 3.34Å; G1036-T1039 PolarHBondContact O-N 3.04Å; G1036-T1039 VanDerWaalsContact O-N 3.16Å; T1039-A1041 VanDerWaalsContact C-N 3.28Å; T1039-A1041 PolarHBondContact O-N 3.4Å; T1039-T1042 PolarHBondContact O-N 3.1Å; T1039-T1042 PolarHBondContact O-OG1 2.88Å; T1039-G1043 PolarHBondContact O-N 2.85Å
1040	I	91.3	Very high	93.1	Very high	2 Å²	2	5.9 Å²	5.9	1%	0.01	3%	0.03	C	C	.	.	H	α-helix	trans	-56.5	-43.4	-179.9	-66.7	156	0	0	0	110.6	Q543 V544 T545 L1031 G1036 V1037 T1042 G1043 V1044	Q543-I1040 HydrophobicContact CG-CD1 4.01Å; V544-I1040 HydrophobicContact CB-CG2 3.98Å; V544-I1040 HydrophobicContact CG2-CG2 4.05Å; T545-I1040 HydrophobicContact CG2-CG1 4.03Å; L1031-I1040 HydrophobicContact CD1-CG2 4.02Å; L1031-I1040 HydrophobicContact CD2-CG2 4.27Å; G1036-I1040 WeakPolarHBondContact O-CD1 3.43Å; G1036-I1040 WeakPolarHBondContact O-CG1 3.23Å; G1036-I1040 PolarHBondContact O-N 2.8Å; V1037-I1040 PolarHBondContact O-N 3.17Å; I1040-T1042 VanDerWaalsContact C-N 3.3Å; I1040-T1042 PolarHBondContact O-N 3.25Å; I1040-G1043 CarbonylContact O-C 3.53Å; I1040-G1043 WeakPolarHBondContact O-CA 3.34Å; I1040-G1043 PolarHBondContact O-N 3.33Å; I1040-V1044 HydrophobicContact CG2-CG2 4.23Å; I1040-V1044 WeakPolarHBondContact O-CG2 3.31Å; I1040-V1044 PolarHBondContact O-N 2.97Å
1041	A	93.4	Very high	93.1	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-61.2	-33.3	178.1	0	0	0	0	0	113.2	L1031 V1037 G1038 T1039 V1044 A1045 I1052 T1083	L1031-A1041 HydrophobicContact CD1-CB 4.4Å; V1037-A1041 VanDerWaalsContact O-CB 3.3Å; V1037-A1041 WeakPolarHBondContact O-CB 3.48Å; V1037-A1041 PolarHBondContact O-N 3.23Å; G1038-A1041 PolarHBondContact O-N 3.25Å; T1039-A1041 VanDerWaalsContact C-N 3.28Å; T1039-A1041 PolarHBondContact O-N 3.4Å; A1041-V1044 PolarHBondContact O-N 3.29Å; A1041-A1045 WeakPolarHBondContact O-CB 3.26Å; A1041-A1045 PolarHBondContact O-N 3.44Å; A1041-I1052 HydrophobicContact CB-CD1 3.87Å; A1041-I1052 WeakPolarHBondContact O-CD1 2.93Å; A1041-T1083 HydrophobicContact CB-CG2 3.61Å
1042	T	91.6	Very high	93.2	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-69.3	-36.4	172.2	82.1	0	0	0	0	112.2	T251 G1038 T1039 I1040 A1045 K1046 A1086 L1087 N1090	T251-T1042 VanDerWaalsContact C-OG1 3.27Å; T251-T1042 PolarHBondContact O-OG1 3.43Å; G1038-T1042 WeakPolarHBondContact O-CG2 3.38Å; G1038-T1042 PolarHBondContact O-N 2.83Å; T1039-T1042 PolarHBondContact O-N 3.1Å; T1039-T1042 PolarHBondContact O-OG1 2.88Å; I1040-T1042 VanDerWaalsContact C-N 3.3Å; I1040-T1042 PolarHBondContact O-N 3.25Å; T1042-A1045 PolarHBondContact O-N 2.98Å; T1042-K1046 WeakPolarHBondContact O-CG 3.33Å; T1042-K1046 PolarHBondContact O-N 2.75Å; T1042-A1086 HydrophobicContact CG2-CB 3.9Å; T1042-L1087 HydrophobicContact CG2-CD2 4.18Å; T1042-N1090 HydrophobicContact CG2-CB 4.16Å
1043	G	89.9	Confident	93.2	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-61	-47.2	170.8	0	0	0	0	0	111.8	I1008 T1039 I1040 A1045 K1046 A1047	I1008-G1043 VanDerWaalsContact CD1-C 3.45Å; T1039-G1043 PolarHBondContact O-N 2.85Å; I1040-G1043 CarbonylContact O-C 3.53Å; I1040-G1043 WeakPolarHBondContact O-CA 3.34Å; I1040-G1043 PolarHBondContact O-N 3.33Å; G1043-A1045 VanDerWaalsContact C-N 3.28Å; G1043-A1045 PolarHBondContact O-N 2.85Å; G1043-K1046 CarbonylContact O-C 3.58Å; G1043-K1046 WeakPolarHBondContact O-CA 3.32Å; G1043-K1046 WeakPolarHBondContact O-CB 3.22Å; G1043-K1046 PolarHBondContact O-N 2.64Å; G1043-K1046 VanDerWaalsContact O-N 3.08Å; G1043-A1047 WeakPolarHBondContact O-CB 3.16Å; G1043-A1047 PolarHBondContact O-N 3.35Å
1044	V	94.4	Very high	93.3	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-59.3	-37.8	175.7	172.2	0	0	0	0	111.9	V544 I1008 L1011 V1029 L1031 I1040 A1041 A1047 A1049 I1052	V544-V1044 HydrophobicContact CG1-CG2 4.4Å; V544-V1044 HydrophobicContact CG2-CG2 4.17Å; I1008-V1044 HydrophobicContact CD1-CG2 4.43Å; L1011-V1044 HydrophobicContact CD2-CB 4.47Å; L1011-V1044 HydrophobicContact CD2-CG1 4.44Å; L1011-V1044 HydrophobicContact CD2-CG2 3.75Å; V1029-V1044 HydrophobicContact CB-CG1 3.73Å; V1029-V1044 HydrophobicContact CG1-CG1 4.05Å; V1029-V1044 HydrophobicContact CG1-CG2 4.32Å; V1029-V1044 HydrophobicContact CG2-CG1 3.72Å; L1031-V1044 HydrophobicContact CD1-CG2 4.36Å; I1040-V1044 HydrophobicContact CG2-CG2 4.23Å; I1040-V1044 WeakPolarHBondContact O-CG2 3.31Å; I1040-V1044 PolarHBondContact O-N 2.97Å; A1041-V1044 PolarHBondContact O-N 3.29Å; V1044-A1047 WeakPolarHBondContact O-CB 3.4Å; V1044-A1047 PolarHBondContact O-N 2.92Å; V1044-A1049 HydrophobicContact CG1-CB 3.63Å; V1044-A1049 WeakPolarHBondContact O-CB 3.43Å; V1044-A1049 PolarHBondContact O-N 2.86Å; V1044-I1052 HydrophobicContact CB-CD1 3.92Å; V1044-I1052 HydrophobicContact CG1-CD1 3.65Å; V1044-I1052 HydrophobicContact CG1-CG1 3.75Å
1045	A	93.3	Very high	93.5	Very high	2 Å²	2	5.4 Å²	5.4	2%	0.017	3%	0.028	C	C	.	.	H	α-helix	trans	-68	-39	173.8	0	0	0	0	0	112.7	A1041 T1042 G1043 A1047 Y1048 L1087 L1092 I1096 N1236	A1041-A1045 WeakPolarHBondContact O-CB 3.26Å; A1041-A1045 PolarHBondContact O-N 3.44Å; T1042-A1045 PolarHBondContact O-N 2.98Å; G1043-A1045 VanDerWaalsContact C-N 3.28Å; G1043-A1045 PolarHBondContact O-N 2.85Å; A1045-A1047 VanDerWaalsContact C-N 3.26Å; A1045-A1047 PolarHBondContact O-N 3.49Å; A1045-Y1048 PolarHBondContact O-N 2.9Å; A1045-L1087 HydrophobicContact CB-CD2 3.81Å; A1045-L1092 HydrophobicContact CB-CB 4.34Å; A1045-L1092 HydrophobicContact CB-CD1 4.16Å; A1045-I1096 HydrophobicContact CB-CD1 3.54Å; A1045-I1096 HydrophobicContact CB-CG1 3.61Å; A1045-N1236 PolarHBondContact O-ND2 2.94Å
1046	K	90.1	Very high	93.7	Very high	10 Å²	10	4.7 Å²	4.7	4%	0.043	2%	0.024	C	C	.	.	H	α-helix	trans	-67.4	-26.4	172	-69	168.3	66.3	179.4	0	112.5	A75 D84 F249 S250 N252 T253 T1042 G1043 Y1048 L1092	A75-K1046 HydrophobicContact CB-CB 4.22Å; D84-K1046 IonicContact OD1-NZ 3.75Å; D84-K1046 PolarHBondContact OD1-NZ 3.38Å; D84-K1046 IonicContact OD2-NZ 2.68Å; D84-K1046 PolarHBondContact OD2-NZ 3.27Å; F249-K1046 HydrophobicContact CE1-CB 3.87Å; F249-K1046 HydrophobicContact CZ-CB 4.02Å; S250-K1046 PolarHBondContact O-NZ 2.95Å; S250-K1046 PolarHBondContact OG-NZ 3.33Å; N252-K1046 PolarHBondContact O-NZ 3.37Å; T253-K1046 HydrophobicContact CG2-CD 4.28Å; T1042-K1046 WeakPolarHBondContact O-CG 3.33Å; T1042-K1046 PolarHBondContact O-N 2.75Å; G1043-K1046 CarbonylContact O-C 3.58Å; G1043-K1046 WeakPolarHBondContact O-CA 3.32Å; G1043-K1046 WeakPolarHBondContact O-CB 3.22Å; G1043-K1046 PolarHBondContact O-N 2.64Å; G1043-K1046 VanDerWaalsContact O-N 3.08Å; K1046-Y1048 PolarHBondContact O-N 3.34Å; K1046-L1092 HydrophobicContact CG-CD1 4.1Å
1047	A	92	Very high	94	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	10.3	171.8	0	0	0	0	0	114	F249 I1008 A1012 I1015 G1043 V1044 A1045 A1049	F249-A1047 HydrophobicContact CZ-CB 4.32Å; I1008-A1047 HydrophobicContact CD1-CB 3.99Å; I1008-A1047 HydrophobicContact CG1-CB 4.42Å; A1012-A1047 HydrophobicContact CB-CB 3.71Å; I1015-A1047 HydrophobicContact CD1-CB 3.98Å; I1015-A1047 VanDerWaalsContact CD1-O 3.23Å; I1015-A1047 WeakPolarHBondContact CD1-O 3.19Å; G1043-A1047 WeakPolarHBondContact O-CB 3.16Å; G1043-A1047 PolarHBondContact O-N 3.35Å; V1044-A1047 WeakPolarHBondContact O-CB 3.4Å; V1044-A1047 PolarHBondContact O-N 2.92Å; A1045-A1047 VanDerWaalsContact C-N 3.26Å; A1045-A1047 PolarHBondContact O-N 3.49Å; A1047-A1049 PolarHBondContact O-N 2.89Å
1048	Y	94.5	Very high	93.9	Very high	49 Å²	49	5.2 Å²	5.2	19%	0.192	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	25.4	174.2	-43.4	-73.2	0	0	0	116	I1015 K1019 A1045 K1046 N1236 P1237 P1238 F1239	I1015-Y1048 WeakPolarHBondContact CG2-O 3.42Å; K1019-Y1048 PolarHBondContact NZ-O 2.86Å; A1045-Y1048 PolarHBondContact O-N 2.9Å; K1046-Y1048 PolarHBondContact O-N 3.34Å; Y1048-N1236 WeakPolarHBondContact CA-ND2 3.43Å; Y1048-P1237 VanDerWaalsContact CD1-O 3.24Å; Y1048-P1237 WeakPolarHBondContact CD1-O 3.45Å; Y1048-P1238 HydrophobicContact CD2-CB 3.98Å; Y1048-P1238 HydrophobicContact CE2-CB 4.42Å; Y1048-P1238 HydrophobicContact CG-CB 4.09Å; Y1048-F1239 VanDerWaalsContact OH-CB 3.32Å; Y1048-F1239 WeakPolarHBondContact OH-CB 3.36Å
1049	A	96.7	Very high	93.8	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.029	C	C	.	.			trans	-64.6	150.6	166.2	0	0	0	0	0	110.9	I1015 V1029 V1044 A1047 I1096 N1236	I1015-A1049 HydrophobicContact CD1-CB 4.01Å; V1029-A1049 HydrophobicContact CG2-CB 3.9Å; V1044-A1049 HydrophobicContact CG1-CB 3.63Å; V1044-A1049 WeakPolarHBondContact O-CB 3.43Å; V1044-A1049 PolarHBondContact O-N 2.86Å; A1047-A1049 PolarHBondContact O-N 2.89Å; A1049-I1096 WeakPolarHBondContact O-CD1 3.28Å; A1049-N1236 WeakPolarHBondContact O-CB 3.07Å; A1049-N1236 PolarHBondContact O-ND2 3.35Å
1050	D	97.5	Very high	93.9	Very high	18 Å²	18	7.2 Å²	7.2	10%	0.096	5%	0.046	C	C	.	.	S	Bend	trans	-102.1	-24.3	177.3	-48.3	-72.6	0	0	0	111.9	K1019 M1026 I1027 R1097 N1236	K1019-D1050 WeakPolarHBondContact CE-OD2 3.49Å; K1019-D1050 IonicContact NZ-OD1 3.37Å; K1019-D1050 PolarHBondContact NZ-OD1 2.87Å; K1019-D1050 IonicContact NZ-OD2 2.9Å; K1019-D1050 PolarHBondContact NZ-OD2 3.47Å; M1026-D1050 HydrophobicContact CB-CB 4.13Å; M1026-D1050 HydrophobicContact CG-CB 4.41Å; I1027-D1050 PolarHBondContact N-OD2 3.46Å; I1027-D1050 PolarHBondContact O-N 2.9Å; D1050-R1097 PolarHBondContact O-N 3.01Å; D1050-N1236 PolarHBondContact OD1-N 3.12Å
1051	L	97.3	Very high	94	Very high	6 Å²	6	7.8 Å²	7.8	3%	0.031	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	140	-178.8	-171.7	152.3	0	0	0	110.5	I1027 S1028 V1029 T1053 R1097 Q1099	I1027-L1051 PolarHBondContact O-N 3.08Å; S1028-L1051 CarbonylContact C-O 3.56Å; S1028-L1051 VanDerWaalsContact CA-O 3.26Å; S1028-L1051 WeakPolarHBondContact CA-O 3.31Å; S1028-L1051 VanDerWaalsContact OG-CD2 3.28Å; S1028-L1051 WeakPolarHBondContact OG-CD2 3.26Å; V1029-L1051 PolarHBondContact N-O 3.35Å; L1051-T1053 WeakPolarHBondContact CD2-OG1 3.05Å; L1051-R1097 CarbonylContact C-O 3.55Å; L1051-R1097 VanDerWaalsContact CA-O 3.27Å; L1051-R1097 WeakPolarHBondContact CA-O 3.48Å; L1051-R1097 HydrophobicContact CB-CB 4.33Å; L1051-R1097 HydrophobicContact CD1-CB 4.16Å; L1051-R1097 HydrophobicContact CD1-CG 4.15Å; L1051-R1097 HydrophobicContact CG-CB 4.1Å; L1051-R1097 HydrophobicContact CG-CG 4.43Å; L1051-R1097 WeakPolarHBondContact CG-O 3.24Å; L1051-Q1099 HydrophobicContact CD2-CB 3.92Å
1052	I	98.3	Very high	93.8	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	124.7	172	-60.6	177.9	0	0	0	108.5	V1029 L1031 A1041 V1044 I1054 I1096 R1097 L1098 Q1099	V1029-I1052 WeakPolarHBondContact O-CA 3.4Å; L1031-I1052 HydrophobicContact CD1-CG2 3.94Å; L1031-I1052 HydrophobicContact CG-CG2 4.34Å; A1041-I1052 HydrophobicContact CB-CD1 3.87Å; A1041-I1052 WeakPolarHBondContact O-CD1 2.93Å; V1044-I1052 HydrophobicContact CB-CD1 3.92Å; V1044-I1052 HydrophobicContact CG1-CD1 3.65Å; V1044-I1052 HydrophobicContact CG1-CG1 3.75Å; I1052-I1054 HydrophobicContact CG2-CD1 3.83Å; I1052-I1096 HydrophobicContact CB-CG2 4.16Å; I1052-I1096 HydrophobicContact CD1-CG2 3.85Å; I1052-I1096 HydrophobicContact CG1-CG2 3.75Å; I1052-R1097 PolarHBondContact N-O 3.24Å; I1052-L1098 HydrophobicContact CB-CD2 3.98Å; I1052-Q1099 PolarHBondContact O-N 3.42Å
1053	T	97.8	Very high	93.8	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	117.9	174.4	-54.3	0	0	0	0	108.9	Q960 S1028 V1029 K1030 L1031 L1051 Q1099	Q960-T1053 PolarHBondContact NE2-OG1 2.82Å; S1028-T1053 PolarHBondContact OG-OG1 3.36Å; V1029-T1053 PolarHBondContact O-N 2.84Å; K1030-T1053 HydrophobicContact CD-CG2 4.38Å; K1030-T1053 HydrophobicContact CG-CG2 4.18Å; L1031-T1053 PolarHBondContact N-O 2.67Å; L1051-T1053 WeakPolarHBondContact CD2-OG1 3.05Å; T1053-Q1099 CarbonylContact C-O 3.25Å; T1053-Q1099 WeakPolarHBondContact CA-O 3.41Å; T1053-Q1099 HydrophobicContact CG2-CB 4.33Å; T1053-Q1099 HydrophobicContact CG2-CG 4.01Å; T1053-Q1099 VanDerWaalsContact CG2-OE1 3.31Å; T1053-Q1099 PolarHBondContact OG1-OE1 2.88Å
1054	I	97.9	Very high	93.8	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	113.5	171.2	-55.1	-55.9	0	0	0	108.6	L1031 V1037 I1052 T1083 Q1099 V1100 D1101	L1031-I1054 HydrophobicContact CB-CD1 4.22Å; L1031-I1054 HydrophobicContact CD1-CD1 4.36Å; V1037-I1054 HydrophobicContact CG2-CD1 3.98Å; I1052-I1054 HydrophobicContact CG2-CD1 3.83Å; I1054-T1083 HydrophobicContact CD1-CG2 4.25Å; I1054-T1083 WeakPolarHBondContact CD1-OG1 3.15Å; I1054-T1083 HydrophobicContact CG1-CG2 4.36Å; I1054-Q1099 PolarHBondContact N-O 2.8Å; I1054-V1100 WeakPolarHBondContact O-CA 3.27Å; I1054-V1100 WeakPolarHBondContact O-CG2 3.46Å; I1054-D1101 PolarHBondContact O-N 2.8Å; I1054-D1101 VanDerWaalsContact O-N 3.09Å
1055	A	96.8	Very high	93.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	132.9	177.3	0	0	0	0	0	112.5	L1031 V1032 S1033 D1101	L1031-A1055 WeakPolarHBondContact O-CB 3.17Å; L1031-A1055 PolarHBondContact O-N 3.43Å; V1032-A1055 WeakPolarHBondContact CA-O 3.31Å; V1032-A1055 HydrophobicContact CG2-CB 4.09Å; S1033-A1055 PolarHBondContact N-O 2.86Å; A1055-D1101 CarbonylContact C-O 3.46Å; A1055-D1101 WeakPolarHBondContact CA-O 3.4Å; A1055-D1101 WeakPolarHBondContact CB-OD1 3.4Å
1056	G	95	Very high	93.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.073	C	C	.	.			trans	-79	155.1	170.1	0	0	0	0	0	112.9	G966 D1058 G1059 D1101	G966-G1056 WeakPolarHBondContact CA-O 3.4Å; G1056-D1058 PolarHBondContact O-N 3.28Å; G1056-D1058 VanDerWaalsContact O-N 3.14Å; G1056-G1059 PolarHBondContact O-N 2.86Å; G1056-G1059 VanDerWaalsContact O-N 3.08Å; G1056-D1101 PolarHBondContact N-O 3.29Å
1057	Y	93.7	Very high	93.6	Very high	4 Å²	4	10.9 Å²	10.9	2%	0.016	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-28.8	174.4	80.5	-71.4	0	0	0	114.5	D519 T521 F523 G1059 C1074 P1075	D519-Y1057 HydrophobicContact CB-CD2 3.92Å; D519-Y1057 HydrophobicContact CB-CE2 3.9Å; T521-Y1057 PolarHBondContact O-OH 2.98Å; F523-Y1057 HydrophobicContact CD2-CE1 4.04Å; F523-Y1057 HydrophobicContact CD2-CE2 4.13Å; F523-Y1057 AromaticContact CD2-CZ 3.7Å; F523-Y1057 AromaticContact CE2-CD1 3.78Å; F523-Y1057 HydrophobicContact CE2-CD1 3.78Å; F523-Y1057 AromaticContact CE2-CD2 3.97Å; F523-Y1057 HydrophobicContact CE2-CD2 3.97Å; F523-Y1057 AromaticContact CE2-CE1 3.53Å; F523-Y1057 HydrophobicContact CE2-CE1 3.53Å; F523-Y1057 AromaticContact CE2-CE2 3.72Å; F523-Y1057 HydrophobicContact CE2-CE2 3.72Å; F523-Y1057 AromaticContact CE2-CG 4Å; F523-Y1057 HydrophobicContact CE2-CG 4Å; F523-Y1057 AromaticContact CE2-CZ 3.49Å; F523-Y1057 VanDerWaalsContact CE2-CZ 3.49Å; Y1057-G1059 PolarHBondContact O-N 3.23Å; Y1057-C1074 PolarHBondContact N-O 3.41Å; Y1057-P1075 HydrophobicContact CE1-CG 4.48Å
1058	D	92.7	Very high	93.6	Very high	15 Å²	15	10.9 Å²	10.9	8%	0.08	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	3.9	-179.2	61.6	-15.3	0	0	0	113.4	D519 R862 G1056 G1102 G1103	D519-D1058 WeakPolarHBondContact O-CA 3.29Å; D519-D1058 WeakPolarHBondContact O-CB 3.36Å; R862-D1058 IonicContact NH2-OD2 3.18Å; G1056-D1058 PolarHBondContact O-N 3.28Å; G1056-D1058 VanDerWaalsContact O-N 3.14Å; D1058-G1102 VanDerWaalsContact CG-C 3.43Å; D1058-G1102 WeakPolarHBondContact OD1-CA 3.41Å; D1058-G1102 VanDerWaalsContact OD2-C 3.31Å; D1058-G1103 WeakPolarHBondContact OD2-CA 3.44Å; D1058-G1103 PolarHBondContact OD2-N 3.31Å
1059	G	88.2	Confident	93.6	Very high	9 Å²	9	8.8 Å²	8.8	9%	0.093	7%	0.065	C	C	.	.			trans	-58.1	141	170.9	0	0	0	0	0	113.3	G518 A967 G1056 Y1057	G518-G1059 WeakPolarHBondContact CA-O 3.33Å; A967-G1059 WeakPolarHBondContact CB-O 3.26Å; G1056-G1059 PolarHBondContact O-N 2.86Å; G1056-G1059 VanDerWaalsContact O-N 3.08Å; Y1057-G1059 PolarHBondContact O-N 3.23Å
1060	G	89.2	Confident	93.4	Very high	37 Å²	37	9.5 Å²	9.5	38%	0.381	7%	0.068	S	C	.	.			trans	-73.8	161	-178.9	0	0	0	0	0	115
1061	T	93.1	Very high	93.3	Very high	14 Å²	14	9.3 Å²	9.3	9%	0.086	7%	0.066	C	C	.	.			trans	-148	147.4	169.5	-174	0	0	0	0	112.3	M517 A967 A1063 V1069	M517-T1061 PolarHBondContact N-O 2.88Å; A967-T1061 HydrophobicContact CB-CG2 3.66Å; T1061-A1063 PolarHBondContact OG1-N 2.74Å; T1061-A1063 PolarHBondContact OG1-O 3.22Å; T1061-V1069 HydrophobicContact CG2-CG2 4.29Å
1062	G	90.8	Very high	93.2	Very high	22 Å²	22	9 Å²	9	23%	0.227	6%	0.064	C	C	.	.	S	Bend	trans	-73.8	-34.3	172.4	0	0	0	0	0	113.4	S516 C1139 H1140	S516-G1062 VanDerWaalsContact CB-O 3.26Å; S516-G1062 WeakPolarHBondContact CB-O 3.43Å; G1062-C1139 CarbonylContact O-C 3.54Å; G1062-H1140 PolarHBondContact O-N 3.24Å
1063	A	91.3	Very high	92.9	Very high	2 Å²	2	9 Å²	9	2%	0.017	6%	0.064	C	C	.	.	S	Bend	trans	-156.6	135.5	176.3	0	0	0	0	0	111.2	V514 G515 K968 Q974 P976 T1061 H1140	V514-A1063 HydrophobicContact CG1-CB 4.28Å; G515-A1063 WeakPolarHBondContact O-CA 3.45Å; K968-A1063 WeakPolarHBondContact CE-O 3.32Å; K968-A1063 PolarHBondContact NZ-O 3.44Å; Q974-A1063 HydrophobicContact CB-CB 4.23Å; P976-A1063 HydrophobicContact CG-CB 4.46Å; T1061-A1063 PolarHBondContact OG1-N 2.74Å; T1061-A1063 PolarHBondContact OG1-O 3.22Å; A1063-H1140 HydrophobicContact CB-CB 3.92Å
1064	S	90	Very high	92.6	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	150.1	175.4	-178.8	0	0	0	0	111.2	V514 G515 A967 K968	V514-S1064 CarbonylContact C-O 3.53Å; V514-S1064 WeakPolarHBondContact CA-O 3.41Å; G515-S1064 PolarHBondContact N-O 3.25Å; G515-S1064 PolarHBondContact O-N 3.25Å; G515-S1064 VanDerWaalsContact O-N 3.08Å; A967-S1064 PolarHBondContact O-OG 3.12Å; K968-S1064 WeakPolarHBondContact CB-OG 3.4Å
1065	P	90.1	Very high	92.4	Very high	11 Å²	11	9.2 Å²	9.2	7%	0.071	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	138.9	161.4	-23.6	34.8	0	0	0	111.3	K743 S1067 S1068 V1069	K743-P1065 HydrophobicContact CD-CG 4.24Å; P1065-S1067 PolarHBondContact O-N 2.89Å; P1065-S1068 PolarHBondContact O-N 2.92Å; P1065-V1069 PolarHBondContact O-N 2.64Å
1066	L	91.6	Very high	92.4	Very high	36 Å²	36	9.2 Å²	9.2	19%	0.188	7%	0.066	C	C	.	.	H	α-helix	trans	-63	-38.5	-176.9	-75.4	178.3	0	0	0	113.3	A513 L815 S1068 V1069 K1070	A513-L1066 HydrophobicContact CB-CD1 3.79Å; A513-L1066 HydrophobicContact CB-CG 4.4Å; A513-L1066 PolarHBondContact O-N 3.01Å; L815-L1066 HydrophobicContact CD1-CD1 3.91Å; L815-L1066 HydrophobicContact CD2-CD1 4.37Å; L1066-S1068 PolarHBondContact O-N 3.18Å; L1066-V1069 PolarHBondContact O-N 2.9Å; L1066-K1070 PolarHBondContact O-N 2.84Å
1067	S	91.8	Very high	92.4	Very high	6 Å²	6	9.3 Å²	9.3	4%	0.042	7%	0.066	C	C	.	.	H	α-helix	trans	-59.8	-32.4	177.4	57.4	0	0	0	0	112.5	E512 K743 P1065 Y1071	E512-S1067 VanDerWaalsContact OE1-CB 3.31Å; E512-S1067 WeakPolarHBondContact OE1-CB 3.39Å; E512-S1067 PolarHBondContact OE1-OG 2.85Å; K743-S1067 PolarHBondContact NZ-OG 3.32Å; P1065-S1067 PolarHBondContact O-N 2.89Å; S1067-Y1071 VanDerWaalsContact O-CB 3.31Å; S1067-Y1071 WeakPolarHBondContact O-CB 3.48Å; S1067-Y1071 WeakPolarHBondContact O-CD2 3.5Å; S1067-Y1071 PolarHBondContact O-N 2.95Å
1068	S	92.3	Very high	92.5	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-74.8	-38.4	179	-52.5	0	0	0	0	111.8	K743 K747 A967 E971 P1065 L1066 K1070 A1072	K743-S1068 PolarHBondContact NZ-OG 3.16Å; K747-S1068 PolarHBondContact NZ-OG 3.46Å; A967-S1068 CarbonylContact O-C 3.59Å; A967-S1068 VanDerWaalsContact O-C 3.24Å; E971-S1068 VanDerWaalsContact OE1-CB 3.26Å; E971-S1068 WeakPolarHBondContact OE1-CB 3.36Å; E971-S1068 PolarHBondContact OE1-OG 2.78Å; P1065-S1068 PolarHBondContact O-N 2.92Å; L1066-S1068 PolarHBondContact O-N 3.18Å; S1068-K1070 VanDerWaalsContact C-N 3.34Å; S1068-A1072 WeakPolarHBondContact O-CB 3.27Å; S1068-A1072 PolarHBondContact O-N 2.69Å
1069	V	92.8	Very high	92.6	Very high	5 Å²	5	8.4 Å²	8.4	3%	0.03	6%	0.061	C	C	.	.	H	α-helix	trans	-63.8	-41.7	173.4	-179.4	0	0	0	0	110.7	D519 A967 T1061 P1065 L1066	D519-V1069 HydrophobicContact CB-CG1 4.16Å; A967-V1069 WeakPolarHBondContact O-CA 3.28Å; A967-V1069 PolarHBondContact O-N 3.22Å; T1061-V1069 HydrophobicContact CG2-CG2 4.29Å; P1065-V1069 PolarHBondContact O-N 2.64Å; L1066-V1069 PolarHBondContact O-N 2.9Å
1070	K	93.2	Very high	93	Very high	14 Å²	14	8 Å²	8	6%	0.061	6%	0.057	C	C	.	.	H	α-helix	trans	-87.6	-20.7	-173.5	-72.4	-55.8	-164.5	171	0	116.1	D519 T521 R538 L814 L815 L1066 S1068	D519-K1070 HydrophobicContact CB-CD 4.29Å; D519-K1070 IonicContact OD1-NZ 3.97Å; D519-K1070 PolarHBondContact OD1-NZ 2.66Å; D519-K1070 WeakPolarHBondContact OD2-CD 3.41Å; D519-K1070 IonicContact OD2-NZ 3.43Å; T521-K1070 PolarHBondContact OG1-NZ 3.2Å; R538-K1070 PolarHBondContact NH1-O 2.88Å; L814-K1070 HydrophobicContact CD1-CD 4.49Å; L814-K1070 WeakPolarHBondContact O-CE 3.45Å; L814-K1070 PolarHBondContact O-NZ 3.43Å; L815-K1070 HydrophobicContact CD2-CG 4.21Å; L1066-K1070 PolarHBondContact O-N 2.84Å; S1068-K1070 VanDerWaalsContact C-N 3.34Å
1071	Y	95.5	Very high	93.3	Very high	14 Å²	14	6.4 Å²	6.4	6%	0.055	4%	0.04	C	C	.	.	H	α-helix	trans	-134.3	8.6	-170.8	-49.4	-65.4	0	0	0	115.7	R538 Q539 D689 H691 S1067	R538-Y1071 CarbonylContact C-O 3.45Å; R538-Y1071 WeakPolarHBondContact CA-O 3.37Å; Q539-Y1071 PolarHBondContact N-O 3.08Å; D689-Y1071 VanDerWaalsContact OD2-CE2 3.26Å; D689-Y1071 WeakPolarHBondContact OD2-CE2 3.41Å; D689-Y1071 PolarHBondContact OD2-OH 2.79Å; H691-Y1071 HydrophobicContact CB-CD2 3.42Å; H691-Y1071 VanDerWaalsContact CB-CD2 3.42Å; H691-Y1071 HydrophobicContact CB-CE2 3.79Å; H691-Y1071 HydrophobicContact CB-CG 3.9Å; H691-Y1071 AromaticContact CD2-CD1 3.9Å; H691-Y1071 AromaticContact CD2-CG 3.92Å; H691-Y1071 AromaticContact CG-CD1 3.99Å; H691-Y1071 AromaticContact CG-CD2 3.61Å; H691-Y1071 AromaticContact CG-CG 3.52Å; H691-Y1071 VanDerWaalsContact ND1-CB 3.27Å; H691-Y1071 WeakPolarHBondContact ND1-CB 3.29Å; H691-Y1071 AromaticContact ND1-CG 3.61Å; S1067-Y1071 VanDerWaalsContact O-CB 3.31Å; S1067-Y1071 WeakPolarHBondContact O-CB 3.48Å; S1067-Y1071 WeakPolarHBondContact O-CD2 3.5Å; S1067-Y1071 PolarHBondContact O-N 2.95Å
1072	A	94.2	Very high	93.4	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	4%	0.037	C	C	.	.	B	Isolated β-bridge	trans	-125.7	151	178.1	0	0	0	0	0	111.8	R538 Q539 P969 S1068	R538-A1072 PolarHBondContact NH2-O 3.39Å; Q539-A1072 HydrophobicContact CB-CB 4.28Å; P969-A1072 HydrophobicContact CG-CB 3.75Å; S1068-A1072 WeakPolarHBondContact O-CB 3.27Å; S1068-A1072 PolarHBondContact O-N 2.69Å
1073	G	91.9	Very high	93.6	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.026	C	C	.	.	S	Bend	trans	71.3	159.1	-170.7	0	0	0	0	0	113.3	R538	R538-G1073 PolarHBondContact NE-O 3.01Å; R538-G1073 PolarHBondContact NH2-O 3.33Å
1074	C	93.2	Very high	93.8	Very high	2 Å²	2	5.4 Å²	5.4	1%	0.014	3%	0.028	C	C	.	.			trans	-123.7	171.9	-172.9	-57.4	0	0	0	0	111.9	E763 S1033 Y1057 W1076	E763-C1074 PolarHBondContact OE2-SG 2.89Å; S1033-C1074 VanDerWaalsContact O-CB 3.31Å; S1033-C1074 WeakPolarHBondContact O-CB 3.35Å; S1033-C1074 PolarHBondContact O-N 3.3Å; Y1057-C1074 PolarHBondContact N-O 3.41Å; C1074-W1076 PolarHBondContact O-N 2.9Å
1075	P	93.5	Very high	94	Very high	3 Å²	3	5.5 Å²	5.5	2%	0.019	3%	0.029	C	C	.	.			trans	-53.5	136.7	172.3	-25.9	35.4	0	0	0	111.3	F523 L861 S1033 Y1057 E1077 L1078	F523-P1075 HydrophobicContact CD2-CG 4.06Å; F523-P1075 HydrophobicContact CE2-CG 3.57Å; F523-P1075 HydrophobicContact CZ-CG 4.08Å; L861-P1075 HydrophobicContact CD1-CB 3.81Å; L861-P1075 HydrophobicContact CD1-CG 3.9Å; L861-P1075 HydrophobicContact CG-CB 4.33Å; L861-P1075 HydrophobicContact CG-CG 4.34Å; S1033-P1075 WeakPolarHBondContact CB-O 3.36Å; S1033-P1075 PolarHBondContact OG-O 3.04Å; Y1057-P1075 HydrophobicContact CE1-CG 4.48Å; P1075-E1077 WeakPolarHBondContact CB-OE2 3.26Å; P1075-E1077 PolarHBondContact O-N 3.43Å; P1075-L1078 HydrophobicContact CG-CD1 4.35Å; P1075-L1078 PolarHBondContact O-N 3.45Å
1076	W	95.6	Very high	94.1	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-68	-24.4	177.8	59.6	-108.5	0	0	0	111.8	C1074 L1078 G1079 L1080 V1100 G1102 L1104 A1113 L1116	C1074-W1076 PolarHBondContact O-N 2.9Å; W1076-L1078 VanDerWaalsContact C-N 3.27Å; W1076-L1078 PolarHBondContact O-N 3.29Å; W1076-G1079 PolarHBondContact O-N 2.92Å; W1076-L1080 HydrophobicContact CE3-CB 4.38Å; W1076-L1080 HydrophobicContact CE3-CD2 3.97Å; W1076-L1080 HydrophobicContact CZ3-CD2 3.92Å; W1076-L1080 WeakPolarHBondContact O-CB 3.24Å; W1076-L1080 PolarHBondContact O-N 3.45Å; W1076-V1100 HydrophobicContact CB-CG2 3.67Å; W1076-V1100 HydrophobicContact CD2-CG2 3.61Å; W1076-V1100 HydrophobicContact CE3-CG2 3.71Å; W1076-V1100 HydrophobicContact CG-CG2 3.62Å; W1076-G1102 VanDerWaalsContact CD1-O 3.31Å; W1076-G1102 PolarHBondContact NE1-O 3.21Å; W1076-L1104 HydrophobicContact CH2-CD2 4.44Å; W1076-L1104 HydrophobicContact CZ2-CD2 3.6Å; W1076-A1113 HydrophobicContact CH2-CB 3.83Å; W1076-A1113 HydrophobicContact CZ3-CB 4.05Å; W1076-L1116 HydrophobicContact CZ3-CD1 4.14Å
1077	E	96	Very high	94.1	Very high	1 Å²	1	3.3 Å²	3.3	1%	0.005	2%	0.016	C	C	.	.	H	α-helix	trans	-54.7	-44.8	177.3	-64.9	91.4	146.8	0	0	111.2	L861 R862 P1075 V1081 L1116 L1218	L861-E1077 HydrophobicContact CB-CB 4.36Å; L861-E1077 HydrophobicContact CB-CG 4.25Å; L861-E1077 HydrophobicContact CD1-CB 4.48Å; R862-E1077 HydrophobicContact CB-CG 4.09Å; R862-E1077 WeakPolarHBondContact CB-OE1 2.96Å; R862-E1077 WeakPolarHBondContact CD-OE1 3.44Å; R862-E1077 WeakPolarHBondContact CG-OE1 3.3Å; R862-E1077 IonicContact CZ-OE1 3.02Å; R862-E1077 PolarHBondContact N-OE1 2.81Å; R862-E1077 IonicContact NE-OE1 2.63Å; R862-E1077 IonicContact NH1-OE1 3.82Å; R862-E1077 PolarHBondContact NH1-OE1 2.84Å; R862-E1077 IonicContact NH1-OE2 2.68Å; P1075-E1077 WeakPolarHBondContact CB-OE2 3.26Å; P1075-E1077 PolarHBondContact O-N 3.43Å; E1077-V1081 VanDerWaalsContact O-CG2 3.3Å; E1077-V1081 WeakPolarHBondContact O-CG2 3.41Å; E1077-V1081 PolarHBondContact O-N 3Å; E1077-L1116 HydrophobicContact CG-CD1 4.46Å; E1077-L1218 HydrophobicContact CB-CD2 4.17Å; E1077-L1218 WeakPolarHBondContact O-CD2 3.37Å
1078	L	94.9	Very high	94.2	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-67.4	-52.1	178.1	-67	169.9	0	0	0	111.6	L33 I783 L861 P1075 W1076 L1080 V1081 E1082 L1218	L33-L1078 HydrophobicContact CD1-CD2 3.91Å; L33-L1078 HydrophobicContact CD2-CD2 4.18Å; I783-L1078 HydrophobicContact CG2-CD1 4.4Å; I783-L1078 HydrophobicContact CG2-CD2 3.72Å; L861-L1078 HydrophobicContact CD1-CD1 4.07Å; L861-L1078 HydrophobicContact CD1-CD2 4.37Å; L861-L1078 HydrophobicContact CD1-CG 3.89Å; P1075-L1078 HydrophobicContact CG-CD1 4.35Å; P1075-L1078 PolarHBondContact O-N 3.45Å; W1076-L1078 VanDerWaalsContact C-N 3.27Å; W1076-L1078 PolarHBondContact O-N 3.29Å; L1078-L1080 PolarHBondContact O-N 2.55Å; L1078-V1081 PolarHBondContact O-N 2.96Å; L1078-E1082 VanDerWaalsContact O-CB 3.29Å; L1078-E1082 WeakPolarHBondContact O-CB 3.47Å; L1078-E1082 PolarHBondContact O-N 2.83Å; L1078-L1218 HydrophobicContact CD2-CD2 4.02Å; L1078-L1218 HydrophobicContact CD2-CG 4.49Å
1079	G	94.7	Very high	93.9	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-68.7	-31.9	-176.2	0	0	0	0	0	114	S1033 W1076 T1083	S1033-G1079 WeakPolarHBondContact OG-CA 3.37Å; S1033-G1079 PolarHBondContact OG-N 3.33Å; W1076-G1079 PolarHBondContact O-N 2.92Å; G1079-T1083 WeakPolarHBondContact O-CB 3.31Å; G1079-T1083 PolarHBondContact O-N 2.82Å; G1079-T1083 PolarHBondContact O-OG1 3Å
1080	L	97	Very high	93.5	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-69	-48.6	176.2	177.9	63.3	0	0	0	110.7	W1076 L1078 T1083 Q1084 L1098 V1100 L1116 A1118	W1076-L1080 HydrophobicContact CE3-CB 4.38Å; W1076-L1080 HydrophobicContact CE3-CD2 3.97Å; W1076-L1080 HydrophobicContact CZ3-CD2 3.92Å; W1076-L1080 WeakPolarHBondContact O-CB 3.24Å; W1076-L1080 PolarHBondContact O-N 3.45Å; L1078-L1080 PolarHBondContact O-N 2.55Å; L1080-T1083 PolarHBondContact O-N 3.41Å; L1080-Q1084 WeakPolarHBondContact O-CB 3.24Å; L1080-Q1084 PolarHBondContact O-N 3.03Å; L1080-L1098 HydrophobicContact CD1-CD1 4.32Å; L1080-V1100 HydrophobicContact CD2-CB 4.33Å; L1080-V1100 HydrophobicContact CD2-CG1 4.42Å; L1080-V1100 HydrophobicContact CD2-CG2 4.43Å; L1080-L1116 HydrophobicContact CD2-CB 4.02Å; L1080-A1118 HydrophobicContact CD1-CB 4.14Å; L1080-A1118 HydrophobicContact CD2-CB 3.99Å
1081	V	96	Very high	93.3	Very high	5 Å²	5	3.9 Å²	3.9	3%	0.03	2%	0.024	C	C	.	.	H	α-helix	trans	-65	-43.7	177.6	174.4	0	0	0	0	110.8	L33 E1077 L1078 T1083 Q1084 Q1085 L1116 L1218	L33-V1081 HydrophobicContact CD1-CB 4.07Å; L33-V1081 HydrophobicContact CD1-CG1 3.92Å; E1077-V1081 VanDerWaalsContact O-CG2 3.3Å; E1077-V1081 WeakPolarHBondContact O-CG2 3.41Å; E1077-V1081 PolarHBondContact O-N 3Å; L1078-V1081 PolarHBondContact O-N 2.96Å; V1081-T1083 VanDerWaalsContact C-N 3.29Å; V1081-T1083 PolarHBondContact O-N 3.33Å; V1081-Q1084 PolarHBondContact O-N 3.27Å; V1081-Q1085 HydrophobicContact CG1-CG 4.13Å; V1081-Q1085 VanDerWaalsContact CG1-NE2 3.33Å; V1081-Q1085 WeakPolarHBondContact O-CB 3.48Å; V1081-Q1085 VanDerWaalsContact O-CG 3.31Å; V1081-Q1085 WeakPolarHBondContact O-CG 3.48Å; V1081-Q1085 PolarHBondContact O-N 3.39Å; V1081-L1116 HydrophobicContact CG2-CB 3.86Å; V1081-L1116 HydrophobicContact CG2-CD1 4.49Å; V1081-L1116 HydrophobicContact CG2-CD2 3.68Å; V1081-L1116 HydrophobicContact CG2-CG 4.19Å; V1081-L1218 HydrophobicContact CB-CD2 4.25Å; V1081-L1218 HydrophobicContact CG2-CD2 3.91Å
1082	E	94.8	Very high	93.1	Very high	3 Å²	3	4 Å²	4	1%	0.014	3%	0.025	C	C	.	.	H	α-helix	trans	-58.1	-42.9	174.9	-165.8	-163.6	131.6	0	0	111.3	L33 R782 G1036 V1037 G1038 L1078 A1086	L33-E1082 HydrophobicContact CB-CB 4.5Å; R782-E1082 IonicContact CZ-OE2 2.69Å; R782-E1082 IonicContact NH1-OE2 3.93Å; R782-E1082 PolarHBondContact NH1-OE2 3.26Å; G1036-E1082 WeakPolarHBondContact CA-OE1 3.33Å; G1036-E1082 PolarHBondContact N-OE1 2.85Å; G1036-E1082 PolarHBondContact N-OE2 3.03Å; V1037-E1082 PolarHBondContact N-OE1 3.39Å; V1037-E1082 VanDerWaalsContact N-OE1 3.08Å; G1038-E1082 PolarHBondContact N-OE1 2.98Å; L1078-E1082 VanDerWaalsContact O-CB 3.29Å; L1078-E1082 WeakPolarHBondContact O-CB 3.47Å; L1078-E1082 PolarHBondContact O-N 2.83Å; E1082-A1086 WeakPolarHBondContact O-CB 3.44Å; E1082-A1086 PolarHBondContact O-N 3.32Å
1083	T	95.4	Very high	93.1	Very high	0 Å²	0	4 Å²	4	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-66.7	-42.5	176.6	-62.2	0	0	0	0	112.7	A1041 I1054 G1079 L1080 V1081 L1087 L1098	A1041-T1083 HydrophobicContact CB-CG2 3.61Å; I1054-T1083 HydrophobicContact CD1-CG2 4.25Å; I1054-T1083 WeakPolarHBondContact CD1-OG1 3.15Å; I1054-T1083 HydrophobicContact CG1-CG2 4.36Å; G1079-T1083 WeakPolarHBondContact O-CB 3.31Å; G1079-T1083 PolarHBondContact O-N 2.82Å; G1079-T1083 PolarHBondContact O-OG1 3Å; L1080-T1083 PolarHBondContact O-N 3.41Å; V1081-T1083 VanDerWaalsContact C-N 3.29Å; V1081-T1083 PolarHBondContact O-N 3.33Å; T1083-L1087 HydrophobicContact CG2-CD1 3.72Å; T1083-L1087 HydrophobicContact CG2-CG 4.34Å; T1083-L1087 WeakPolarHBondContact O-CB 3.46Å; T1083-L1087 WeakPolarHBondContact O-CG 3.27Å; T1083-L1087 PolarHBondContact O-N 2.91Å; T1083-L1098 HydrophobicContact CG2-CD1 3.94Å; T1083-L1098 HydrophobicContact CG2-CD2 3.63Å; T1083-L1098 HydrophobicContact CG2-CG 4.47Å
1084	Q	96	Very high	93.2	Very high	13 Å²	13	4.7 Å²	4.7	6%	0.061	3%	0.029	C	C	.	.	H	α-helix	trans	-60.7	-53.4	175.4	179.9	66.5	13.2	0	0	110.3	L1080 V1081 A1086 L1087 V1088 L1098 G1117 L1230	L1080-Q1084 WeakPolarHBondContact O-CB 3.24Å; L1080-Q1084 PolarHBondContact O-N 3.03Å; V1081-Q1084 PolarHBondContact O-N 3.27Å; Q1084-A1086 PolarHBondContact O-N 2.92Å; Q1084-L1087 PolarHBondContact O-N 3.32Å; Q1084-V1088 WeakPolarHBondContact O-CB 3.36Å; Q1084-V1088 WeakPolarHBondContact O-CG2 3.43Å; Q1084-V1088 PolarHBondContact O-N 2.98Å; Q1084-L1098 HydrophobicContact CB-CD1 4.49Å; Q1084-G1117 PolarHBondContact OE1-O 2.81Å; Q1084-L1230 PolarHBondContact NE2-O 3.21Å; Q1084-L1230 VanDerWaalsContact NE2-O 3.14Å
1085	Q	93.6	Very high	93.2	Very high	3 Å²	3	7.5 Å²	7.5	1%	0.014	4%	0.041	C	C	.	.	H	α-helix	trans	-58	-48	178.3	-72.4	172.9	-5	0	0	111.1	M32 V1081 V1088 A1089 K1217 E1220 A1222	M32-Q1085 HydrophobicContact SD-CB 4.3Å; M32-Q1085 HydrophobicContact SD-CG 4.28Å; V1081-Q1085 HydrophobicContact CG1-CG 4.13Å; V1081-Q1085 VanDerWaalsContact CG1-NE2 3.33Å; V1081-Q1085 WeakPolarHBondContact O-CB 3.48Å; V1081-Q1085 VanDerWaalsContact O-CG 3.31Å; V1081-Q1085 WeakPolarHBondContact O-CG 3.48Å; V1081-Q1085 PolarHBondContact O-N 3.39Å; Q1085-V1088 PolarHBondContact O-N 3.46Å; Q1085-A1089 WeakPolarHBondContact O-CB 3.36Å; Q1085-A1089 PolarHBondContact O-N 2.87Å; Q1085-K1217 PolarHBondContact NE2-O 2.83Å; Q1085-E1220 PolarHBondContact NE2-O 2.89Å; Q1085-A1222 HydrophobicContact CB-CB 4.4Å; Q1085-A1222 HydrophobicContact CG-CB 4.39Å
1086	A	91.3	Very high	93.4	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-62.3	-50.3	180	0	0	0	0	0	112.5	Y34 G1038 T1042 E1082 Q1084 V1088 A1089 N1090	Y34-A1086 HydrophobicContact CD1-CB 4.17Å; Y34-A1086 HydrophobicContact CD2-CB 3.59Å; Y34-A1086 HydrophobicContact CE1-CB 4.33Å; Y34-A1086 HydrophobicContact CE2-CB 3.81Å; Y34-A1086 HydrophobicContact CG-CB 3.79Å; G1038-A1086 VanDerWaalsContact C-CB 3.49Å; G1038-A1086 WeakPolarHBondContact O-CB 3.41Å; T1042-A1086 HydrophobicContact CG2-CB 3.9Å; E1082-A1086 WeakPolarHBondContact O-CB 3.44Å; E1082-A1086 PolarHBondContact O-N 3.32Å; Q1084-A1086 PolarHBondContact O-N 2.92Å; A1086-V1088 VanDerWaalsContact C-N 3.34Å; A1086-V1088 PolarHBondContact O-N 2.87Å; A1086-A1089 PolarHBondContact O-N 3.49Å; A1086-N1090 VanDerWaalsContact O-CB 3.24Å; A1086-N1090 WeakPolarHBondContact O-CB 3.38Å; A1086-N1090 PolarHBondContact O-N 3.43Å; A1086-N1090 PolarHBondContact O-ND2 2.89Å
1087	L	93	Very high	93.4	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-67.2	-32.8	-178.9	-73.4	172.4	0	0	0	112.9	T1042 A1045 T1083 Q1084 G1091 L1092 R1093 I1096 L1098	T1042-L1087 HydrophobicContact CG2-CD2 4.18Å; A1045-L1087 HydrophobicContact CB-CD2 3.81Å; T1083-L1087 HydrophobicContact CG2-CD1 3.72Å; T1083-L1087 HydrophobicContact CG2-CG 4.34Å; T1083-L1087 WeakPolarHBondContact O-CB 3.46Å; T1083-L1087 WeakPolarHBondContact O-CG 3.27Å; T1083-L1087 PolarHBondContact O-N 2.91Å; Q1084-L1087 PolarHBondContact O-N 3.32Å; L1087-G1091 PolarHBondContact O-N 3.38Å; L1087-L1092 HydrophobicContact CD2-CB 3.96Å; L1087-L1092 PolarHBondContact O-N 2.83Å; L1087-R1093 HydrophobicContact CB-CB 3.88Å; L1087-R1093 HydrophobicContact CB-CG 4.47Å; L1087-R1093 PolarHBondContact O-N 3.04Å; L1087-I1096 HydrophobicContact CD1-CB 4.39Å; L1087-I1096 HydrophobicContact CD1-CG2 4.16Å; L1087-I1096 HydrophobicContact CD2-CG1 4.47Å; L1087-L1098 HydrophobicContact CD1-CD1 4.32Å; L1087-L1098 HydrophobicContact CD1-CD2 3.76Å; L1087-L1098 HydrophobicContact CD1-CG 4.31Å
1088	V	92.5	Very high	93.5	Very high	3 Å²	3	10.9 Å²	10.9	2%	0.018	5%	0.053	C	C	.	.	H	α-helix	trans	-73.4	-49.3	176.1	174	0	0	0	0	110.5	Q1084 Q1085 A1086 N1090 G1091 R1093 A1222 E1223 P1224 L1230	Q1084-V1088 WeakPolarHBondContact O-CB 3.36Å; Q1084-V1088 WeakPolarHBondContact O-CG2 3.43Å; Q1084-V1088 PolarHBondContact O-N 2.98Å; Q1085-V1088 PolarHBondContact O-N 3.46Å; A1086-V1088 VanDerWaalsContact C-N 3.34Å; A1086-V1088 PolarHBondContact O-N 2.87Å; V1088-N1090 VanDerWaalsContact C-N 3.26Å; V1088-N1090 PolarHBondContact O-N 3.41Å; V1088-G1091 WeakPolarHBondContact O-CA 3.33Å; V1088-G1091 PolarHBondContact O-N 2.61Å; V1088-R1093 HydrophobicContact CG2-CB 3.67Å; V1088-R1093 HydrophobicContact CG2-CG 3.7Å; V1088-A1222 HydrophobicContact CB-CB 4.1Å; V1088-A1222 HydrophobicContact CG1-CB 3.94Å; V1088-A1222 WeakPolarHBondContact CG1-O 3.37Å; V1088-E1223 WeakPolarHBondContact CG1-O 3.29Å; V1088-P1224 HydrophobicContact CG1-CB 4.14Å; V1088-L1230 HydrophobicContact CG1-CD2 3.86Å; V1088-L1230 HydrophobicContact CG2-CD2 3.83Å
1089	A	87.3	Confident	93.7	Very high	27 Å²	27	11.2 Å²	11.2	22%	0.223	6%	0.055	C	C	.	.	H	α-helix	trans	-61.5	-32.6	178.6	0	0	0	0	0	113	Y34 Q1085 A1086 G1091 H1225	Y34-A1089 HydrophobicContact CD1-CB 4.28Å; Y34-A1089 HydrophobicContact CE1-CB 4.16Å; Q1085-A1089 WeakPolarHBondContact O-CB 3.36Å; Q1085-A1089 PolarHBondContact O-N 2.87Å; A1086-A1089 PolarHBondContact O-N 3.49Å; A1089-G1091 VanDerWaalsContact C-N 3.32Å; A1089-H1225 PolarHBondContact O-NE2 3.45Å
1090	N	84.4	Confident	93.8	Very high	4 Å²	4	11.2 Å²	11.2	2%	0.021	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	2.6	174.3	-73.7	-87.6	0	0	0	113.4	Y34 T253 T1042 A1086 V1088 L1092	Y34-N1090 PolarHBondContact OH-ND2 3.5Å; T253-N1090 WeakPolarHBondContact CB-OD1 3.41Å; T253-N1090 HydrophobicContact CG2-CB 3.8Å; T253-N1090 PolarHBondContact N-OD1 2.93Å; T253-N1090 VanDerWaalsContact OG1-CA 3.23Å; T253-N1090 WeakPolarHBondContact OG1-CA 3.11Å; T253-N1090 WeakPolarHBondContact OG1-CB 3.36Å; T253-N1090 VanDerWaalsContact OG1-CG 3.29Å; T253-N1090 PolarHBondContact OG1-O 3.14Å; T253-N1090 PolarHBondContact OG1-OD1 3.27Å; T1042-N1090 HydrophobicContact CG2-CB 4.16Å; A1086-N1090 VanDerWaalsContact O-CB 3.24Å; A1086-N1090 WeakPolarHBondContact O-CB 3.38Å; A1086-N1090 PolarHBondContact O-N 3.43Å; A1086-N1090 PolarHBondContact O-ND2 2.89Å; V1088-N1090 VanDerWaalsContact C-N 3.26Å; V1088-N1090 PolarHBondContact O-N 3.41Å; N1090-L1092 VanDerWaalsContact C-N 3.31Å; N1090-L1092 HydrophobicContact CB-CD1 4.28Å; N1090-L1092 PolarHBondContact O-N 3.39Å
1091	G	88.2	Confident	93.7	Very high	3 Å²	3	11.6 Å²	11.6	3%	0.031	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	32.9	175.2	0	0	0	0	0	114.3	L1087 V1088 A1089 H1094 K1228	L1087-G1091 PolarHBondContact O-N 3.38Å; V1088-G1091 WeakPolarHBondContact O-CA 3.33Å; V1088-G1091 PolarHBondContact O-N 2.61Å; A1089-G1091 VanDerWaalsContact C-N 3.32Å; G1091-H1094 PolarHBondContact O-CE1 3.49Å; G1091-H1094 PolarHBondContact O-ND1 2.75Å; G1091-K1228 VanDerWaalsContact O-CD 3.32Å; G1091-K1228 WeakPolarHBondContact O-CD 3.36Å; G1091-K1228 PolarHBondContact O-NZ 3.3Å
1092	L	91	Very high	93.5	Very high	16 Å²	16	11.6 Å²	11.6	8%	0.084	6%	0.057	C	C	.	.			trans	-111.7	-19.8	-178.8	-71.4	168.5	0	0	0	113.4	T253 A1045 K1046 L1087 N1090 H1094 K1095	T253-L1092 HydrophobicContact CG2-CD1 3.61Å; T253-L1092 HydrophobicContact CG2-CG 4.13Å; A1045-L1092 HydrophobicContact CB-CB 4.34Å; A1045-L1092 HydrophobicContact CB-CD1 4.16Å; K1046-L1092 HydrophobicContact CG-CD1 4.1Å; L1087-L1092 HydrophobicContact CD2-CB 3.96Å; L1087-L1092 PolarHBondContact O-N 2.83Å; N1090-L1092 VanDerWaalsContact C-N 3.31Å; N1090-L1092 HydrophobicContact CB-CD1 4.28Å; N1090-L1092 PolarHBondContact O-N 3.39Å; L1092-H1094 VanDerWaalsContact C-N 3.27Å; L1092-H1094 PolarHBondContact O-N 3.16Å; L1092-H1094 VanDerWaalsContact O-N 3.09Å; L1092-K1095 PolarHBondContact O-N 3.26Å
1093	R	94.2	Very high	93.4	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.008	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-52.6	-36.9	-171.2	-174.8	60.5	-176.3	78	2.4	115.4	L1087 V1088 K1095 I1096 L1098 G1117 E1119 L1230	L1087-R1093 HydrophobicContact CB-CB 3.88Å; L1087-R1093 HydrophobicContact CB-CG 4.47Å; L1087-R1093 PolarHBondContact O-N 3.04Å; V1088-R1093 HydrophobicContact CG2-CB 3.67Å; V1088-R1093 HydrophobicContact CG2-CG 3.7Å; R1093-K1095 PolarHBondContact O-N 3.11Å; R1093-K1095 VanDerWaalsContact O-N 3.16Å; R1093-I1096 PolarHBondContact NH1-O 2.66Å; R1093-I1096 PolarHBondContact O-N 3.47Å; R1093-I1096 VanDerWaalsContact O-O 3.11Å; R1093-L1098 VanDerWaalsContact NE-CD1 3.35Å; R1093-G1117 PolarHBondContact NH2-O 2.94Å; R1093-E1119 IonicContact CZ-OE1 3.81Å; R1093-E1119 VanDerWaalsContact CZ-OE1 3.27Å; R1093-E1119 IonicContact NH1-OE1 2.71Å; R1093-E1119 PolarHBondContact NH1-OE1 2.86Å; R1093-E1119 IonicContact NH2-OE1 2.98Å; R1093-E1119 PolarHBondContact NH2-OE1 3.21Å; R1093-L1230 WeakPolarHBondContact CG-O 3.3Å; R1093-L1230 PolarHBondContact NE-O 3.23Å
1094	H	94.3	Very high	93.4	Very high	14 Å²	14	12.3 Å²	12.3	7%	0.065	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-59.1	-17.5	177	67.1	-59.6	0	0	0	115.8	G1091 L1092 A1229 Y1231 C1232 T1233 E1234	G1091-H1094 PolarHBondContact O-CE1 3.49Å; G1091-H1094 PolarHBondContact O-ND1 2.75Å; L1092-H1094 VanDerWaalsContact C-N 3.27Å; L1092-H1094 PolarHBondContact O-N 3.16Å; L1092-H1094 VanDerWaalsContact O-N 3.09Å; H1094-A1229 HydrophobicContact CB-CB 4.34Å; H1094-Y1231 WeakPolarHBondContact CA-O 3.48Å; H1094-C1232 WeakPolarHBondContact O-CA 3.29Å; H1094-T1233 PolarHBondContact O-N 2.99Å; H1094-E1234 IonicContact CD2-OE1 3.78Å; H1094-E1234 IonicContact CD2-OE2 2.8Å; H1094-E1234 IonicContact NE2-OE2 3.1Å; H1094-E1234 PolarHBondContact O-N 3.17Å; H1094-E1234 VanDerWaalsContact O-N 3.08Å
1095	K	94	Very high	93.4	Very high	60 Å²	60	11.9 Å²	11.9	26%	0.261	6%	0.063	S	C	.	.	G	3₁₀ helix	trans	-101.5	-4.4	179.8	-60.7	-170.8	175.3	-170.8	0	114.9	L1092 R1093 E1234 N1236	L1092-K1095 PolarHBondContact O-N 3.26Å; R1093-K1095 PolarHBondContact O-N 3.11Å; R1093-K1095 VanDerWaalsContact O-N 3.16Å; K1095-E1234 WeakPolarHBondContact CA-O 3.49Å; K1095-E1234 HydrophobicContact CG-CB 4.43Å; K1095-N1236 HydrophobicContact CB-CB 4.22Å
1096	I	96.4	Very high	93.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.062	C	C	.	.			trans	-125.7	123.9	-168.6	-58.2	-62.3	0	0	0	108.5	A1045 A1049 I1052 L1087 R1093 L1098 C1232	A1045-I1096 HydrophobicContact CB-CD1 3.54Å; A1045-I1096 HydrophobicContact CB-CG1 3.61Å; A1049-I1096 WeakPolarHBondContact O-CD1 3.28Å; I1052-I1096 HydrophobicContact CB-CG2 4.16Å; I1052-I1096 HydrophobicContact CD1-CG2 3.85Å; I1052-I1096 HydrophobicContact CG1-CG2 3.75Å; L1087-I1096 HydrophobicContact CD1-CB 4.39Å; L1087-I1096 HydrophobicContact CD1-CG2 4.16Å; L1087-I1096 HydrophobicContact CD2-CG1 4.47Å; R1093-I1096 PolarHBondContact NH1-O 2.66Å; R1093-I1096 PolarHBondContact O-N 3.47Å; R1093-I1096 VanDerWaalsContact O-O 3.11Å; I1096-L1098 HydrophobicContact CG2-CD2 4.01Å; I1096-C1232 WeakPolarHBondContact O-CB 3.37Å
1097	R	97.2	Very high	93.8	Very high	76 Å²	76	11.8 Å²	11.8	29%	0.287	6%	0.062	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	126.1	164.7	-173.5	169.1	-66.3	157.1	8.5	109.2	D1050 L1051 I1052 E1119 C1232	D1050-R1097 PolarHBondContact O-N 3.01Å; L1051-R1097 CarbonylContact C-O 3.55Å; L1051-R1097 VanDerWaalsContact CA-O 3.27Å; L1051-R1097 WeakPolarHBondContact CA-O 3.48Å; L1051-R1097 HydrophobicContact CB-CB 4.33Å; L1051-R1097 HydrophobicContact CD1-CB 4.16Å; L1051-R1097 HydrophobicContact CD1-CG 4.15Å; L1051-R1097 HydrophobicContact CG-CB 4.1Å; L1051-R1097 HydrophobicContact CG-CG 4.43Å; L1051-R1097 WeakPolarHBondContact CG-O 3.24Å; I1052-R1097 PolarHBondContact N-O 3.24Å; R1097-E1119 HydrophobicContact CG-CB 3.78Å; R1097-E1119 IonicContact NE-OE2 3.3Å; R1097-C1232 HydrophobicContact CB-CB 4.13Å
1098	L	97.9	Very high	94	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	129.5	170.5	-68.8	-173.9	0	0	0	111	I1052 L1080 T1083 Q1084 L1087 R1093 I1096 E1119 S1120	I1052-L1098 HydrophobicContact CB-CD2 3.98Å; L1080-L1098 HydrophobicContact CD1-CD1 4.32Å; T1083-L1098 HydrophobicContact CG2-CD1 3.94Å; T1083-L1098 HydrophobicContact CG2-CD2 3.63Å; T1083-L1098 HydrophobicContact CG2-CG 4.47Å; Q1084-L1098 HydrophobicContact CB-CD1 4.49Å; L1087-L1098 HydrophobicContact CD1-CD1 4.32Å; L1087-L1098 HydrophobicContact CD1-CD2 3.76Å; L1087-L1098 HydrophobicContact CD1-CG 4.31Å; R1093-L1098 VanDerWaalsContact NE-CD1 3.35Å; I1096-L1098 HydrophobicContact CG2-CD2 4.01Å; L1098-E1119 PolarHBondContact O-N 3.5Å; L1098-S1120 PolarHBondContact O-N 2.72Å
1099	Q	97.7	Very high	94.2	Very high	6 Å²	6	12.9 Å²	12.9	3%	0.028	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	147.7	169.4	178.3	175.8	88.6	0	0	109.6	D890 L1051 I1052 T1053 I1054 S1120	D890-Q1099 PolarHBondContact OD2-NE2 3.04Å; L1051-Q1099 HydrophobicContact CD2-CB 3.92Å; I1052-Q1099 PolarHBondContact O-N 3.42Å; T1053-Q1099 CarbonylContact C-O 3.25Å; T1053-Q1099 WeakPolarHBondContact CA-O 3.41Å; T1053-Q1099 HydrophobicContact CG2-CB 4.33Å; T1053-Q1099 HydrophobicContact CG2-CG 4.01Å; T1053-Q1099 VanDerWaalsContact CG2-OE1 3.31Å; T1053-Q1099 PolarHBondContact OG1-OE1 2.88Å; I1054-Q1099 PolarHBondContact N-O 2.8Å; Q1099-S1120 VanDerWaalsContact CA-O 3.25Å; Q1099-S1120 WeakPolarHBondContact CA-O 3.37Å; Q1099-S1120 PolarHBondContact NE2-OG 3.01Å
1100	V	97.7	Very high	94.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	140.5	169.5	65.8	0	0	0	0	111	I1054 W1076 L1080 L1104 A1113 A1118 S1120 F1121 G1122	I1054-V1100 WeakPolarHBondContact O-CA 3.27Å; I1054-V1100 WeakPolarHBondContact O-CG2 3.46Å; W1076-V1100 HydrophobicContact CB-CG2 3.67Å; W1076-V1100 HydrophobicContact CD2-CG2 3.61Å; W1076-V1100 HydrophobicContact CE3-CG2 3.71Å; W1076-V1100 HydrophobicContact CG-CG2 3.62Å; L1080-V1100 HydrophobicContact CD2-CB 4.33Å; L1080-V1100 HydrophobicContact CD2-CG1 4.42Å; L1080-V1100 HydrophobicContact CD2-CG2 4.43Å; V1100-L1104 HydrophobicContact CG1-CD1 4.28Å; V1100-A1113 HydrophobicContact CG1-CB 3.81Å; V1100-A1118 HydrophobicContact CB-CB 4.33Å; V1100-A1118 HydrophobicContact CG1-CB 3.76Å; V1100-S1120 PolarHBondContact N-O 2.87Å; V1100-F1121 HydrophobicContact CG1-CD1 4.1Å; V1100-F1121 WeakPolarHBondContact O-CA 3.31Å; V1100-G1122 PolarHBondContact O-N 3.01Å
1101	D	95.2	Very high	95.3	Very high	9 Å²	9	11.4 Å²	11.4	5%	0.048	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	159.7	163.3	74.4	35.4	0	0	0	111.9	K1030 I1054 A1055 G1056 G1122	K1030-D1101 IonicContact NZ-OD1 2.76Å; K1030-D1101 PolarHBondContact NZ-OD1 3.12Å; K1030-D1101 IonicContact NZ-OD2 3.88Å; K1030-D1101 PolarHBondContact NZ-OD2 2.9Å; I1054-D1101 PolarHBondContact O-N 2.8Å; I1054-D1101 VanDerWaalsContact O-N 3.09Å; A1055-D1101 CarbonylContact C-O 3.46Å; A1055-D1101 WeakPolarHBondContact CA-O 3.4Å; A1055-D1101 WeakPolarHBondContact CB-OD1 3.4Å; G1056-D1101 PolarHBondContact N-O 3.29Å; D1101-G1122 VanDerWaalsContact CB-O 3.28Å; D1101-G1122 WeakPolarHBondContact CB-O 3.36Å
1102	G	91.8	Very high	95.7	Very high	4 Å²	4	12.1 Å²	12.1	4%	0.041	6%	0.059	C	C	.	.	S	Bend	trans	127.7	103.4	-171.4	0	0	0	0	0	111.8	D1058 W1076 L1104	D1058-G1102 VanDerWaalsContact CG-C 3.43Å; D1058-G1102 WeakPolarHBondContact OD1-CA 3.41Å; D1058-G1102 VanDerWaalsContact OD2-C 3.31Å; W1076-G1102 VanDerWaalsContact CD1-O 3.31Å; W1076-G1102 PolarHBondContact NE1-O 3.21Å; G1102-L1104 PolarHBondContact O-N 2.98Å
1103	G	91.5	Very high	96.1	Very high	14 Å²	14	11.4 Å²	11.4	14%	0.144	6%	0.055	C	C	.	.	S	Bend	trans	51.8	20	172.1	0	0	0	0	0	118.3	R862 D1058 K1105	R862-G1103 PolarHBondContact NH2-O 3.36Å; D1058-G1103 WeakPolarHBondContact OD2-CA 3.44Å; D1058-G1103 PolarHBondContact OD2-N 3.31Å; G1103-K1105 PolarHBondContact O-NZ 2.79Å
1104	L	95.8	Very high	96.2	Very high	5 Å²	5	11.3 Å²	11.3	3%	0.026	6%	0.055	C	C	.	.			trans	-66	134.9	172.6	-51.6	178.6	0	0	0	110.2	W1076 V1100 G1102 D1109 I1110 F1121 F1123	W1076-L1104 HydrophobicContact CH2-CD2 4.44Å; W1076-L1104 HydrophobicContact CZ2-CD2 3.6Å; V1100-L1104 HydrophobicContact CG1-CD1 4.28Å; G1102-L1104 PolarHBondContact O-N 2.98Å; L1104-D1109 HydrophobicContact CB-CB 4.44Å; L1104-D1109 HydrophobicContact CD2-CB 3.97Å; L1104-I1110 HydrophobicContact CD1-CD1 4.37Å; L1104-F1121 HydrophobicContact CD1-CB 3.93Å; L1104-F1121 HydrophobicContact CD1-CD1 4.48Å; L1104-F1123 HydrophobicContact CB-CD1 4Å; L1104-F1123 HydrophobicContact CB-CE1 3.99Å
1105	K	95.8	Very high	96.4	Very high	4 Å²	4	10.6 Å²	10.6	2%	0.017	5%	0.052	C	C	.	.			trans	-136.7	-39.9	-171	-71.2	176.4	-160.8	75.9	0	114.2	Y826 Y849 V853 G1103 D1109 Y1170	Y826-K1105 HydrophobicContact CE1-CD 4.43Å; Y849-K1105 WeakPolarHBondContact OH-CB 3.49Å; Y849-K1105 PolarHBondContact OH-O 2.82Å; V853-K1105 HydrophobicContact CG1-CB 3.74Å; V853-K1105 HydrophobicContact CG1-CD 3.76Å; V853-K1105 HydrophobicContact CG1-CG 4.4Å; V853-K1105 HydrophobicContact CG2-CD 4.22Å; G1103-K1105 PolarHBondContact O-NZ 2.79Å; K1105-D1109 PolarHBondContact N-OD2 2.93Å; K1105-Y1170 PolarHBondContact O-OH 2.75Å
1106	T	97.2	Very high	96.5	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.041	C	C	.	.	S	Bend	trans	-130.8	168	-171.5	54.2	0	0	0	0	112.4	Y849 A850 V853 N854 V1108 D1109 I1110 E1177	Y849-T1106 HydrophobicContact CE1-CG2 4.09Å; A850-T1106 HydrophobicContact CB-CG2 3.94Å; V853-T1106 HydrophobicContact CB-CG2 3.95Å; V853-T1106 HydrophobicContact CG1-CG2 3.74Å; N854-T1106 WeakPolarHBondContact OD1-CB 3.34Å; N854-T1106 PolarHBondContact OD1-OG1 3.16Å; T1106-V1108 PolarHBondContact O-N 2.81Å; T1106-D1109 PolarHBondContact N-OD2 3.31Å; T1106-D1109 WeakPolarHBondContact O-CB 3.3Å; T1106-D1109 PolarHBondContact O-N 2.62Å; T1106-D1109 VanDerWaalsContact O-N 3.1Å; T1106-I1110 PolarHBondContact O-N 3.39Å; T1106-E1177 WeakPolarHBondContact CB-OE2 3.35Å
1107	G	96.6	Very high	96.5	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-58.3	-29.4	171.4	0	0	0	0	0	113.4	D1109 I1110 I1111 E1177 T1178	G1107-D1109 PolarHBondContact O-N 2.88Å; G1107-I1110 WeakPolarHBondContact O-CB 3.4Å; G1107-I1110 PolarHBondContact O-N 2.84Å; G1107-I1110 VanDerWaalsContact O-N 3.14Å; G1107-I1111 WeakPolarHBondContact O-CG1 3.5Å; G1107-I1111 PolarHBondContact O-N 3.23Å; G1107-E1177 WeakPolarHBondContact CA-OE2 3.4Å; G1107-E1177 PolarHBondContact N-OE2 3.42Å; G1107-T1178 WeakPolarHBondContact CA-OG1 3.27Å
1108	V	97	Very high	96.5	Very high	22 Å²	22	4.4 Å²	4.4	13%	0.133	3%	0.027	C	C	.	.	H	α-helix	trans	-62	-40.7	172.5	173.8	0	0	0	0	112.1	N854 I867 T1106 I1110 K1112 L1181	N854-V1108 WeakPolarHBondContact ND2-CG2 3.33Å; I867-V1108 HydrophobicContact CD1-CG1 4.16Å; T1106-V1108 PolarHBondContact O-N 2.81Å; V1108-I1110 VanDerWaalsContact C-N 3.26Å; V1108-I1110 PolarHBondContact O-N 2.98Å; V1108-K1112 HydrophobicContact CG1-CD 4.09Å; V1108-K1112 WeakPolarHBondContact O-CG 3.07Å; V1108-K1112 PolarHBondContact O-N 3.22Å; V1108-K1112 VanDerWaalsContact O-N 3.12Å; V1108-L1181 HydrophobicContact CB-CD1 4.47Å; V1108-L1181 HydrophobicContact CG2-CD1 3.73Å
1109	D	97.2	Very high	96.4	Very high	4 Å²	4	4.5 Å²	4.5	2%	0.021	3%	0.028	C	C	.	.	H	α-helix	trans	-61.7	-37.8	174.1	-70.1	-52.4	0	0	0	110.8	R856 R862 L1104 K1105 T1106 G1107 A1113	R856-D1109 IonicContact NH2-OD1 2.78Å; R862-D1109 WeakPolarHBondContact CD-OD1 3.35Å; R862-D1109 IonicContact CZ-OD1 2.71Å; R862-D1109 IonicContact NE-OD1 3.82Å; R862-D1109 PolarHBondContact NE-OD1 2.62Å; R862-D1109 IonicContact NH2-OD1 2.79Å; L1104-D1109 HydrophobicContact CB-CB 4.44Å; L1104-D1109 HydrophobicContact CD2-CB 3.97Å; K1105-D1109 PolarHBondContact N-OD2 2.93Å; T1106-D1109 PolarHBondContact N-OD2 3.31Å; T1106-D1109 WeakPolarHBondContact O-CB 3.3Å; T1106-D1109 PolarHBondContact O-N 2.62Å; T1106-D1109 VanDerWaalsContact O-N 3.1Å; G1107-D1109 PolarHBondContact O-N 2.88Å; D1109-A1113 WeakPolarHBondContact O-CB 3.03Å; D1109-A1113 PolarHBondContact O-N 3.18Å
1110	I	97.5	Very high	96.3	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-68	-46.3	179.8	-55.1	-58.7	0	0	0	112.1	F889 L1104 T1106 G1107 V1108 K1112 A1113 A1114 F1121 F1123 I1174 T1178	F889-I1110 HydrophobicContact CE1-CD1 4.33Å; F889-I1110 HydrophobicContact CE1-CG1 4.42Å; F889-I1110 HydrophobicContact CE1-CG2 4.18Å; L1104-I1110 HydrophobicContact CD1-CD1 4.37Å; T1106-I1110 PolarHBondContact O-N 3.39Å; G1107-I1110 WeakPolarHBondContact O-CB 3.4Å; G1107-I1110 PolarHBondContact O-N 2.84Å; G1107-I1110 VanDerWaalsContact O-N 3.14Å; V1108-I1110 VanDerWaalsContact C-N 3.26Å; V1108-I1110 PolarHBondContact O-N 2.98Å; I1110-K1112 PolarHBondContact O-N 2.68Å; I1110-A1113 PolarHBondContact O-N 3.45Å; I1110-A1114 VanDerWaalsContact O-CB 3.28Å; I1110-A1114 WeakPolarHBondContact O-CB 3.32Å; I1110-A1114 PolarHBondContact O-N 3.46Å; I1110-F1121 HydrophobicContact CD1-CB 3.57Å; I1110-F1121 HydrophobicContact CD1-CD1 3.62Å; I1110-F1121 HydrophobicContact CD1-CD2 4.2Å; I1110-F1121 HydrophobicContact CD1-CE1 4.41Å; I1110-F1121 HydrophobicContact CD1-CG 3.49Å; I1110-F1121 VanDerWaalsContact CD1-CG 3.49Å; I1110-F1121 HydrophobicContact CG2-CD1 4.13Å; I1110-F1121 HydrophobicContact CG2-CD2 4.01Å; I1110-F1121 HydrophobicContact CG2-CE1 3.91Å; I1110-F1121 HydrophobicContact CG2-CE2 3.82Å; I1110-F1121 HydrophobicContact CG2-CG 4.19Å; I1110-F1121 HydrophobicContact CG2-CZ 3.76Å; I1110-F1123 HydrophobicContact CD1-CE1 3.94Å; I1110-F1123 HydrophobicContact CD1-CE2 4.23Å; I1110-F1123 HydrophobicContact CD1-CZ 3.37Å; I1110-F1123 HydrophobicContact CG1-CZ 4.2Å; I1110-I1174 HydrophobicContact CG1-CG2 4.02Å; I1110-T1178 HydrophobicContact CB-CG2 4.48Å; I1110-T1178 HydrophobicContact CG2-CG2 3.98Å
1111	I	97.5	Very high	96.3	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-61.9	-45	177.5	-64.9	-66.1	0	0	0	110.8	I867 G1107 A1114 I1115 T1178 L1181 M1182 L1185 L1193	I867-I1111 HydrophobicContact CD1-CB 4.15Å; I867-I1111 HydrophobicContact CD1-CG2 3.76Å; I867-I1111 HydrophobicContact CG1-CG2 4.38Å; G1107-I1111 WeakPolarHBondContact O-CG1 3.5Å; G1107-I1111 PolarHBondContact O-N 3.23Å; I1111-A1114 PolarHBondContact O-N 3.12Å; I1111-I1115 HydrophobicContact CG2-CD1 3.86Å; I1111-I1115 VanDerWaalsContact O-CG1 3.32Å; I1111-I1115 WeakPolarHBondContact O-CG1 3.44Å; I1111-I1115 PolarHBondContact O-N 3.5Å; I1111-T1178 HydrophobicContact CD1-CG2 3.89Å; I1111-T1178 HydrophobicContact CG1-CG2 4.44Å; I1111-L1181 HydrophobicContact CD1-CB 4.12Å; I1111-L1181 HydrophobicContact CG1-CB 3.77Å; I1111-L1181 HydrophobicContact CG1-CD1 3.83Å; I1111-L1181 HydrophobicContact CG1-CG 4.46Å; I1111-M1182 HydrophobicContact CD1-CG 3.72Å; I1111-L1185 HydrophobicContact CG2-CD1 3.69Å; I1111-L1193 HydrophobicContact CD1-CD1 3.68Å; I1111-L1193 HydrophobicContact CG2-CD1 4.48Å
1112	K	97.3	Very high	96.4	Very high	19 Å²	19	4.1 Å²	4.1	8%	0.083	3%	0.027	C	C	.	.	H	α-helix	trans	-62.9	-47.5	176.9	-69.9	177.4	-179.9	-178.7	0	111.4	R862 L865 I867 V1108 I1110 A1114 I1115 L1116 L1200	R862-K1112 HydrophobicContact CB-CD 4.13Å; R862-K1112 PolarHBondContact O-NZ 2.77Å; L865-K1112 WeakPolarHBondContact O-CE 3.37Å; L865-K1112 PolarHBondContact O-NZ 2.82Å; I867-K1112 HydrophobicContact CD1-CG 4.47Å; I867-K1112 HydrophobicContact CG1-CG 4.33Å; V1108-K1112 HydrophobicContact CG1-CD 4.09Å; V1108-K1112 WeakPolarHBondContact O-CG 3.07Å; V1108-K1112 PolarHBondContact O-N 3.22Å; V1108-K1112 VanDerWaalsContact O-N 3.12Å; I1110-K1112 PolarHBondContact O-N 2.68Å; K1112-A1114 VanDerWaalsContact C-N 3.34Å; K1112-A1114 PolarHBondContact O-N 3.37Å; K1112-I1115 PolarHBondContact O-N 2.88Å; K1112-L1116 VanDerWaalsContact O-CG 3.26Å; K1112-L1116 WeakPolarHBondContact O-CG 3.35Å; K1112-L1116 PolarHBondContact O-N 2.64Å; K1112-L1200 HydrophobicContact CG-CD2 4.09Å
1113	A	97.7	Very high	96.6	Very high	0 Å²	0	4 Å²	4	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-61	-40.2	176.6	0	0	0	0	0	112.8	W1076 V1100 D1109 I1110 L1116 G1117 A1118 F1121	W1076-A1113 HydrophobicContact CH2-CB 3.83Å; W1076-A1113 HydrophobicContact CZ3-CB 4.05Å; V1100-A1113 HydrophobicContact CG1-CB 3.81Å; D1109-A1113 WeakPolarHBondContact O-CB 3.03Å; D1109-A1113 PolarHBondContact O-N 3.18Å; I1110-A1113 PolarHBondContact O-N 3.45Å; A1113-L1116 PolarHBondContact O-N 3.26Å; A1113-G1117 PolarHBondContact O-N 2.96Å; A1113-A1118 HydrophobicContact CB-CB 4.29Å; A1113-A1118 WeakPolarHBondContact O-CB 3.12Å; A1113-A1118 PolarHBondContact O-N 3.42Å; A1113-F1121 HydrophobicContact CB-CD1 4Å; A1113-F1121 HydrophobicContact CB-CE1 3.69Å
1114	A	97.4	Very high	96.7	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-61.9	-49.3	176.3	0	0	0	0	0	111.2	I1110 I1111 K1112 L1116 G1117 A1118 F1121 L1190 L1193 I1194	I1110-A1114 VanDerWaalsContact O-CB 3.28Å; I1110-A1114 WeakPolarHBondContact O-CB 3.32Å; I1110-A1114 PolarHBondContact O-N 3.46Å; I1111-A1114 PolarHBondContact O-N 3.12Å; K1112-A1114 VanDerWaalsContact C-N 3.34Å; K1112-A1114 PolarHBondContact O-N 3.37Å; A1114-L1116 VanDerWaalsContact C-N 3.3Å; A1114-L1116 PolarHBondContact O-N 2.79Å; A1114-G1117 PolarHBondContact O-N 3.44Å; A1114-G1117 VanDerWaalsContact O-N 3.08Å; A1114-A1118 WeakPolarHBondContact CA-O 3.49Å; A1114-F1121 HydrophobicContact CB-CZ 4.15Å; A1114-L1190 HydrophobicContact CB-CD1 4.31Å; A1114-L1190 HydrophobicContact CB-CG 4.27Å; A1114-L1193 HydrophobicContact CB-CB 4.28Å; A1114-L1193 HydrophobicContact CB-CD1 4.26Å; A1114-I1194 WeakPolarHBondContact O-CA 3.14Å
1115	I	97.1	Very high	96.7	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-56.4	-44.6	177	-70.4	163.8	0	0	0	111.7	I1111 K1112 G1117 L1193 G1195 R1196 T1197 L1199 L1200	I1111-I1115 HydrophobicContact CG2-CD1 3.86Å; I1111-I1115 VanDerWaalsContact O-CG1 3.32Å; I1111-I1115 WeakPolarHBondContact O-CG1 3.44Å; I1111-I1115 PolarHBondContact O-N 3.5Å; K1112-I1115 PolarHBondContact O-N 2.88Å; I1115-G1117 PolarHBondContact O-N 3.24Å; I1115-L1193 WeakPolarHBondContact CA-O 3.28Å; I1115-L1193 HydrophobicContact CG1-CB 4.12Å; I1115-L1193 HydrophobicContact CG1-CD2 4.4Å; I1115-G1195 WeakPolarHBondContact O-CA 3.31Å; I1115-G1195 PolarHBondContact O-N 3.02Å; I1115-R1196 VanDerWaalsContact CG2-C 3.5Å; I1115-R1196 WeakPolarHBondContact CG2-O 3.22Å; I1115-T1197 HydrophobicContact CG2-CG2 4.39Å; I1115-L1199 HydrophobicContact CD1-CB 3.93Å; I1115-L1200 HydrophobicContact CB-CD1 4.13Å; I1115-L1200 HydrophobicContact CB-CG 4.42Å; I1115-L1200 HydrophobicContact CD1-CD2 4.01Å; I1115-L1200 HydrophobicContact CD1-CG 4.04Å; I1115-L1200 HydrophobicContact CG2-CD1 3.58Å; I1115-L1200 HydrophobicContact CG2-CG 3.81Å
1116	L	96.6	Very high	96.6	Very high	5 Å²	5	4.5 Å²	4.5	3%	0.026	3%	0.03	C	C	.	.	H	α-helix	trans	-73.7	-7.6	-179.6	-63.2	174.2	0	0	0	114.4	W1076 E1077 L1080 V1081 K1112 A1113 A1114 L1200 L1218	W1076-L1116 HydrophobicContact CZ3-CD1 4.14Å; E1077-L1116 HydrophobicContact CG-CD1 4.46Å; L1080-L1116 HydrophobicContact CD2-CB 4.02Å; V1081-L1116 HydrophobicContact CG2-CB 3.86Å; V1081-L1116 HydrophobicContact CG2-CD1 4.49Å; V1081-L1116 HydrophobicContact CG2-CD2 3.68Å; V1081-L1116 HydrophobicContact CG2-CG 4.19Å; K1112-L1116 VanDerWaalsContact O-CG 3.26Å; K1112-L1116 WeakPolarHBondContact O-CG 3.35Å; K1112-L1116 PolarHBondContact O-N 2.64Å; A1113-L1116 PolarHBondContact O-N 3.26Å; A1114-L1116 VanDerWaalsContact C-N 3.3Å; A1114-L1116 PolarHBondContact O-N 2.79Å; L1116-L1200 HydrophobicContact CD2-CD1 3.95Å; L1116-L1200 HydrophobicContact CG-CD1 4.19Å; L1116-L1218 WeakPolarHBondContact CD2-O 3.29Å
1117	G	96	Very high	96.6	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	136.7	-9.6	169.2	0	0	0	0	0	117.1	Q1084 R1093 A1113 A1114 I1115	Q1084-G1117 PolarHBondContact OE1-O 2.81Å; R1093-G1117 PolarHBondContact NH2-O 2.94Å; A1113-G1117 PolarHBondContact O-N 2.96Å; A1114-G1117 PolarHBondContact O-N 3.44Å; A1114-G1117 VanDerWaalsContact O-N 3.08Å; I1115-G1117 PolarHBondContact O-N 3.24Å
1118	A	97.5	Very high	96.5	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.033	C	C	.	.			trans	-79.8	146.3	-172.8	0	0	0	0	0	113.8	L1080 V1100 A1113 A1114 F1121	L1080-A1118 HydrophobicContact CD1-CB 4.14Å; L1080-A1118 HydrophobicContact CD2-CB 3.99Å; V1100-A1118 HydrophobicContact CB-CB 4.33Å; V1100-A1118 HydrophobicContact CG1-CB 3.76Å; A1113-A1118 HydrophobicContact CB-CB 4.29Å; A1113-A1118 WeakPolarHBondContact O-CB 3.12Å; A1113-A1118 PolarHBondContact O-N 3.42Å; A1114-A1118 WeakPolarHBondContact CA-O 3.49Å; A1118-F1121 HydrophobicContact CB-CD1 4.45Å; A1118-F1121 HydrophobicContact CB-CE1 3.83Å; A1118-F1121 HydrophobicContact CB-CZ 4.37Å
1119	E	96.5	Very high	96.5	Very high	3 Å²	3	4 Å²	4	1%	0.014	3%	0.026	C	C	.	.	S	Bend	trans	-111.3	-15.5	173.9	-78.3	176.2	-108.8	0	0	113.5	R888 R1093 R1097 L1098 I1194 C1232	R888-E1119 WeakPolarHBondContact CB-O 3.49Å; R888-E1119 VanDerWaalsContact CD-O 3.32Å; R888-E1119 WeakPolarHBondContact CD-O 3.31Å; R888-E1119 WeakPolarHBondContact CG-O 3.42Å; R888-E1119 PolarHBondContact NH1-O 2.83Å; R1093-E1119 IonicContact CZ-OE1 3.81Å; R1093-E1119 VanDerWaalsContact CZ-OE1 3.27Å; R1093-E1119 IonicContact NH1-OE1 2.71Å; R1093-E1119 PolarHBondContact NH1-OE1 2.86Å; R1093-E1119 IonicContact NH2-OE1 2.98Å; R1093-E1119 PolarHBondContact NH2-OE1 3.21Å; R1097-E1119 HydrophobicContact CG-CB 3.78Å; R1097-E1119 IonicContact NE-OE2 3.3Å; L1098-E1119 PolarHBondContact O-N 3.5Å; E1119-I1194 HydrophobicContact CB-CD1 4.48Å; E1119-I1194 HydrophobicContact CG-CD1 3.37Å; E1119-C1232 WeakPolarHBondContact OE1-CB 3.47Å; E1119-C1232 PolarHBondContact OE1-N 2.76Å; E1119-C1232 WeakPolarHBondContact OE2-CB 3Å
1120	S	96.2	Very high	96.5	Very high	4 Å²	4	4 Å²	4	3%	0.028	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	154.5	-174.2	175.3	0	0	0	0	110.4	R888 L1098 Q1099 V1100	R888-S1120 CarbonylContact O-C 3.44Å; R888-S1120 VanDerWaalsContact O-CA 3.26Å; R888-S1120 WeakPolarHBondContact O-CA 3.35Å; R888-S1120 WeakPolarHBondContact O-CB 3.33Å; R888-S1120 PolarHBondContact O-OG 3Å; L1098-S1120 PolarHBondContact O-N 2.72Å; Q1099-S1120 VanDerWaalsContact CA-O 3.25Å; Q1099-S1120 WeakPolarHBondContact CA-O 3.37Å; Q1099-S1120 PolarHBondContact NE2-OG 3.01Å; V1100-S1120 PolarHBondContact N-O 2.87Å
1121	F	97.8	Very high	96.5	Very high	0 Å²	0	4 Å²	4	0%	0	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	120.4	-162.6	-46.7	-85.5	0	0	0	109.7	R888 F889 D890 V1100 L1104 I1110 A1113 A1114 A1118 F1123 L1190	R888-F1121 HydrophobicContact CB-CD2 4.33Å; R888-F1121 HydrophobicContact CB-CE2 4.38Å; R888-F1121 PolarHBondContact O-N 2.88Å; F889-F1121 HydrophobicContact CD1-CB 4.25Å; F889-F1121 AromaticContact CD1-CD2 3.89Å; F889-F1121 HydrophobicContact CD1-CD2 3.89Å; F889-F1121 HydrophobicContact CD1-CG 4.49Å; F889-F1121 AromaticContact CE1-CD2 3.83Å; F889-F1121 HydrophobicContact CE1-CD2 3.83Å; F889-F1121 HydrophobicContact CE1-CG 4.48Å; D890-F1121 PolarHBondContact N-O 3.37Å; V1100-F1121 HydrophobicContact CG1-CD1 4.1Å; V1100-F1121 WeakPolarHBondContact O-CA 3.31Å; L1104-F1121 HydrophobicContact CD1-CB 3.93Å; L1104-F1121 HydrophobicContact CD1-CD1 4.48Å; I1110-F1121 HydrophobicContact CD1-CB 3.57Å; I1110-F1121 HydrophobicContact CD1-CD1 3.62Å; I1110-F1121 HydrophobicContact CD1-CD2 4.2Å; I1110-F1121 HydrophobicContact CD1-CE1 4.41Å; I1110-F1121 HydrophobicContact CD1-CG 3.49Å; I1110-F1121 VanDerWaalsContact CD1-CG 3.49Å; I1110-F1121 HydrophobicContact CG2-CD1 4.13Å; I1110-F1121 HydrophobicContact CG2-CD2 4.01Å; I1110-F1121 HydrophobicContact CG2-CE1 3.91Å; I1110-F1121 HydrophobicContact CG2-CE2 3.82Å; I1110-F1121 HydrophobicContact CG2-CG 4.19Å; I1110-F1121 HydrophobicContact CG2-CZ 3.76Å; A1113-F1121 HydrophobicContact CB-CD1 4Å; A1113-F1121 HydrophobicContact CB-CE1 3.69Å; A1114-F1121 HydrophobicContact CB-CZ 4.15Å; A1118-F1121 HydrophobicContact CB-CD1 4.45Å; A1118-F1121 HydrophobicContact CB-CE1 3.83Å; A1118-F1121 HydrophobicContact CB-CZ 4.37Å; F1121-F1123 HydrophobicContact CB-CD2 4.49Å; F1121-F1123 HydrophobicContact CB-CE2 3.7Å; F1121-F1123 HydrophobicContact CB-CZ 4.1Å; F1121-F1123 WeakPolarHBondContact O-CD2 3.18Å; F1121-F1123 WeakPolarHBondContact O-CE2 3.36Å; F1121-L1190 HydrophobicContact CE2-CD2 3.59Å; F1121-L1190 HydrophobicContact CZ-CD2 3.87Å
1122	G	96.2	Very high	96.3	Very high	3 Å²	3	5 Å²	5	3%	0.031	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	128.1	-179.7	0	0	0	0	0	112.4	D890 V1100 D1101	D890-G1122 WeakPolarHBondContact O-CA 3.32Å; V1100-G1122 PolarHBondContact O-N 3.01Å; D1101-G1122 VanDerWaalsContact CB-O 3.28Å; D1101-G1122 WeakPolarHBondContact CB-O 3.36Å
1123	F	97	Very high	96.3	Very high	2 Å²	2	4.4 Å²	4.4	1%	0.009	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	115.2	-176.1	-56.6	-104.4	0	0	0	111.1	F889 D890 T891 A892 L1104 I1110 F1121 P1127 Y1170 F1171 I1174	F889-F1123 HydrophobicContact CB-CE2 4.1Å; F889-F1123 AromaticContact CD1-CE2 3.83Å; F889-F1123 HydrophobicContact CD1-CE2 3.83Å; F889-F1123 HydrophobicContact CD1-CZ 4.23Å; F889-F1123 HydrophobicContact CE1-CE2 4.46Å; F889-F1123 HydrophobicContact CE1-CZ 4.42Å; F889-F1123 AromaticContact CG-CE2 3.99Å; F889-F1123 HydrophobicContact CG-CE2 3.99Å; D890-F1123 PolarHBondContact O-N 3.38Å; T891-F1123 WeakPolarHBondContact CA-O 3.37Å; A892-F1123 PolarHBondContact N-O 3.34Å; L1104-F1123 HydrophobicContact CB-CD1 4Å; L1104-F1123 HydrophobicContact CB-CE1 3.99Å; I1110-F1123 HydrophobicContact CD1-CE1 3.94Å; I1110-F1123 HydrophobicContact CD1-CE2 4.23Å; I1110-F1123 HydrophobicContact CD1-CZ 3.37Å; I1110-F1123 HydrophobicContact CG1-CZ 4.2Å; F1121-F1123 HydrophobicContact CB-CD2 4.49Å; F1121-F1123 HydrophobicContact CB-CE2 3.7Å; F1121-F1123 HydrophobicContact CB-CZ 4.1Å; F1121-F1123 WeakPolarHBondContact O-CD2 3.18Å; F1121-F1123 WeakPolarHBondContact O-CE2 3.36Å; F1123-P1127 HydrophobicContact CB-CG 3.84Å; F1123-Y1170 HydrophobicContact CD1-CE1 4.46Å; F1123-F1171 HydrophobicContact CB-CE1 4.24Å; F1123-F1171 HydrophobicContact CB-CZ 4.06Å; F1123-F1171 HydrophobicContact CD1-CE1 4.46Å; F1123-F1171 AromaticContact CD2-CE1 3.51Å; F1123-F1171 HydrophobicContact CD2-CE1 3.51Å; F1123-F1171 HydrophobicContact CD2-CZ 4.08Å; F1123-F1171 HydrophobicContact CE2-CD1 4.48Å; F1123-F1171 AromaticContact CE2-CE1 3.74Å; F1123-F1171 HydrophobicContact CE2-CE1 3.74Å; F1123-F1171 AromaticContact CG-CE1 3.86Å; F1123-F1171 HydrophobicContact CG-CE1 3.86Å; F1123-F1171 HydrophobicContact CG-CZ 4.19Å; F1123-F1171 HydrophobicContact CZ-CE1 4.28Å; F1123-I1174 HydrophobicContact CD1-CD1 4.39Å; F1123-I1174 HydrophobicContact CE1-CD1 3.8Å; F1123-I1174 HydrophobicContact CZ-CD1 4.34Å; F1123-I1174 HydrophobicContact CZ-CG2 4.29Å
1124	G	93.5	Very high	96.1	Very high	19 Å²	19	10.2 Å²	10.2	20%	0.196	6%	0.06	C	C	.	.	S	Bend	trans	-100	-70.7	176.4	0	0	0	0	0	112.7	P1127 M1128	G1124-P1127 WeakPolarHBondContact O-CD 3.47Å; G1124-M1128 PolarHBondContact O-N 3.13Å
1125	T	94.6	Very high	96	Very high	13 Å²	13	11.2 Å²	11.2	8%	0.08	6%	0.064	C	C	.	.	H	α-helix	trans	-68.6	-38.4	-170.3	-60.8	0	0	0	0	113.8	M517 Y826 M1128 V1129 Y1135	M517-T1125 HydrophobicContact CE-CG2 3.81Å; Y826-T1125 HydrophobicContact CD1-CG2 4.15Å; Y826-T1125 HydrophobicContact CD2-CG2 3.92Å; Y826-T1125 HydrophobicContact CE1-CG2 3.73Å; Y826-T1125 HydrophobicContact CE2-CG2 3.47Å; Y826-T1125 VanDerWaalsContact CE2-CG2 3.47Å; Y826-T1125 HydrophobicContact CG-CG2 4.23Å; T1125-M1128 WeakPolarHBondContact O-CB 3.41Å; T1125-M1128 PolarHBondContact O-N 3.34Å; T1125-V1129 HydrophobicContact CG2-CG2 4.2Å; T1125-V1129 WeakPolarHBondContact O-CG2 3.32Å; T1125-V1129 PolarHBondContact O-N 3.26Å; T1125-Y1135 HydrophobicContact CG2-CD2 3.95Å; T1125-Y1135 HydrophobicContact CG2-CE2 3.55Å
1126	G	95.3	Very high	95.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-54.1	-56.9	177.2	0	0	0	0	0	112.7	Y826 M1128 V1129 A1130	Y826-G1126 PolarHBondContact OH-N 3.38Å; G1126-M1128 VanDerWaalsContact C-N 3.33Å; G1126-M1128 PolarHBondContact O-N 2.87Å; G1126-V1129 PolarHBondContact O-N 3.46Å; G1126-V1129 VanDerWaalsContact O-N 3.08Å; G1126-A1130 PolarHBondContact O-N 3.19Å
1127	P	96.1	Very high	95.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-58.1	-37.2	174.5	-28.7	37.3	0	0	0	114.3	T891 L907 F1123 G1124 V1129 A1130 L1131 V1167 Y1170 F1171	T891-P1127 HydrophobicContact CG2-CB 4.28Å; T891-P1127 HydrophobicContact CG2-CG 4.19Å; L907-P1127 HydrophobicContact CD2-CB 3.57Å; F1123-P1127 HydrophobicContact CB-CG 3.84Å; G1124-P1127 WeakPolarHBondContact O-CD 3.47Å; P1127-V1129 PolarHBondContact O-N 3.06Å; P1127-A1130 PolarHBondContact O-N 3.03Å; P1127-L1131 PolarHBondContact O-N 3.43Å; P1127-V1167 HydrophobicContact CB-CG1 4.35Å; P1127-Y1170 HydrophobicContact CG-CD1 4.14Å; P1127-Y1170 HydrophobicContact CG-CE1 3.98Å; P1127-F1171 HydrophobicContact CG-CE2 3.92Å; P1127-F1171 HydrophobicContact CG-CZ 3.77Å
1128	M	95.7	Very high	95.5	Very high	13 Å²	13	18.4 Å²	18.4	6%	0.064	10%	0.1	C	C	.	.	H	α-helix	trans	-62.8	-40.3	173.1	-73	-177.4	65.4	0	0	112.7	M517 M894 L899 G1124 T1125 G1126 L1131 G1132 C1133 V1148	M517-M1128 HydrophobicContact CE-CE 4.41Å; M517-M1128 HydrophobicContact CE-SD 4.34Å; M517-M1128 HydrophobicContact SD-CE 4.47Å; M894-M1128 HydrophobicContact CE-CG 4.43Å; M894-M1128 HydrophobicContact SD-CG 3.74Å; M894-M1128 HydrophobicContact SD-SD 3.58Å; L899-M1128 HydrophobicContact CD2-CE 3.69Å; L899-M1128 HydrophobicContact CD2-CG 4.47Å; L899-M1128 HydrophobicContact CD2-SD 4.11Å; G1124-M1128 PolarHBondContact O-N 3.13Å; T1125-M1128 WeakPolarHBondContact O-CB 3.41Å; T1125-M1128 PolarHBondContact O-N 3.34Å; G1126-M1128 VanDerWaalsContact C-N 3.33Å; G1126-M1128 PolarHBondContact O-N 2.87Å; M1128-L1131 PolarHBondContact O-N 2.78Å; M1128-G1132 PolarHBondContact O-N 3.03Å; M1128-C1133 HydrophobicContact CB-CB 4.15Å; M1128-C1133 WeakPolarHBondContact O-CB 3.3Å; M1128-C1133 PolarHBondContact O-N 3.34Å; M1128-V1148 HydrophobicContact CE-CG1 4.16Å
1129	V	96.5	Very high	95.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-67.6	-39.6	176.3	174.3	0	0	0	0	110.5	Y826 V831 L834 Q835 T1125 G1126 P1127 L1131 G1132 C1133	Y826-V1129 HydrophobicContact CD1-CG2 4.46Å; Y826-V1129 HydrophobicContact CE1-CG2 4.41Å; V831-V1129 HydrophobicContact CB-CG1 4.47Å; V831-V1129 HydrophobicContact CG1-CG1 4.08Å; V831-V1129 HydrophobicContact CG2-CG1 4.47Å; L834-V1129 HydrophobicContact CB-CG1 4.3Å; L834-V1129 HydrophobicContact CD2-CB 3.89Å; L834-V1129 HydrophobicContact CD2-CG1 3.68Å; L834-V1129 HydrophobicContact CG-CG1 4.12Å; Q835-V1129 HydrophobicContact CG-CG1 4.09Å; Q835-V1129 WeakPolarHBondContact CG-O 3.47Å; Q835-V1129 PolarHBondContact NE2-O 3.14Å; T1125-V1129 HydrophobicContact CG2-CG2 4.2Å; T1125-V1129 WeakPolarHBondContact O-CG2 3.32Å; T1125-V1129 PolarHBondContact O-N 3.26Å; G1126-V1129 PolarHBondContact O-N 3.46Å; G1126-V1129 VanDerWaalsContact O-N 3.08Å; P1127-V1129 PolarHBondContact O-N 3.06Å; V1129-L1131 VanDerWaalsContact C-N 3.32Å; V1129-L1131 PolarHBondContact O-N 3.49Å; V1129-G1132 WeakPolarHBondContact O-CA 3.22Å; V1129-G1132 PolarHBondContact O-N 2.92Å; V1129-C1133 HydrophobicContact CG2-CB 4.35Å
1130	A	96.9	Very high	95.2	Very high	2 Å²	2	20.2 Å²	20.2	2%	0.017	11%	0.109	C	C	.	.	H	α-helix	trans	-60.4	-36.9	174.4	0	0	0	0	0	113.1	V838 G1126 P1127 G1132 K1166	V838-A1130 HydrophobicContact CB-CB 4.41Å; V838-A1130 HydrophobicContact CG1-CB 3.95Å; V838-A1130 HydrophobicContact CG2-CB 4.14Å; G1126-A1130 PolarHBondContact O-N 3.19Å; P1127-A1130 PolarHBondContact O-N 3.03Å; A1130-G1132 PolarHBondContact O-N 2.75Å; A1130-K1166 WeakPolarHBondContact O-CD 3.38Å
1131	L	96.3	Very high	95	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-9.6	171.9	-71.3	178.1	0	0	0	114.4	A903 A906 L907 P1127 M1128 V1129 G1162 V1167	A903-L1131 HydrophobicContact CB-CD1 4.28Å; A906-L1131 HydrophobicContact CB-CD1 4.43Å; A906-L1131 HydrophobicContact CB-CD2 3.95Å; L907-L1131 HydrophobicContact CD2-CD1 3.81Å; L907-L1131 HydrophobicContact CG-CD1 3.82Å; P1127-L1131 PolarHBondContact O-N 3.43Å; M1128-L1131 PolarHBondContact O-N 2.78Å; V1129-L1131 VanDerWaalsContact C-N 3.32Å; V1129-L1131 PolarHBondContact O-N 3.49Å; L1131-G1162 WeakPolarHBondContact O-CA 3.4Å; L1131-V1167 HydrophobicContact CD1-CG2 4.32Å; L1131-V1167 HydrophobicContact CD2-CG2 3.61Å; L1131-V1167 HydrophobicContact CG-CG2 3.65Å
1132	G	95.1	Very high	94.8	Very high	19 Å²	19	25.2 Å²	25.2	20%	0.196	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	116.9	13.2	176.6	0	0	0	0	0	115.7	Q835 M1128 V1129 A1130 K1134 T1146	Q835-G1132 VanDerWaalsContact NE2-C 3.34Å; M1128-G1132 PolarHBondContact O-N 3.03Å; V1129-G1132 WeakPolarHBondContact O-CA 3.22Å; V1129-G1132 PolarHBondContact O-N 2.92Å; A1130-G1132 PolarHBondContact O-N 2.75Å; G1132-K1134 PolarHBondContact O-N 2.81Å; G1132-T1146 WeakPolarHBondContact O-CB 3.34Å; G1132-T1146 WeakPolarHBondContact O-CG2 3.42Å; G1132-T1146 PolarHBondContact O-OG1 3.23Å
1133	C	96.1	Very high	94.7	Very high	7 Å²	7	28.5 Å²	28.5	5%	0.047	15%	0.151	C	C	.	.			trans	-64.4	124.1	172.9	-173.9	0	0	0	0	111	Q835 M1128 V1129 Y1135	Q835-C1133 PolarHBondContact NE2-O 3.16Å; M1128-C1133 HydrophobicContact CB-CB 4.15Å; M1128-C1133 WeakPolarHBondContact O-CB 3.3Å; M1128-C1133 PolarHBondContact O-N 3.34Å; V1129-C1133 HydrophobicContact CG2-CB 4.35Å; C1133-Y1135 VanDerWaalsContact C-N 3.31Å; C1133-Y1135 PolarHBondContact SG-N 2.58Å; C1133-Y1135 VanDerWaalsContact SG-N 3.45Å
1134	K	94.7	Very high	94.6	Very high	123 Å²	123	28.9 Å²	28.9	54%	0.535	15%	0.154	S	C	.	.			trans	-90.2	14.8	175.9	-65.7	-177.2	178	179.4	0	114.1	G1132 L1136 T1146	G1132-K1134 PolarHBondContact O-N 2.81Å; K1134-L1136 HydrophobicContact CB-CD1 4.45Å; K1134-L1136 HydrophobicContact CB-CD2 4.46Å; K1134-L1136 HydrophobicContact CB-CG 4.08Å; K1134-L1136 PolarHBondContact O-N 2.76Å; K1134-L1136 VanDerWaalsContact O-N 3.1Å; K1134-T1146 HydrophobicContact CD-CG2 4.01Å; K1134-T1146 HydrophobicContact CG-CG2 4.08Å
1135	Y	93.4	Very high	94.6	Very high	21 Å²	21	30.5 Å²	30.5	8%	0.082	17%	0.166	C	C	.	.			trans	53.6	29	177.5	-148.9	-109.7	0	0	0	116.4	M517 D520 Y826 T1125 C1133 R1137	M517-Y1135 HydrophobicContact CB-CE2 3.83Å; M517-Y1135 HydrophobicContact CE-CD2 3.86Å; M517-Y1135 HydrophobicContact CE-CE2 3.48Å; M517-Y1135 VanDerWaalsContact CE-CE2 3.48Å; M517-Y1135 HydrophobicContact CG-CD2 4.16Å; M517-Y1135 HydrophobicContact CG-CE2 3.8Å; M517-Y1135 HydrophobicContact SD-CE2 4.46Å; D520-Y1135 WeakPolarHBondContact OD2-CE1 3.44Å; Y826-Y1135 VanDerWaalsContact CB-CE1 3.43Å; Y826-Y1135 HydrophobicContact CD2-CE1 4.44Å; Y826-Y1135 AromaticContact CD2-CE2 3.99Å; Y826-Y1135 HydrophobicContact CD2-CE2 3.99Å; Y826-Y1135 AromaticContact CD2-CZ 3.84Å; Y826-Y1135 HydrophobicContact CG-CD2 4.29Å; Y826-Y1135 HydrophobicContact CG-CE1 4.29Å; Y826-Y1135 HydrophobicContact CG-CE2 4.03Å; Y826-Y1135 WeakPolarHBondContact O-CD1 3.4Å; T1125-Y1135 HydrophobicContact CG2-CD2 3.95Å; T1125-Y1135 HydrophobicContact CG2-CE2 3.55Å; C1133-Y1135 VanDerWaalsContact C-N 3.31Å; C1133-Y1135 PolarHBondContact SG-N 2.58Å; C1133-Y1135 VanDerWaalsContact SG-N 3.45Å; Y1135-R1137 PolarHBondContact O-N 3.39Å; Y1135-R1137 VanDerWaalsContact O-N 3.14Å
1136	L	93.3	Very high	94.6	Very high	96 Å²	96	30.8 Å²	30.8	50%	0.503	17%	0.168	S	C	.	.			trans	-70.6	-6.6	-175.7	-58.8	176.9	0	0	0	115.3	K1134 I1138 A1145	K1134-L1136 HydrophobicContact CB-CD1 4.45Å; K1134-L1136 HydrophobicContact CB-CD2 4.46Å; K1134-L1136 HydrophobicContact CB-CG 4.08Å; K1134-L1136 PolarHBondContact O-N 2.76Å; K1134-L1136 VanDerWaalsContact O-N 3.1Å; L1136-I1138 VanDerWaalsContact C-N 3.31Å; L1136-I1138 HydrophobicContact CB-CD1 4.11Å; L1136-I1138 HydrophobicContact CB-CG1 4.16Å; L1136-I1138 HydrophobicContact CD1-CD1 4.11Å; L1136-I1138 PolarHBondContact O-N 3.01Å; L1136-A1145 HydrophobicContact CD1-CB 4.23Å
1137	R	93.2	Very high	94.6	Very high	21 Å²	21	30.8 Å²	30.8	8%	0.079	17%	0.168	C	C	.	.	S	Bend	trans	55.8	32.9	-177.7	-53.8	-172.2	-173.5	-107.7	4	116.2	S516 M517 G518 D520 L815 H824 Y1135 H1140	S516-R1137 PolarHBondContact OG-O 3.16Å; M517-R1137 HydrophobicContact CB-CG 4.26Å; M517-R1137 HydrophobicContact CG-CG 4.09Å; G518-R1137 PolarHBondContact O-NH1 2.98Å; D520-R1137 IonicContact OD1-CZ 3.92Å; D520-R1137 IonicContact OD1-NH2 3.96Å; D520-R1137 PolarHBondContact OD1-NH2 2.88Å; D520-R1137 IonicContact OD2-NH2 3.72Å; L815-R1137 WeakPolarHBondContact O-CD 3.33Å; L815-R1137 PolarHBondContact O-NE 2.99Å; H824-R1137 PolarHBondContact CE1-NH2 3.08Å; H824-R1137 PolarHBondContact ND1-NH2 3.18Å; Y1135-R1137 PolarHBondContact O-N 3.39Å; Y1135-R1137 VanDerWaalsContact O-N 3.14Å; R1137-H1140 PolarHBondContact O-CE1 3.03Å; R1137-H1140 PolarHBondContact O-ND1 3.39Å
1138	I	94.2	Very high	94.6	Very high	39 Å²	39	30.9 Å²	30.9	20%	0.2	17%	0.168	C	C	.	.			trans	-106.8	19.7	178.1	64.9	-173.8	0	0	0	113.5	L1136 H1140 L1141 N1143	L1136-I1138 VanDerWaalsContact C-N 3.31Å; L1136-I1138 HydrophobicContact CB-CD1 4.11Å; L1136-I1138 HydrophobicContact CB-CG1 4.16Å; L1136-I1138 HydrophobicContact CD1-CD1 4.11Å; L1136-I1138 PolarHBondContact O-N 3.01Å; I1138-H1140 PolarHBondContact O-N 2.89Å; I1138-L1141 HydrophobicContact CB-CD1 4.23Å; I1138-L1141 HydrophobicContact CG2-CD1 4.19Å; I1138-L1141 PolarHBondContact O-N 2.74Å; I1138-N1143 VanDerWaalsContact CB-OD1 3.25Å; I1138-N1143 WeakPolarHBondContact CB-OD1 3.31Å; I1138-N1143 WeakPolarHBondContact CD1-O 3.4Å; I1138-N1143 WeakPolarHBondContact CD1-OD1 3.41Å; I1138-N1143 VanDerWaalsContact CG1-OD1 3.31Å; I1138-N1143 WeakPolarHBondContact CG1-OD1 3.28Å; I1138-N1143 PolarHBondContact O-OD1 3.29Å
1139	C	95.5	Very high	94.6	Very high	8 Å²	8	30.3 Å²	30.3	5%	0.054	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-64.7	-25.3	-172.4	-48.9	0	0	0	0	113.6	S516 K979 G1062 A1149	S516-C1139 PolarHBondContact OG-N 2.84Å; S516-C1139 VanDerWaalsContact OG-N 3.15Å; K979-C1139 PolarHBondContact NZ-O 3.25Å; G1062-C1139 CarbonylContact O-C 3.54Å; C1139-A1149 HydrophobicContact CB-CB 3.85Å
1140	H	90.9	Very high	94.5	Very high	32 Å²	32	30.3 Å²	30.3	15%	0.148	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-83.5	-13.4	178	60.7	-79.7	0	0	0	113.3	V514 S516 G1062 A1063 R1137 I1138	V514-H1140 HydrophobicContact CG1-CB 4.3Å; V514-H1140 PolarHBondContact O-NE2 2.86Å; S516-H1140 PolarHBondContact OG-ND1 3.23Å; S516-H1140 VanDerWaalsContact OG-ND1 3.12Å; G1062-H1140 PolarHBondContact O-N 3.24Å; A1063-H1140 HydrophobicContact CB-CB 3.92Å; R1137-H1140 PolarHBondContact O-CE1 3.03Å; R1137-H1140 PolarHBondContact O-ND1 3.39Å; I1138-H1140 PolarHBondContact O-N 2.89Å
1141	L	91.9	Very high	94.2	Very high	90 Å²	90	30.5 Å²	30.5	47%	0.471	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-97.4	7.7	-178.8	-58.4	178	0	0	0	113.1	I1138 N1143	I1138-L1141 HydrophobicContact CB-CD1 4.23Å; I1138-L1141 HydrophobicContact CG2-CD1 4.19Å; I1138-L1141 PolarHBondContact O-N 2.74Å; L1141-N1143 WeakPolarHBondContact CB-OD1 3.15Å; L1141-N1143 PolarHBondContact O-N 2.81Å
1142	N	93.9	Very high	94.1	Very high	20 Å²	20	33.5 Å²	33.5	11%	0.107	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	5.3	-177.5	-159.5	21.3	0	0	0	115.9	D978 K979 C1144 T1150 Q1151	D978-N1142 PolarHBondContact O-ND2 3.04Å; D978-N1142 VanDerWaalsContact O-ND2 3.11Å; D978-N1142 WeakPolarHBondContact OD2-CB 3.41Å; D978-N1142 PolarHBondContact OD2-ND2 3.23Å; K979-N1142 HydrophobicContact CD-CB 4.13Å; K979-N1142 HydrophobicContact CG-CB 3.76Å; N1142-C1144 PolarHBondContact O-N 2.95Å; N1142-T1150 VanDerWaalsContact O-CB 3.23Å; N1142-T1150 WeakPolarHBondContact O-CB 3.3Å; N1142-T1150 PolarHBondContact O-OG1 3.25Å; N1142-T1150 WeakPolarHBondContact OD1-CA 3.38Å; N1142-T1150 PolarHBondContact OD1-OG1 2.78Å; N1142-T1150 VanDerWaalsContact OD1-OG1 3.07Å; N1142-Q1151 PolarHBondContact OD1-N 3.43Å
1143	N	94	Very high	93.8	Very high	71 Å²	71	36.1 Å²	36.1	38%	0.38	19%	0.192	S	C	.	.			trans	-102.7	34.8	-171.7	64.7	1.7	0	0	0	112.9	I1138 L1141 A1145	I1138-N1143 VanDerWaalsContact CB-OD1 3.25Å; I1138-N1143 WeakPolarHBondContact CB-OD1 3.31Å; I1138-N1143 WeakPolarHBondContact CD1-O 3.4Å; I1138-N1143 WeakPolarHBondContact CD1-OD1 3.41Å; I1138-N1143 VanDerWaalsContact CG1-OD1 3.31Å; I1138-N1143 WeakPolarHBondContact CG1-OD1 3.28Å; I1138-N1143 PolarHBondContact O-OD1 3.29Å; L1141-N1143 WeakPolarHBondContact CB-OD1 3.15Å; L1141-N1143 PolarHBondContact O-N 2.81Å; N1143-A1145 PolarHBondContact O-N 3.49Å
1144	C	95.8	Very high	93.6	Very high	10 Å²	10	42.6 Å²	42.6	7%	0.068	22%	0.219	C	C	.	.			trans	-61.2	108.9	-175.9	-174.2	0	0	0	0	111.8	N1142 T1146 G1147 A1149 T1150	N1142-C1144 PolarHBondContact O-N 2.95Å; C1144-T1146 PolarHBondContact O-N 3Å; C1144-G1147 PolarHBondContact O-N 3.41Å; C1144-A1149 HydrophobicContact CB-CB 4.23Å; C1144-A1149 PolarHBondContact SG-N 3.01Å; C1144-A1149 VanDerWaalsContact SG-N 3.36Å; C1144-T1150 HydrophobicContact CB-CG2 3.84Å
1145	A	92.5	Very high	93.6	Very high	53 Å²	53	38.4 Å²	38.4	44%	0.438	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	0.7	-174.9	0	0	0	0	0	116.3	L1136 N1143	L1136-A1145 HydrophobicContact CD1-CB 4.23Å; N1143-A1145 PolarHBondContact O-N 3.49Å
1146	T	95	Very high	93.6	Very high	20 Å²	20	39 Å²	39	12%	0.123	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.8	18.7	176	57.8	0	0	0	0	113.1	G1132 K1134 C1144 V1148 H1159	G1132-T1146 WeakPolarHBondContact O-CB 3.34Å; G1132-T1146 WeakPolarHBondContact O-CG2 3.42Å; G1132-T1146 PolarHBondContact O-OG1 3.23Å; K1134-T1146 HydrophobicContact CD-CG2 4.01Å; K1134-T1146 HydrophobicContact CG-CG2 4.08Å; C1144-T1146 PolarHBondContact O-N 3Å; T1146-V1148 PolarHBondContact O-N 2.98Å; T1146-H1159 CarbonylContact C-O 3.51Å; T1146-H1159 VanDerWaalsContact C-O 3.25Å; T1146-H1159 WeakPolarHBondContact CA-O 3.46Å; T1146-H1159 VanDerWaalsContact O-O 3.1Å
1147	G	94.7	Very high	93.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	69.1	1.6	173.8	0	0	0	0	0	116.2	S900 C1144 L1155	S900-G1147 VanDerWaalsContact CB-O 3.22Å; S900-G1147 WeakPolarHBondContact CB-O 3.49Å; S900-G1147 PolarHBondContact OG-O 3.02Å; C1144-G1147 PolarHBondContact O-N 3.41Å; G1147-L1155 WeakPolarHBondContact CA-O 3.34Å
1148	V	96.4	Very high	93.7	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	23%	0.229	C	C	.	.	S	Bend	trans	-78.5	-45.6	-173.8	178.7	0	0	0	0	113.4	L899 S900 A903 M1128 T1146 Y1160	L899-V1148 WeakPolarHBondContact CA-O 3.26Å; L899-V1148 HydrophobicContact CD2-CG1 4.2Å; S900-V1148 PolarHBondContact N-O 3.39Å; S900-V1148 PolarHBondContact OG-O 3.27Å; A903-V1148 HydrophobicContact CB-CG1 4.13Å; M1128-V1148 HydrophobicContact CE-CG1 4.16Å; T1146-V1148 PolarHBondContact O-N 2.98Å; V1148-Y1160 HydrophobicContact CG2-CD2 4.31Å; V1148-Y1160 HydrophobicContact CG2-CE2 4.29Å
1149	A	95.8	Very high	93.7	Very high	2 Å²	2	46.5 Å²	46.5	2%	0.017	24%	0.238	C	C	.	.	S	Bend	trans	-119.1	45.9	-170.3	0	0	0	0	0	112.5	A898 K979 C1139 C1144	A898-A1149 CarbonylContact O-C 3.5Å; A898-A1149 WeakPolarHBondContact O-CA 3.37Å; K979-A1149 PolarHBondContact NZ-O 3.29Å; C1139-A1149 HydrophobicContact CB-CB 3.85Å; C1144-A1149 HydrophobicContact CB-CB 4.23Å; C1144-A1149 PolarHBondContact SG-N 3.01Å; C1144-A1149 VanDerWaalsContact SG-N 3.36Å
1150	T	95	Very high	93.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.241	C	C	.	.			trans	-144.2	152.3	-173	175.3	0	0	0	0	111.1	S900 N1142 C1144 D1152 L1155 R1156	S900-T1150 WeakPolarHBondContact CB-O 3.23Å; N1142-T1150 VanDerWaalsContact O-CB 3.23Å; N1142-T1150 WeakPolarHBondContact O-CB 3.3Å; N1142-T1150 PolarHBondContact O-OG1 3.25Å; N1142-T1150 WeakPolarHBondContact OD1-CA 3.38Å; N1142-T1150 PolarHBondContact OD1-OG1 2.78Å; N1142-T1150 VanDerWaalsContact OD1-OG1 3.07Å; C1144-T1150 HydrophobicContact CB-CG2 3.84Å; T1150-D1152 WeakPolarHBondContact OG1-CB 3.25Å; T1150-D1152 PolarHBondContact OG1-N 2.93Å; T1150-L1155 HydrophobicContact CG2-CB 3.91Å; T1150-R1156 HydrophobicContact CG2-CG 4.11Å
1151	Q	91.5	Very high	93.8	Very high	5 Å²	5	52.3 Å²	52.3	2%	0.023	26%	0.262	C	S	.	.			trans	-109.9	4	166.2	-54.6	-51	-36.5	0	0	112.6	G897 L899 K979 T981 I984 N1142 D1153	G897-Q1151 VanDerWaalsContact C-NE2 3.3Å; G897-Q1151 VanDerWaalsContact CA-NE2 3.26Å; G897-Q1151 PolarHBondContact O-NE2 3.02Å; L899-Q1151 PolarHBondContact O-NE2 3.41Å; K979-Q1151 HydrophobicContact CB-CG 4.16Å; K979-Q1151 WeakPolarHBondContact O-CG 3.31Å; T981-Q1151 HydrophobicContact CG2-CB 3.64Å; T981-Q1151 HydrophobicContact CG2-CG 4.48Å; I984-Q1151 HydrophobicContact CG1-CG 4.26Å; N1142-Q1151 PolarHBondContact OD1-N 3.43Å; Q1151-D1153 PolarHBondContact O-N 2.92Å
1152	D	93.2	Very high	93.9	Very high	66 Å²	66	48.2 Å²	48.2	35%	0.353	24%	0.242	S	C	.	.			trans	-66.4	119.2	171.6	178.8	-80.2	0	0	0	109.9	T1150 K1154 L1155 R1156	T1150-D1152 WeakPolarHBondContact OG1-CB 3.25Å; T1150-D1152 PolarHBondContact OG1-N 2.93Å; D1152-K1154 VanDerWaalsContact C-N 3.26Å; D1152-K1154 PolarHBondContact O-N 3.35Å; D1152-K1154 WeakPolarHBondContact OD1-CA 3.15Å; D1152-K1154 VanDerWaalsContact OD1-CB 3.31Å; D1152-K1154 WeakPolarHBondContact OD1-CB 3.47Å; D1152-K1154 PolarHBondContact OD1-N 3.49Å; D1152-L1155 HydrophobicContact CB-CB 4.17Å; D1152-L1155 HydrophobicContact CB-CD1 4.05Å; D1152-L1155 HydrophobicContact CB-CG 4.09Å; D1152-L1155 PolarHBondContact O-N 2.99Å; D1152-L1155 WeakPolarHBondContact OD1-CG 3.43Å; D1152-L1155 PolarHBondContact OD1-N 3.23Å; D1152-R1156 WeakPolarHBondContact O-CG 3.43Å; D1152-R1156 PolarHBondContact O-N 3.11Å
1153	D	89.1	Confident	94	Very high	73 Å²	73	51.6 Å²	51.6	39%	0.39	26%	0.26	S	S	.	.	H	α-helix	trans	-62.2	-33.3	-171.8	-127.9	40.1	0	0	0	112.9	Q1151 R1156 K1157	Q1151-D1153 PolarHBondContact O-N 2.92Å; D1153-R1156 IonicContact OD1-CZ 3.13Å; D1153-R1156 IonicContact OD1-NE 2.76Å; D1153-R1156 IonicContact OD1-NH2 2.7Å; D1153-R1156 PolarHBondContact OD1-NH2 3.06Å; D1153-K1157 VanDerWaalsContact O-CB 3.28Å; D1153-K1157 WeakPolarHBondContact O-CB 3.49Å; D1153-K1157 WeakPolarHBondContact O-CD 3.49Å; D1153-K1157 VanDerWaalsContact O-CG 3.24Å; D1153-K1157 WeakPolarHBondContact O-CG 3.27Å; D1153-K1157 PolarHBondContact O-N 2.81Å; D1153-K1157 WeakPolarHBondContact OD2-CE 3.35Å; D1153-K1157 IonicContact OD2-NZ 3.11Å; D1153-K1157 PolarHBondContact OD2-NZ 3.23Å
1154	K	91.4	Very high	94.1	Very high	144 Å²	144	49.7 Å²	49.7	63%	0.626	25%	0.251	S	S	*	.	H	α-helix	trans	-74.6	-41.8	179.2	-178.4	-176.5	177.2	-179.5	0	110.7	D1152 N1158	D1152-K1154 VanDerWaalsContact C-N 3.26Å; D1152-K1154 PolarHBondContact O-N 3.35Å; D1152-K1154 WeakPolarHBondContact OD1-CA 3.15Å; D1152-K1154 VanDerWaalsContact OD1-CB 3.31Å; D1152-K1154 WeakPolarHBondContact OD1-CB 3.47Å; D1152-K1154 PolarHBondContact OD1-N 3.49Å; K1154-N1158 VanDerWaalsContact O-CB 3.23Å; K1154-N1158 WeakPolarHBondContact O-CB 3.34Å; K1154-N1158 PolarHBondContact O-N 3.43Å
1155	L	94.1	Very high	94.2	Very high	35 Å²	35	53.1 Å²	53.1	18%	0.183	27%	0.265	C	S	.	.	H	α-helix	trans	-67.2	-39.2	176.9	-65.2	-177.9	0	0	0	112	G1147 T1150 D1152 H1159	G1147-L1155 WeakPolarHBondContact CA-O 3.34Å; T1150-L1155 HydrophobicContact CG2-CB 3.91Å; D1152-L1155 HydrophobicContact CB-CB 4.17Å; D1152-L1155 HydrophobicContact CB-CD1 4.05Å; D1152-L1155 HydrophobicContact CB-CG 4.09Å; D1152-L1155 PolarHBondContact O-N 2.99Å; D1152-L1155 WeakPolarHBondContact OD1-CG 3.43Å; D1152-L1155 PolarHBondContact OD1-N 3.23Å; L1155-H1159 WeakPolarHBondContact O-CB 3.14Å; L1155-H1159 PolarHBondContact O-N 2.87Å; L1155-H1159 VanDerWaalsContact O-N 3.16Å
1156	R	94.9	Very high	94.4	Very high	33 Å²	33	51.7 Å²	51.7	13%	0.125	25%	0.249	C	C	.	.	H	α-helix	trans	-62.5	-59.3	172.5	-64.1	-172.6	-48.3	-174.8	17.2	110.9	P901 E902 T1150 D1152 D1153 N1158 Y1160	P901-R1156 VanDerWaalsContact CD-NH1 3.26Å; E902-R1156 IonicContact OE1-NE 3.59Å; E902-R1156 WeakPolarHBondContact OE2-CD 3.34Å; T1150-R1156 HydrophobicContact CG2-CG 4.11Å; D1152-R1156 WeakPolarHBondContact O-CG 3.43Å; D1152-R1156 PolarHBondContact O-N 3.11Å; D1153-R1156 IonicContact OD1-CZ 3.13Å; D1153-R1156 IonicContact OD1-NE 2.76Å; D1153-R1156 IonicContact OD1-NH2 2.7Å; D1153-R1156 PolarHBondContact OD1-NH2 3.06Å; R1156-N1158 PolarHBondContact O-N 2.88Å; R1156-Y1160 WeakPolarHBondContact O-CB 3.45Å; R1156-Y1160 PolarHBondContact O-N 3.29Å; R1156-Y1160 VanDerWaalsContact O-N 3.11Å
1157	K	93.1	Very high	94.5	Very high	145 Å²	145	50.7 Å²	50.7	63%	0.63	24%	0.243	S	C	*	.	H	α-helix	trans	-61.2	-38.2	-174.4	-73	168.4	176.9	164.6	0	113.9	D1153	D1153-K1157 VanDerWaalsContact O-CB 3.28Å; D1153-K1157 WeakPolarHBondContact O-CB 3.49Å; D1153-K1157 WeakPolarHBondContact O-CD 3.49Å; D1153-K1157 VanDerWaalsContact O-CG 3.24Å; D1153-K1157 WeakPolarHBondContact O-CG 3.27Å; D1153-K1157 PolarHBondContact O-N 2.81Å; D1153-K1157 WeakPolarHBondContact OD2-CE 3.35Å; D1153-K1157 IonicContact OD2-NZ 3.11Å; D1153-K1157 PolarHBondContact OD2-NZ 3.23Å
1158	N	94.6	Very high	94.7	Very high	89 Å²	89	51.7 Å²	51.7	48%	0.476	25%	0.249	S	C	.	.	H	α-helix	trans	-98.7	-17.9	-171.1	-60.7	-10	0	0	0	114.5	K1154 R1156	K1154-N1158 VanDerWaalsContact O-CB 3.23Å; K1154-N1158 WeakPolarHBondContact O-CB 3.34Å; K1154-N1158 PolarHBondContact O-N 3.43Å; R1156-N1158 PolarHBondContact O-N 2.88Å
1159	H	94.1	Very high	94.8	Very high	80 Å²	80	52.8 Å²	52.8	37%	0.37	25%	0.254	S	S	.	.	H	α-helix	trans	-131.1	-4.8	-171.8	-55.8	-51.1	0	0	0	115	T1146 L1155 H1161	T1146-H1159 CarbonylContact C-O 3.51Å; T1146-H1159 VanDerWaalsContact C-O 3.25Å; T1146-H1159 WeakPolarHBondContact CA-O 3.46Å; T1146-H1159 VanDerWaalsContact O-O 3.1Å; L1155-H1159 WeakPolarHBondContact O-CB 3.14Å; L1155-H1159 PolarHBondContact O-N 2.87Å; L1155-H1159 VanDerWaalsContact O-N 3.16Å; H1159-H1161 PolarHBondContact O-N 2.97Å
1160	Y	95.5	Very high	94.9	Very high	34 Å²	34	52.7 Å²	52.7	13%	0.133	25%	0.254	C	S	.	.			trans	-77.9	118.9	170.4	-174.5	-104.1	0	0	0	111	E902 A903 A906 V1148 R1156 G1162	E902-Y1160 HydrophobicContact CB-CD1 3.63Å; E902-Y1160 HydrophobicContact CB-CE1 3.49Å; E902-Y1160 VanDerWaalsContact CB-CE1 3.49Å; E902-Y1160 HydrophobicContact CB-CG 4.25Å; E902-Y1160 HydrophobicContact CG-CD1 4.36Å; E902-Y1160 PolarHBondContact O-OH 3.09Å; A903-Y1160 WeakPolarHBondContact CA-OH 3.17Å; A903-Y1160 HydrophobicContact CB-CE2 3.86Å; A906-Y1160 WeakPolarHBondContact CB-OH 3.44Å; V1148-Y1160 HydrophobicContact CG2-CD2 4.31Å; V1148-Y1160 HydrophobicContact CG2-CE2 4.29Å; R1156-Y1160 WeakPolarHBondContact O-CB 3.45Å; R1156-Y1160 PolarHBondContact O-N 3.29Å; R1156-Y1160 VanDerWaalsContact O-N 3.11Å; Y1160-G1162 WeakPolarHBondContact CE1-O 3.36Å; Y1160-G1162 PolarHBondContact OH-O 3.09Å
1161	H	93.6	Very high	95	Very high	127 Å²	127	52.7 Å²	52.7	59%	0.588	25%	0.254	S	S	*	.			trans	-133	23.5	179.6	-50.7	-43.4	0	0	0	111.9	H1159 K1166	H1159-H1161 PolarHBondContact O-N 2.97Å; H1161-K1166 PolarHBondContact O-NZ 3.14Å
1162	G	93.4	Very high	95.3	Very high	4 Å²	4	56.6 Å²	56.6	4%	0.041	27%	0.272	C	S	.	.			trans	-78	134.5	173	0	0	0	0	0	110.4	L1131 Y1160	L1131-G1162 WeakPolarHBondContact O-CA 3.4Å; Y1160-G1162 WeakPolarHBondContact CE1-O 3.36Å; Y1160-G1162 PolarHBondContact OH-O 3.09Å
1163	L	95.6	Very high	95.5	Very high	92 Å²	92	54 Å²	54	48%	0.482	26%	0.258	S	S	.	.			trans	-131.6	143.2	179.2	-70.5	172.5	0	0	0	108.9	F1165 K1166	L1163-F1165 VanDerWaalsContact C-N 3.26Å; L1163-F1165 HydrophobicContact CB-CD1 3.73Å; L1163-F1165 HydrophobicContact CB-CE1 3.77Å; L1163-F1165 HydrophobicContact CD1-CD1 4.35Å; L1163-F1165 HydrophobicContact CD1-CE1 3.77Å; L1163-F1165 HydrophobicContact CG-CE1 4.43Å; L1163-F1165 PolarHBondContact O-N 2.84Å; L1163-F1165 VanDerWaalsContact O-N 3.15Å; L1163-K1166 WeakPolarHBondContact O-CB 3.21Å; L1163-K1166 PolarHBondContact O-N 3.43Å
1164	P	96.8	Very high	95.9	Very high	30 Å²	30	50.6 Å²	50.6	20%	0.195	24%	0.239	C	C	.	.	H	α-helix	trans	-51.6	-41.5	-174.3	-28.3	33.5	0	0	0	113.9	A906 E909 A910 K1166 V1167 T1168	A906-P1164 HydrophobicContact CB-CG 4.22Å; E909-P1164 HydrophobicContact CB-CB 4.34Å; E909-P1164 HydrophobicContact CB-CG 4.15Å; E909-P1164 HydrophobicContact CG-CB 4.34Å; E909-P1164 HydrophobicContact CG-CG 4.13Å; A910-P1164 HydrophobicContact CB-CB 4.1Å; A910-P1164 WeakPolarHBondContact CB-O 3.44Å; P1164-K1166 PolarHBondContact O-N 2.96Å; P1164-V1167 WeakPolarHBondContact O-CB 3.3Å; P1164-V1167 PolarHBondContact O-N 3.35Å; P1164-T1168 PolarHBondContact O-N 3.42Å; P1164-T1168 VanDerWaalsContact O-N 3.08Å; P1164-T1168 PolarHBondContact O-OG1 2.98Å
1165	F	97.3	Very high	96.2	Very high	83 Å²	83	43.7 Å²	43.7	36%	0.364	21%	0.209	S	C	.	.	H	α-helix	trans	-57.4	-27.2	-177.7	86.1	-96.6	0	0	0	113.7	L1163 V1167 T1168 N1169	L1163-F1165 VanDerWaalsContact C-N 3.26Å; L1163-F1165 HydrophobicContact CB-CD1 3.73Å; L1163-F1165 HydrophobicContact CB-CE1 3.77Å; L1163-F1165 HydrophobicContact CD1-CD1 4.35Å; L1163-F1165 HydrophobicContact CD1-CE1 3.77Å; L1163-F1165 HydrophobicContact CG-CE1 4.43Å; L1163-F1165 PolarHBondContact O-N 2.84Å; L1163-F1165 VanDerWaalsContact O-N 3.15Å; F1165-V1167 VanDerWaalsContact C-N 3.31Å; F1165-V1167 PolarHBondContact O-N 3.45Å; F1165-T1168 WeakPolarHBondContact O-CB 3.43Å; F1165-T1168 PolarHBondContact O-N 2.83Å; F1165-N1169 WeakPolarHBondContact O-CB 3.12Å; F1165-N1169 PolarHBondContact O-N 3.06Å; F1165-N1169 PolarHBondContact O-OD1 3.16Å
1166	K	98	Very high	96.4	Very high	22 Å²	22	47.9 Å²	47.9	10%	0.096	22%	0.223	C	C	.	.	H	α-helix	trans	-66.1	-37.5	176.9	-62	-178.3	179.5	-176.3	0	111.4	V838 A1130 H1161 L1163 P1164 Y1170	V838-K1166 HydrophobicContact CB-CB 4.07Å; V838-K1166 WeakPolarHBondContact CB-O 3.49Å; V838-K1166 WeakPolarHBondContact CG1-O 3.49Å; V838-K1166 HydrophobicContact CG2-CB 4Å; V838-K1166 HydrophobicContact CG2-CG 4.41Å; A1130-K1166 WeakPolarHBondContact O-CD 3.38Å; H1161-K1166 PolarHBondContact O-NZ 3.14Å; L1163-K1166 WeakPolarHBondContact O-CB 3.21Å; L1163-K1166 PolarHBondContact O-N 3.43Å; P1164-K1166 PolarHBondContact O-N 2.96Å; K1166-Y1170 PolarHBondContact O-N 3.2Å; K1166-Y1170 VanDerWaalsContact O-N 3.16Å
1167	V	97.5	Very high	96.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-74.9	-39.4	176.4	178.9	0	0	0	0	109.7	L907 A910 P1127 L1131 P1164 F1165 Y1170 F1171	L907-V1167 HydrophobicContact CD2-CG1 4.24Å; L907-V1167 HydrophobicContact CD2-CG2 4.09Å; A910-V1167 HydrophobicContact CB-CB 3.63Å; A910-V1167 HydrophobicContact CB-CG1 3.76Å; P1127-V1167 HydrophobicContact CB-CG1 4.35Å; L1131-V1167 HydrophobicContact CD1-CG2 4.32Å; L1131-V1167 HydrophobicContact CD2-CG2 3.61Å; L1131-V1167 HydrophobicContact CG-CG2 3.65Å; P1164-V1167 WeakPolarHBondContact O-CB 3.3Å; P1164-V1167 PolarHBondContact O-N 3.35Å; F1165-V1167 VanDerWaalsContact C-N 3.31Å; F1165-V1167 PolarHBondContact O-N 3.45Å; V1167-Y1170 WeakPolarHBondContact O-CB 3.46Å; V1167-Y1170 PolarHBondContact O-N 3.46Å; V1167-F1171 HydrophobicContact CG1-CD2 3.79Å; V1167-F1171 HydrophobicContact CG1-CE2 3.63Å; V1167-F1171 VanDerWaalsContact O-CD2 3.25Å; V1167-F1171 WeakPolarHBondContact O-CD2 3.3Å; V1167-F1171 PolarHBondContact O-N 3.06Å; V1167-F1171 VanDerWaalsContact O-N 3.12Å
1168	T	97.8	Very high	96.7	Very high	21 Å²	21	40.3 Å²	40.3	13%	0.129	19%	0.191	C	C	.	.	H	α-helix	trans	-53.9	-55.2	170.1	-58.4	0	0	0	0	111.6	I914 P1164 F1165 Y1170 F1171 E1172	I914-T1168 HydrophobicContact CG2-CG2 3.66Å; P1164-T1168 PolarHBondContact O-N 3.42Å; P1164-T1168 VanDerWaalsContact O-N 3.08Å; P1164-T1168 PolarHBondContact O-OG1 2.98Å; F1165-T1168 WeakPolarHBondContact O-CB 3.43Å; F1165-T1168 PolarHBondContact O-N 2.83Å; T1168-Y1170 VanDerWaalsContact C-N 3.3Å; T1168-Y1170 PolarHBondContact O-N 3.05Å; T1168-F1171 PolarHBondContact O-N 2.69Å; T1168-F1171 VanDerWaalsContact O-N 3.13Å; T1168-E1172 HydrophobicContact CG2-CG 4.32Å; T1168-E1172 WeakPolarHBondContact O-CG 3.5Å; T1168-E1172 PolarHBondContact O-N 2.95Å
1169	N	97.8	Very high	96.9	Very high	23 Å²	23	38.1 Å²	38.1	12%	0.123	18%	0.176	C	C	.	.	H	α-helix	trans	-53.6	-45.1	176.9	-70.6	-4.3	0	0	0	111.8	V838 F1165 F1171 E1172 F1173	V838-N1169 PolarHBondContact O-ND2 3.15Å; F1165-N1169 WeakPolarHBondContact O-CB 3.12Å; F1165-N1169 PolarHBondContact O-N 3.06Å; F1165-N1169 PolarHBondContact O-OD1 3.16Å; N1169-F1171 PolarHBondContact O-N 3.48Å; N1169-E1172 PolarHBondContact O-N 3.21Å; N1169-F1173 HydrophobicContact CB-CE2 4.05Å; N1169-F1173 HydrophobicContact CB-CZ 4.25Å; N1169-F1173 WeakPolarHBondContact O-CD2 3.49Å; N1169-F1173 WeakPolarHBondContact O-CG 3.27Å; N1169-F1173 PolarHBondContact O-N 2.72Å
1170	Y	97.9	Very high	97	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.1	-46.7	178	179.6	-118.6	0	0	0	112.8	L834 Y849 K1105 F1123 P1127 K1166 V1167 T1168 I1174	L834-Y1170 HydrophobicContact CD1-CD2 3.52Å; L834-Y1170 HydrophobicContact CD1-CE2 3.67Å; L834-Y1170 HydrophobicContact CD2-CE2 4.31Å; Y849-Y1170 HydrophobicContact CE1-CE2 4.36Å; K1105-Y1170 PolarHBondContact O-OH 2.75Å; F1123-Y1170 HydrophobicContact CD1-CE1 4.46Å; P1127-Y1170 HydrophobicContact CG-CD1 4.14Å; P1127-Y1170 HydrophobicContact CG-CE1 3.98Å; K1166-Y1170 PolarHBondContact O-N 3.2Å; K1166-Y1170 VanDerWaalsContact O-N 3.16Å; V1167-Y1170 WeakPolarHBondContact O-CB 3.46Å; V1167-Y1170 PolarHBondContact O-N 3.46Å; T1168-Y1170 VanDerWaalsContact C-N 3.3Å; T1168-Y1170 PolarHBondContact O-N 3.05Å; Y1170-I1174 HydrophobicContact CD1-CD1 4.09Å; Y1170-I1174 HydrophobicContact CD2-CD1 4.15Å; Y1170-I1174 HydrophobicContact CE1-CD1 3.57Å; Y1170-I1174 HydrophobicContact CE2-CD1 3.65Å; Y1170-I1174 HydrophobicContact CE2-CG1 4.4Å; Y1170-I1174 HydrophobicContact CG-CD1 4.37Å; Y1170-I1174 WeakPolarHBondContact O-CG1 3.47Å; Y1170-I1174 PolarHBondContact O-N 3.17Å; Y1170-I1174 VanDerWaalsContact O-N 3.14Å
1171	F	97.9	Very high	97	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-73.8	-35.7	179	-76.3	-69.1	0	0	0	113	F886 F889 T891 M911 I914 F1123 P1127 V1167 T1168 N1169 F1173 I1174 A1175	F886-F1171 HydrophobicContact CE1-CB 4.44Å; F889-F1171 HydrophobicContact CB-CD1 3.99Å; F889-F1171 HydrophobicContact CB-CE1 3.99Å; F889-F1171 AromaticContact CD2-CD1 3.73Å; F889-F1171 HydrophobicContact CD2-CD1 3.73Å; F889-F1171 HydrophobicContact CD2-CE1 4.43Å; F889-F1171 HydrophobicContact CG-CD1 4.16Å; F889-F1171 HydrophobicContact CG-CE1 4.44Å; T891-F1171 HydrophobicContact CG2-CE2 3.95Å; T891-F1171 HydrophobicContact CG2-CZ 4.02Å; M911-F1171 HydrophobicContact CE-CD2 4.19Å; M911-F1171 HydrophobicContact CE-CE1 4.29Å; M911-F1171 HydrophobicContact CE-CE2 3.97Å; M911-F1171 HydrophobicContact CE-CG 4.48Å; M911-F1171 HydrophobicContact CE-CZ 4Å; M911-F1171 HydrophobicContact SD-CD2 3.37Å; M911-F1171 WeakPolarHBondContact SD-CD2 3.44Å; M911-F1171 HydrophobicContact SD-CE2 3.17Å; M911-F1171 WeakPolarHBondContact SD-CE2 3.19Å; M911-F1171 HydrophobicContact SD-CG 4.16Å; M911-F1171 HydrophobicContact SD-CZ 3.8Å; I914-F1171 HydrophobicContact CD1-CB 3.72Å; I914-F1171 HydrophobicContact CD1-CD2 4.45Å; I914-F1171 HydrophobicContact CD1-CG 4.27Å; F1123-F1171 HydrophobicContact CB-CE1 4.24Å; F1123-F1171 HydrophobicContact CB-CZ 4.06Å; F1123-F1171 HydrophobicContact CD1-CE1 4.46Å; F1123-F1171 AromaticContact CD2-CE1 3.51Å; F1123-F1171 HydrophobicContact CD2-CE1 3.51Å; F1123-F1171 HydrophobicContact CD2-CZ 4.08Å; F1123-F1171 HydrophobicContact CE2-CD1 4.48Å; F1123-F1171 AromaticContact CE2-CE1 3.74Å; F1123-F1171 HydrophobicContact CE2-CE1 3.74Å; F1123-F1171 AromaticContact CG-CE1 3.86Å; F1123-F1171 HydrophobicContact CG-CE1 3.86Å; F1123-F1171 HydrophobicContact CG-CZ 4.19Å; F1123-F1171 HydrophobicContact CZ-CE1 4.28Å; P1127-F1171 HydrophobicContact CG-CE2 3.92Å; P1127-F1171 HydrophobicContact CG-CZ 3.77Å; V1167-F1171 HydrophobicContact CG1-CD2 3.79Å; V1167-F1171 HydrophobicContact CG1-CE2 3.63Å; V1167-F1171 VanDerWaalsContact O-CD2 3.25Å; V1167-F1171 WeakPolarHBondContact O-CD2 3.3Å; V1167-F1171 PolarHBondContact O-N 3.06Å; V1167-F1171 VanDerWaalsContact O-N 3.12Å; T1168-F1171 PolarHBondContact O-N 2.69Å; T1168-F1171 VanDerWaalsContact O-N 3.13Å; N1169-F1171 PolarHBondContact O-N 3.48Å; F1171-F1173 VanDerWaalsContact C-N 3.34Å; F1171-F1173 PolarHBondContact O-N 3.37Å; F1171-I1174 PolarHBondContact O-N 2.75Å; F1171-A1175 VanDerWaalsContact O-CB 3.32Å; F1171-A1175 WeakPolarHBondContact O-CB 3.23Å; F1171-A1175 PolarHBondContact O-N 2.92Å
1172	E	97.7	Very high	97.1	Very high	88 Å²	88	30.1 Å²	30.1	41%	0.411	14%	0.141	S	C	.	.	H	α-helix	trans	-60.4	-42.3	172.7	-74.9	-176	175.9	0	0	111.8	F886 T1168 N1169 A1175 R1176	F886-E1172 HydrophobicContact CE1-CG 4.48Å; F886-E1172 HydrophobicContact CZ-CG 3.89Å; T1168-E1172 HydrophobicContact CG2-CG 4.32Å; T1168-E1172 WeakPolarHBondContact O-CG 3.5Å; T1168-E1172 PolarHBondContact O-N 2.95Å; N1169-E1172 PolarHBondContact O-N 3.21Å; E1172-A1175 PolarHBondContact O-N 2.63Å; E1172-R1176 WeakPolarHBondContact O-CB 3.44Å; E1172-R1176 PolarHBondContact O-N 2.99Å
1173	F	98.2	Very high	97.2	Very high	12 Å²	12	30.4 Å²	30.4	5%	0.053	14%	0.143	C	C	.	.	H	α-helix	trans	-66.7	-44.2	176.1	-59.6	-33.1	0	0	0	112.9	A837 Y843 Y846 N1169 F1171 A1175 R1176 E1177	A837-F1173 HydrophobicContact CB-CE2 4.21Å; A837-F1173 WeakPolarHBondContact O-CE2 3.46Å; Y843-F1173 HydrophobicContact CD2-CB 4.16Å; Y843-F1173 AromaticContact CD2-CD1 3.71Å; Y843-F1173 HydrophobicContact CD2-CD1 3.71Å; Y843-F1173 HydrophobicContact CD2-CE1 4.43Å; Y843-F1173 HydrophobicContact CD2-CG 4.17Å; Y843-F1173 HydrophobicContact CE2-CB 4.32Å; Y846-F1173 HydrophobicContact CD1-CB 3.76Å; Y846-F1173 HydrophobicContact CD1-CG 4.42Å; Y846-F1173 HydrophobicContact CD2-CB 3.46Å; Y846-F1173 VanDerWaalsContact CD2-CB 3.46Å; Y846-F1173 AromaticContact CD2-CD2 3.58Å; Y846-F1173 HydrophobicContact CD2-CD2 3.58Å; Y846-F1173 AromaticContact CD2-CG 3.89Å; Y846-F1173 HydrophobicContact CD2-CG 3.89Å; Y846-F1173 HydrophobicContact CE1-CB 4.03Å; Y846-F1173 HydrophobicContact CE2-CB 3.73Å; Y846-F1173 HydrophobicContact CE2-CD2 4.48Å; Y846-F1173 HydrophobicContact CG-CB 3.46Å; Y846-F1173 VanDerWaalsContact CG-CB 3.46Å; Y846-F1173 AromaticContact CG-CD2 3.76Å; Y846-F1173 HydrophobicContact CG-CD2 3.76Å; Y846-F1173 AromaticContact CG-CG 3.78Å; Y846-F1173 HydrophobicContact CG-CG 3.78Å; N1169-F1173 HydrophobicContact CB-CE2 4.05Å; N1169-F1173 HydrophobicContact CB-CZ 4.25Å; N1169-F1173 WeakPolarHBondContact O-CD2 3.49Å; N1169-F1173 WeakPolarHBondContact O-CG 3.27Å; N1169-F1173 PolarHBondContact O-N 2.72Å; F1171-F1173 VanDerWaalsContact C-N 3.34Å; F1171-F1173 PolarHBondContact O-N 3.37Å; F1173-A1175 VanDerWaalsContact C-N 3.34Å; F1173-A1175 PolarHBondContact O-N 3.33Å; F1173-R1176 PolarHBondContact O-N 3.34Å; F1173-E1177 PolarHBondContact O-N 2.8Å
1174	I	97.5	Very high	97.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.4	-44.2	174.9	-72.9	167.8	0	0	0	110.8	Y846 F889 I1110 F1123 Y1170 F1171 R1176 E1177 T1178	Y846-I1174 HydrophobicContact CE2-CG1 4.29Å; Y846-I1174 WeakPolarHBondContact OH-CG1 3.21Å; F889-I1174 HydrophobicContact CE2-CG2 3.94Å; F889-I1174 HydrophobicContact CZ-CG2 3.84Å; I1110-I1174 HydrophobicContact CG1-CG2 4.02Å; F1123-I1174 HydrophobicContact CD1-CD1 4.39Å; F1123-I1174 HydrophobicContact CE1-CD1 3.8Å; F1123-I1174 HydrophobicContact CZ-CD1 4.34Å; F1123-I1174 HydrophobicContact CZ-CG2 4.29Å; Y1170-I1174 HydrophobicContact CD1-CD1 4.09Å; Y1170-I1174 HydrophobicContact CD2-CD1 4.15Å; Y1170-I1174 HydrophobicContact CE1-CD1 3.57Å; Y1170-I1174 HydrophobicContact CE2-CD1 3.65Å; Y1170-I1174 HydrophobicContact CE2-CG1 4.4Å; Y1170-I1174 HydrophobicContact CG-CD1 4.37Å; Y1170-I1174 WeakPolarHBondContact O-CG1 3.47Å; Y1170-I1174 PolarHBondContact O-N 3.17Å; Y1170-I1174 VanDerWaalsContact O-N 3.14Å; F1171-I1174 PolarHBondContact O-N 2.75Å; I1174-R1176 VanDerWaalsContact C-N 3.29Å; I1174-R1176 PolarHBondContact O-N 2.9Å; I1174-E1177 PolarHBondContact O-N 3.1Å; I1174-T1178 VanDerWaalsContact O-CB 3.3Å; I1174-T1178 WeakPolarHBondContact O-CB 3.41Å; I1174-T1178 PolarHBondContact O-N 3.29Å; I1174-T1178 PolarHBondContact O-OG1 2.81Å
1175	A	97.5	Very high	97	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.4	-40.2	176.5	0	0	0	0	0	111.1	A882 L885 F886 F889 F1171 E1172 F1173 R1179	A882-A1175 HydrophobicContact CB-CB 3.89Å; L885-A1175 HydrophobicContact CB-CB 4.42Å; L885-A1175 HydrophobicContact CD1-CB 4.16Å; F886-A1175 HydrophobicContact CD1-CB 4.23Å; F886-A1175 HydrophobicContact CE1-CB 3.52Å; F886-A1175 HydrophobicContact CZ-CB 4.13Å; F889-A1175 HydrophobicContact CE2-CB 4.05Å; F1171-A1175 VanDerWaalsContact O-CB 3.32Å; F1171-A1175 WeakPolarHBondContact O-CB 3.23Å; F1171-A1175 PolarHBondContact O-N 2.92Å; E1172-A1175 PolarHBondContact O-N 2.63Å; F1173-A1175 VanDerWaalsContact C-N 3.34Å; F1173-A1175 PolarHBondContact O-N 3.33Å; A1175-R1179 VanDerWaalsContact O-CG 3.23Å; A1175-R1179 WeakPolarHBondContact O-CG 3.5Å; A1175-R1179 PolarHBondContact O-N 2.64Å
1176	R	97.4	Very high	96.9	Very high	122 Å²	122	28 Å²	28	46%	0.46	14%	0.136	S	C	.	.	H	α-helix	trans	-64.1	-50.5	176.1	-177.9	173.6	173.5	171.8	-2.8	112.4	Y843 E1172 F1173 I1174 T1178 R1179 E1180	Y843-R1176 HydrophobicContact CD2-CG 4.49Å; Y843-R1176 HydrophobicContact CE1-CG 4.15Å; Y843-R1176 VanDerWaalsContact CE1-NE 3.31Å; Y843-R1176 HydrophobicContact CE2-CB 4.05Å; Y843-R1176 HydrophobicContact CE2-CG 3.95Å; E1172-R1176 WeakPolarHBondContact O-CB 3.44Å; E1172-R1176 PolarHBondContact O-N 2.99Å; F1173-R1176 PolarHBondContact O-N 3.34Å; I1174-R1176 VanDerWaalsContact C-N 3.29Å; I1174-R1176 PolarHBondContact O-N 2.9Å; R1176-T1178 VanDerWaalsContact C-N 3.3Å; R1176-T1178 PolarHBondContact O-N 3.02Å; R1176-R1179 PolarHBondContact O-N 2.87Å; R1176-E1180 WeakPolarHBondContact CG-OE1 3.48Å; R1176-E1180 IonicContact CZ-OE1 3.67Å; R1176-E1180 IonicContact NE-OE1 2.65Å; R1176-E1180 PolarHBondContact NE-OE1 2.87Å; R1176-E1180 IonicContact NH2-OE1 2.92Å; R1176-E1180 PolarHBondContact NH2-OE1 2.88Å; R1176-E1180 WeakPolarHBondContact O-CG 3.36Å; R1176-E1180 PolarHBondContact O-N 3.22Å
1177	E	97.8	Very high	96.6	Very high	19 Å²	19	27.7 Å²	27.7	9%	0.089	14%	0.135	C	C	.	.	H	α-helix	trans	-59.2	-43.2	176.9	-173	-172.1	-176.8	0	0	110.6	Y843 Y846 N854 T1106 G1107 F1173 I1174 R1179 E1180 L1181	Y843-E1177 WeakPolarHBondContact OH-CA 3.44Å; Y843-E1177 PolarHBondContact OH-N 3.39Å; Y846-E1177 HydrophobicContact CE1-CB 4.17Å; Y846-E1177 WeakPolarHBondContact CE1-OE2 3.31Å; Y846-E1177 PolarHBondContact OH-OE2 3.08Å; N854-E1177 PolarHBondContact ND2-OE1 2.95Å; T1106-E1177 WeakPolarHBondContact CB-OE2 3.35Å; G1107-E1177 WeakPolarHBondContact CA-OE2 3.4Å; G1107-E1177 PolarHBondContact N-OE2 3.42Å; F1173-E1177 PolarHBondContact O-N 2.8Å; I1174-E1177 PolarHBondContact O-N 3.1Å; E1177-R1179 PolarHBondContact O-N 3.1Å; E1177-E1180 PolarHBondContact O-N 3.49Å; E1177-L1181 HydrophobicContact CG-CD1 4.08Å; E1177-L1181 VanDerWaalsContact O-CG 3.32Å; E1177-L1181 WeakPolarHBondContact O-CG 3.42Å; E1177-L1181 PolarHBondContact O-N 3.16Å
1178	T	97.6	Very high	96.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.6	-45.7	176.5	-54.5	0	0	0	0	111	L885 G1107 I1110 I1111 I1174 R1176 L1181 M1182 L1190	L885-T1178 HydrophobicContact CD1-CG2 4.04Å; G1107-T1178 WeakPolarHBondContact CA-OG1 3.27Å; I1110-T1178 HydrophobicContact CB-CG2 4.48Å; I1110-T1178 HydrophobicContact CG2-CG2 3.98Å; I1111-T1178 HydrophobicContact CD1-CG2 3.89Å; I1111-T1178 HydrophobicContact CG1-CG2 4.44Å; I1174-T1178 VanDerWaalsContact O-CB 3.3Å; I1174-T1178 WeakPolarHBondContact O-CB 3.41Å; I1174-T1178 PolarHBondContact O-N 3.29Å; I1174-T1178 PolarHBondContact O-OG1 2.81Å; R1176-T1178 VanDerWaalsContact C-N 3.3Å; R1176-T1178 PolarHBondContact O-N 3.02Å; T1178-L1181 PolarHBondContact O-N 2.71Å; T1178-M1182 HydrophobicContact CG2-SD 4.11Å; T1178-M1182 WeakPolarHBondContact O-CB 3.49Å; T1178-M1182 VanDerWaalsContact O-CG 3.23Å; T1178-M1182 WeakPolarHBondContact O-CG 3.45Å; T1178-M1182 PolarHBondContact O-N 3.42Å; T1178-L1190 HydrophobicContact CG2-CD1 3.94Å
1179	R	97.7	Very high	96.4	Very high	43 Å²	43	34.6 Å²	34.6	16%	0.162	17%	0.165	C	C	.	.	H	α-helix	trans	-67.3	-37.5	177.3	-67.5	173.1	80.3	-103.7	-8.9	112.8	I876 V879 E880 L885 A1175 R1176 E1177 L1181 M1182 A1183	I876-R1179 HydrophobicContact CD1-CB 4.2Å; I876-R1179 HydrophobicContact CG1-CB 4.1Å; I876-R1179 PolarHBondContact O-NH2 3.38Å; V879-R1179 HydrophobicContact CG1-CB 4.07Å; V879-R1179 HydrophobicContact CG1-CG 3.97Å; V879-R1179 PolarHBondContact O-NH2 2.92Å; E880-R1179 WeakPolarHBondContact O-CD 3.38Å; E880-R1179 PolarHBondContact O-NE 3.21Å; L885-R1179 HydrophobicContact CD1-CG 3.67Å; A1175-R1179 VanDerWaalsContact O-CG 3.23Å; A1175-R1179 WeakPolarHBondContact O-CG 3.5Å; A1175-R1179 PolarHBondContact O-N 2.64Å; R1176-R1179 PolarHBondContact O-N 2.87Å; E1177-R1179 PolarHBondContact O-N 3.1Å; R1179-L1181 VanDerWaalsContact C-N 3.34Å; R1179-M1182 PolarHBondContact O-N 3.43Å; R1179-A1183 WeakPolarHBondContact O-CB 3.27Å; R1179-A1183 PolarHBondContact O-N 2.85Å
1180	E	96.3	Very high	96.4	Very high	48 Å²	48	33.5 Å²	33.5	22%	0.224	16%	0.159	C	C	.	.	H	α-helix	trans	-63.1	-40.3	174.8	-74.4	172.2	-176.2	0	0	110.9	Y843 I876 R1176 E1177 Q1184	Y843-E1180 WeakPolarHBondContact CE1-OE1 3.44Å; Y843-E1180 WeakPolarHBondContact CE1-OE2 3.42Å; Y843-E1180 PolarHBondContact OH-OE2 3.27Å; I876-E1180 HydrophobicContact CD1-CB 4.47Å; I876-E1180 HydrophobicContact CD1-CG 3.52Å; R1176-E1180 WeakPolarHBondContact CG-OE1 3.48Å; R1176-E1180 IonicContact CZ-OE1 3.67Å; R1176-E1180 IonicContact NE-OE1 2.65Å; R1176-E1180 PolarHBondContact NE-OE1 2.87Å; R1176-E1180 IonicContact NH2-OE1 2.92Å; R1176-E1180 PolarHBondContact NH2-OE1 2.88Å; R1176-E1180 WeakPolarHBondContact O-CG 3.36Å; R1176-E1180 PolarHBondContact O-N 3.22Å; E1177-E1180 PolarHBondContact O-N 3.49Å; E1180-Q1184 WeakPolarHBondContact O-CG 3.36Å; E1180-Q1184 PolarHBondContact O-N 3Å
1181	L	95.8	Very high	96.2	Very high	26 Å²	26	34.2 Å²	34.2	14%	0.136	16%	0.164	C	C	.	.	H	α-helix	trans	-71.8	-41.4	175.3	-68	167.1	0	0	0	113.1	V1108 I1111 E1177 T1178 R1179 A1183 Q1184 L1185	V1108-L1181 HydrophobicContact CB-CD1 4.47Å; V1108-L1181 HydrophobicContact CG2-CD1 3.73Å; I1111-L1181 HydrophobicContact CD1-CB 4.12Å; I1111-L1181 HydrophobicContact CG1-CB 3.77Å; I1111-L1181 HydrophobicContact CG1-CD1 3.83Å; I1111-L1181 HydrophobicContact CG1-CG 4.46Å; E1177-L1181 HydrophobicContact CG-CD1 4.08Å; E1177-L1181 VanDerWaalsContact O-CG 3.32Å; E1177-L1181 WeakPolarHBondContact O-CG 3.42Å; E1177-L1181 PolarHBondContact O-N 3.16Å; T1178-L1181 PolarHBondContact O-N 2.71Å; R1179-L1181 VanDerWaalsContact C-N 3.34Å; L1181-A1183 VanDerWaalsContact C-N 3.3Å; L1181-A1183 PolarHBondContact O-N 2.91Å; L1181-Q1184 PolarHBondContact O-N 3.36Å; L1181-L1185 WeakPolarHBondContact O-CG 3.28Å; L1181-L1185 PolarHBondContact O-N 2.86Å
1182	M	96.4	Very high	96	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-57.9	-43.3	173.1	-75.3	172.7	72	0	0	111.7	V879 E880 I1111 T1178 R1179 Q1184 L1185 G1186 V1187 L1190 L1193	V879-M1182 HydrophobicContact CG1-CB 3.95Å; V879-M1182 HydrophobicContact CG1-CE 3.73Å; V879-M1182 HydrophobicContact CG1-SD 3.95Å; V879-M1182 HydrophobicContact CG2-CB 4.37Å; E880-M1182 HydrophobicContact CG-CE 4.44Å; I1111-M1182 HydrophobicContact CD1-CG 3.72Å; T1178-M1182 HydrophobicContact CG2-SD 4.11Å; T1178-M1182 WeakPolarHBondContact O-CB 3.49Å; T1178-M1182 VanDerWaalsContact O-CG 3.23Å; T1178-M1182 WeakPolarHBondContact O-CG 3.45Å; T1178-M1182 PolarHBondContact O-N 3.42Å; R1179-M1182 PolarHBondContact O-N 3.43Å; M1182-Q1184 PolarHBondContact O-N 2.96Å; M1182-L1185 PolarHBondContact O-N 3.25Å; M1182-G1186 PolarHBondContact O-N 3.41Å; M1182-G1186 VanDerWaalsContact O-N 3.1Å; M1182-V1187 CarbonylContact C-O 3.3Å; M1182-V1187 WeakPolarHBondContact CB-O 3.43Å; M1182-V1187 PolarHBondContact O-N 3.38Å; M1182-L1190 HydrophobicContact CE-CB 4.2Å; M1182-L1190 HydrophobicContact CE-CD1 4.49Å; M1182-L1190 HydrophobicContact CG-CD1 4.49Å; M1182-L1190 HydrophobicContact SD-CB 4.47Å; M1182-L1190 HydrophobicContact SD-CD1 3.81Å; M1182-L1193 HydrophobicContact CG-CD1 4.29Å
1183	A	95.5	Very high	95.9	Very high	10 Å²	10	32.7 Å²	32.7	8%	0.083	16%	0.158	C	C	.	.	H	α-helix	trans	-60.4	-44.7	175.6	0	0	0	0	0	111.9	A873 V874 I876 V879 R1179 L1181 L1185 G1186	A873-A1183 CarbonylContact C-O 3.5Å; A873-A1183 VanDerWaalsContact CA-O 3.26Å; A873-A1183 WeakPolarHBondContact CA-O 3.43Å; A873-A1183 WeakPolarHBondContact CB-O 3.05Å; V874-A1183 HydrophobicContact CG2-CB 4.45Å; V874-A1183 PolarHBondContact N-O 3.47Å; I876-A1183 HydrophobicContact CB-CB 4.28Å; V879-A1183 HydrophobicContact CG2-CB 3.93Å; R1179-A1183 WeakPolarHBondContact O-CB 3.27Å; R1179-A1183 PolarHBondContact O-N 2.85Å; L1181-A1183 VanDerWaalsContact C-N 3.3Å; L1181-A1183 PolarHBondContact O-N 2.91Å; A1183-L1185 VanDerWaalsContact C-N 3.3Å; A1183-L1185 PolarHBondContact O-N 3.29Å; A1183-G1186 PolarHBondContact O-N 3Å; A1183-G1186 VanDerWaalsContact O-N 3.12Å
1184	Q	94.3	Very high	95.8	Very high	116 Å²	116	32.4 Å²	32.4	54%	0.542	16%	0.157	S	C	.	.	H	α-helix	trans	-64.6	-30.8	175.6	-70.2	171.7	27.9	0	0	113.5	G870 E1180 L1181 M1182 G1186	G870-Q1184 PolarHBondContact N-O 2.97Å; E1180-Q1184 WeakPolarHBondContact O-CG 3.36Å; E1180-Q1184 PolarHBondContact O-N 3Å; L1181-Q1184 PolarHBondContact O-N 3.36Å; M1182-Q1184 PolarHBondContact O-N 2.96Å; Q1184-G1186 VanDerWaalsContact C-N 3.3Å
1185	L	94.4	Very high	95.3	Very high	11 Å²	11	32.9 Å²	32.9	6%	0.058	16%	0.162	C	C	.	.	H	α-helix	trans	-79	-10.6	174.4	-74.6	170.8	0	0	0	113.7	I867 T868 I1111 L1181 M1182 A1183 V1187 L1193 L1199	I867-L1185 HydrophobicContact CG2-CD1 4.11Å; I867-L1185 HydrophobicContact CG2-CD2 3.71Å; I867-L1185 HydrophobicContact CG2-CG 4.19Å; T868-L1185 WeakPolarHBondContact O-CD2 3.34Å; I1111-L1185 HydrophobicContact CG2-CD1 3.69Å; L1181-L1185 WeakPolarHBondContact O-CG 3.28Å; L1181-L1185 PolarHBondContact O-N 2.86Å; M1182-L1185 PolarHBondContact O-N 3.25Å; A1183-L1185 VanDerWaalsContact C-N 3.3Å; A1183-L1185 PolarHBondContact O-N 3.29Å; L1185-V1187 HydrophobicContact CB-CG2 4.25Å; L1185-L1193 HydrophobicContact CD1-CD2 3.93Å; L1185-L1199 HydrophobicContact CD2-CB 4.38Å; L1185-L1199 HydrophobicContact CD2-CD1 4.33Å; L1185-L1199 HydrophobicContact CD2-CD2 4.27Å
1186	G	93.6	Very high	95	Very high	28 Å²	28	37.6 Å²	37.6	29%	0.289	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	22.6	-176.8	0	0	0	0	0	114.1	N872 M1182 A1183 Q1184	N872-G1186 WeakPolarHBondContact O-CA 3.4Å; M1182-G1186 PolarHBondContact O-N 3.41Å; M1182-G1186 VanDerWaalsContact O-N 3.1Å; A1183-G1186 PolarHBondContact O-N 3Å; A1183-G1186 VanDerWaalsContact O-N 3.12Å; Q1184-G1186 VanDerWaalsContact C-N 3.3Å
1187	V	93.2	Very high	94.8	Very high	14 Å²	14	32.6 Å²	32.6	9%	0.085	16%	0.163	C	C	.	.			trans	-116.5	129.8	-172.4	-178.6	0	0	0	0	110.6	M1182 L1185 R1189 D1192 L1193	M1182-V1187 CarbonylContact C-O 3.3Å; M1182-V1187 WeakPolarHBondContact CB-O 3.43Å; M1182-V1187 PolarHBondContact O-N 3.38Å; L1185-V1187 HydrophobicContact CB-CG2 4.25Å; V1187-R1189 VanDerWaalsContact CG1-O 3.27Å; V1187-R1189 WeakPolarHBondContact CG1-O 3.16Å; V1187-D1192 HydrophobicContact CG1-CB 3.71Å; V1187-L1193 HydrophobicContact CB-CD2 4.15Å; V1187-L1193 HydrophobicContact CG1-CD2 4.17Å; V1187-L1193 HydrophobicContact CG1-CG 4.14Å; V1187-L1193 HydrophobicContact CG2-CD2 3.87Å
1188	T	95.1	Very high	94.5	Very high	52 Å²	52	36.2 Å²	36.2	32%	0.319	18%	0.183	S	C	.	.	S	Bend	trans	-96.5	-20.2	-174.9	53.4	0	0	0	0	114.6	V874 D878 E880	V874-T1188 HydrophobicContact CG2-CG2 4.2Å; D878-T1188 HydrophobicContact CB-CG2 4.13Å; D878-T1188 WeakPolarHBondContact O-CB 3.05Å; D878-T1188 WeakPolarHBondContact O-CG2 3.48Å; E880-T1188 PolarHBondContact N-O 2.77Å
1189	R	95.8	Very high	94.3	Very high	114 Å²	114	36.9 Å²	36.9	43%	0.43	19%	0.186	S	C	.	.	S	Bend	trans	-131.3	139	178.5	-46.9	176.9	-62.4	171.9	4.6	110.6	V1187 V1191 D1192	V1187-R1189 VanDerWaalsContact CG1-O 3.27Å; V1187-R1189 WeakPolarHBondContact CG1-O 3.16Å; R1189-V1191 HydrophobicContact CB-CG2 4.16Å; R1189-V1191 PolarHBondContact O-N 3.26Å; R1189-D1192 WeakPolarHBondContact CB-OD2 3.27Å; R1189-D1192 IonicContact CZ-OD1 2.78Å; R1189-D1192 IonicContact CZ-OD2 3.21Å; R1189-D1192 IonicContact NE-OD1 3.61Å; R1189-D1192 IonicContact NE-OD2 3.01Å; R1189-D1192 PolarHBondContact NE-OD2 3.16Å; R1189-D1192 VanDerWaalsContact NH2-CG 3.33Å; R1189-D1192 IonicContact NH2-OD1 2.75Å; R1189-D1192 PolarHBondContact NH2-OD1 3.42Å; R1189-D1192 IonicContact NH2-OD2 2.82Å; R1189-D1192 PolarHBondContact NH2-OD2 3.47Å; R1189-D1192 VanDerWaalsContact NH2-OD2 3.13Å; R1189-D1192 WeakPolarHBondContact O-CB 3.29Å; R1189-D1192 PolarHBondContact O-N 2.92Å
1190	L	95.8	Very high	94.2	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-61.4	-32.2	-174	-165.1	79.5	0	0	0	112.4	E880 L885 A1114 F1121 T1178 M1182 D1192 L1193	E880-L1190 VanDerWaalsContact OE1-CB 3.28Å; E880-L1190 WeakPolarHBondContact OE1-CB 3.4Å; E880-L1190 PolarHBondContact OE1-N 3.34Å; L885-L1190 HydrophobicContact CD2-CB 4.17Å; L885-L1190 HydrophobicContact CD2-CD1 4.29Å; L885-L1190 HydrophobicContact CD2-CD2 4.12Å; L885-L1190 HydrophobicContact CD2-CG 4.44Å; A1114-L1190 HydrophobicContact CB-CD1 4.31Å; A1114-L1190 HydrophobicContact CB-CG 4.27Å; F1121-L1190 HydrophobicContact CE2-CD2 3.59Å; F1121-L1190 HydrophobicContact CZ-CD2 3.87Å; T1178-L1190 HydrophobicContact CG2-CD1 3.94Å; M1182-L1190 HydrophobicContact CE-CB 4.2Å; M1182-L1190 HydrophobicContact CE-CD1 4.49Å; M1182-L1190 HydrophobicContact CG-CD1 4.49Å; M1182-L1190 HydrophobicContact SD-CB 4.47Å; M1182-L1190 HydrophobicContact SD-CD1 3.81Å; L1190-D1192 PolarHBondContact O-N 3.48Å; L1190-L1193 HydrophobicContact CD1-CD1 4.03Å; L1190-L1193 WeakPolarHBondContact O-CB 3.38Å; L1190-L1193 PolarHBondContact O-N 3.07Å; L1190-L1193 VanDerWaalsContact O-N 3.16Å
1191	V	95.4	Very high	94.1	Very high	15 Å²	15	38.7 Å²	38.7	9%	0.091	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-64.9	-23.1	178.1	-64.2	0	0	0	0	113.8	R888 R1189 L1193 I1194 Y1231	R888-V1191 VanDerWaalsContact NH2-CG1 3.32Å; R1189-V1191 HydrophobicContact CB-CG2 4.16Å; R1189-V1191 PolarHBondContact O-N 3.26Å; V1191-L1193 PolarHBondContact O-N 2.76Å; V1191-I1194 HydrophobicContact CB-CD1 4.2Å; V1191-I1194 HydrophobicContact CG1-CD1 4.19Å; V1191-I1194 WeakPolarHBondContact O-CB 3.5Å; V1191-I1194 PolarHBondContact O-N 3.01Å; V1191-Y1231 HydrophobicContact CB-CD1 4.1Å; V1191-Y1231 HydrophobicContact CB-CD2 4.13Å; V1191-Y1231 HydrophobicContact CB-CE1 4.04Å; V1191-Y1231 HydrophobicContact CB-CE2 4.08Å; V1191-Y1231 HydrophobicContact CB-CG 4.15Å; V1191-Y1231 HydrophobicContact CG1-CD2 4.07Å; V1191-Y1231 HydrophobicContact CG1-CE2 4.24Å; V1191-Y1231 HydrophobicContact CG1-CG 4.37Å; V1191-Y1231 HydrophobicContact CG2-CE1 4.32Å; V1191-Y1231 HydrophobicContact CG2-CE2 4.27Å
1192	D	94	Very high	93.9	Very high	56 Å²	56	40.9 Å²	40.9	30%	0.299	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-78.5	-6	178.7	-61.9	-39.2	0	0	0	112.3	V1187 R1189 L1190 R1196	V1187-D1192 HydrophobicContact CG1-CB 3.71Å; R1189-D1192 WeakPolarHBondContact CB-OD2 3.27Å; R1189-D1192 IonicContact CZ-OD1 2.78Å; R1189-D1192 IonicContact CZ-OD2 3.21Å; R1189-D1192 IonicContact NE-OD1 3.61Å; R1189-D1192 IonicContact NE-OD2 3.01Å; R1189-D1192 PolarHBondContact NE-OD2 3.16Å; R1189-D1192 VanDerWaalsContact NH2-CG 3.33Å; R1189-D1192 IonicContact NH2-OD1 2.75Å; R1189-D1192 PolarHBondContact NH2-OD1 3.42Å; R1189-D1192 IonicContact NH2-OD2 2.82Å; R1189-D1192 PolarHBondContact NH2-OD2 3.47Å; R1189-D1192 VanDerWaalsContact NH2-OD2 3.13Å; R1189-D1192 WeakPolarHBondContact O-CB 3.29Å; R1189-D1192 PolarHBondContact O-N 2.92Å; L1190-D1192 PolarHBondContact O-N 3.48Å; D1192-R1196 WeakPolarHBondContact O-CG 3.31Å
1193	L	94.9	Very high	93.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-83.8	-20.3	167.3	-64.2	172.7	0	0	0	112.9	I1111 A1114 I1115 M1182 L1185 V1187 L1190 V1191 G1195 R1196 L1199	I1111-L1193 HydrophobicContact CD1-CD1 3.68Å; I1111-L1193 HydrophobicContact CG2-CD1 4.48Å; A1114-L1193 HydrophobicContact CB-CB 4.28Å; A1114-L1193 HydrophobicContact CB-CD1 4.26Å; I1115-L1193 WeakPolarHBondContact CA-O 3.28Å; I1115-L1193 HydrophobicContact CG1-CB 4.12Å; I1115-L1193 HydrophobicContact CG1-CD2 4.4Å; M1182-L1193 HydrophobicContact CG-CD1 4.29Å; L1185-L1193 HydrophobicContact CD1-CD2 3.93Å; V1187-L1193 HydrophobicContact CB-CD2 4.15Å; V1187-L1193 HydrophobicContact CG1-CD2 4.17Å; V1187-L1193 HydrophobicContact CG1-CG 4.14Å; V1187-L1193 HydrophobicContact CG2-CD2 3.87Å; L1190-L1193 HydrophobicContact CD1-CD1 4.03Å; L1190-L1193 WeakPolarHBondContact O-CB 3.38Å; L1190-L1193 PolarHBondContact O-N 3.07Å; L1190-L1193 VanDerWaalsContact O-N 3.16Å; V1191-L1193 PolarHBondContact O-N 2.76Å; L1193-G1195 PolarHBondContact O-N 3.22Å; L1193-R1196 VanDerWaalsContact O-CB 3.25Å; L1193-R1196 WeakPolarHBondContact O-CB 3.39Å; L1193-R1196 PolarHBondContact O-N 3.15Å; L1193-L1199 HydrophobicContact CD2-CD1 3.78Å
1194	I	94.9	Very high	93.4	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.031	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	118	-165.9	-63.3	172.8	0	0	0	111	A1114 E1119 V1191 R1196 Y1231	A1114-I1194 WeakPolarHBondContact O-CA 3.14Å; E1119-I1194 HydrophobicContact CB-CD1 4.48Å; E1119-I1194 HydrophobicContact CG-CD1 3.37Å; V1191-I1194 HydrophobicContact CB-CD1 4.2Å; V1191-I1194 HydrophobicContact CG1-CD1 4.19Å; V1191-I1194 WeakPolarHBondContact O-CB 3.5Å; V1191-I1194 PolarHBondContact O-N 3.01Å; I1194-R1196 VanDerWaalsContact C-N 3.33Å; I1194-Y1231 HydrophobicContact CD1-CG 4.31Å
1195	G	87.6	Confident	93	Very high	9 Å²	9	45.6 Å²	45.6	9%	0.093	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	10.1	-173.9	0	0	0	0	0	114.3	I1115 L1193 T1197 T1221	I1115-G1195 WeakPolarHBondContact O-CA 3.31Å; I1115-G1195 PolarHBondContact O-N 3.02Å; L1193-G1195 PolarHBondContact O-N 3.22Å; G1195-T1197 PolarHBondContact O-N 3.34Å; G1195-T1197 VanDerWaalsContact O-N 3.09Å; G1195-T1221 PolarHBondContact O-OG1 2.86Å; G1195-T1221 VanDerWaalsContact O-OG1 3.11Å
1196	R	92	Very high	92.7	Very high	99 Å²	99	52.7 Å²	52.7	37%	0.374	26%	0.264	S	S	.	.			trans	-84.8	55.9	174	-67.2	-63.5	-55.2	-76.9	-4	111.8	I1115 D1192 L1193 I1194 D1198 L1199	I1115-R1196 VanDerWaalsContact CG2-C 3.5Å; I1115-R1196 WeakPolarHBondContact CG2-O 3.22Å; D1192-R1196 WeakPolarHBondContact O-CG 3.31Å; L1193-R1196 VanDerWaalsContact O-CB 3.25Å; L1193-R1196 WeakPolarHBondContact O-CB 3.39Å; L1193-R1196 PolarHBondContact O-N 3.15Å; I1194-R1196 VanDerWaalsContact C-N 3.33Å; R1196-D1198 VanDerWaalsContact CA-OD1 3.25Å; R1196-D1198 WeakPolarHBondContact CA-OD1 3.33Å; R1196-D1198 IonicContact CZ-OD1 2.75Å; R1196-D1198 IonicContact CZ-OD2 3.19Å; R1196-D1198 IonicContact NE-OD1 2.7Å; R1196-D1198 PolarHBondContact NE-OD1 2.98Å; R1196-D1198 IonicContact NE-OD2 3.81Å; R1196-D1198 PolarHBondContact NE-OD2 3.37Å; R1196-D1198 IonicContact NH2-OD1 2.8Å; R1196-D1198 IonicContact NH2-OD2 2.57Å; R1196-D1198 PolarHBondContact NH2-OD2 2.95Å; R1196-D1198 PolarHBondContact O-N 2.96Å; R1196-D1198 VanDerWaalsContact O-N 3.12Å; R1196-L1199 HydrophobicContact CB-CD1 3.73Å; R1196-L1199 HydrophobicContact CB-CG 4.03Å; R1196-L1199 HydrophobicContact CG-CD1 4.46Å; R1196-L1199 WeakPolarHBondContact O-CB 3.37Å; R1196-L1199 PolarHBondContact O-N 2.82Å
1197	T	92.6	Very high	92.5	Very high	18 Å²	18	53 Å²	53	11%	0.11	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-61.3	-18.7	-178.8	54.8	0	0	0	0	113.1	I1115 G1195 L1199 L1200 L1219 T1221	I1115-T1197 HydrophobicContact CG2-CG2 4.39Å; G1195-T1197 PolarHBondContact O-N 3.34Å; G1195-T1197 VanDerWaalsContact O-N 3.09Å; T1197-L1199 PolarHBondContact O-N 2.92Å; T1197-L1200 PolarHBondContact O-N 3.46Å; T1197-L1219 WeakPolarHBondContact CB-O 3.3Å; T1197-L1219 PolarHBondContact OG1-O 2.88Å; T1197-T1221 WeakPolarHBondContact CG2-OG1 3.4Å; T1197-T1221 PolarHBondContact OG1-OG1 2.79Å
1198	D	91.3	Very high	92.4	Very high	94 Å²	94	54.9 Å²	54.9	50%	0.503	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-60	-21	169.3	64.9	-66.2	0	0	0	114.1	R1196 L1200	R1196-D1198 VanDerWaalsContact CA-OD1 3.25Å; R1196-D1198 WeakPolarHBondContact CA-OD1 3.33Å; R1196-D1198 IonicContact CZ-OD1 2.75Å; R1196-D1198 IonicContact CZ-OD2 3.19Å; R1196-D1198 IonicContact NE-OD1 2.7Å; R1196-D1198 PolarHBondContact NE-OD1 2.98Å; R1196-D1198 IonicContact NE-OD2 3.81Å; R1196-D1198 PolarHBondContact NE-OD2 3.37Å; R1196-D1198 IonicContact NH2-OD1 2.8Å; R1196-D1198 IonicContact NH2-OD2 2.57Å; R1196-D1198 PolarHBondContact NH2-OD2 2.95Å; R1196-D1198 PolarHBondContact O-N 2.96Å; R1196-D1198 VanDerWaalsContact O-N 3.12Å; D1198-L1200 VanDerWaalsContact C-N 3.26Å; D1198-L1200 PolarHBondContact O-N 2.83Å
1199	L	94.1	Very high	92.3	Very high	15 Å²	15	53.4 Å²	53.4	8%	0.079	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-82.7	0.3	173.5	-58.5	177.5	0	0	0	113.2	T868 I1115 L1185 L1193 R1196 T1197	T868-L1199 PolarHBondContact N-O 3.34Å; I1115-L1199 HydrophobicContact CD1-CB 3.93Å; L1185-L1199 HydrophobicContact CD2-CB 4.38Å; L1185-L1199 HydrophobicContact CD2-CD1 4.33Å; L1185-L1199 HydrophobicContact CD2-CD2 4.27Å; L1193-L1199 HydrophobicContact CD2-CD1 3.78Å; R1196-L1199 HydrophobicContact CB-CD1 3.73Å; R1196-L1199 HydrophobicContact CB-CG 4.03Å; R1196-L1199 HydrophobicContact CG-CD1 4.46Å; R1196-L1199 WeakPolarHBondContact O-CB 3.37Å; R1196-L1199 PolarHBondContact O-N 2.82Å; T1197-L1199 PolarHBondContact O-N 2.92Å
1200	L	95	Very high	92.1	Very high	10 Å²	10	48.4 Å²	48.4	5%	0.052	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	147.7	173.3	-64.9	176.5	0	0	0	111.3	L865 A866 I867 K1112 I1115 L1116 T1197 D1198 L1219	L865-L1200 HydrophobicContact CD1-CD1 4.41Å; A866-L1200 CarbonylContact O-C 3.34Å; A866-L1200 WeakPolarHBondContact O-CA 3.26Å; I867-L1200 HydrophobicContact CG1-CD2 4.1Å; K1112-L1200 HydrophobicContact CG-CD2 4.09Å; I1115-L1200 HydrophobicContact CB-CD1 4.13Å; I1115-L1200 HydrophobicContact CB-CG 4.42Å; I1115-L1200 HydrophobicContact CD1-CD2 4.01Å; I1115-L1200 HydrophobicContact CD1-CG 4.04Å; I1115-L1200 HydrophobicContact CG2-CD1 3.58Å; I1115-L1200 HydrophobicContact CG2-CG 3.81Å; L1116-L1200 HydrophobicContact CD2-CD1 3.95Å; L1116-L1200 HydrophobicContact CG-CD1 4.19Å; T1197-L1200 PolarHBondContact O-N 3.46Å; D1198-L1200 VanDerWaalsContact C-N 3.26Å; D1198-L1200 PolarHBondContact O-N 2.83Å; L1200-L1219 HydrophobicContact CB-CD2 3.72Å; L1200-L1219 HydrophobicContact CD1-CD2 4.18Å
1201	K	93.5	Very high	91.9	Very high	119 Å²	119	54.4 Å²	54.4	52%	0.517	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	136.1	177.9	154	178.1	171.4	-179.7	0	109.3	L865 A866	L865-K1201 CarbonylContact C-O 3.43Å; L865-K1201 WeakPolarHBondContact CA-O 3.23Å; A866-K1201 HydrophobicContact CB-CB 4.5Å; A866-K1201 PolarHBondContact N-O 3.02Å; A866-K1201 PolarHBondContact O-N 3.05Å
1202	E	93.2	Very high	91.8	Very high	72 Å²	72	56.7 Å²	56.7	34%	0.336	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	142.6	168.9	-168.6	165.9	-169.4	0	0	111.5	L1215	E1202-L1215 HydrophobicContact CG-CB 4.33Å; E1202-L1215 HydrophobicContact CG-CD1 4.5Å; E1202-L1215 VanDerWaalsContact OE1-CB 3.24Å; E1202-L1215 WeakPolarHBondContact OE1-CB 3.3Å; E1202-L1215 WeakPolarHBondContact OE1-CG 3.42Å; E1202-L1215 PolarHBondContact OE1-N 2.95Å
1203	L	92.2	Very high	91.7	Very high	69 Å²	69	54.7 Å²	54.7	36%	0.361	27%	0.274	S	S	.	.			trans	-111.2	144.3	176.6	-69.2	178.1	0	0	0	110.8	L864 A866	L864-L1203 PolarHBondContact O-N 3.04Å; A866-L1203 HydrophobicContact CB-CD1 4.07Å; A866-L1203 HydrophobicContact CB-CD2 3.86Å; A866-L1203 HydrophobicContact CB-CG 3.92Å
1204	D	88.1	Confident	91.5	Very high	148 Å²	148	57 Å²	57	79%	0.791	29%	0.293	S	S	*	.			trans	-62.1	136.5	173.9	-59.9	-57.7	0	0	0	111.5
1205	G	86.1	Confident	91.3	Very high	7 Å²	7	56.8 Å²	56.8	7%	0.072	29%	0.292	C	S	.	.			trans	-66.7	148.5	174.2	0	0	0	0	0	113.6	Q1211	G1205-Q1211 WeakPolarHBondContact O-CG 3.37Å; G1205-Q1211 PolarHBondContact O-NE2 3.17Å
1206	F	87.5	Confident	91.4	Very high	161 Å²	161	59.2 Å²	59.2	71%	0.706	31%	0.308	S	S	*	.	S	Bend	trans	-80	-26.1	175.6	-56.8	-82.5	0	0	0	113.1	A858	A858-F1206 HydrophobicContact CB-CD2 4.17Å; A858-F1206 HydrophobicContact CB-CE2 4.25Å
1207	T	90.4	Very high	91.3	Very high	34 Å²	34	57.7 Å²	57.7	21%	0.209	30%	0.304	C	S	.	.	S	Bend	trans	-112	156.9	176.9	77.5	0	0	0	0	111.4	K1209 Q1210 Q1211	T1207-K1209 PolarHBondContact O-N 3.3Å; T1207-K1209 VanDerWaalsContact O-N 3.12Å; T1207-Q1210 VanDerWaalsContact N-OE1 3.1Å; T1207-Q1210 PolarHBondContact O-N 2.73Å; T1207-Q1210 VanDerWaalsContact O-N 3.07Å; T1207-Q1210 VanDerWaalsContact OG1-CG 3.3Å; T1207-Q1210 WeakPolarHBondContact OG1-CG 3.48Å; T1207-Q1210 PolarHBondContact OG1-N 3.23Å; T1207-Q1211 WeakPolarHBondContact O-CG 3.47Å; T1207-Q1211 PolarHBondContact O-N 3.29Å
1208	A	90.8	Very high	91.2	Very high	54 Å²	54	56.9 Å²	56.9	45%	0.446	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-26	177.1	0	0	0	0	0	113.7	K1212	A1208-K1212 WeakPolarHBondContact O-CD 3.48Å; A1208-K1212 WeakPolarHBondContact O-CG 3.48Å
1209	K	92.8	Very high	91.3	Very high	20 Å²	20	54 Å²	54	9%	0.087	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-43.7	175.2	-59.5	174.2	-165.7	167.7	0	111.4	V525 A786 D790 D794 T1207 Q1211 K1212	V525-K1209 HydrophobicContact CG2-CB 4.1Å; A786-K1209 HydrophobicContact CB-CD 4.43Å; A786-K1209 HydrophobicContact CB-CG 4.24Å; D790-K1209 HydrophobicContact CB-CG 3.99Å; D794-K1209 IonicContact OD1-NZ 3.87Å; D794-K1209 PolarHBondContact OD1-NZ 3.17Å; D794-K1209 IonicContact OD2-NZ 3.04Å; D794-K1209 PolarHBondContact OD2-NZ 2.7Å; T1207-K1209 PolarHBondContact O-N 3.3Å; T1207-K1209 VanDerWaalsContact O-N 3.12Å; K1209-Q1211 VanDerWaalsContact C-N 3.33Å; K1209-Q1211 PolarHBondContact O-N 3.48Å; K1209-K1212 PolarHBondContact O-N 3.07Å
1210	Q	92.9	Very high	91.1	Very high	10 Å²	10	57.7 Å²	57.7	5%	0.047	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-64.9	-36.2	177.7	-67.9	165.6	1.4	0	0	111.8	L526 T1207 K1212 L1213	L526-Q1210 HydrophobicContact CD2-CG 4.27Å; L526-Q1210 PolarHBondContact O-NE2 2.88Å; T1207-Q1210 VanDerWaalsContact N-OE1 3.1Å; T1207-Q1210 PolarHBondContact O-N 2.73Å; T1207-Q1210 VanDerWaalsContact O-N 3.07Å; T1207-Q1210 VanDerWaalsContact OG1-CG 3.3Å; T1207-Q1210 WeakPolarHBondContact OG1-CG 3.48Å; T1207-Q1210 PolarHBondContact OG1-N 3.23Å; Q1210-K1212 PolarHBondContact O-N 3.04Å; Q1210-L1213 WeakPolarHBondContact O-CB 3.21Å; Q1210-L1213 WeakPolarHBondContact O-CG 3.25Å; Q1210-L1213 PolarHBondContact O-N 3.44Å
1211	Q	91.3	Very high	90.6	Very high	126 Å²	126	59.8 Å²	59.8	59%	0.589	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-67.2	-11.5	177.3	-70.8	174.5	-2.3	0	0	114.6	G1205 T1207 K1209	G1205-Q1211 WeakPolarHBondContact O-CG 3.37Å; G1205-Q1211 PolarHBondContact O-NE2 3.17Å; T1207-Q1211 WeakPolarHBondContact O-CG 3.47Å; T1207-Q1211 PolarHBondContact O-N 3.29Å; K1209-Q1211 VanDerWaalsContact C-N 3.33Å; K1209-Q1211 PolarHBondContact O-N 3.48Å
1212	K	92.2	Very high	90.2	Very high	63 Å²	63	54.5 Å²	54.5	27%	0.274	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-103.7	7.8	178.8	-65.1	170	-176.2	175.5	0	112.7	G785 S787 D790 A1208 K1209 Q1210	G785-K1212 WeakPolarHBondContact CA-O 3.5Å; G785-K1212 PolarHBondContact N-O 3.46Å; G785-K1212 WeakPolarHBondContact O-CB 3.4Å; G785-K1212 WeakPolarHBondContact O-CD 3.29Å; S787-K1212 PolarHBondContact OG-NZ 3.18Å; D790-K1212 IonicContact OD1-NZ 3.49Å; D790-K1212 PolarHBondContact OD1-NZ 2.88Å; D790-K1212 IonicContact OD2-NZ 3Å; D790-K1212 PolarHBondContact OD2-NZ 3.38Å; A1208-K1212 WeakPolarHBondContact O-CD 3.48Å; A1208-K1212 WeakPolarHBondContact O-CG 3.48Å; K1209-K1212 PolarHBondContact O-N 3.07Å; Q1210-K1212 PolarHBondContact O-N 3.04Å
1213	L	92.4	Very high	89.8	Confident	15 Å²	15	59.3 Å²	59.3	8%	0.079	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-74	141.4	171.6	-68.3	171.9	0	0	0	109.9	V525 L526 I783 L864 Q1210 L1215	V525-L1213 HydrophobicContact CG1-CD2 4.01Å; V525-L1213 HydrophobicContact CG2-CD2 3.92Å; V525-L1213 HydrophobicContact CG2-CG 4.39Å; L526-L1213 HydrophobicContact CD2-CD1 3.7Å; I783-L1213 HydrophobicContact CB-CD2 4.45Å; I783-L1213 HydrophobicContact CD1-CD2 3.96Å; I783-L1213 HydrophobicContact CG1-CD2 4.1Å; I783-L1213 CarbonylContact O-C 3.58Å; I783-L1213 WeakPolarHBondContact O-CA 3.48Å; L864-L1213 HydrophobicContact CD1-CD1 3.68Å; Q1210-L1213 WeakPolarHBondContact O-CB 3.21Å; Q1210-L1213 WeakPolarHBondContact O-CG 3.25Å; Q1210-L1213 PolarHBondContact O-N 3.44Å; L1213-L1215 HydrophobicContact CB-CD2 4.14Å; L1213-L1215 HydrophobicContact CB-CG 4.15Å
1214	A	89.8	Confident	89.5	Confident	48 Å²	48	58.6 Å²	58.6	40%	0.397	31%	0.313	S	S	.	.			trans	-108.8	86.3	175	0	0	0	0	0	108.8	I783	I783-A1214 PolarHBondContact O-N 3.44Å
1215	L	91.3	Very high	89.3	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.005	29%	0.294	C	S	.	.			trans	-91.8	-7	-176.3	-52	178.8	0	0	0	113.4	I783 L861 L864 E1202 L1213 K1217 L1218	I783-L1215 HydrophobicContact CB-CD2 4.48Å; I783-L1215 HydrophobicContact CG2-CD2 4.43Å; L861-L1215 HydrophobicContact CD2-CD2 4.11Å; L864-L1215 HydrophobicContact CB-CD1 3.61Å; L864-L1215 HydrophobicContact CD1-CD1 3.95Å; L864-L1215 HydrophobicContact CG-CD1 4.43Å; E1202-L1215 HydrophobicContact CG-CB 4.33Å; E1202-L1215 HydrophobicContact CG-CD1 4.5Å; E1202-L1215 VanDerWaalsContact OE1-CB 3.24Å; E1202-L1215 WeakPolarHBondContact OE1-CB 3.3Å; E1202-L1215 WeakPolarHBondContact OE1-CG 3.42Å; E1202-L1215 PolarHBondContact OE1-N 2.95Å; L1213-L1215 HydrophobicContact CB-CD2 4.14Å; L1213-L1215 HydrophobicContact CB-CG 4.15Å; L1215-K1217 PolarHBondContact O-N 3.37Å; L1215-L1218 HydrophobicContact CB-CD1 4.28Å; L1215-L1218 HydrophobicContact CD2-CD1 4.22Å; L1215-L1218 VanDerWaalsContact O-CB 3.29Å; L1215-L1218 WeakPolarHBondContact O-CB 3.42Å; L1215-L1218 PolarHBondContact O-N 3.08Å
1216	S	90	Very high	89.3	Confident	61 Å²	61	61.6 Å²	61.6	43%	0.427	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-47.6	-38.4	179.7	59.4	0	0	0	0	114.1	L1218 L1219 E1220	S1216-L1218 PolarHBondContact O-N 2.97Å; S1216-L1219 WeakPolarHBondContact O-CA 3.3Å; S1216-L1219 WeakPolarHBondContact O-CB 3.2Å; S1216-L1219 PolarHBondContact O-N 2.94Å; S1216-E1220 PolarHBondContact O-N 3.01Å
1217	K	89.2	Confident	89.2	Confident	66 Å²	66	58.3 Å²	58.3	29%	0.287	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-63.6	-20.4	179.1	-54.4	-166.5	172.6	-173.9	0	114.5	D31 L33 Q1085 L1215 L1219	D31-K1217 WeakPolarHBondContact O-CG 3.19Å; L33-K1217 HydrophobicContact CD2-CB 3.8Å; L33-K1217 HydrophobicContact CD2-CD 4.31Å; L33-K1217 HydrophobicContact CG-CB 3.82Å; Q1085-K1217 PolarHBondContact NE2-O 2.83Å; L1215-K1217 PolarHBondContact O-N 3.37Å; K1217-L1219 VanDerWaalsContact C-N 3.26Å
1218	L	91.7	Very high	89.1	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.01	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-72.7	-20.4	170.4	-71.3	165.8	0	0	0	112.4	L33 E1077 L1078 V1081 L1116 L1215 S1216	L33-L1218 HydrophobicContact CD1-CD2 3.72Å; L33-L1218 HydrophobicContact CD1-CG 4.23Å; E1077-L1218 HydrophobicContact CB-CD2 4.17Å; E1077-L1218 WeakPolarHBondContact O-CD2 3.37Å; L1078-L1218 HydrophobicContact CD2-CD2 4.02Å; L1078-L1218 HydrophobicContact CD2-CG 4.49Å; V1081-L1218 HydrophobicContact CB-CD2 4.25Å; V1081-L1218 HydrophobicContact CG2-CD2 3.91Å; L1116-L1218 WeakPolarHBondContact CD2-O 3.29Å; L1215-L1218 HydrophobicContact CB-CD1 4.28Å; L1215-L1218 HydrophobicContact CD2-CD1 4.22Å; L1215-L1218 VanDerWaalsContact O-CB 3.29Å; L1215-L1218 WeakPolarHBondContact O-CB 3.42Å; L1215-L1218 PolarHBondContact O-N 3.08Å; S1216-L1218 PolarHBondContact O-N 2.97Å
1219	L	92.8	Very high	89	Confident	33 Å²	33	58.3 Å²	58.3	17%	0.173	34%	0.336	C	S	.	.	S	Bend	trans	-100.8	-2.8	-177.1	-54.3	-176.6	0	0	0	112.8	L865 T1197 L1200 S1216 K1217	L865-L1219 HydrophobicContact CD2-CD2 4.27Å; T1197-L1219 WeakPolarHBondContact CB-O 3.3Å; T1197-L1219 PolarHBondContact OG1-O 2.88Å; L1200-L1219 HydrophobicContact CB-CD2 3.72Å; L1200-L1219 HydrophobicContact CD1-CD2 4.18Å; S1216-L1219 WeakPolarHBondContact O-CA 3.3Å; S1216-L1219 WeakPolarHBondContact O-CB 3.2Å; S1216-L1219 PolarHBondContact O-N 2.94Å; K1217-L1219 VanDerWaalsContact C-N 3.26Å
1220	E	90.2	Very high	89	Confident	93 Å²	93	59.4 Å²	59.4	44%	0.435	34%	0.343	S	S	.	.			trans	-75.7	126	173.5	-73	-58.6	150.4	0	0	111.6	Q1085 S1216	Q1085-E1220 PolarHBondContact NE2-O 2.89Å; S1216-E1220 PolarHBondContact O-N 3.01Å
1221	T	84.9	Confident	89.1	Confident	54 Å²	54	61.7 Å²	61.7	33%	0.331	35%	0.352	S	S	.	.			trans	-106.7	127.4	-179.1	-76.2	0	0	0	0	111.1	G1195 T1197	G1195-T1221 PolarHBondContact O-OG1 2.86Å; G1195-T1221 VanDerWaalsContact O-OG1 3.11Å; T1197-T1221 WeakPolarHBondContact CG2-OG1 3.4Å; T1197-T1221 PolarHBondContact OG1-OG1 2.79Å
1222	A	84.8	Confident	89.3	Confident	7 Å²	7	56.9 Å²	56.9	6%	0.058	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-76.3	135.3	172.9	0	0	0	0	0	111.2	M32 Q1085 V1088	M32-A1222 HydrophobicContact CE-CB 4.1Å; M32-A1222 HydrophobicContact SD-CB 4.24Å; Q1085-A1222 HydrophobicContact CB-CB 4.4Å; Q1085-A1222 HydrophobicContact CG-CB 4.39Å; V1088-A1222 HydrophobicContact CB-CB 4.1Å; V1088-A1222 HydrophobicContact CG1-CB 3.94Å; V1088-A1222 WeakPolarHBondContact CG1-O 3.37Å
1223	E	85.2	Confident	89.4	Confident	173 Å²	173	57.7 Å²	57.7	81%	0.808	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-75.8	136.5	174.3	-67	-164.7	153.7	0	0	111.8	V1088	V1088-E1223 WeakPolarHBondContact CG1-O 3.29Å
1224	P	85.4	Confident	89.4	Confident	54 Å²	54	61.9 Å²	61.9	35%	0.351	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-76	147.8	175.9	32.3	-33.2	0	0	0	111.5	V1088 L1230	V1088-P1224 HydrophobicContact CG1-CB 4.14Å; P1224-L1230 HydrophobicContact CB-CD2 4.13Å; P1224-L1230 HydrophobicContact CG-CD2 4.07Å; P1224-L1230 HydrophobicContact CG-CG 4.23Å
1225	H	84	Confident	89.4	Confident	84 Å²	84	65.9 Å²	65.9	39%	0.389	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-60.6	149.4	172.8	-69.3	-140	0	0	0	110.6	A1089 G1227 K1228	A1089-H1225 PolarHBondContact O-NE2 3.45Å; H1225-G1227 PolarHBondContact O-N 2.77Å; H1225-K1228 HydrophobicContact CB-CD 4.06Å; H1225-K1228 HydrophobicContact CB-CG 4.39Å; H1225-K1228 WeakPolarHBondContact O-CB 3.34Å; H1225-K1228 PolarHBondContact O-N 3.3Å
1226	P	84.8	Confident	89.4	Confident	134 Å²	134	66.3 Å²	66.3	87%	0.87	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	125.4	-178.9	-29.6	35.7	0	0	0	113.3	K1228	P1226-K1228 VanDerWaalsContact C-N 3.34Å; P1226-K1228 PolarHBondContact O-N 3.33Å
1227	G	85.9	Confident	89.4	Confident	93 Å²	93	67.5 Å²	67.5	96%	0.959	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-4.4	179.8	0	0	0	0	0	116.2	H1225	H1225-G1227 PolarHBondContact O-N 2.77Å
1228	K	87.9	Confident	89.5	Confident	60 Å²	60	65.6 Å²	65.6	26%	0.261	38%	0.379	S	S	.	.			trans	-98.4	148.5	178.3	-59.1	-171.2	-177.5	171.1	0	112.1	G1091 H1225 P1226	G1091-K1228 VanDerWaalsContact O-CD 3.32Å; G1091-K1228 WeakPolarHBondContact O-CD 3.36Å; G1091-K1228 PolarHBondContact O-NZ 3.3Å; H1225-K1228 HydrophobicContact CB-CD 4.06Å; H1225-K1228 HydrophobicContact CB-CG 4.39Å; H1225-K1228 WeakPolarHBondContact O-CB 3.34Å; H1225-K1228 PolarHBondContact O-N 3.3Å; P1226-K1228 VanDerWaalsContact C-N 3.34Å; P1226-K1228 PolarHBondContact O-N 3.33Å
1229	A	90.5	Very high	89.2	Confident	28 Å²	28	71.2 Å²	71.2	23%	0.231	40%	0.403	C	S	.	.			trans	-89.6	157.1	178.5	0	0	0	0	0	113.5	H1094 Y1231 T1233	H1094-A1229 HydrophobicContact CB-CB 4.34Å; A1229-Y1231 VanDerWaalsContact C-N 3.26Å; A1229-Y1231 WeakPolarHBondContact CB-O 3.35Å; A1229-T1233 HydrophobicContact CB-CG2 3.9Å
1230	L	92.4	Very high	89	Confident	43 Å²	43	71.6 Å²	71.6	23%	0.225	41%	0.405	C	S	.	.	S	Bend	trans	-77.5	-7.4	172.4	-71.4	174.4	0	0	0	114	Q1084 V1088 R1093 P1224	Q1084-L1230 PolarHBondContact NE2-O 3.21Å; Q1084-L1230 VanDerWaalsContact NE2-O 3.14Å; V1088-L1230 HydrophobicContact CG1-CD2 3.86Å; V1088-L1230 HydrophobicContact CG2-CD2 3.83Å; R1093-L1230 WeakPolarHBondContact CG-O 3.3Å; R1093-L1230 PolarHBondContact NE-O 3.23Å; P1224-L1230 HydrophobicContact CB-CD2 4.13Å; P1224-L1230 HydrophobicContact CG-CD2 4.07Å; P1224-L1230 HydrophobicContact CG-CG 4.23Å
1231	Y	94	Very high	89	Confident	58 Å²	58	72.9 Å²	72.9	23%	0.227	42%	0.415	C	S	.	.	S	Bend	trans	-141.1	168.1	-177.7	63.3	-95	0	0	0	111.5	H1094 V1191 I1194 A1229 T1233	H1094-Y1231 WeakPolarHBondContact CA-O 3.48Å; V1191-Y1231 HydrophobicContact CB-CD1 4.1Å; V1191-Y1231 HydrophobicContact CB-CD2 4.13Å; V1191-Y1231 HydrophobicContact CB-CE1 4.04Å; V1191-Y1231 HydrophobicContact CB-CE2 4.08Å; V1191-Y1231 HydrophobicContact CB-CG 4.15Å; V1191-Y1231 HydrophobicContact CG1-CD2 4.07Å; V1191-Y1231 HydrophobicContact CG1-CE2 4.24Å; V1191-Y1231 HydrophobicContact CG1-CG 4.37Å; V1191-Y1231 HydrophobicContact CG2-CE1 4.32Å; V1191-Y1231 HydrophobicContact CG2-CE2 4.27Å; I1194-Y1231 HydrophobicContact CD1-CG 4.31Å; A1229-Y1231 VanDerWaalsContact C-N 3.26Å; A1229-Y1231 WeakPolarHBondContact CB-O 3.35Å; Y1231-T1233 HydrophobicContact CD2-CG2 3.98Å; Y1231-T1233 HydrophobicContact CE2-CG2 3.57Å; Y1231-T1233 PolarHBondContact O-N 3.36Å
1232	C	95.4	Very high	89.4	Confident	25 Å²	25	70.7 Å²	70.7	17%	0.169	40%	0.404	C	S	.	.			trans	-64	123.1	-176.2	-167.9	0	0	0	0	112.4	H1094 I1096 R1097 E1119	H1094-C1232 WeakPolarHBondContact O-CA 3.29Å; I1096-C1232 WeakPolarHBondContact O-CB 3.37Å; R1097-C1232 HydrophobicContact CB-CB 4.13Å; E1119-C1232 WeakPolarHBondContact OE1-CB 3.47Å; E1119-C1232 PolarHBondContact OE1-N 2.76Å; E1119-C1232 WeakPolarHBondContact OE2-CB 3Å
1233	T	94.5	Very high	90	Very high	80 Å²	80	76.5 Å²	76.5	49%	0.491	43%	0.433	S	S	.	.			trans	-134.3	-15.8	-179.3	42	0	0	0	0	112.8	H1094 A1229 Y1231	H1094-T1233 PolarHBondContact O-N 2.99Å; A1229-T1233 HydrophobicContact CB-CG2 3.9Å; Y1231-T1233 HydrophobicContact CD2-CG2 3.98Å; Y1231-T1233 HydrophobicContact CE2-CG2 3.57Å; Y1231-T1233 PolarHBondContact O-N 3.36Å
1234	E	92.4	Very high	90.5	Very high	102 Å²	102	68.9 Å²	68.9	48%	0.477	40%	0.398	S	S	.	.	S	Bend	trans	-130.7	153.5	179.6	-67.1	178.4	-164	0	0	111.2	H1094 K1095	H1094-E1234 IonicContact CD2-OE1 3.78Å; H1094-E1234 IonicContact CD2-OE2 2.8Å; H1094-E1234 IonicContact NE2-OE2 3.1Å; H1094-E1234 PolarHBondContact O-N 3.17Å; H1094-E1234 VanDerWaalsContact O-N 3.08Å; K1095-E1234 WeakPolarHBondContact CA-O 3.49Å; K1095-E1234 HydrophobicContact CG-CB 4.43Å
1235	N	89.5	Confident	91.1	Very high	133 Å²	133	66.4 Å²	66.4	71%	0.711	38%	0.381	S	S	*	.			trans	-79.2	161.3	170.8	-67	-17.1	0	0	0	111	P1237	N1235-P1237 VanDerWaalsContact C-CD 3.48Å; N1235-P1237 WeakPolarHBondContact O-CD 3.19Å
1236	N	92	Very high	91.7	Very high	10 Å²	10	65 Å²	65	5%	0.053	38%	0.384	C	S	.	.			trans	-114.2	75.6	-178.6	-157.9	12.5	0	0	0	112.3	K1019 A1045 Y1048 A1049 D1050 K1095	K1019-N1236 PolarHBondContact NZ-O 3.27Å; A1045-N1236 PolarHBondContact O-ND2 2.94Å; Y1048-N1236 WeakPolarHBondContact CA-ND2 3.43Å; A1049-N1236 WeakPolarHBondContact O-CB 3.07Å; A1049-N1236 PolarHBondContact O-ND2 3.35Å; D1050-N1236 PolarHBondContact OD1-N 3.12Å; K1095-N1236 HydrophobicContact CB-CB 4.22Å
1237	P	90.8	Very high	92.3	Very high	86 Å²	86	62.9 Å²	62.9	56%	0.558	36%	0.363	S	S	*	.			trans	-70	145	179.4	30.1	-35.2	0	0	0	111.6	Y1048 N1235	Y1048-P1237 VanDerWaalsContact CD1-O 3.24Å; Y1048-P1237 WeakPolarHBondContact CD1-O 3.45Å; N1235-P1237 VanDerWaalsContact C-CD 3.48Å; N1235-P1237 WeakPolarHBondContact O-CD 3.19Å
1238	P	89.7	Confident	92.8	Very high	25 Å²	25	58.5 Å²	58.5	16%	0.162	32%	0.317	C	S	.	.			trans	-63.6	151.7	170.9	28.5	-34.3	0	0	0	111.7	F1016 Y1048 D1240	F1016-P1238 HydrophobicContact CD2-CB 4.06Å; F1016-P1238 HydrophobicContact CD2-CG 4.14Å; F1016-P1238 HydrophobicContact CE2-CG 4.4Å; Y1048-P1238 HydrophobicContact CD2-CB 3.98Å; Y1048-P1238 HydrophobicContact CE2-CB 4.42Å; Y1048-P1238 HydrophobicContact CG-CB 4.09Å; P1238-D1240 VanDerWaalsContact C-N 3.34Å; P1238-D1240 WeakPolarHBondContact CG-O 3.39Å
1239	F	86.2	Confident	93.2	Very high	120 Å²	120	57.6 Å²	57.6	53%	0.526	32%	0.315	S	S	.	.	S	Bend	trans	-68	-35.4	174.9	177.2	-95.3	0	0	0	112.5	Q71 I76 Y1048	Q71-F1239 VanDerWaalsContact NE2-CE1 3.35Å; I76-F1239 HydrophobicContact CD1-CB 4.24Å; I76-F1239 HydrophobicContact CD1-CD1 3.74Å; I76-F1239 HydrophobicContact CD1-CD2 3.48Å; I76-F1239 VanDerWaalsContact CD1-CD2 3.48Å; I76-F1239 HydrophobicContact CD1-CE1 3.89Å; I76-F1239 HydrophobicContact CD1-CE2 3.63Å; I76-F1239 HydrophobicContact CD1-CG 3.53Å; I76-F1239 HydrophobicContact CD1-CZ 3.84Å; Y1048-F1239 VanDerWaalsContact OH-CB 3.32Å; Y1048-F1239 WeakPolarHBondContact OH-CB 3.36Å
1240	D	88.7	Confident	93.6	Very high	41 Å²	41	63.7 Å²	63.7	22%	0.219	34%	0.339	C	S	.	.			trans	-79.2	130.2	170.2	-177.5	-1.6	0	0	0	109.9	F1016 P1238 G1242 R1273	F1016-D1240 HydrophobicContact CE2-CB 3.96Å; F1016-D1240 WeakPolarHBondContact CE2-O 3.26Å; F1016-D1240 HydrophobicContact CZ-CB 4.37Å; P1238-D1240 VanDerWaalsContact C-N 3.34Å; P1238-D1240 WeakPolarHBondContact CG-O 3.39Å; D1240-G1242 PolarHBondContact OD1-N 2.88Å; D1240-R1273 VanDerWaalsContact CB-NH2 3.28Å; D1240-R1273 IonicContact OD2-CZ 3Å; D1240-R1273 IonicContact OD2-NE 3.25Å; D1240-R1273 PolarHBondContact OD2-NE 3.22Å; D1240-R1273 IonicContact OD2-NH2 2.7Å; D1240-R1273 PolarHBondContact OD2-NH2 3.4Å
1241	N	90.1	Very high	93.8	Very high	121 Å²	121	65.1 Å²	65.1	65%	0.647	35%	0.345	S	S	*	.			trans	-94.3	-3.1	-178.1	-65.6	-75.3	0	0	0	113.4	L1243	N1241-L1243 HydrophobicContact CB-CD2 4.16Å
1242	G	93.6	Very high	93.9	Very high	8 Å²	8	62.4 Å²	62.4	8%	0.082	33%	0.334	C	S	.	.			trans	63.4	44	-179.8	0	0	0	0	0	113.2	D1240 L1244 N1245 A1246	D1240-G1242 PolarHBondContact OD1-N 2.88Å; G1242-L1244 VanDerWaalsContact C-N 3.29Å; G1242-L1244 PolarHBondContact O-N 3.16Å; G1242-N1245 WeakPolarHBondContact O-CB 3.4Å; G1242-N1245 PolarHBondContact O-N 3.42Å; G1242-A1246 PolarHBondContact O-N 3.34Å
1243	L	96.1	Very high	94	Very high	129 Å²	129	65.1 Å²	65.1	68%	0.675	34%	0.343	S	S	*	.	H	α-helix	trans	-54	-41	-169.7	-64.5	176	0	0	0	113.5	N1241 A1246 Q1247	N1241-L1243 HydrophobicContact CB-CD2 4.16Å; L1243-A1246 PolarHBondContact O-N 3.13Å; L1243-Q1247 WeakPolarHBondContact O-CB 3.49Å; L1243-Q1247 PolarHBondContact O-N 3.28Å
1244	L	97.1	Very high	94.1	Very high	12 Å²	12	64.2 Å²	64.2	6%	0.063	34%	0.338	C	S	.	.	H	α-helix	trans	-67.6	-36.9	177.9	-175.7	58.2	0	0	0	112.6	G1242 Q1247 L1248 F1266 I1268 D1272 V1275 F1301	G1242-L1244 VanDerWaalsContact C-N 3.29Å; G1242-L1244 PolarHBondContact O-N 3.16Å; L1244-Q1247 PolarHBondContact O-N 2.99Å; L1244-L1248 WeakPolarHBondContact O-CB 3.18Å; L1244-L1248 PolarHBondContact O-N 3.27Å; L1244-F1266 HydrophobicContact CD1-CB 4.07Å; L1244-F1266 HydrophobicContact CD1-CD1 3.65Å; L1244-F1266 HydrophobicContact CD1-CE1 4.31Å; L1244-F1266 HydrophobicContact CD1-CG 3.93Å; L1244-I1268 HydrophobicContact CD2-CB 4.39Å; L1244-I1268 HydrophobicContact CD2-CD1 4.24Å; L1244-I1268 HydrophobicContact CD2-CG1 3.95Å; L1244-D1272 HydrophobicContact CD2-CB 3.93Å; L1244-V1275 HydrophobicContact CD2-CG1 4.3Å; L1244-V1275 HydrophobicContact CD2-CG2 4.07Å; L1244-F1301 HydrophobicContact CD2-CD1 4.49Å; L1244-F1301 HydrophobicContact CD2-CE1 4.24Å
1245	N	97.1	Very high	94.3	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.011	33%	0.326	C	S	.	.	H	α-helix	trans	-64.1	-44.9	173.2	-90.2	-45.7	0	0	0	111.7	Q1020 G1242 Q1247 L1248 L1249 R1273 S1274 V1275 G1276	Q1020-N1245 VanDerWaalsContact OE1-CB 3.26Å; Q1020-N1245 PolarHBondContact OE1-ND2 3.16Å; Q1020-N1245 VanDerWaalsContact OE1-ND2 3.09Å; G1242-N1245 WeakPolarHBondContact O-CB 3.4Å; G1242-N1245 PolarHBondContact O-N 3.42Å; N1245-Q1247 VanDerWaalsContact C-N 3.35Å; N1245-Q1247 PolarHBondContact O-N 3.39Å; N1245-L1248 PolarHBondContact O-N 2.79Å; N1245-L1249 WeakPolarHBondContact O-CB 3.35Å; N1245-L1249 PolarHBondContact O-N 2.93Å; N1245-R1273 PolarHBondContact ND2-O 2.84Å; N1245-S1274 PolarHBondContact ND2-O 2.83Å; N1245-S1274 PolarHBondContact OD1-O 2.8Å; N1245-V1275 WeakPolarHBondContact OD1-CA 3.48Å; N1245-G1276 PolarHBondContact OD1-N 3.39Å
1246	A	96.2	Very high	94.5	Very high	55 Å²	55	55.4 Å²	55.4	46%	0.455	29%	0.292	S	S	.	.	H	α-helix	trans	-61.4	-43.5	176.6	0	0	0	0	0	111.6	G1242 L1243 Q1250	G1242-A1246 PolarHBondContact O-N 3.34Å; L1243-A1246 PolarHBondContact O-N 3.13Å; A1246-Q1250 VanDerWaalsContact O-CB 3.27Å; A1246-Q1250 WeakPolarHBondContact O-CB 3.14Å; A1246-Q1250 PolarHBondContact O-N 2.76Å
1247	Q	97.4	Very high	94.7	Very high	89 Å²	89	58 Å²	58	42%	0.416	31%	0.306	S	S	.	.	H	α-helix	trans	-64.3	-44.6	177.2	-174.6	-177.9	3.8	0	0	112.4	L1243 L1244 N1245 Q1250 Q1251 F1266	L1243-Q1247 WeakPolarHBondContact O-CB 3.49Å; L1243-Q1247 PolarHBondContact O-N 3.28Å; L1244-Q1247 PolarHBondContact O-N 2.99Å; N1245-Q1247 VanDerWaalsContact C-N 3.35Å; N1245-Q1247 PolarHBondContact O-N 3.39Å; Q1247-Q1250 PolarHBondContact O-N 3.48Å; Q1247-Q1251 WeakPolarHBondContact O-CG 3.34Å; Q1247-Q1251 PolarHBondContact O-N 3.11Å; Q1247-Q1251 VanDerWaalsContact O-N 3.17Å; Q1247-F1266 HydrophobicContact CG-CE1 4.05Å
1248	L	97.3	Very high	94.8	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-61.6	-49.9	176.8	174.7	63.3	0	0	0	111.2	L1244 N1245 Q1250 Q1251 A1252 F1266 L1279 A1299 F1301	L1244-L1248 WeakPolarHBondContact O-CB 3.18Å; L1244-L1248 PolarHBondContact O-N 3.27Å; N1245-L1248 PolarHBondContact O-N 2.79Å; L1248-Q1250 PolarHBondContact O-N 2.8Å; L1248-Q1251 PolarHBondContact O-N 3.01Å; L1248-A1252 VanDerWaalsContact O-CB 3.27Å; L1248-A1252 WeakPolarHBondContact O-CB 3.37Å; L1248-A1252 PolarHBondContact O-N 2.96Å; L1248-F1266 HydrophobicContact CB-CZ 4.47Å; L1248-F1266 HydrophobicContact CD1-CE2 3.71Å; L1248-F1266 HydrophobicContact CD1-CZ 4.14Å; L1248-L1279 HydrophobicContact CD1-CD2 4.39Å; L1248-L1279 HydrophobicContact CD2-CB 4.48Å; L1248-L1279 HydrophobicContact CD2-CD2 4.21Å; L1248-L1279 HydrophobicContact CG-CD2 4.17Å; L1248-A1299 HydrophobicContact CD1-CB 4.12Å; L1248-F1301 HydrophobicContact CD2-CZ 4.47Å
1249	L	96.9	Very high	94.9	Very high	41 Å²	41	64.7 Å²	64.7	22%	0.215	32%	0.322	C	S	.	.	H	α-helix	trans	-61.2	-44.8	178.2	173.8	59.9	0	0	0	111.5	N1245 Q1251 A1252 K1253 L1279 Y1282	N1245-L1249 WeakPolarHBondContact O-CB 3.35Å; N1245-L1249 PolarHBondContact O-N 2.93Å; L1249-Q1251 VanDerWaalsContact C-N 3.3Å; L1249-Q1251 PolarHBondContact O-N 3.19Å; L1249-A1252 PolarHBondContact O-N 2.14Å; L1249-K1253 WeakPolarHBondContact O-CB 3.16Å; L1249-K1253 PolarHBondContact O-N 3.08Å; L1249-L1279 HydrophobicContact CD1-CD1 4.48Å; L1249-Y1282 HydrophobicContact CD1-CD1 4.03Å; L1249-Y1282 HydrophobicContact CD1-CG 3.75Å
1250	Q	97.3	Very high	95.2	Very high	156 Å²	156	63 Å²	63	73%	0.729	32%	0.316	S	S	*	.	H	α-helix	trans	-59.5	-40.4	-180	-173.7	-177.9	18.5	0	0	112.3	A1246 Q1247 L1248	A1246-Q1250 VanDerWaalsContact O-CB 3.27Å; A1246-Q1250 WeakPolarHBondContact O-CB 3.14Å; A1246-Q1250 PolarHBondContact O-N 2.76Å; Q1247-Q1250 PolarHBondContact O-N 3.48Å; L1248-Q1250 PolarHBondContact O-N 2.8Å
1251	Q	97.5	Very high	95.5	Very high	74 Å²	74	63.9 Å²	63.9	35%	0.346	33%	0.325	S	S	.	.	H	α-helix	trans	-76.5	-37.2	178.7	-69.5	-176.8	49.7	0	0	113	Q1247 L1248 L1249 F1255 F1264	Q1247-Q1251 WeakPolarHBondContact O-CG 3.34Å; Q1247-Q1251 PolarHBondContact O-N 3.11Å; Q1247-Q1251 VanDerWaalsContact O-N 3.17Å; L1248-Q1251 PolarHBondContact O-N 3.01Å; L1249-Q1251 VanDerWaalsContact C-N 3.3Å; L1249-Q1251 PolarHBondContact O-N 3.19Å; Q1251-F1255 WeakPolarHBondContact O-CD2 3.38Å; Q1251-F1255 WeakPolarHBondContact O-CE2 3.5Å; Q1251-F1264 HydrophobicContact CB-CD1 4.22Å; Q1251-F1264 HydrophobicContact CB-CE1 3.72Å; Q1251-F1264 HydrophobicContact CB-CZ 4.07Å; Q1251-F1264 WeakPolarHBondContact O-CZ 3.45Å
1252	A	96.7	Very high	95.8	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-78.2	-29	-177.7	0	0	0	0	0	113.5	L1248 L1249 F1255 V1256 F1264 L1279 I1297	L1248-A1252 VanDerWaalsContact O-CB 3.27Å; L1248-A1252 WeakPolarHBondContact O-CB 3.37Å; L1248-A1252 PolarHBondContact O-N 2.96Å; L1249-A1252 PolarHBondContact O-N 2.14Å; A1252-F1255 WeakPolarHBondContact O-CB 3.39Å; A1252-F1255 PolarHBondContact O-N 2.77Å; A1252-V1256 PolarHBondContact O-N 2.58Å; A1252-F1264 HydrophobicContact CB-CE2 3.95Å; A1252-F1264 HydrophobicContact CB-CZ 4.4Å; A1252-L1279 HydrophobicContact CB-CD1 3.65Å; A1252-L1279 HydrophobicContact CB-CD2 4.28Å; A1252-I1297 HydrophobicContact CB-CG2 4.1Å
1253	K	96	Very high	96	Very high	82 Å²	82	63.8 Å²	63.8	36%	0.357	32%	0.321	S	S	.	.	H	α-helix	trans	-47.7	-48.6	-171.9	173.8	170.8	171.4	42.1	0	115.2	L1249 F1255 V1256 D1257 Y1282	L1249-K1253 WeakPolarHBondContact O-CB 3.16Å; L1249-K1253 PolarHBondContact O-N 3.08Å; K1253-F1255 VanDerWaalsContact C-N 3.29Å; K1253-F1255 PolarHBondContact O-N 3.4Å; K1253-V1256 PolarHBondContact O-N 3.03Å; K1253-D1257 WeakPolarHBondContact CG-OD2 3.33Å; K1253-D1257 IonicContact NZ-OD1 3.33Å; K1253-D1257 IonicContact NZ-OD2 2.74Å; K1253-D1257 PolarHBondContact NZ-OD2 3.33Å; K1253-D1257 WeakPolarHBondContact O-CB 3.49Å; K1253-D1257 VanDerWaalsContact O-CG 3.23Å; K1253-D1257 PolarHBondContact O-N 3.31Å; K1253-Y1282 HydrophobicContact CG-CE1 4.05Å; K1253-Y1282 VanDerWaalsContact NZ-CZ 3.29Å; K1253-Y1282 PolarHBondContact NZ-OH 3.35Å
1254	P	96.7	Very high	96.1	Very high	61 Å²	61	58.3 Å²	58.3	40%	0.396	29%	0.292	S	S	.	.	H	α-helix	trans	-61.1	-37.5	179.2	-22.4	34.3	0	0	0	113	D1257 E1258	P1254-D1257 PolarHBondContact O-N 3.22Å; P1254-E1258 WeakPolarHBondContact O-CB 3.27Å; P1254-E1258 WeakPolarHBondContact O-CG 3.44Å; P1254-E1258 PolarHBondContact O-N 3.21Å
1255	F	96.7	Very high	96.1	Very high	50 Å²	50	66.5 Å²	66.5	22%	0.219	32%	0.322	C	S	.	.	H	α-helix	trans	-75	-33.4	-179.5	-55.2	-79.2	0	0	0	112.1	Q1251 A1252 K1253 R1259 Q1260 K1262 F1264 I1297	Q1251-F1255 WeakPolarHBondContact O-CD2 3.38Å; Q1251-F1255 WeakPolarHBondContact O-CE2 3.5Å; A1252-F1255 WeakPolarHBondContact O-CB 3.39Å; A1252-F1255 PolarHBondContact O-N 2.77Å; K1253-F1255 VanDerWaalsContact C-N 3.29Å; K1253-F1255 PolarHBondContact O-N 3.4Å; F1255-R1259 WeakPolarHBondContact O-CA 3.44Å; F1255-R1259 PolarHBondContact O-N 3.49Å; F1255-Q1260 HydrophobicContact CD1-CB 4.4Å; F1255-Q1260 PolarHBondContact O-N 3.22Å; F1255-K1262 HydrophobicContact CB-CB 4.09Å; F1255-K1262 HydrophobicContact CD1-CB 4.01Å; F1255-K1262 HydrophobicContact CD1-CD 4.17Å; F1255-K1262 HydrophobicContact CD1-CG 4.1Å; F1255-K1262 HydrophobicContact CD2-CB 4.1Å; F1255-K1262 HydrophobicContact CD2-CG 3.85Å; F1255-K1262 HydrophobicContact CE1-CD 3.83Å; F1255-K1262 HydrophobicContact CE1-CG 4.13Å; F1255-K1262 HydrophobicContact CE2-CD 4.25Å; F1255-K1262 HydrophobicContact CE2-CG 3.89Å; F1255-K1262 HydrophobicContact CG-CB 3.78Å; F1255-K1262 HydrophobicContact CG-CG 3.96Å; F1255-K1262 HydrophobicContact CZ-CD 3.88Å; F1255-K1262 HydrophobicContact CZ-CG 4.04Å; F1255-F1264 AromaticContact CD2-CZ 3.93Å; F1255-F1264 HydrophobicContact CD2-CZ 3.93Å; F1255-F1264 HydrophobicContact CE2-CZ 4.01Å; F1255-I1297 HydrophobicContact CB-CD1 3.8Å
1256	V	94.8	Very high	96.2	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-63.6	-48.6	169.3	174.9	0	0	0	0	110.1	A1252 K1253 E1258 R1259 L1279 Y1282 I1283 L1292 I1297	A1252-V1256 PolarHBondContact O-N 2.58Å; K1253-V1256 PolarHBondContact O-N 3.03Å; V1256-E1258 VanDerWaalsContact C-N 3.29Å; V1256-E1258 PolarHBondContact O-N 3.48Å; V1256-R1259 PolarHBondContact O-N 3.35Å; V1256-R1259 VanDerWaalsContact O-N 3.15Å; V1256-L1279 HydrophobicContact CG2-CD1 3.83Å; V1256-Y1282 HydrophobicContact CB-CD1 4.31Å; V1256-Y1282 HydrophobicContact CB-CE1 4.26Å; V1256-Y1282 HydrophobicContact CG1-CD1 3.87Å; V1256-Y1282 HydrophobicContact CG1-CE1 3.88Å; V1256-I1283 HydrophobicContact CB-CG1 4.48Å; V1256-I1283 HydrophobicContact CG1-CG1 3.69Å; V1256-I1283 HydrophobicContact CG2-CD1 4.25Å; V1256-I1283 HydrophobicContact CG2-CG1 3.89Å; V1256-L1292 HydrophobicContact CG1-CD2 4.41Å; V1256-L1292 HydrophobicContact CG2-CD2 4.06Å; V1256-I1297 HydrophobicContact CG2-CD1 4.37Å; V1256-I1297 HydrophobicContact CG2-CG1 3.99Å
1257	D	95.1	Very high	96.2	Very high	66 Å²	66	70.9 Å²	70.9	35%	0.353	34%	0.337	S	S	.	.	H	α-helix	trans	-61.2	-36.3	-178.9	-68.5	-23.1	0	0	0	111.9	K1253 P1254 Y1282	K1253-D1257 WeakPolarHBondContact CG-OD2 3.33Å; K1253-D1257 IonicContact NZ-OD1 3.33Å; K1253-D1257 IonicContact NZ-OD2 2.74Å; K1253-D1257 PolarHBondContact NZ-OD2 3.33Å; K1253-D1257 WeakPolarHBondContact O-CB 3.49Å; K1253-D1257 VanDerWaalsContact O-CG 3.23Å; K1253-D1257 PolarHBondContact O-N 3.31Å; P1254-D1257 PolarHBondContact O-N 3.22Å; D1257-Y1282 VanDerWaalsContact OD1-CE1 3.23Å; D1257-Y1282 WeakPolarHBondContact OD1-CE1 3.35Å; D1257-Y1282 VanDerWaalsContact OD1-CZ 3.27Å; D1257-Y1282 PolarHBondContact OD1-OH 3.2Å; D1257-Y1282 PolarHBondContact OD2-OH 2.94Å
1258	E	93.9	Very high	96.2	Very high	125 Å²	125	66.9 Å²	66.9	58%	0.584	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-1.6	177.8	-68	179.4	-161.5	0	0	115	P1254 V1256 Q1260	P1254-E1258 WeakPolarHBondContact O-CB 3.27Å; P1254-E1258 WeakPolarHBondContact O-CG 3.44Å; P1254-E1258 PolarHBondContact O-N 3.21Å; V1256-E1258 VanDerWaalsContact C-N 3.29Å; V1256-E1258 PolarHBondContact O-N 3.48Å; E1258-Q1260 HydrophobicContact CB-CG 4.23Å; E1258-Q1260 PolarHBondContact OE2-NE2 3.16Å
1259	R	92.4	Very high	96.1	Very high	125 Å²	125	73.8 Å²	73.8	47%	0.472	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	50.6	-171.8	-62	-175.3	175.7	-178.8	-2.3	114.2	F1255 V1256 H1287 L1292	F1255-R1259 WeakPolarHBondContact O-CA 3.44Å; F1255-R1259 PolarHBondContact O-N 3.49Å; V1256-R1259 PolarHBondContact O-N 3.35Å; V1256-R1259 VanDerWaalsContact O-N 3.15Å; R1259-H1287 PolarHBondContact NH2-CE1 3.35Å; R1259-H1287 PolarHBondContact NH2-ND1 2.68Å; R1259-L1292 HydrophobicContact CB-CD1 4.11Å; R1259-L1292 HydrophobicContact CG-CD1 4.12Å
1260	Q	92.1	Very high	96	Very high	86 Å²	86	71.9 Å²	71.9	40%	0.402	33%	0.334	S	S	.	.			trans	-113.8	135.2	176.9	-70.6	173.5	29.3	0	0	111.3	F1255 E1258	F1255-Q1260 HydrophobicContact CD1-CB 4.4Å; F1255-Q1260 PolarHBondContact O-N 3.22Å; E1258-Q1260 HydrophobicContact CB-CG 4.23Å; E1258-Q1260 PolarHBondContact OE2-NE2 3.16Å
1261	S	94.1	Very high	95.8	Very high	58 Å²	58	67 Å²	67	41%	0.406	32%	0.315	S	S	.	.			trans	-66.1	137.8	169.9	-175.7	0	0	0	0	111.2	P1296	S1261-P1296 WeakPolarHBondContact CA-O 3.22Å; S1261-P1296 WeakPolarHBondContact CB-O 3.17Å; S1261-P1296 PolarHBondContact OG-O 2.95Å
1262	K	96.3	Very high	95.8	Very high	84 Å²	84	65.4 Å²	65.4	37%	0.365	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	150.2	178.4	-171.7	61.8	177.4	-176	0	111.1	F1255 F1264 I1297 K1298	F1255-K1262 HydrophobicContact CB-CB 4.09Å; F1255-K1262 HydrophobicContact CD1-CB 4.01Å; F1255-K1262 HydrophobicContact CD1-CD 4.17Å; F1255-K1262 HydrophobicContact CD1-CG 4.1Å; F1255-K1262 HydrophobicContact CD2-CB 4.1Å; F1255-K1262 HydrophobicContact CD2-CG 3.85Å; F1255-K1262 HydrophobicContact CE1-CD 3.83Å; F1255-K1262 HydrophobicContact CE1-CG 4.13Å; F1255-K1262 HydrophobicContact CE2-CD 4.25Å; F1255-K1262 HydrophobicContact CE2-CG 3.89Å; F1255-K1262 HydrophobicContact CG-CB 3.78Å; F1255-K1262 HydrophobicContact CG-CG 3.96Å; F1255-K1262 HydrophobicContact CZ-CD 3.88Å; F1255-K1262 HydrophobicContact CZ-CG 4.04Å; K1262-F1264 HydrophobicContact CB-CE2 4.04Å; K1262-F1264 HydrophobicContact CB-CZ 4.18Å; K1262-F1264 HydrophobicContact CG-CD2 4.41Å; K1262-F1264 HydrophobicContact CG-CE1 3.94Å; K1262-F1264 HydrophobicContact CG-CE2 3.68Å; K1262-F1264 HydrophobicContact CG-CZ 3.41Å; K1262-F1264 VanDerWaalsContact CG-CZ 3.41Å; K1262-I1297 HydrophobicContact CB-CD1 4.04Å; K1262-K1298 PolarHBondContact O-N 2.6Å
1263	T	98	Very high	95.8	Very high	44 Å²	44	66.3 Å²	66.3	27%	0.27	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	139.2	174.8	-53.1	0	0	0	0	111.8	W1265 K1298 Y1300	T1263-W1265 HydrophobicContact CG2-CH2 3.6Å; T1263-W1265 HydrophobicContact CG2-CZ2 3.57Å; T1263-W1265 HydrophobicContact CG2-CZ3 4.1Å; T1263-K1298 CarbonylContact C-O 3.01Å; T1263-K1298 VanDerWaalsContact CA-O 3.25Å; T1263-K1298 WeakPolarHBondContact CA-O 3.39Å; T1263-K1298 HydrophobicContact CG2-CB 4.33Å; T1263-Y1300 HydrophobicContact CG2-CD2 3.65Å; T1263-Y1300 HydrophobicContact CG2-CE2 3.61Å
1264	F	97.7	Very high	95.9	Very high	14 Å²	14	62.4 Å²	62.4	6%	0.061	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	161.1	177.8	-57.5	-76.3	0	0	0	111.8	Q1251 A1252 F1255 K1262 F1266 I1297 K1298 Y1300	Q1251-F1264 HydrophobicContact CB-CD1 4.22Å; Q1251-F1264 HydrophobicContact CB-CE1 3.72Å; Q1251-F1264 HydrophobicContact CB-CZ 4.07Å; Q1251-F1264 WeakPolarHBondContact O-CZ 3.45Å; A1252-F1264 HydrophobicContact CB-CE2 3.95Å; A1252-F1264 HydrophobicContact CB-CZ 4.4Å; F1255-F1264 AromaticContact CD2-CZ 3.93Å; F1255-F1264 HydrophobicContact CD2-CZ 3.93Å; F1255-F1264 HydrophobicContact CE2-CZ 4.01Å; K1262-F1264 HydrophobicContact CB-CE2 4.04Å; K1262-F1264 HydrophobicContact CB-CZ 4.18Å; K1262-F1264 HydrophobicContact CG-CD2 4.41Å; K1262-F1264 HydrophobicContact CG-CE1 3.94Å; K1262-F1264 HydrophobicContact CG-CE2 3.68Å; K1262-F1264 HydrophobicContact CG-CZ 3.41Å; K1262-F1264 VanDerWaalsContact CG-CZ 3.41Å; F1264-F1266 HydrophobicContact CB-CD2 4.38Å; F1264-F1266 HydrophobicContact CB-CE2 3.53Å; F1264-F1266 HydrophobicContact CB-CZ 4.09Å; F1264-F1266 HydrophobicContact CG-CE2 4.41Å; F1264-I1297 HydrophobicContact CD2-CG2 3.95Å; F1264-I1297 HydrophobicContact CE2-CG2 3.81Å; F1264-K1298 PolarHBondContact N-O 2.9Å; F1264-Y1300 PolarHBondContact O-N 3.24Å
1265	W	98.2	Very high	96	Very high	184 Å²	184	59.6 Å²	59.6	70%	0.697	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136	137	179.8	-64	-96.2	0	0	0	110.9	T1263 Y1300	T1263-W1265 HydrophobicContact CG2-CH2 3.6Å; T1263-W1265 HydrophobicContact CG2-CZ2 3.57Å; T1263-W1265 HydrophobicContact CG2-CZ3 4.1Å; W1265-Y1300 CarbonylContact C-O 3.48Å; W1265-Y1300 VanDerWaalsContact CA-O 3.32Å; W1265-Y1300 WeakPolarHBondContact CA-O 3.25Å
1266	F	98.1	Very high	96	Very high	22 Å²	22	57.2 Å²	57.2	10%	0.096	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	155.8	-178.5	-59.1	-84.1	0	0	0	111.7	L1244 Q1247 L1248 F1264 Y1300 F1301 N1302	L1244-F1266 HydrophobicContact CD1-CB 4.07Å; L1244-F1266 HydrophobicContact CD1-CD1 3.65Å; L1244-F1266 HydrophobicContact CD1-CE1 4.31Å; L1244-F1266 HydrophobicContact CD1-CG 3.93Å; Q1247-F1266 HydrophobicContact CG-CE1 4.05Å; L1248-F1266 HydrophobicContact CB-CZ 4.47Å; L1248-F1266 HydrophobicContact CD1-CE2 3.71Å; L1248-F1266 HydrophobicContact CD1-CZ 4.14Å; F1264-F1266 HydrophobicContact CB-CD2 4.38Å; F1264-F1266 HydrophobicContact CB-CE2 3.53Å; F1264-F1266 HydrophobicContact CB-CZ 4.09Å; F1264-F1266 HydrophobicContact CG-CE2 4.41Å; F1266-Y1300 PolarHBondContact N-O 3.28Å; F1266-F1301 HydrophobicContact CB-CD1 3.82Å; F1266-F1301 HydrophobicContact CB-CE1 3.96Å; F1266-F1301 HydrophobicContact CD2-CD1 4.44Å; F1266-F1301 AromaticContact CD2-CE1 3.88Å; F1266-F1301 HydrophobicContact CD2-CE1 3.88Å; F1266-F1301 HydrophobicContact CD2-CZ 4.29Å; F1266-F1301 HydrophobicContact CG-CE1 4.2Å; F1266-F1301 VanDerWaalsContact O-CA 3.29Å; F1266-F1301 WeakPolarHBondContact O-CA 3.37Å; F1266-N1302 PolarHBondContact O-N 3.44Å; F1266-N1302 VanDerWaalsContact O-N 3.1Å
1267	D	96.6	Very high	96.1	Very high	127 Å²	127	57.2 Å²	57.2	68%	0.679	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	152.9	160	-64.4	-42.2	0	0	0	109.4	N1302	D1267-N1302 WeakPolarHBondContact CA-O 3.37Å
1268	I	97.1	Very high	96.2	Very high	5 Å²	5	55 Å²	55	3%	0.026	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	145.7	-178.7	-163.2	169.8	0	0	0	112.4	L1244 D1272 V1275 F1301 N1302 T1304 A1305 F1309 L1321	L1244-I1268 HydrophobicContact CD2-CB 4.39Å; L1244-I1268 HydrophobicContact CD2-CD1 4.24Å; L1244-I1268 HydrophobicContact CD2-CG1 3.95Å; I1268-D1272 HydrophobicContact CD1-CB 4.44Å; I1268-D1272 HydrophobicContact CG1-CB 3.77Å; I1268-V1275 HydrophobicContact CD1-CB 4.3Å; I1268-V1275 HydrophobicContact CD1-CG1 4.42Å; I1268-V1275 HydrophobicContact CD1-CG2 3.91Å; I1268-F1301 HydrophobicContact CB-CB 4.34Å; I1268-F1301 HydrophobicContact CB-CD1 4.23Å; I1268-F1301 HydrophobicContact CD1-CD1 4.1Å; I1268-F1301 HydrophobicContact CD1-CG 4.49Å; I1268-F1301 HydrophobicContact CG2-CB 3.95Å; I1268-N1302 PolarHBondContact N-O 3.45Å; I1268-T1304 CarbonylContact C-O 3.52Å; I1268-T1304 PolarHBondContact O-N 3.4Å; I1268-A1305 HydrophobicContact CD1-CB 3.75Å; I1268-A1305 HydrophobicContact CG1-CB 4.48Å; I1268-F1309 HydrophobicContact CD1-CD2 3.9Å; I1268-F1309 HydrophobicContact CD1-CE2 3.78Å; I1268-L1321 HydrophobicContact CG2-CD1 3.68Å
1269	R	95.2	Very high	96.4	Very high	146 Å²	146	49.1 Å²	49.1	55%	0.551	23%	0.229	S	C	*	.			trans	-129	165.2	178.6	-60	178.4	-178.1	167.8	1.6	111.5	T1271 D1272 T1304 G1306	R1269-T1271 PolarHBondContact O-N 3.22Å; R1269-D1272 PolarHBondContact N-OD2 2.92Å; R1269-D1272 WeakPolarHBondContact O-CB 3.29Å; R1269-D1272 PolarHBondContact O-N 3.08Å; R1269-T1304 CarbonylContact C-O 3.53Å; R1269-T1304 WeakPolarHBondContact CA-O 3.32Å; R1269-T1304 PolarHBondContact N-O 2.97Å; R1269-T1304 VanDerWaalsContact O-O 3.11Å; R1269-G1306 PolarHBondContact O-N 3.37Å
1270	N	94.7	Very high	96.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.4	179.8	80.6	-64.1	0	0	0	113	R69 E405 V406 G407 D1272 T1304 G1306	R69-N1270 WeakPolarHBondContact CD-OD1 3.24Å; R69-N1270 PolarHBondContact O-ND2 2.77Å; E405-N1270 PolarHBondContact OE2-ND2 2.81Å; V406-N1270 VanDerWaalsContact O-CB 3.32Å; V406-N1270 WeakPolarHBondContact O-CB 3.45Å; G407-N1270 PolarHBondContact O-OD1 2.9Å; N1270-D1272 VanDerWaalsContact C-N 3.34Å; N1270-T1304 HydrophobicContact CB-CG2 4.3Å; N1270-T1304 PolarHBondContact N-O 2.9Å; N1270-G1306 WeakPolarHBondContact O-CA 3.25Å
1271	T	94.3	Very high	96.9	Very high	54 Å²	54	39.2 Å²	39.2	33%	0.331	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-19.8	173.4	52.9	0	0	0	0	113.8	R1269 R1273	R1269-T1271 PolarHBondContact O-N 3.22Å; T1271-R1273 PolarHBondContact O-N 2.94Å
1272	D	97	Very high	97.1	Very high	41 Å²	41	38.7 Å²	38.7	22%	0.219	18%	0.178	C	C	.	.			trans	-85.1	98.6	177.5	-60.6	-62.4	0	0	0	109.6	L1244 I1268 R1269 N1270 V1275 G1306	L1244-D1272 HydrophobicContact CD2-CB 3.93Å; I1268-D1272 HydrophobicContact CD1-CB 4.44Å; I1268-D1272 HydrophobicContact CG1-CB 3.77Å; R1269-D1272 PolarHBondContact N-OD2 2.92Å; R1269-D1272 WeakPolarHBondContact O-CB 3.29Å; R1269-D1272 PolarHBondContact O-N 3.08Å; N1270-D1272 VanDerWaalsContact C-N 3.34Å; D1272-V1275 HydrophobicContact CB-CG2 4.1Å; D1272-G1306 WeakPolarHBondContact O-CA 3.44Å; D1272-G1306 PolarHBondContact O-N 2.94Å; D1272-G1306 VanDerWaalsContact O-N 3.13Å
1273	R	97.2	Very high	97.1	Very high	18 Å²	18	34.7 Å²	34.7	7%	0.068	16%	0.16	C	C	.	.			trans	-107.9	155.9	-169.3	-59.7	170	-53.8	137.1	-3.1	111.6	H72 F1016 D1240 N1245 T1271 V1275 Q1307	H72-R1273 VanDerWaalsContact CD2-CD 3.49Å; H72-R1273 WeakPolarHBondContact CD2-CD 3.45Å; F1016-R1273 HydrophobicContact CD1-CB 4.3Å; F1016-R1273 HydrophobicContact CE1-CB 3.93Å; D1240-R1273 VanDerWaalsContact CB-NH2 3.28Å; D1240-R1273 IonicContact OD2-CZ 3Å; D1240-R1273 IonicContact OD2-NE 3.25Å; D1240-R1273 PolarHBondContact OD2-NE 3.22Å; D1240-R1273 IonicContact OD2-NH2 2.7Å; D1240-R1273 PolarHBondContact OD2-NH2 3.4Å; N1245-R1273 PolarHBondContact ND2-O 2.84Å; T1271-R1273 PolarHBondContact O-N 2.94Å; R1273-V1275 PolarHBondContact O-N 3.27Å; R1273-V1275 VanDerWaalsContact O-N 3.14Å; R1273-Q1307 WeakPolarHBondContact CA-O 3.47Å
1274	S	97.9	Very high	97	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.007	15%	0.15	C	C	.	.	S	Bend	trans	57.8	26.7	176.9	-38.7	0	0	0	0	114	Q1013 F1016 D1017 N1245 G1276 A1277 Q1307 S1308	Q1013-S1274 PolarHBondContact NE2-OG 2.85Å; Q1013-S1274 VanDerWaalsContact NE2-OG 3.12Å; F1016-S1274 WeakPolarHBondContact CD1-OG 3.37Å; F1016-S1274 WeakPolarHBondContact CE1-OG 3.21Å; D1017-S1274 WeakPolarHBondContact OD1-CB 3.49Å; D1017-S1274 PolarHBondContact OD1-OG 3.03Å; N1245-S1274 PolarHBondContact ND2-O 2.83Å; N1245-S1274 PolarHBondContact OD1-O 2.8Å; S1274-G1276 PolarHBondContact O-N 2.83Å; S1274-A1277 WeakPolarHBondContact O-CB 3.45Å; S1274-A1277 PolarHBondContact O-N 3.34Å; S1274-A1277 VanDerWaalsContact O-N 3.13Å; S1274-Q1307 PolarHBondContact N-O 2.85Å; S1274-S1308 VanDerWaalsContact CA-O 3.3Å; S1274-S1308 WeakPolarHBondContact CA-O 3.27Å
1275	V	98.4	Very high	96.9	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.012	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	123.9	-171.1	-179.9	0	0	0	0	110.4	L1244 N1245 I1268 D1272 R1273 F1301 F1309 G1310	L1244-V1275 HydrophobicContact CD2-CG1 4.3Å; L1244-V1275 HydrophobicContact CD2-CG2 4.07Å; N1245-V1275 WeakPolarHBondContact OD1-CA 3.48Å; I1268-V1275 HydrophobicContact CD1-CB 4.3Å; I1268-V1275 HydrophobicContact CD1-CG1 4.42Å; I1268-V1275 HydrophobicContact CD1-CG2 3.91Å; D1272-V1275 HydrophobicContact CB-CG2 4.1Å; R1273-V1275 PolarHBondContact O-N 3.27Å; R1273-V1275 VanDerWaalsContact O-N 3.14Å; V1275-F1301 HydrophobicContact CG1-CE1 3.75Å; V1275-F1301 HydrophobicContact CG1-CZ 3.74Å; V1275-F1309 HydrophobicContact CB-CD2 4.01Å; V1275-F1309 HydrophobicContact CB-CE2 4.23Å; V1275-F1309 HydrophobicContact CG1-CE2 4.27Å; V1275-G1310 WeakPolarHBondContact O-CA 3.38Å; V1275-G1310 PolarHBondContact O-N 3.25Å
1276	G	96.3	Very high	96.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	106.6	-16.2	-175.4	0	0	0	0	0	114.5	N1245 S1274 L1279 S1280	N1245-G1276 PolarHBondContact OD1-N 3.39Å; S1274-G1276 PolarHBondContact O-N 2.83Å; G1276-L1279 PolarHBondContact O-N 2.87Å; G1276-S1280 WeakPolarHBondContact O-CB 3.49Å; G1276-S1280 PolarHBondContact O-N 3.31Å; G1276-S1280 PolarHBondContact O-OG 2.86Å
1277	A	97.6	Very high	96.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.8	-48	-176	0	0	0	0	0	113	Q1020 V1021 S1274 L1279 S1280 G1281 V1311	Q1020-A1277 HydrophobicContact CB-CB 3.81Å; V1021-A1277 HydrophobicContact CB-CB 4.39Å; S1274-A1277 WeakPolarHBondContact O-CB 3.45Å; S1274-A1277 PolarHBondContact O-N 3.34Å; S1274-A1277 VanDerWaalsContact O-N 3.13Å; A1277-L1279 PolarHBondContact O-N 3.18Å; A1277-S1280 PolarHBondContact O-N 3.32Å; A1277-G1281 PolarHBondContact O-N 3.22Å; A1277-V1311 HydrophobicContact CB-CG1 3.82Å
1278	S	97.6	Very high	96.3	Very high	18 Å²	18	27.1 Å²	27.1	13%	0.126	14%	0.137	C	C	.	.	H	α-helix	trans	-68.4	-33.6	-178.1	-51.2	0	0	0	0	113.2	Q1020 Y1282	Q1020-S1278 WeakPolarHBondContact O-CA 3.41Å; Q1020-S1278 WeakPolarHBondContact O-CB 3.44Å; Q1020-S1278 PolarHBondContact O-N 3.19Å; Q1020-S1278 PolarHBondContact O-OG 3.28Å; Q1020-S1278 PolarHBondContact OE1-OG 2.75Å; S1278-Y1282 WeakPolarHBondContact O-CB 3.5Å; S1278-Y1282 PolarHBondContact O-N 3.04Å; S1278-Y1282 VanDerWaalsContact O-N 3.08Å
1279	L	97.4	Very high	96.1	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-65.9	-47	172.3	177.1	56.9	0	0	0	110.8	L1248 L1249 A1252 V1256 G1276 A1277 G1281 Y1282 I1283 I1297 V1317	L1248-L1279 HydrophobicContact CD1-CD2 4.39Å; L1248-L1279 HydrophobicContact CD2-CB 4.48Å; L1248-L1279 HydrophobicContact CD2-CD2 4.21Å; L1248-L1279 HydrophobicContact CG-CD2 4.17Å; L1249-L1279 HydrophobicContact CD1-CD1 4.48Å; A1252-L1279 HydrophobicContact CB-CD1 3.65Å; A1252-L1279 HydrophobicContact CB-CD2 4.28Å; V1256-L1279 HydrophobicContact CG2-CD1 3.83Å; G1276-L1279 PolarHBondContact O-N 2.87Å; A1277-L1279 PolarHBondContact O-N 3.18Å; L1279-G1281 PolarHBondContact O-N 2.69Å; L1279-Y1282 PolarHBondContact O-N 3.12Å; L1279-I1283 HydrophobicContact CD1-CD1 3.94Å; L1279-I1283 HydrophobicContact CD1-CG1 4.31Å; L1279-I1283 HydrophobicContact CG-CD1 3.92Å; L1279-I1283 WeakPolarHBondContact O-CG1 3.42Å; L1279-I1283 PolarHBondContact O-N 2.87Å; L1279-I1297 HydrophobicContact CD2-CB 4.31Å; L1279-I1297 HydrophobicContact CD2-CG2 3.95Å; L1279-V1317 HydrophobicContact CD2-CG1 4.18Å; L1279-V1317 HydrophobicContact CD2-CG2 4.18Å; L1279-V1317 HydrophobicContact CG-CG2 4.14Å
1280	S	97.9	Very high	95.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.5	-39.3	-179.6	-58.5	0	0	0	0	112.5	G1276 A1277 I1283 A1284 W1312 N1313 A1314	G1276-S1280 WeakPolarHBondContact O-CB 3.49Å; G1276-S1280 PolarHBondContact O-N 3.31Å; G1276-S1280 PolarHBondContact O-OG 2.86Å; A1277-S1280 PolarHBondContact O-N 3.32Å; S1280-I1283 PolarHBondContact O-N 3.3Å; S1280-A1284 VanDerWaalsContact O-CB 3.29Å; S1280-A1284 WeakPolarHBondContact O-CB 3.14Å; S1280-A1284 PolarHBondContact O-N 3.01Å; S1280-W1312 WeakPolarHBondContact CB-O 3.29Å; S1280-W1312 PolarHBondContact OG-O 3.43Å; S1280-N1313 WeakPolarHBondContact OG-CA 3.48Å; S1280-A1314 PolarHBondContact OG-N 2.66Å
1281	G	97.2	Very high	95.5	Very high	3 Å²	3	27.6 Å²	27.6	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	-62	-42.6	172	0	0	0	0	0	112.4	A1277 L1279 A1284 Q1285	A1277-G1281 PolarHBondContact O-N 3.22Å; L1279-G1281 PolarHBondContact O-N 2.69Å; G1281-A1284 PolarHBondContact O-N 2.7Å; G1281-Q1285 WeakPolarHBondContact O-CB 3.32Å; G1281-Q1285 PolarHBondContact O-N 3.08Å
1282	Y	97.2	Very high	95.4	Very high	47 Å²	47	25.1 Å²	25.1	18%	0.184	14%	0.14	C	C	.	.	H	α-helix	trans	-65.2	-40.6	176.1	-171.8	-102.5	0	0	0	112.6	L1249 K1253 V1256 D1257 S1278 L1279 T1286	L1249-Y1282 HydrophobicContact CD1-CD1 4.03Å; L1249-Y1282 HydrophobicContact CD1-CG 3.75Å; K1253-Y1282 HydrophobicContact CG-CE1 4.05Å; K1253-Y1282 VanDerWaalsContact NZ-CZ 3.29Å; K1253-Y1282 PolarHBondContact NZ-OH 3.35Å; V1256-Y1282 HydrophobicContact CB-CD1 4.31Å; V1256-Y1282 HydrophobicContact CB-CE1 4.26Å; V1256-Y1282 HydrophobicContact CG1-CD1 3.87Å; V1256-Y1282 HydrophobicContact CG1-CE1 3.88Å; D1257-Y1282 VanDerWaalsContact OD1-CE1 3.23Å; D1257-Y1282 WeakPolarHBondContact OD1-CE1 3.35Å; D1257-Y1282 VanDerWaalsContact OD1-CZ 3.27Å; D1257-Y1282 PolarHBondContact OD1-OH 3.2Å; D1257-Y1282 PolarHBondContact OD2-OH 2.94Å; S1278-Y1282 WeakPolarHBondContact O-CB 3.5Å; S1278-Y1282 PolarHBondContact O-N 3.04Å; S1278-Y1282 VanDerWaalsContact O-N 3.08Å; L1279-Y1282 PolarHBondContact O-N 3.12Å; Y1282-T1286 WeakPolarHBondContact O-CB 3.45Å; Y1282-T1286 PolarHBondContact O-N 3.15Å; Y1282-T1286 VanDerWaalsContact O-N 3.16Å; Y1282-T1286 PolarHBondContact O-OG1 2.76Å
1283	I	96.7	Very high	95.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.8	-47.7	173.9	-69.4	163	0	0	0	110.3	V1256 L1279 S1280 Q1285 T1286 H1287 G1288 L1292 A1314 V1317	V1256-I1283 HydrophobicContact CB-CG1 4.48Å; V1256-I1283 HydrophobicContact CG1-CG1 3.69Å; V1256-I1283 HydrophobicContact CG2-CD1 4.25Å; V1256-I1283 HydrophobicContact CG2-CG1 3.89Å; L1279-I1283 HydrophobicContact CD1-CD1 3.94Å; L1279-I1283 HydrophobicContact CD1-CG1 4.31Å; L1279-I1283 HydrophobicContact CG-CD1 3.92Å; L1279-I1283 WeakPolarHBondContact O-CG1 3.42Å; L1279-I1283 PolarHBondContact O-N 2.87Å; S1280-I1283 PolarHBondContact O-N 3.3Å; I1283-Q1285 PolarHBondContact O-N 3.14Å; I1283-T1286 PolarHBondContact O-N 3.21Å; I1283-T1286 VanDerWaalsContact O-N 3.1Å; I1283-H1287 PolarHBondContact O-N 3.24Å; I1283-G1288 PolarHBondContact O-N 2.72Å; I1283-L1292 HydrophobicContact CD1-CD2 3.81Å; I1283-L1292 HydrophobicContact CG1-CD2 3.98Å; I1283-L1292 HydrophobicContact CG2-CB 4.02Å; I1283-A1314 HydrophobicContact CB-CB 4.47Å; I1283-A1314 HydrophobicContact CG2-CB 4.24Å; I1283-V1317 HydrophobicContact CD1-CG2 3.38Å
1284	A	96	Very high	94.6	Very high	6 Å²	6	29.1 Å²	29.1	5%	0.05	18%	0.182	C	C	.	.	H	α-helix	trans	-65.3	-36	-177.6	0	0	0	0	0	113.3	P950 A951 V954 S1280 G1281 T1286 G1288	P950-A1284 HydrophobicContact CB-CB 3.59Å; A951-A1284 HydrophobicContact CB-CB 4.4Å; V954-A1284 HydrophobicContact CG2-CB 4.26Å; S1280-A1284 VanDerWaalsContact O-CB 3.29Å; S1280-A1284 WeakPolarHBondContact O-CB 3.14Å; S1280-A1284 PolarHBondContact O-N 3.01Å; G1281-A1284 PolarHBondContact O-N 2.7Å; A1284-T1286 VanDerWaalsContact C-N 3.32Å; A1284-G1288 VanDerWaalsContact O-CA 3.26Å; A1284-G1288 WeakPolarHBondContact O-CA 3.2Å; A1284-G1288 PolarHBondContact O-N 3.3Å
1285	Q	95.1	Very high	94.4	Very high	98 Å²	98	32.4 Å²	32.4	46%	0.458	20%	0.2	S	C	.	.	H	α-helix	trans	-66.5	-33.1	172.9	176.2	159.9	91.9	0	0	112.5	V954 G1281 I1283	V954-Q1285 HydrophobicContact CB-CB 4.39Å; V954-Q1285 HydrophobicContact CG2-CB 4.11Å; G1281-Q1285 WeakPolarHBondContact O-CB 3.32Å; G1281-Q1285 PolarHBondContact O-N 3.08Å; I1283-Q1285 PolarHBondContact O-N 3.14Å
1286	T	94.6	Very high	94.1	Very high	43 Å²	43	33.1 Å²	33.1	26%	0.264	20%	0.204	S	C	.	.	H	α-helix	trans	-94.6	-34.8	-172	-45.1	0	0	0	0	113.1	Y1282 I1283 A1284	Y1282-T1286 WeakPolarHBondContact O-CB 3.45Å; Y1282-T1286 PolarHBondContact O-N 3.15Å; Y1282-T1286 VanDerWaalsContact O-N 3.16Å; Y1282-T1286 PolarHBondContact O-OG1 2.76Å; I1283-T1286 PolarHBondContact O-N 3.21Å; I1283-T1286 VanDerWaalsContact O-N 3.1Å; A1284-T1286 VanDerWaalsContact C-N 3.32Å
1287	H	93.4	Very high	94.2	Very high	60 Å²	60	33.1 Å²	33.1	28%	0.278	21%	0.205	S	C	.	.	H	α-helix	trans	-137.3	0.5	-171	-57.9	-37.7	0	0	0	114.2	R1259 I1283 G1291	R1259-H1287 PolarHBondContact NH2-CE1 3.35Å; R1259-H1287 PolarHBondContact NH2-ND1 2.68Å; I1283-H1287 PolarHBondContact O-N 3.24Å; H1287-G1291 WeakPolarHBondContact O-CA 3.08Å
1288	G	93	Very high	94.2	Very high	26 Å²	26	35.7 Å²	35.7	27%	0.268	22%	0.215	S	C	.	.			trans	74.9	176.7	-173.7	0	0	0	0	0	113.7	I1283 A1284 Q1290 G1291	I1283-G1288 PolarHBondContact O-N 2.72Å; A1284-G1288 VanDerWaalsContact O-CA 3.26Å; A1284-G1288 WeakPolarHBondContact O-CA 3.2Å; A1284-G1288 PolarHBondContact O-N 3.3Å; G1288-Q1290 PolarHBondContact O-N 3.38Å; G1288-Q1290 VanDerWaalsContact O-N 3.08Å; G1288-G1291 PolarHBondContact O-N 3.47Å
1289	D	92.8	Very high	94.2	Very high	25 Å²	25	34.9 Å²	34.9	13%	0.134	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-24	-167.9	-74.3	-34.2	0	0	0	115.6	T949 P950 A951 G1315	T949-D1289 WeakPolarHBondContact CB-OD2 3.12Å; T949-D1289 PolarHBondContact OG1-OD2 2.98Å; P950-D1289 WeakPolarHBondContact CB-OD1 3.35Å; P950-D1289 VanDerWaalsContact CD-OD1 3.28Å; P950-D1289 WeakPolarHBondContact CD-OD1 3.23Å; A951-D1289 VanDerWaalsContact CB-CG 3.48Å; A951-D1289 VanDerWaalsContact CB-OD1 3.28Å; A951-D1289 WeakPolarHBondContact CB-OD1 3.37Å; A951-D1289 WeakPolarHBondContact CB-OD2 3.34Å; A951-D1289 PolarHBondContact N-OD1 3.29Å; D1289-G1315 WeakPolarHBondContact O-CA 3.36Å; D1289-G1315 PolarHBondContact O-N 2.7Å
1290	Q	91.8	Very high	94.3	Very high	103 Å²	103	38.5 Å²	38.5	48%	0.481	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.6	3.8	-176.4	-55.4	-61.2	-29.9	0	0	113.7	G1288 L1292 A1293 A1334	G1288-Q1290 PolarHBondContact O-N 3.38Å; G1288-Q1290 VanDerWaalsContact O-N 3.08Å; Q1290-L1292 PolarHBondContact O-N 2.88Å; Q1290-A1293 VanDerWaalsContact O-CB 3.3Å; Q1290-A1293 WeakPolarHBondContact O-CB 3.18Å; Q1290-A1293 PolarHBondContact O-N 2.91Å; Q1290-A1293 VanDerWaalsContact O-N 3.08Å; Q1290-A1334 PolarHBondContact NE2-O 3.31Å
1291	G	86.7	Confident	94.3	Very high	32 Å²	32	38.7 Å²	38.7	33%	0.33	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-6.4	-167.3	0	0	0	0	0	116	H1287 G1288	H1287-G1291 WeakPolarHBondContact O-CA 3.08Å; G1288-G1291 PolarHBondContact O-N 3.47Å
1292	L	92	Very high	94.3	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	10.4	175.3	-163.4	69.2	0	0	0	112.1	V1256 R1259 I1283 Q1290 A1294 D1295 I1297 G1315 G1316	V1256-L1292 HydrophobicContact CG1-CD2 4.41Å; V1256-L1292 HydrophobicContact CG2-CD2 4.06Å; R1259-L1292 HydrophobicContact CB-CD1 4.11Å; R1259-L1292 HydrophobicContact CG-CD1 4.12Å; I1283-L1292 HydrophobicContact CD1-CD2 3.81Å; I1283-L1292 HydrophobicContact CG1-CD2 3.98Å; I1283-L1292 HydrophobicContact CG2-CB 4.02Å; Q1290-L1292 PolarHBondContact O-N 2.88Å; L1292-A1294 PolarHBondContact O-N 2.71Å; L1292-A1294 VanDerWaalsContact O-N 3.14Å; L1292-D1295 HydrophobicContact CD1-CB 4.33Å; L1292-D1295 CarbonylContact O-C 3.47Å; L1292-D1295 PolarHBondContact O-N 2.77Å; L1292-D1295 VanDerWaalsContact O-N 3.11Å; L1292-I1297 HydrophobicContact CD2-CG1 4.09Å; L1292-G1315 CarbonylContact C-O 3.13Å; L1292-G1315 PolarHBondContact N-O 3.24Å; L1292-G1316 WeakPolarHBondContact O-CA 3.43Å
1293	A	89.3	Confident	94.2	Very high	54 Å²	54	41.7 Å²	41.7	45%	0.446	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-22.9	-174.1	0	0	0	0	0	114.6	Q1290 G1315	Q1290-A1293 VanDerWaalsContact O-CB 3.3Å; Q1290-A1293 WeakPolarHBondContact O-CB 3.18Å; Q1290-A1293 PolarHBondContact O-N 2.91Å; Q1290-A1293 VanDerWaalsContact O-N 3.08Å; A1293-G1315 PolarHBondContact N-O 3.47Å
1294	A	88.4	Confident	94.2	Very high	89 Å²	89	42.5 Å²	42.5	74%	0.736	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-29.1	176.3	0	0	0	0	0	113.4	L1292 P1296	L1292-A1294 PolarHBondContact O-N 2.71Å; L1292-A1294 VanDerWaalsContact O-N 3.14Å; A1294-P1296 VanDerWaalsContact O-CD 3.31Å; A1294-P1296 WeakPolarHBondContact O-CD 3.37Å
1295	D	92	Very high	94.3	Very high	71 Å²	71	42.2 Å²	42.2	38%	0.38	25%	0.252	S	S	.	.	S	Bend	trans	-125.8	60	-169.9	-63.3	-75.9	0	0	0	111.5	L1292	L1292-D1295 HydrophobicContact CD1-CB 4.33Å; L1292-D1295 CarbonylContact O-C 3.47Å; L1292-D1295 PolarHBondContact O-N 2.77Å; L1292-D1295 VanDerWaalsContact O-N 3.11Å
1296	P	93.7	Very high	94.3	Very high	16 Å²	16	37.5 Å²	37.5	10%	0.104	23%	0.231	C	C	.	.			trans	-70.5	146.5	-163.7	25.9	-35	0	0	0	114.7	S1261 A1294 G1316 E1318	S1261-P1296 WeakPolarHBondContact CA-O 3.22Å; S1261-P1296 WeakPolarHBondContact CB-O 3.17Å; S1261-P1296 PolarHBondContact OG-O 2.95Å; A1294-P1296 VanDerWaalsContact O-CD 3.31Å; A1294-P1296 WeakPolarHBondContact O-CD 3.37Å; P1296-G1316 CarbonylContact C-O 3.55Å; P1296-G1316 VanDerWaalsContact CA-O 3.24Å; P1296-G1316 WeakPolarHBondContact CA-O 3.41Å; P1296-E1318 HydrophobicContact CB-CG 3.97Å; P1296-E1318 HydrophobicContact CG-CG 4.37Å; P1296-E1318 WeakPolarHBondContact CG-OE1 3.49Å
1297	I	97.6	Very high	94.4	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	123.6	163.2	-56.3	-60	0	0	0	108.7	A1252 F1255 V1256 K1262 F1264 L1279 L1292 G1316 E1318	A1252-I1297 HydrophobicContact CB-CG2 4.1Å; F1255-I1297 HydrophobicContact CB-CD1 3.8Å; V1256-I1297 HydrophobicContact CG2-CD1 4.37Å; V1256-I1297 HydrophobicContact CG2-CG1 3.99Å; K1262-I1297 HydrophobicContact CB-CD1 4.04Å; F1264-I1297 HydrophobicContact CD2-CG2 3.95Å; F1264-I1297 HydrophobicContact CE2-CG2 3.81Å; L1279-I1297 HydrophobicContact CD2-CB 4.31Å; L1279-I1297 HydrophobicContact CD2-CG2 3.95Å; L1292-I1297 HydrophobicContact CD2-CG1 4.09Å; I1297-G1316 PolarHBondContact N-O 3.07Å; I1297-E1318 PolarHBondContact O-N 2.79Å
1298	K	98.1	Very high	94.6	Very high	53 Å²	53	32.8 Å²	32.8	23%	0.23	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	127	-179.1	-48.7	-170.6	-175.8	-118.2	0	110	K1262 T1263 F1264 E1318	K1262-K1298 PolarHBondContact O-N 2.6Å; T1263-K1298 CarbonylContact C-O 3.01Å; T1263-K1298 VanDerWaalsContact CA-O 3.25Å; T1263-K1298 WeakPolarHBondContact CA-O 3.39Å; T1263-K1298 HydrophobicContact CG2-CB 4.33Å; F1264-K1298 PolarHBondContact N-O 2.9Å; K1298-E1318 CarbonylContact C-O 3.45Å; K1298-E1318 WeakPolarHBondContact CA-O 3.26Å; K1298-E1318 HydrophobicContact CB-CB 4.41Å; K1298-E1318 WeakPolarHBondContact CD-OE2 3.49Å; K1298-E1318 WeakPolarHBondContact CE-OE1 3.34Å; K1298-E1318 WeakPolarHBondContact CE-OE2 3.41Å; K1298-E1318 HydrophobicContact CG-CB 4.15Å; K1298-E1318 HydrophobicContact CG-CG 4.35Å; K1298-E1318 IonicContact NZ-OE1 3.56Å; K1298-E1318 PolarHBondContact NZ-OE1 3.1Å; K1298-E1318 IonicContact NZ-OE2 3.97Å; K1298-E1318 PolarHBondContact NZ-OE2 3.41Å
1299	A	98.2	Very high	94.9	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.008	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	125.2	177	0	0	0	0	0	110.8	L1248 F1301 E1318 L1319 Y1320	L1248-A1299 HydrophobicContact CD1-CB 4.12Å; A1299-F1301 HydrophobicContact CB-CD2 4.44Å; A1299-F1301 HydrophobicContact CB-CE2 3.48Å; A1299-F1301 VanDerWaalsContact CB-CE2 3.48Å; A1299-F1301 HydrophobicContact CB-CZ 3.68Å; A1299-E1318 PolarHBondContact N-O 3.07Å; A1299-L1319 HydrophobicContact CB-CD2 4.18Å; A1299-Y1320 PolarHBondContact O-N 3.48Å
1300	Y	98.5	Very high	95.2	Very high	78 Å²	78	30.5 Å²	30.5	31%	0.306	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.7	176.5	-71.8	-96.6	0	0	0	110.1	T1263 F1264 W1265 F1266 Y1320	T1263-Y1300 HydrophobicContact CG2-CD2 3.65Å; T1263-Y1300 HydrophobicContact CG2-CE2 3.61Å; F1264-Y1300 PolarHBondContact O-N 3.24Å; W1265-Y1300 CarbonylContact C-O 3.48Å; W1265-Y1300 VanDerWaalsContact CA-O 3.32Å; W1265-Y1300 WeakPolarHBondContact CA-O 3.25Å; F1266-Y1300 PolarHBondContact N-O 3.28Å; Y1300-Y1320 CarbonylContact C-O 3.49Å; Y1300-Y1320 WeakPolarHBondContact CA-O 3.47Å; Y1300-Y1320 VanDerWaalsContact CD1-CB 3.47Å; Y1300-Y1320 HydrophobicContact CD1-CD2 4.38Å; Y1300-Y1320 AromaticContact CD1-CG 4Å; Y1300-Y1320 HydrophobicContact CD1-CG 4Å; Y1300-Y1320 HydrophobicContact CE1-CD1 4.06Å; Y1300-Y1320 AromaticContact CE1-CD2 3.96Å; Y1300-Y1320 HydrophobicContact CE1-CD2 3.96Å; Y1300-Y1320 AromaticContact CE1-CG 3.62Å; Y1300-Y1320 HydrophobicContact CE1-CG 3.62Å; Y1300-Y1320 HydrophobicContact CE2-CD2 4.08Å; Y1300-Y1320 AromaticContact CZ-CD2 3.79Å; Y1300-Y1320 AromaticContact CZ-CG 3.92Å
1301	F	98.5	Very high	95.5	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.018	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143.7	-178.1	-58.8	-89.1	0	0	0	110.7	L1244 L1248 F1266 I1268 V1275 A1299 F1309 L1319 Y1320 L1321 T1322	L1244-F1301 HydrophobicContact CD2-CD1 4.49Å; L1244-F1301 HydrophobicContact CD2-CE1 4.24Å; L1248-F1301 HydrophobicContact CD2-CZ 4.47Å; F1266-F1301 HydrophobicContact CB-CD1 3.82Å; F1266-F1301 HydrophobicContact CB-CE1 3.96Å; F1266-F1301 HydrophobicContact CD2-CD1 4.44Å; F1266-F1301 AromaticContact CD2-CE1 3.88Å; F1266-F1301 HydrophobicContact CD2-CE1 3.88Å; F1266-F1301 HydrophobicContact CD2-CZ 4.29Å; F1266-F1301 HydrophobicContact CG-CE1 4.2Å; F1266-F1301 VanDerWaalsContact O-CA 3.29Å; F1266-F1301 WeakPolarHBondContact O-CA 3.37Å; I1268-F1301 HydrophobicContact CB-CB 4.34Å; I1268-F1301 HydrophobicContact CB-CD1 4.23Å; I1268-F1301 HydrophobicContact CD1-CD1 4.1Å; I1268-F1301 HydrophobicContact CD1-CG 4.49Å; I1268-F1301 HydrophobicContact CG2-CB 3.95Å; V1275-F1301 HydrophobicContact CG1-CE1 3.75Å; V1275-F1301 HydrophobicContact CG1-CZ 3.74Å; A1299-F1301 HydrophobicContact CB-CD2 4.44Å; A1299-F1301 HydrophobicContact CB-CE2 3.48Å; A1299-F1301 VanDerWaalsContact CB-CE2 3.48Å; A1299-F1301 HydrophobicContact CB-CZ 3.68Å; F1301-F1309 HydrophobicContact CD2-CE2 4.02Å; F1301-F1309 AromaticContact CD2-CZ 3.78Å; F1301-F1309 HydrophobicContact CD2-CZ 3.78Å; F1301-F1309 HydrophobicContact CE2-CE2 4.19Å; F1301-F1309 HydrophobicContact CE2-CZ 4.09Å; F1301-F1309 HydrophobicContact CG-CE2 4.3Å; F1301-F1309 HydrophobicContact CG-CZ 4.38Å; F1301-L1319 HydrophobicContact CE2-CB 4.42Å; F1301-L1319 HydrophobicContact CE2-CD2 3.93Å; F1301-L1319 HydrophobicContact CZ-CD2 4.46Å; F1301-Y1320 PolarHBondContact N-O 3.39Å; F1301-L1321 HydrophobicContact CB-CD1 3.71Å; F1301-T1322 PolarHBondContact O-N 3.42Å
1302	N	96.9	Very high	96	Very high	86 Å²	86	24 Å²	24	46%	0.46	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.9	175.3	-167.8	30.4	0	0	0	110.2	F1266 D1267 I1268 T1322	F1266-N1302 PolarHBondContact O-N 3.44Å; F1266-N1302 VanDerWaalsContact O-N 3.1Å; D1267-N1302 WeakPolarHBondContact CA-O 3.37Å; I1268-N1302 PolarHBondContact N-O 3.45Å; N1302-T1322 PolarHBondContact OD1-O 3.17Å
1303	G	95.4	Very high	96.3	Very high	28 Å²	28	24 Å²	24	29%	0.289	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	120.7	-155.9	-176	0	0	0	0	0	113.4	T1322 G1323	G1303-T1322 PolarHBondContact N-O 2.91Å; G1303-T1322 VanDerWaalsContact N-O 3.08Å; G1303-G1323 WeakPolarHBondContact O-CA 3.41Å
1304	T	96.2	Very high	96.6	Very high	16 Å²	16	21.4 Å²	21.4	10%	0.098	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	125.5	-178.7	-65.4	0	0	0	0	109.8	V406 I1268 R1269 N1270 D1324	V406-T1304 HydrophobicContact CG1-CG2 3.95Å; V406-T1304 WeakPolarHBondContact O-CG2 3.09Å; I1268-T1304 CarbonylContact C-O 3.52Å; I1268-T1304 PolarHBondContact O-N 3.4Å; R1269-T1304 CarbonylContact C-O 3.53Å; R1269-T1304 WeakPolarHBondContact CA-O 3.32Å; R1269-T1304 PolarHBondContact N-O 2.97Å; R1269-T1304 VanDerWaalsContact O-O 3.11Å; N1270-T1304 HydrophobicContact CB-CG2 4.3Å; N1270-T1304 PolarHBondContact N-O 2.9Å; T1304-D1324 CarbonylContact C-O 3.57Å; T1304-D1324 VanDerWaalsContact CA-O 3.29Å; T1304-D1324 WeakPolarHBondContact CA-O 3.44Å; T1304-D1324 VanDerWaalsContact CB-OD1 3.24Å; T1304-D1324 WeakPolarHBondContact CB-OD1 3.08Å; T1304-D1324 WeakPolarHBondContact CG2-OD1 3.36Å; T1304-D1324 PolarHBondContact OG1-OD1 3.33Å
1305	A	97.4	Very high	96.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	142.5	174.3	0	0	0	0	0	112.2	I1268 F1309 L1321 D1324 A1325 N1326	I1268-A1305 HydrophobicContact CD1-CB 3.75Å; I1268-A1305 HydrophobicContact CG1-CB 4.48Å; A1305-F1309 HydrophobicContact CB-CB 3.84Å; A1305-F1309 HydrophobicContact CB-CD2 3.56Å; A1305-F1309 HydrophobicContact CB-CE2 4.26Å; A1305-F1309 HydrophobicContact CB-CG 3.75Å; A1305-L1321 HydrophobicContact CB-CD2 3.7Å; A1305-D1324 PolarHBondContact N-O 3.23Å; A1305-A1325 HydrophobicContact CB-CB 3.87Å; A1305-N1326 PolarHBondContact O-N 3Å; A1305-N1326 PolarHBondContact O-ND2 3.2Å
1306	G	96.3	Very high	96.8	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.075	C	C	.	.			trans	-68.2	-172.9	169.7	0	0	0	0	0	113.5	R1269 N1270 D1272	R1269-G1306 PolarHBondContact O-N 3.37Å; N1270-G1306 WeakPolarHBondContact O-CA 3.25Å; D1272-G1306 WeakPolarHBondContact O-CA 3.44Å; D1272-G1306 PolarHBondContact O-N 2.94Å; D1272-G1306 VanDerWaalsContact O-N 3.13Å
1307	Q	96.5	Very high	96.9	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.019	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	146	175.2	-58.9	-65.7	7.3	0	0	111.7	E405 Q1013 R1273 S1274 F1309 D1327 Y1328	E405-Q1307 PolarHBondContact OE1-NE2 3.28Å; Q1013-Q1307 HydrophobicContact CG-CB 3.88Å; R1273-Q1307 WeakPolarHBondContact CA-O 3.47Å; S1274-Q1307 PolarHBondContact N-O 2.85Å; Q1307-F1309 PolarHBondContact O-N 3.37Å; Q1307-D1327 PolarHBondContact NE2-OD2 2.96Å; Q1307-D1327 VanDerWaalsContact OE1-CA 3.26Å; Q1307-D1327 PolarHBondContact OE1-O 2.88Å; Q1307-D1327 PolarHBondContact OE1-OD2 2.62Å; Q1307-Y1328 HydrophobicContact CB-CD2 4.37Å
1308	S	98.2	Very high	97	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	34.2	173.3	-65.7	0	0	0	0	115.3	D1017 S1274 G1310 V1311 D1327	D1017-S1308 VanDerWaalsContact CG-OG 3.28Å; D1017-S1308 WeakPolarHBondContact OD1-CB 3.09Å; D1017-S1308 PolarHBondContact OD1-OG 2.73Å; D1017-S1308 PolarHBondContact OD2-OG 2.87Å; S1274-S1308 VanDerWaalsContact CA-O 3.3Å; S1274-S1308 WeakPolarHBondContact CA-O 3.27Å; S1308-G1310 PolarHBondContact O-N 3.43Å; S1308-V1311 VanDerWaalsContact O-CB 3.27Å; S1308-V1311 WeakPolarHBondContact O-CB 3.42Å; S1308-V1311 VanDerWaalsContact O-CG1 3.28Å; S1308-V1311 WeakPolarHBondContact O-CG1 3.24Å; S1308-V1311 PolarHBondContact O-N 2.71Å; S1308-V1311 VanDerWaalsContact O-N 3.07Å; S1308-D1327 PolarHBondContact N-O 3.19Å
1309	F	98.7	Very high	97	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.009	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	124.6	174.2	-173.9	-104.9	0	0	0	112	I1268 V1275 F1301 A1305 Q1307 V1311 L1319 L1321 V1329 G1330 I1338 I1340	I1268-F1309 HydrophobicContact CD1-CD2 3.9Å; I1268-F1309 HydrophobicContact CD1-CE2 3.78Å; V1275-F1309 HydrophobicContact CB-CD2 4.01Å; V1275-F1309 HydrophobicContact CB-CE2 4.23Å; V1275-F1309 HydrophobicContact CG1-CE2 4.27Å; F1301-F1309 HydrophobicContact CD2-CE2 4.02Å; F1301-F1309 AromaticContact CD2-CZ 3.78Å; F1301-F1309 HydrophobicContact CD2-CZ 3.78Å; F1301-F1309 HydrophobicContact CE2-CE2 4.19Å; F1301-F1309 HydrophobicContact CE2-CZ 4.09Å; F1301-F1309 HydrophobicContact CG-CE2 4.3Å; F1301-F1309 HydrophobicContact CG-CZ 4.38Å; A1305-F1309 HydrophobicContact CB-CB 3.84Å; A1305-F1309 HydrophobicContact CB-CD2 3.56Å; A1305-F1309 HydrophobicContact CB-CE2 4.26Å; A1305-F1309 HydrophobicContact CB-CG 3.75Å; Q1307-F1309 PolarHBondContact O-N 3.37Å; F1309-V1311 VanDerWaalsContact C-N 3.29Å; F1309-V1311 PolarHBondContact O-N 3.04Å; F1309-L1319 HydrophobicContact CE1-CB 3.98Å; F1309-L1319 HydrophobicContact CE1-CD1 4.32Å; F1309-L1319 HydrophobicContact CZ-CB 3.88Å; F1309-L1319 HydrophobicContact CZ-CD1 4.25Å; F1309-L1321 HydrophobicContact CD1-CD2 4.37Å; F1309-L1321 HydrophobicContact CE1-CB 4.13Å; F1309-L1321 HydrophobicContact CE1-CD2 4.21Å; F1309-L1321 HydrophobicContact CZ-CB 4.16Å; F1309-L1321 HydrophobicContact CZ-CD2 4.41Å; F1309-V1329 WeakPolarHBondContact O-CA 3.28Å; F1309-G1330 PolarHBondContact O-N 3.01Å; F1309-I1338 HydrophobicContact CD1-CG2 4.23Å; F1309-I1338 HydrophobicContact CE1-CG2 4.06Å; F1309-I1340 HydrophobicContact CD1-CD1 4.3Å
1310	G	98.2	Very high	97	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	26.8	-174.5	0	0	0	0	0	114.2	V1275 S1308 N1313 G1330	V1275-G1310 WeakPolarHBondContact O-CA 3.38Å; V1275-G1310 PolarHBondContact O-N 3.25Å; S1308-G1310 PolarHBondContact O-N 3.43Å; G1310-N1313 WeakPolarHBondContact O-CB 3.46Å; G1310-N1313 PolarHBondContact O-N 3.34Å; G1310-G1330 WeakPolarHBondContact O-CA 3.16Å
1311	V	98.3	Very high	97	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	138.4	172.1	69.7	0	0	0	0	110.9	D1017 A1277 S1308 F1309 N1313 K1331	D1017-V1311 HydrophobicContact CB-CG1 4.36Å; D1017-V1311 HydrophobicContact CB-CG2 4.28Å; A1277-V1311 HydrophobicContact CB-CG1 3.82Å; S1308-V1311 VanDerWaalsContact O-CB 3.27Å; S1308-V1311 WeakPolarHBondContact O-CB 3.42Å; S1308-V1311 VanDerWaalsContact O-CG1 3.28Å; S1308-V1311 WeakPolarHBondContact O-CG1 3.24Å; S1308-V1311 PolarHBondContact O-N 2.71Å; S1308-V1311 VanDerWaalsContact O-N 3.07Å; F1309-V1311 VanDerWaalsContact C-N 3.29Å; F1309-V1311 PolarHBondContact O-N 3.04Å; V1311-N1313 PolarHBondContact O-N 2.52Å; V1311-K1331 CarbonylContact C-O 3.48Å; V1311-K1331 WeakPolarHBondContact CA-O 3.41Å; V1311-K1331 HydrophobicContact CB-CB 4.47Å; V1311-K1331 HydrophobicContact CG2-CB 3.88Å; V1311-K1331 HydrophobicContact CG2-CD 3.86Å; V1311-K1331 HydrophobicContact CG2-CG 3.77Å; V1311-K1331 WeakPolarHBondContact CG2-O 3.08Å
1312	W	97.8	Very high	97	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	31.6	-176.5	-41	122	0	0	0	113.6	V948 P950 L953 L1014 D1017 L1018 V1021 S1280 A1314 K1331	V948-W1312 HydrophobicContact CG1-CH2 4.03Å; V948-W1312 HydrophobicContact CG1-CZ3 3.71Å; P950-W1312 HydrophobicContact CG-CB 4.1Å; P950-W1312 WeakPolarHBondContact CG-O 3.36Å; L953-W1312 HydrophobicContact CD1-CD2 3.61Å; L953-W1312 HydrophobicContact CD1-CE3 3.82Å; L953-W1312 HydrophobicContact CD1-CG 4.09Å; L953-W1312 HydrophobicContact CD1-CH2 4.34Å; L953-W1312 HydrophobicContact CD1-CZ2 4.14Å; L953-W1312 HydrophobicContact CD1-CZ3 4.17Å; L1014-W1312 HydrophobicContact CD1-CZ2 4.18Å; D1017-W1312 PolarHBondContact O-NE1 2.9Å; L1018-W1312 HydrophobicContact CD2-CZ2 3.86Å; V1021-W1312 HydrophobicContact CB-CG 4.33Å; V1021-W1312 HydrophobicContact CG1-CG 4.3Å; V1021-W1312 HydrophobicContact CG2-CB 4.15Å; V1021-W1312 HydrophobicContact CG2-CG 4.35Å; S1280-W1312 WeakPolarHBondContact CB-O 3.29Å; S1280-W1312 PolarHBondContact OG-O 3.43Å; W1312-A1314 PolarHBondContact O-N 2.76Å; W1312-K1331 PolarHBondContact N-O 3.42Å
1313	N	97.9	Very high	96.9	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.042	C	C	.	.			trans	-62.4	125.6	-175.4	-161.8	80.9	0	0	0	112.3	S1280 G1310 V1311 V1317 M1333 A1334 G1335	S1280-N1313 WeakPolarHBondContact OG-CA 3.48Å; G1310-N1313 WeakPolarHBondContact O-CB 3.46Å; G1310-N1313 PolarHBondContact O-N 3.34Å; V1311-N1313 PolarHBondContact O-N 2.52Å; N1313-V1317 PolarHBondContact ND2-O 3.5Å; N1313-V1317 WeakPolarHBondContact OD1-CB 3.41Å; N1313-V1317 WeakPolarHBondContact OD1-CG1 3.49Å; N1313-M1333 HydrophobicContact CB-CB 4.47Å; N1313-M1333 HydrophobicContact CB-CE 4.38Å; N1313-M1333 HydrophobicContact CB-CG 4.1Å; N1313-A1334 PolarHBondContact O-N 3.21Å; N1313-G1335 CarbonylContact C-O 3.51Å; N1313-G1335 PolarHBondContact ND2-O 2.81Å; N1313-G1335 PolarHBondContact O-N 2.65Å
1314	A	96.7	Very high	96.9	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.029	C	C	.	.			trans	-90.6	159.3	-178	0	0	0	0	0	113.1	S1280 I1283 W1312 G1316 V1317 G1335 G1336	S1280-A1314 PolarHBondContact OG-N 2.66Å; I1283-A1314 HydrophobicContact CB-CB 4.47Å; I1283-A1314 HydrophobicContact CG2-CB 4.24Å; W1312-A1314 PolarHBondContact O-N 2.76Å; A1314-G1316 PolarHBondContact O-N 3.11Å; A1314-G1316 VanDerWaalsContact O-N 3.09Å; A1314-V1317 PolarHBondContact O-N 3.14Å; A1314-V1317 VanDerWaalsContact O-N 3.1Å; A1314-G1335 CarbonylContact O-C 3.56Å; A1314-G1336 PolarHBondContact O-N 2.63Å
1315	G	91.5	Very high	97	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	107.3	169.2	0	0	0	0	0	111.3	D1289 L1292 A1293	D1289-G1315 WeakPolarHBondContact O-CA 3.36Å; D1289-G1315 PolarHBondContact O-N 2.7Å; L1292-G1315 CarbonylContact C-O 3.13Å; L1292-G1315 PolarHBondContact N-O 3.24Å; A1293-G1315 PolarHBondContact N-O 3.47Å
1316	G	91.2	Very high	96.9	Very high	2 Å²	2	4.6 Å²	4.6	2%	0.021	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	119.9	4.2	-171.8	0	0	0	0	0	114.6	L1292 P1296 I1297 A1314	L1292-G1316 WeakPolarHBondContact O-CA 3.43Å; P1296-G1316 CarbonylContact C-O 3.55Å; P1296-G1316 VanDerWaalsContact CA-O 3.24Å; P1296-G1316 WeakPolarHBondContact CA-O 3.41Å; I1297-G1316 PolarHBondContact N-O 3.07Å; A1314-G1316 PolarHBondContact O-N 3.11Å; A1314-G1316 VanDerWaalsContact O-N 3.09Å
1317	V	97.7	Very high	97	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120.5	172.6	-173.9	0	0	0	0	110.2	L1279 I1283 N1313 A1314 L1319 G1336 L1337	L1279-V1317 HydrophobicContact CD2-CG1 4.18Å; L1279-V1317 HydrophobicContact CD2-CG2 4.18Å; L1279-V1317 HydrophobicContact CG-CG2 4.14Å; I1283-V1317 HydrophobicContact CD1-CG2 3.38Å; N1313-V1317 PolarHBondContact ND2-O 3.5Å; N1313-V1317 WeakPolarHBondContact OD1-CB 3.41Å; N1313-V1317 WeakPolarHBondContact OD1-CG1 3.49Å; A1314-V1317 PolarHBondContact O-N 3.14Å; A1314-V1317 VanDerWaalsContact O-N 3.1Å; V1317-L1319 HydrophobicContact CG1-CD2 3.63Å; V1317-L1319 HydrophobicContact CG1-CG 4Å; V1317-G1336 VanDerWaalsContact O-CA 3.29Å; V1317-G1336 WeakPolarHBondContact O-CA 3.4Å; V1317-L1337 PolarHBondContact O-N 2.98Å
1318	E	98.2	Very high	97.1	Very high	25 Å²	25	5 Å²	5	12%	0.117	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	121.2	171.5	-56.6	-178.1	-159.8	0	0	110.7	P1296 I1297 K1298 A1299 Y1320 L1337	P1296-E1318 HydrophobicContact CB-CG 3.97Å; P1296-E1318 HydrophobicContact CG-CG 4.37Å; P1296-E1318 WeakPolarHBondContact CG-OE1 3.49Å; I1297-E1318 PolarHBondContact O-N 2.79Å; K1298-E1318 CarbonylContact C-O 3.45Å; K1298-E1318 WeakPolarHBondContact CA-O 3.26Å; K1298-E1318 HydrophobicContact CB-CB 4.41Å; K1298-E1318 WeakPolarHBondContact CD-OE2 3.49Å; K1298-E1318 WeakPolarHBondContact CE-OE1 3.34Å; K1298-E1318 WeakPolarHBondContact CE-OE2 3.41Å; K1298-E1318 HydrophobicContact CG-CB 4.15Å; K1298-E1318 HydrophobicContact CG-CG 4.35Å; K1298-E1318 IonicContact NZ-OE1 3.56Å; K1298-E1318 PolarHBondContact NZ-OE1 3.1Å; K1298-E1318 IonicContact NZ-OE2 3.97Å; K1298-E1318 PolarHBondContact NZ-OE2 3.41Å; A1299-E1318 PolarHBondContact N-O 3.07Å; E1318-Y1320 HydrophobicContact CB-CD2 4.41Å; E1318-Y1320 HydrophobicContact CB-CE2 3.67Å; E1318-Y1320 VanDerWaalsContact OE2-CE2 3.29Å; E1318-Y1320 WeakPolarHBondContact OE2-CE2 3.38Å; E1318-Y1320 PolarHBondContact OE2-OH 3.05Å; E1318-L1337 CarbonylContact C-O 3.37Å; E1318-L1337 VanDerWaalsContact CA-O 3.3Å; E1318-L1337 WeakPolarHBondContact CA-O 3.24Å; E1318-L1337 HydrophobicContact CB-CB 4.36Å; E1318-L1337 HydrophobicContact CG-CB 4.06Å
1319	L	98.6	Very high	97.1	Very high	1 Å²	1	5 Å²	5	1%	0.005	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	120.6	-179.6	-51.7	178.9	0	0	0	110.1	A1299 F1301 F1309 V1317 L1337 I1338 A1339	A1299-L1319 HydrophobicContact CB-CD2 4.18Å; F1301-L1319 HydrophobicContact CE2-CB 4.42Å; F1301-L1319 HydrophobicContact CE2-CD2 3.93Å; F1301-L1319 HydrophobicContact CZ-CD2 4.46Å; F1309-L1319 HydrophobicContact CE1-CB 3.98Å; F1309-L1319 HydrophobicContact CE1-CD1 4.32Å; F1309-L1319 HydrophobicContact CZ-CB 3.88Å; F1309-L1319 HydrophobicContact CZ-CD1 4.25Å; V1317-L1319 HydrophobicContact CG1-CD2 3.63Å; V1317-L1319 HydrophobicContact CG1-CG 4Å; L1319-L1337 PolarHBondContact N-O 3.03Å; L1319-I1338 HydrophobicContact CB-CG1 4.5Å; L1319-I1338 HydrophobicContact CD1-CG1 4.49Å; L1319-I1338 CarbonylContact O-C 3.51Å; L1319-I1338 WeakPolarHBondContact O-CA 3.38Å; L1319-A1339 PolarHBondContact O-N 2.71Å
1320	Y	98.7	Very high	97.1	Very high	27 Å²	27	5 Å²	5	11%	0.106	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.9	179.2	-65.2	-94.6	0	0	0	109.7	A1299 Y1300 F1301 E1318 L1337 A1339	A1299-Y1320 PolarHBondContact O-N 3.48Å; Y1300-Y1320 CarbonylContact C-O 3.49Å; Y1300-Y1320 WeakPolarHBondContact CA-O 3.47Å; Y1300-Y1320 VanDerWaalsContact CD1-CB 3.47Å; Y1300-Y1320 HydrophobicContact CD1-CD2 4.38Å; Y1300-Y1320 AromaticContact CD1-CG 4Å; Y1300-Y1320 HydrophobicContact CD1-CG 4Å; Y1300-Y1320 HydrophobicContact CE1-CD1 4.06Å; Y1300-Y1320 AromaticContact CE1-CD2 3.96Å; Y1300-Y1320 HydrophobicContact CE1-CD2 3.96Å; Y1300-Y1320 AromaticContact CE1-CG 3.62Å; Y1300-Y1320 HydrophobicContact CE1-CG 3.62Å; Y1300-Y1320 HydrophobicContact CE2-CD2 4.08Å; Y1300-Y1320 AromaticContact CZ-CD2 3.79Å; Y1300-Y1320 AromaticContact CZ-CG 3.92Å; F1301-Y1320 PolarHBondContact N-O 3.39Å; E1318-Y1320 HydrophobicContact CB-CD2 4.41Å; E1318-Y1320 HydrophobicContact CB-CE2 3.67Å; E1318-Y1320 VanDerWaalsContact OE2-CE2 3.29Å; E1318-Y1320 WeakPolarHBondContact OE2-CE2 3.38Å; E1318-Y1320 PolarHBondContact OE2-OH 3.05Å; Y1320-L1337 HydrophobicContact CE1-CD2 3.98Å; Y1320-L1337 HydrophobicContact CE2-CD2 4.34Å; Y1320-A1339 CarbonylContact C-O 3.6Å; Y1320-A1339 WeakPolarHBondContact CA-O 3.35Å; Y1320-A1339 HydrophobicContact CD1-CB 3.72Å; Y1320-A1339 HydrophobicContact CE1-CB 4.02Å
1321	L	98.6	Very high	97.1	Very high	1 Å²	1	5 Å²	5	1%	0.005	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122.2	-178.4	179.6	59.5	0	0	0	110.8	I1268 F1301 A1305 F1309 D1324 A1325 A1339 I1340 R1341	I1268-L1321 HydrophobicContact CG2-CD1 3.68Å; F1301-L1321 HydrophobicContact CB-CD1 3.71Å; A1305-L1321 HydrophobicContact CB-CD2 3.7Å; F1309-L1321 HydrophobicContact CD1-CD2 4.37Å; F1309-L1321 HydrophobicContact CE1-CB 4.13Å; F1309-L1321 HydrophobicContact CE1-CD2 4.21Å; F1309-L1321 HydrophobicContact CZ-CB 4.16Å; F1309-L1321 HydrophobicContact CZ-CD2 4.41Å; L1321-D1324 WeakPolarHBondContact CD2-O 3.4Å; L1321-A1325 HydrophobicContact CD2-CB 4.02Å; L1321-A1339 PolarHBondContact N-O 2.99Å; L1321-I1340 HydrophobicContact CB-CB 4.49Å; L1321-I1340 HydrophobicContact CB-CG1 4.12Å; L1321-I1340 HydrophobicContact CB-CG2 4.23Å; L1321-I1340 HydrophobicContact CD2-CD1 4.25Å; L1321-I1340 HydrophobicContact CD2-CG1 4.38Å; L1321-I1340 HydrophobicContact CD2-CG2 4.04Å; L1321-I1340 HydrophobicContact CG-CG2 4.22Å; L1321-I1340 WeakPolarHBondContact O-CA 3.2Å; L1321-R1341 PolarHBondContact O-N 3.47Å
1322	T	97.8	Very high	97	Very high	24 Å²	24	5 Å²	5	15%	0.147	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	107.2	168.2	-57.9	0	0	0	0	108.4	F1301 N1302 G1303 R1341 P1343	F1301-T1322 PolarHBondContact O-N 3.42Å; N1302-T1322 PolarHBondContact OD1-O 3.17Å; G1303-T1322 PolarHBondContact N-O 2.91Å; G1303-T1322 VanDerWaalsContact N-O 3.08Å; T1322-R1341 CarbonylContact C-O 3.48Å; T1322-R1341 WeakPolarHBondContact CA-O 3.39Å; T1322-R1341 PolarHBondContact OG1-NE 3.09Å; T1322-P1343 HydrophobicContact CG2-CB 4.26Å; T1322-P1343 HydrophobicContact CG2-CG 4.4Å
1323	G	95.2	Very high	97	Very high	6 Å²	6	5 Å²	5	6%	0.062	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.4	-129.4	-168.9	0	0	0	0	0	112.5	G1303 R1341	G1303-G1323 WeakPolarHBondContact O-CA 3.41Å; G1323-R1341 PolarHBondContact N-O 2.82Å
1324	D	95.5	Very high	96.9	Very high	3 Å²	3	5.1 Å²	5.1	2%	0.016	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	168.2	178	51.9	24.1	0	0	0	111.7	V406 K419 T1304 A1305 L1321 I1355	V406-D1324 WeakPolarHBondContact CG2-OD2 2.99Å; K419-D1324 IonicContact NZ-OD2 3.38Å; K419-D1324 PolarHBondContact NZ-OD2 2.78Å; T1304-D1324 CarbonylContact C-O 3.57Å; T1304-D1324 VanDerWaalsContact CA-O 3.29Å; T1304-D1324 WeakPolarHBondContact CA-O 3.44Å; T1304-D1324 VanDerWaalsContact CB-OD1 3.24Å; T1304-D1324 WeakPolarHBondContact CB-OD1 3.08Å; T1304-D1324 WeakPolarHBondContact CG2-OD1 3.36Å; T1304-D1324 PolarHBondContact OG1-OD1 3.33Å; A1305-D1324 PolarHBondContact N-O 3.23Å; L1321-D1324 WeakPolarHBondContact CD2-O 3.4Å; D1324-I1355 WeakPolarHBondContact CA-O 3.26Å; D1324-I1355 HydrophobicContact CB-CG1 4.21Å; D1324-I1355 WeakPolarHBondContact CB-O 3.4Å
1325	A	97.5	Very high	96.8	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	157.7	177.2	0	0	0	0	0	111.9	A1305 L1321 V1329 I1340 I1355 I1356 G1357	A1305-A1325 HydrophobicContact CB-CB 3.87Å; L1321-A1325 HydrophobicContact CD2-CB 4.02Å; A1325-V1329 HydrophobicContact CB-CG2 3.64Å; A1325-I1340 HydrophobicContact CB-CD1 4.23Å; A1325-I1355 PolarHBondContact N-O 3.08Å; A1325-I1356 HydrophobicContact CB-CG2 4.27Å; A1325-I1356 WeakPolarHBondContact O-CA 3.41Å; A1325-G1357 PolarHBondContact O-N 2.82Å
1326	N	97	Very high	97	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.011	4%	0.039	C	C	.	.			trans	-82.1	-151.8	173	-71	-78.2	0	0	0	110.9	E405 V406 A1305 G1357	E405-N1326 WeakPolarHBondContact CA-OD1 3.19Å; E405-N1326 VanDerWaalsContact CB-OD1 3.31Å; E405-N1326 WeakPolarHBondContact CB-OD1 3.4Å; V406-N1326 PolarHBondContact N-OD1 2.84Å; V406-N1326 PolarHBondContact O-ND2 3.19Å; A1305-N1326 PolarHBondContact O-N 3Å; A1305-N1326 PolarHBondContact O-ND2 3.2Å; N1326-G1357 WeakPolarHBondContact O-CA 3.37Å; N1326-G1357 PolarHBondContact O-N 3.38Å
1327	D	96.8	Very high	97.4	Very high	3 Å²	3	6.8 Å²	6.8	2%	0.016	4%	0.042	C	C	.	.	S	Bend	trans	-74.4	167.7	-173.9	-43.8	-62	0	0	0	112.3	Q1307 S1308 V1329 G1357 N1358	Q1307-D1327 PolarHBondContact NE2-OD2 2.96Å; Q1307-D1327 VanDerWaalsContact OE1-CA 3.26Å; Q1307-D1327 PolarHBondContact OE1-O 2.88Å; Q1307-D1327 PolarHBondContact OE1-OD2 2.62Å; S1308-D1327 PolarHBondContact N-O 3.19Å; D1327-V1329 VanDerWaalsContact C-N 3.33Å; D1327-V1329 PolarHBondContact O-N 3.44Å; D1327-G1357 WeakPolarHBondContact OD1-CA 3.42Å; D1327-N1358 HydrophobicContact CB-CB 4.49Å; D1327-N1358 WeakPolarHBondContact OD1-CB 3.43Å; D1327-N1358 PolarHBondContact OD1-N 3.02Å
1328	Y	98.2	Very high	97.4	Very high	10 Å²	10	6.8 Å²	6.8	4%	0.039	4%	0.042	C	C	.	.			trans	65.9	22.9	170.9	-40.7	-49.4	0	0	0	116.1	D1004 Q1013 Q1307 G1330 K1331 N1358 T1359	D1004-Y1328 HydrophobicContact CB-CD1 4.05Å; D1004-Y1328 HydrophobicContact CB-CE1 3.79Å; Q1013-Y1328 HydrophobicContact CG-CD2 4.44Å; Q1013-Y1328 HydrophobicContact CG-CE2 4.44Å; Q1307-Y1328 HydrophobicContact CB-CD2 4.37Å; Y1328-G1330 PolarHBondContact O-N 3.15Å; Y1328-K1331 HydrophobicContact CG-CD 4.23Å; Y1328-K1331 WeakPolarHBondContact O-CB 3.35Å; Y1328-K1331 PolarHBondContact O-N 3.45Å; Y1328-N1358 PolarHBondContact N-O 2.96Å; Y1328-T1359 HydrophobicContact CD1-CG2 3.84Å; Y1328-T1359 HydrophobicContact CE1-CG2 4.03Å
1329	V	98.8	Very high	97.4	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	126.9	175.3	-179.4	0	0	0	0	110.5	F1309 A1325 D1327 K1331 I1338 I1340 I1356 C1360 L1361 L1369	F1309-V1329 WeakPolarHBondContact O-CA 3.28Å; A1325-V1329 HydrophobicContact CB-CG2 3.64Å; D1327-V1329 VanDerWaalsContact C-N 3.33Å; D1327-V1329 PolarHBondContact O-N 3.44Å; V1329-K1331 PolarHBondContact O-N 3.32Å; V1329-I1338 HydrophobicContact CG1-CG2 4.15Å; V1329-I1340 HydrophobicContact CG1-CD1 3.74Å; V1329-I1340 HydrophobicContact CG2-CD1 4.38Å; V1329-I1356 HydrophobicContact CG2-CB 4.04Å; V1329-I1356 HydrophobicContact CG2-CG2 3.9Å; V1329-C1360 HydrophobicContact CB-CB 4.31Å; V1329-C1360 CarbonylContact O-C 3.58Å; V1329-C1360 WeakPolarHBondContact O-CA 3.43Å; V1329-L1361 PolarHBondContact O-N 2.98Å; V1329-L1369 HydrophobicContact CG1-CD1 4.06Å
1330	G	98.3	Very high	97.4	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	18.8	-179.7	0	0	0	0	0	114.9	F1309 G1310 Y1328 G1332 M1333	F1309-G1330 PolarHBondContact O-N 3.01Å; G1310-G1330 WeakPolarHBondContact O-CA 3.16Å; Y1328-G1330 PolarHBondContact O-N 3.15Å; G1330-G1332 PolarHBondContact O-N 3.23Å; G1330-M1333 WeakPolarHBondContact O-CB 3.46Å; G1330-M1333 PolarHBondContact O-N 3Å
1331	K	98.5	Very high	97.3	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	124	174.1	165.4	-177.2	167.8	175.6	0	110.7	D1004 D1017 V1311 W1312 Y1328 V1329 M1333	D1004-K1331 WeakPolarHBondContact OD2-CE 3.35Å; D1004-K1331 IonicContact OD2-NZ 3.79Å; D1004-K1331 PolarHBondContact OD2-NZ 2.98Å; D1017-K1331 WeakPolarHBondContact OD2-CE 3.28Å; D1017-K1331 IonicContact OD2-NZ 2.67Å; D1017-K1331 PolarHBondContact OD2-NZ 3.44Å; V1311-K1331 CarbonylContact C-O 3.48Å; V1311-K1331 WeakPolarHBondContact CA-O 3.41Å; V1311-K1331 HydrophobicContact CB-CB 4.47Å; V1311-K1331 HydrophobicContact CG2-CB 3.88Å; V1311-K1331 HydrophobicContact CG2-CD 3.86Å; V1311-K1331 HydrophobicContact CG2-CG 3.77Å; V1311-K1331 WeakPolarHBondContact CG2-O 3.08Å; W1312-K1331 PolarHBondContact N-O 3.42Å; Y1328-K1331 HydrophobicContact CG-CD 4.23Å; Y1328-K1331 WeakPolarHBondContact O-CB 3.35Å; Y1328-K1331 PolarHBondContact O-N 3.45Å; V1329-K1331 PolarHBondContact O-N 3.32Å; K1331-M1333 PolarHBondContact O-N 3.34Å
1332	G	97.1	Very high	97.2	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	25.2	-177.3	0	0	0	0	0	115.2	G1330 A1334 Y1362	G1330-G1332 PolarHBondContact O-N 3.23Å; G1332-A1334 PolarHBondContact O-N 2.99Å; G1332-Y1362 PolarHBondContact N-O 3.2Å
1333	M	97.7	Very high	96.9	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.058	C	C	.	.			trans	-56.9	125.5	173.7	176	175.2	-151.3	0	0	110.7	N1313 G1330 K1331 G1335 G1336 I1338 L1361 A1364 T1365 G1366 R1368	N1313-M1333 HydrophobicContact CB-CB 4.47Å; N1313-M1333 HydrophobicContact CB-CE 4.38Å; N1313-M1333 HydrophobicContact CB-CG 4.1Å; G1330-M1333 WeakPolarHBondContact O-CB 3.46Å; G1330-M1333 PolarHBondContact O-N 3Å; K1331-M1333 PolarHBondContact O-N 3.34Å; M1333-G1335 WeakPolarHBondContact CE-O 3.38Å; M1333-G1336 WeakPolarHBondContact CE-O 3.33Å; M1333-I1338 HydrophobicContact CE-CD1 4.12Å; M1333-I1338 HydrophobicContact CE-CG1 3.93Å; M1333-I1338 HydrophobicContact SD-CD1 4.08Å; M1333-I1338 HydrophobicContact SD-CG1 4.49Å; M1333-L1361 HydrophobicContact SD-CD2 4.18Å; M1333-A1364 HydrophobicContact CB-CB 4.02Å; M1333-A1364 CarbonylContact O-C 3.4Å; M1333-A1364 VanDerWaalsContact O-CA 3.23Å; M1333-A1364 WeakPolarHBondContact O-CA 3.39Å; M1333-A1364 WeakPolarHBondContact O-CB 3.42Å; M1333-T1365 PolarHBondContact O-N 3.2Å; M1333-G1366 WeakPolarHBondContact CG-O 3.31Å; M1333-G1366 PolarHBondContact O-N 3.43Å; M1333-R1368 WeakPolarHBondContact CE-O 3.42Å
1334	A	95.6	Very high	96.5	Very high	3 Å²	3	16.8 Å²	16.8	3%	0.025	10%	0.096	C	C	.	.			trans	-103.3	-22.5	177	0	0	0	0	0	112.4	P950 Q1290 N1313 G1332 T1365 G1366	P950-A1334 HydrophobicContact CG-CB 4.19Å; Q1290-A1334 PolarHBondContact NE2-O 3.31Å; N1313-A1334 PolarHBondContact O-N 3.21Å; G1332-A1334 PolarHBondContact O-N 2.99Å; A1334-T1365 WeakPolarHBondContact CA-OG1 3.42Å; A1334-G1366 WeakPolarHBondContact O-CA 3.45Å
1335	G	94.6	Very high	95.9	Very high	2 Å²	2	19.5 Å²	19.5	2%	0.021	13%	0.125	C	C	.	.	S	Bend	trans	-170.1	-170.9	-179.9	0	0	0	0	0	112.5	N1313 A1314 M1333	N1313-G1335 CarbonylContact C-O 3.51Å; N1313-G1335 PolarHBondContact ND2-O 2.81Å; N1313-G1335 PolarHBondContact O-N 2.65Å; A1314-G1335 CarbonylContact O-C 3.56Å; M1333-G1335 WeakPolarHBondContact CE-O 3.38Å
1336	G	96	Very high	95.3	Very high	23 Å²	23	20.8 Å²	20.8	24%	0.237	13%	0.134	C	C	.	.	S	Bend	trans	75.9	-159	179.4	0	0	0	0	0	113.3	A1314 V1317 M1333 G1367 R1368	A1314-G1336 PolarHBondContact O-N 2.63Å; V1317-G1336 VanDerWaalsContact O-CA 3.29Å; V1317-G1336 WeakPolarHBondContact O-CA 3.4Å; M1333-G1336 WeakPolarHBondContact CE-O 3.33Å; G1336-G1367 WeakPolarHBondContact O-CA 3.24Å; G1336-R1368 PolarHBondContact O-N 3.35Å
1337	L	98.2	Very high	94.7	Very high	13 Å²	13	24.4 Å²	24.4	7%	0.068	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	140.1	-172.4	-178.2	144.8	0	0	0	111.8	V1317 E1318 L1319 Y1320 A1339 R1368 Y1370 H1468	V1317-L1337 PolarHBondContact O-N 2.98Å; E1318-L1337 CarbonylContact C-O 3.37Å; E1318-L1337 VanDerWaalsContact CA-O 3.3Å; E1318-L1337 WeakPolarHBondContact CA-O 3.24Å; E1318-L1337 HydrophobicContact CB-CB 4.36Å; E1318-L1337 HydrophobicContact CG-CB 4.06Å; L1319-L1337 PolarHBondContact N-O 3.03Å; Y1320-L1337 HydrophobicContact CE1-CD2 3.98Å; Y1320-L1337 HydrophobicContact CE2-CD2 4.34Å; L1337-A1339 HydrophobicContact CD2-CB 3.95Å; L1337-R1368 CarbonylContact C-O 3.6Å; L1337-R1368 WeakPolarHBondContact CA-O 3.48Å; L1337-Y1370 HydrophobicContact CD1-CD2 4.27Å; L1337-Y1370 HydrophobicContact CD1-CE2 3.85Å; L1337-Y1370 HydrophobicContact CG-CD2 4.46Å; L1337-Y1370 HydrophobicContact CG-CE2 4.39Å; L1337-H1468 VanDerWaalsContact CD1-CE1 3.43Å; L1337-H1468 WeakPolarHBondContact CD1-CE1 3.39Å
1338	I	98.8	Very high	94.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	124.3	169.6	-58.6	171.2	0	0	0	107.7	F1309 L1319 V1329 M1333 I1340 R1368 L1369 Y1370	F1309-I1338 HydrophobicContact CD1-CG2 4.23Å; F1309-I1338 HydrophobicContact CE1-CG2 4.06Å; L1319-I1338 HydrophobicContact CB-CG1 4.5Å; L1319-I1338 HydrophobicContact CD1-CG1 4.49Å; L1319-I1338 CarbonylContact O-C 3.51Å; L1319-I1338 WeakPolarHBondContact O-CA 3.38Å; V1329-I1338 HydrophobicContact CG1-CG2 4.15Å; M1333-I1338 HydrophobicContact CE-CD1 4.12Å; M1333-I1338 HydrophobicContact CE-CG1 3.93Å; M1333-I1338 HydrophobicContact SD-CD1 4.08Å; M1333-I1338 HydrophobicContact SD-CG1 4.49Å; I1338-I1340 HydrophobicContact CG2-CD1 4.06Å; I1338-I1340 HydrophobicContact CG2-CG1 3.98Å; I1338-R1368 PolarHBondContact N-O 2.93Å; I1338-L1369 HydrophobicContact CB-CD1 3.78Å; I1338-L1369 HydrophobicContact CG2-CD1 3.64Å; I1338-L1369 CarbonylContact O-C 3.12Å; I1338-L1369 WeakPolarHBondContact O-CA 3.36Å; I1338-Y1370 PolarHBondContact O-N 3.32Å
1339	A	98.6	Very high	93.8	Very high	3 Å²	3	32.6 Å²	32.6	3%	0.025	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125	175.9	0	0	0	0	0	110.2	L1319 Y1320 L1321 L1337 Y1370 H1468	L1319-A1339 PolarHBondContact O-N 2.71Å; Y1320-A1339 CarbonylContact C-O 3.6Å; Y1320-A1339 WeakPolarHBondContact CA-O 3.35Å; Y1320-A1339 HydrophobicContact CD1-CB 3.72Å; Y1320-A1339 HydrophobicContact CE1-CB 4.02Å; L1321-A1339 PolarHBondContact N-O 2.99Å; L1337-A1339 HydrophobicContact CD2-CB 3.95Å; A1339-Y1370 CarbonylContact C-O 3.52Å; A1339-Y1370 WeakPolarHBondContact CA-O 3.23Å; A1339-H1468 HydrophobicContact CB-CB 4.1Å
1340	I	98.6	Very high	93.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	128	-176.5	-50.9	-176.3	0	0	0	109	F1309 L1321 A1325 V1329 I1338 I1355 I1356 Y1370 A1371 A1372	F1309-I1340 HydrophobicContact CD1-CD1 4.3Å; L1321-I1340 HydrophobicContact CB-CB 4.49Å; L1321-I1340 HydrophobicContact CB-CG1 4.12Å; L1321-I1340 HydrophobicContact CB-CG2 4.23Å; L1321-I1340 HydrophobicContact CD2-CD1 4.25Å; L1321-I1340 HydrophobicContact CD2-CG1 4.38Å; L1321-I1340 HydrophobicContact CD2-CG2 4.04Å; L1321-I1340 HydrophobicContact CG-CG2 4.22Å; L1321-I1340 WeakPolarHBondContact O-CA 3.2Å; A1325-I1340 HydrophobicContact CB-CD1 4.23Å; V1329-I1340 HydrophobicContact CG1-CD1 3.74Å; V1329-I1340 HydrophobicContact CG2-CD1 4.38Å; I1338-I1340 HydrophobicContact CG2-CD1 4.06Å; I1338-I1340 HydrophobicContact CG2-CG1 3.98Å; I1340-I1355 HydrophobicContact CG2-CD1 3.92Å; I1340-I1355 HydrophobicContact CG2-CG1 3.88Å; I1340-I1356 HydrophobicContact CD1-CG2 3.62Å; I1340-I1356 HydrophobicContact CG2-CG2 4.5Å; I1340-Y1370 PolarHBondContact N-O 2.95Å; I1340-A1371 WeakPolarHBondContact O-CA 3.36Å; I1340-A1372 PolarHBondContact O-N 3.31Å
1341	R	97.1	Very high	93.1	Very high	96 Å²	96	35.1 Å²	35.1	36%	0.362	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	150.2	-178.4	67.2	179.5	-178.9	-172.9	-1.1	112	L1321 T1322 G1323 A1372 T1469	L1321-R1341 PolarHBondContact O-N 3.47Å; T1322-R1341 CarbonylContact C-O 3.48Å; T1322-R1341 WeakPolarHBondContact CA-O 3.39Å; T1322-R1341 PolarHBondContact OG1-NE 3.09Å; G1323-R1341 PolarHBondContact N-O 2.82Å; R1341-A1372 HydrophobicContact CB-CB 4.41Å; R1341-T1469 WeakPolarHBondContact CB-O 3.29Å; R1341-T1469 WeakPolarHBondContact CD-O 3.48Å
1342	P	94.7	Very high	92.7	Very high	31 Å²	31	40 Å²	40	20%	0.201	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-66.5	155.9	173.5	29.6	-34.6	0	0	0	110.9	F1348	P1342-F1348 HydrophobicContact CB-CE2 4.09Å; P1342-F1348 HydrophobicContact CB-CZ 4.22Å
1343	P	92.8	Very high	92.5	Very high	22 Å²	22	40.2 Å²	40.2	14%	0.143	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-62.6	146.8	173.6	-21.8	34	0	0	0	112.4	P413 T1322 G1345 S1346	P413-P1343 HydrophobicContact CB-CB 3.68Å; P413-P1343 HydrophobicContact CB-CG 3.89Å; P413-P1343 HydrophobicContact CG-CB 3.72Å; P413-P1343 HydrophobicContact CG-CG 3.83Å; T1322-P1343 HydrophobicContact CG2-CB 4.26Å; T1322-P1343 HydrophobicContact CG2-CG 4.4Å; P1343-G1345 PolarHBondContact O-N 3.02Å; P1343-S1346 WeakPolarHBondContact O-CB 3.43Å; P1343-S1346 PolarHBondContact O-N 2.79Å; P1343-S1346 PolarHBondContact O-OG 2.66Å
1344	V	86.7	Confident	92.3	Very high	142 Å²	142	40.4 Å²	40.4	86%	0.861	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	129.8	176	-178.1	0	0	0	0	109.7
1345	G	82.6	Confident	92.3	Very high	60 Å²	60	40.7 Å²	40.7	62%	0.619	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.1	5.9	-177.3	0	0	0	0	0	115.4	P1343 A1347	P1343-G1345 PolarHBondContact O-N 3.02Å; G1345-A1347 PolarHBondContact O-N 2.92Å
1346	S	85.1	Confident	92.4	Very high	27 Å²	27	40.6 Å²	40.6	19%	0.189	24%	0.235	C	C	.	.			trans	-55.5	133.5	168.9	-62.1	0	0	0	0	111.1	P1343	P1343-S1346 WeakPolarHBondContact O-CB 3.43Å; P1343-S1346 PolarHBondContact O-N 2.79Å; P1343-S1346 PolarHBondContact O-OG 2.66Å
1347	A	83.6	Confident	92.4	Very high	77 Å²	77	39.6 Å²	39.6	64%	0.636	22%	0.224	S	C	*	.	S	Bend	trans	-81.6	-20	-174.7	0	0	0	0	0	114.2	G1345	G1345-A1347 PolarHBondContact O-N 2.92Å
1348	F	87.5	Confident	92.3	Very high	35 Å²	35	39.8 Å²	39.8	15%	0.154	23%	0.225	C	C	.	.	S	Bend	trans	-86.6	155	178.4	55.2	-95.6	0	0	0	112.1	V416 K419 P1342 A1353	V416-F1348 HydrophobicContact CB-CE1 4.25Å; V416-F1348 HydrophobicContact CG1-CD1 4.02Å; V416-F1348 HydrophobicContact CG1-CE1 3.9Å; K419-F1348 HydrophobicContact CD-CE1 4.3Å; K419-F1348 HydrophobicContact CD-CZ 4.2Å; K419-F1348 HydrophobicContact CG-CE1 4.36Å; P1342-F1348 HydrophobicContact CB-CE2 4.09Å; P1342-F1348 HydrophobicContact CB-CZ 4.22Å; F1348-A1353 HydrophobicContact CD2-CB 3.35Å; F1348-A1353 HydrophobicContact CE2-CB 3.76Å; F1348-A1353 HydrophobicContact CG-CB 4.09Å
1349	R	89.6	Confident	92.2	Very high	150 Å²	150	39.9 Å²	39.9	57%	0.566	23%	0.226	S	C	*	.			trans	-77.1	135.7	170.9	-70.9	164.3	168.1	-172.8	-3.3	110.4	H1351 E1352 A1353	R1349-H1351 PolarHBondContact O-N 2.82Å; R1349-E1352 HydrophobicContact CB-CB 4.25Å; R1349-E1352 HydrophobicContact CB-CG 4.14Å; R1349-E1352 WeakPolarHBondContact CD-OE1 3.21Å; R1349-E1352 WeakPolarHBondContact CD-OE2 3.26Å; R1349-E1352 IonicContact CZ-OE1 3.15Å; R1349-E1352 IonicContact NE-OE1 3.78Å; R1349-E1352 IonicContact NH1-OE1 3.39Å; R1349-E1352 PolarHBondContact NH1-OE1 3.13Å; R1349-E1352 PolarHBondContact O-N 2.75Å; R1349-A1353 PolarHBondContact O-N 2.82Å
1350	S	90.6	Very high	92.2	Very high	13 Å²	13	39.8 Å²	39.8	9%	0.091	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-51	-179	51	0	0	0	0	112.4	E1352 A1353 A1372 G1373 E1391	S1350-E1352 PolarHBondContact O-N 3.2Å; S1350-A1353 PolarHBondContact O-N 2.97Å; S1350-A1353 VanDerWaalsContact O-N 3.12Å; S1350-A1372 WeakPolarHBondContact CB-O 3.45Å; S1350-G1373 WeakPolarHBondContact O-CA 3.42Å; S1350-E1391 WeakPolarHBondContact CB-OE2 3.35Å; S1350-E1391 PolarHBondContact OG-OE1 3.34Å; S1350-E1391 PolarHBondContact OG-OE2 3.16Å
1351	H	91.1	Very high	92.2	Very high	40 Å²	40	39.8 Å²	39.8	19%	0.185	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-10.3	-176.7	64.4	-87.8	0	0	0	114.9	R1349 R1374 E1391 R1473	R1349-H1351 PolarHBondContact O-N 2.82Å; H1351-R1374 VanDerWaalsContact O-CD 3.25Å; H1351-R1374 WeakPolarHBondContact O-CD 3.24Å; H1351-R1374 VanDerWaalsContact O-CG 3.28Å; H1351-R1374 WeakPolarHBondContact O-CG 3.17Å; H1351-E1391 VanDerWaalsContact CA-OE2 3.31Å; H1351-E1391 WeakPolarHBondContact CA-OE2 3.46Å; H1351-E1391 HydrophobicContact CB-CB 3.77Å; H1351-E1391 WeakPolarHBondContact CB-OE2 3.44Å; H1351-E1391 PolarHBondContact N-OE2 3.42Å; H1351-R1473 HydrophobicContact CB-CB 4.36Å; H1351-R1473 HydrophobicContact CB-CG 4Å
1352	E	90.6	Very high	92.3	Very high	102 Å²	102	35.2 Å²	35.2	48%	0.477	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-31.3	172.9	-67.1	170.6	-170.7	0	0	110.7	R1349 S1350 R1374	R1349-E1352 HydrophobicContact CB-CB 4.25Å; R1349-E1352 HydrophobicContact CB-CG 4.14Å; R1349-E1352 WeakPolarHBondContact CD-OE1 3.21Å; R1349-E1352 WeakPolarHBondContact CD-OE2 3.26Å; R1349-E1352 IonicContact CZ-OE1 3.15Å; R1349-E1352 IonicContact NE-OE1 3.78Å; R1349-E1352 IonicContact NH1-OE1 3.39Å; R1349-E1352 PolarHBondContact NH1-OE1 3.13Å; R1349-E1352 PolarHBondContact O-N 2.75Å; S1350-E1352 PolarHBondContact O-N 3.2Å; E1352-R1374 WeakPolarHBondContact O-CD 3.31Å
1353	A	92.2	Very high	92.4	Very high	5 Å²	5	33.7 Å²	33.7	4%	0.041	20%	0.198	C	C	.	.	S	Bend	trans	-90.9	146.5	-174.9	0	0	0	0	0	114.4	K419 F1348 R1349 S1350 R1374	K419-A1353 HydrophobicContact CB-CB 4.32Å; K419-A1353 WeakPolarHBondContact O-CA 3.43Å; F1348-A1353 HydrophobicContact CD2-CB 3.35Å; F1348-A1353 HydrophobicContact CE2-CB 3.76Å; F1348-A1353 HydrophobicContact CG-CB 4.09Å; R1349-A1353 PolarHBondContact O-N 2.82Å; S1350-A1353 PolarHBondContact O-N 2.97Å; S1350-A1353 VanDerWaalsContact O-N 3.12Å; A1353-R1374 WeakPolarHBondContact O-CB 3.38Å; A1353-R1374 PolarHBondContact O-N 2.93Å
1354	S	93.1	Very high	92.6	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.028	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-85.8	123.2	174.8	-55	0	0	0	0	112.1	R391 K419 R1374	R391-S1354 VanDerWaalsContact CZ-CB 3.46Å; R391-S1354 VanDerWaalsContact NH2-C 3.27Å; R391-S1354 VanDerWaalsContact NH2-CB 3.29Å; R391-S1354 PolarHBondContact NH2-O 2.86Å; R391-S1354 VanDerWaalsContact NH2-O 3.14Å; K419-S1354 PolarHBondContact O-N 2.86Å; S1354-R1374 CarbonylContact C-O 3.55Å; S1354-R1374 WeakPolarHBondContact CA-O 3.28Å
1355	I	96.1	Very high	92.9	Very high	10 Å²	10	26.6 Å²	26.6	5%	0.051	15%	0.154	C	C	.	.			trans	-112.2	-25.9	-174.7	-163.5	167.2	0	0	0	114.3	D1324 A1325 I1340 A1371 A1372 R1374	D1324-I1355 WeakPolarHBondContact CA-O 3.26Å; D1324-I1355 HydrophobicContact CB-CG1 4.21Å; D1324-I1355 WeakPolarHBondContact CB-O 3.4Å; A1325-I1355 PolarHBondContact N-O 3.08Å; I1340-I1355 HydrophobicContact CG2-CD1 3.92Å; I1340-I1355 HydrophobicContact CG2-CG1 3.88Å; I1355-A1371 HydrophobicContact CG2-CB 4.22Å; I1355-A1372 WeakPolarHBondContact CD1-O 3.28Å; I1355-R1374 PolarHBondContact N-O 3.45Å
1356	I	97.5	Very high	93.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-130	156.7	173.2	61.4	-176.3	0	0	0	110.8	R391 A1325 V1329 I1340 C1360 L1369 A1371 R1374 A1375 G1376 F1379	R391-I1356 PolarHBondContact NH1-O 3.45Å; R391-I1356 PolarHBondContact NH2-O 3.13Å; A1325-I1356 HydrophobicContact CB-CG2 4.27Å; A1325-I1356 WeakPolarHBondContact O-CA 3.41Å; V1329-I1356 HydrophobicContact CG2-CB 4.04Å; V1329-I1356 HydrophobicContact CG2-CG2 3.9Å; I1340-I1356 HydrophobicContact CD1-CG2 3.62Å; I1340-I1356 HydrophobicContact CG2-CG2 4.5Å; I1356-C1360 HydrophobicContact CD1-CB 4.3Å; I1356-L1369 HydrophobicContact CD1-CD2 4.36Å; I1356-A1371 HydrophobicContact CD1-CB 3.94Å; I1356-A1371 HydrophobicContact CG2-CB 4.49Å; I1356-R1374 PolarHBondContact N-O 3.11Å; I1356-A1375 HydrophobicContact CD1-CB 3.77Å; I1356-A1375 HydrophobicContact CG1-CB 3.5Å; I1356-G1376 PolarHBondContact O-N 2.99Å; I1356-F1379 HydrophobicContact CD1-CD2 4.31Å; I1356-F1379 HydrophobicContact CD1-CE2 3.81Å
1357	G	95.1	Very high	93.9	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.01	13%	0.13	C	C	.	.			trans	-83.2	-156.9	-179.7	0	0	0	0	0	114.8	A1325 N1326 D1327 C1360 G1376	A1325-G1357 PolarHBondContact O-N 2.82Å; N1326-G1357 WeakPolarHBondContact O-CA 3.37Å; N1326-G1357 PolarHBondContact O-N 3.38Å; D1327-G1357 WeakPolarHBondContact OD1-CA 3.42Å; G1357-C1360 PolarHBondContact O-SG 3.17Å; G1357-G1376 VanDerWaalsContact O-CA 3.25Å; G1357-G1376 WeakPolarHBondContact O-CA 3.41Å; G1357-G1376 PolarHBondContact O-N 3.02Å
1358	N	95.9	Very high	94.6	Very high	17 Å²	17	24.3 Å²	24.3	9%	0.091	12%	0.116	C	C	.	.	S	Bend	trans	-84	162.7	-172.7	-63.4	-0.6	0	0	0	112	D1327 Y1328 C1360 G1376 E1377	D1327-N1358 HydrophobicContact CB-CB 4.49Å; D1327-N1358 WeakPolarHBondContact OD1-CB 3.43Å; D1327-N1358 PolarHBondContact OD1-N 3.02Å; Y1328-N1358 PolarHBondContact N-O 2.96Å; N1358-C1360 PolarHBondContact O-N 3.04Å; N1358-G1376 WeakPolarHBondContact OD1-CA 3.36Å; N1358-E1377 CarbonylContact C-O 3.51Å; N1358-E1377 WeakPolarHBondContact CA-O 3.19Å; N1358-E1377 HydrophobicContact CB-CB 4.43Å; N1358-E1377 PolarHBondContact ND2-OE2 3Å; N1358-E1377 PolarHBondContact OD1-N 2.86Å; N1358-E1377 VanDerWaalsContact OD1-N 3.12Å; N1358-E1377 PolarHBondContact OD1-OE2 3.23Å
1359	T	97.2	Very high	95.1	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.018	11%	0.108	C	C	.	.	S	Bend	trans	54.8	31.3	171.2	-57.4	0	0	0	0	112.8	H1003 Y1328 Y1362 E1377 V1381	H1003-T1359 HydrophobicContact CB-CG2 3.87Å; H1003-T1359 WeakPolarHBondContact O-CG2 3.41Å; H1003-T1359 PolarHBondContact O-OG1 3.09Å; Y1328-T1359 HydrophobicContact CD1-CG2 3.84Å; Y1328-T1359 HydrophobicContact CE1-CG2 4.03Å; T1359-Y1362 HydrophobicContact CG2-CD1 3.76Å; T1359-Y1362 HydrophobicContact CG2-CG 3.77Å; T1359-Y1362 WeakPolarHBondContact O-CB 3.3Å; T1359-E1377 PolarHBondContact N-O 3.15Å; T1359-V1381 HydrophobicContact CG2-CG1 3.92Å
1360	C	98.4	Very high	95.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	146.5	176.2	-64.1	0	0	0	0	110.9	V1329 I1356 G1357 N1358 Y1362 F1379 G1380	V1329-C1360 HydrophobicContact CB-CB 4.31Å; V1329-C1360 CarbonylContact O-C 3.58Å; V1329-C1360 WeakPolarHBondContact O-CA 3.43Å; I1356-C1360 HydrophobicContact CD1-CB 4.3Å; G1357-C1360 PolarHBondContact O-SG 3.17Å; N1358-C1360 PolarHBondContact O-N 3.04Å; C1360-Y1362 PolarHBondContact O-N 3.19Å; C1360-F1379 HydrophobicContact CB-CD2 3.78Å; C1360-F1379 HydrophobicContact CB-CE2 3.94Å; C1360-G1380 PolarHBondContact O-N 3.27Å
1361	L	98.5	Very high	95.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	22	-173.4	-59.5	173.8	0	0	0	115.1	V1329 M1333 G1363 A1364 L1369 F1379 A1386 T1388	V1329-L1361 PolarHBondContact O-N 2.98Å; M1333-L1361 HydrophobicContact SD-CD2 4.18Å; L1361-G1363 PolarHBondContact O-N 2.93Å; L1361-A1364 HydrophobicContact CB-CB 4.12Å; L1361-A1364 HydrophobicContact CD2-CB 4.24Å; L1361-A1364 WeakPolarHBondContact O-CB 3.46Å; L1361-A1364 PolarHBondContact O-N 3.33Å; L1361-L1369 HydrophobicContact CD1-CB 4.27Å; L1361-L1369 HydrophobicContact CD1-CD2 3.85Å; L1361-L1369 HydrophobicContact CD2-CB 4.08Å; L1361-L1369 HydrophobicContact CD2-CD2 3.94Å; L1361-L1369 HydrophobicContact CG-CD2 3.74Å; L1361-F1379 HydrophobicContact CD1-CZ 4.17Å; L1361-A1386 HydrophobicContact CD1-CB 4.24Å; L1361-A1386 HydrophobicContact CD2-CB 4.12Å; L1361-T1388 HydrophobicContact CD1-CG2 3.7Å
1362	Y	98.5	Very high	96.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	113.2	-177.5	176.8	-149.1	0	0	0	112.8	S943 R945 H1003 D1004 G1332 T1359 C1360 A1364 V1381 R1382	S943-Y1362 WeakPolarHBondContact CA-OH 3.26Å; S943-Y1362 PolarHBondContact O-OH 2.91Å; R945-Y1362 HydrophobicContact CG-CD2 4.36Å; R945-Y1362 HydrophobicContact CG-CE1 4.15Å; R945-Y1362 HydrophobicContact CG-CE2 3.91Å; R945-Y1362 PolarHBondContact NH1-OH 3.26Å; H1003-Y1362 HydrophobicContact CB-CE1 4.37Å; D1004-Y1362 HydrophobicContact CB-CD1 3.97Å; D1004-Y1362 HydrophobicContact CB-CE1 4.03Å; D1004-Y1362 WeakPolarHBondContact OD1-CE1 3.47Å; G1332-Y1362 PolarHBondContact N-O 3.2Å; T1359-Y1362 HydrophobicContact CG2-CD1 3.76Å; T1359-Y1362 HydrophobicContact CG2-CG 3.77Å; T1359-Y1362 WeakPolarHBondContact O-CB 3.3Å; C1360-Y1362 PolarHBondContact O-N 3.19Å; Y1362-A1364 VanDerWaalsContact C-N 3.27Å; Y1362-A1364 PolarHBondContact O-N 2.86Å; Y1362-V1381 VanDerWaalsContact CA-O 3.3Å; Y1362-V1381 WeakPolarHBondContact CA-O 3.47Å; Y1362-V1381 HydrophobicContact CD2-CG1 3.78Å; Y1362-V1381 HydrophobicContact CG-CG1 4.09Å; Y1362-R1382 HydrophobicContact CD2-CB 3.98Å; Y1362-R1382 HydrophobicContact CE2-CB 4.01Å; Y1362-R1382 HydrophobicContact CE2-CG 4.33Å
1363	G	96.7	Very high	96.5	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	15.7	-179.5	0	0	0	0	0	114.9	L1361 T1365 V1381 R1382	L1361-G1363 PolarHBondContact O-N 2.93Å; G1363-T1365 PolarHBondContact O-N 3.08Å; G1363-V1381 PolarHBondContact N-O 2.87Å; G1363-R1382 VanDerWaalsContact CA-O 3.29Å; G1363-R1382 WeakPolarHBondContact CA-O 3.26Å
1364	A	97.5	Very high	96.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.057	C	C	.	.			trans	-63.5	130	-179.1	0	0	0	0	0	111.9	M1333 L1361 Y1362 N1383 S1384 G1385 A1386	M1333-A1364 HydrophobicContact CB-CB 4.02Å; M1333-A1364 CarbonylContact O-C 3.4Å; M1333-A1364 VanDerWaalsContact O-CA 3.23Å; M1333-A1364 WeakPolarHBondContact O-CA 3.39Å; M1333-A1364 WeakPolarHBondContact O-CB 3.42Å; L1361-A1364 HydrophobicContact CB-CB 4.12Å; L1361-A1364 HydrophobicContact CD2-CB 4.24Å; L1361-A1364 WeakPolarHBondContact O-CB 3.46Å; L1361-A1364 PolarHBondContact O-N 3.33Å; Y1362-A1364 VanDerWaalsContact C-N 3.27Å; Y1362-A1364 PolarHBondContact O-N 2.86Å; A1364-N1383 PolarHBondContact O-OD1 3.07Å; A1364-S1384 CarbonylContact O-C 3.58Å; A1364-S1384 VanDerWaalsContact O-CA 3.32Å; A1364-S1384 WeakPolarHBondContact O-CA 3.47Å; A1364-S1384 WeakPolarHBondContact O-CB 3.16Å; A1364-S1384 PolarHBondContact O-N 3.45Å; A1364-G1385 PolarHBondContact O-N 3.37Å; A1364-A1386 HydrophobicContact CB-CB 3.82Å
1365	T	94.1	Very high	96.8	Very high	14 Å²	14	11 Å²	11	9%	0.086	6%	0.056	C	C	.	.			trans	-101.5	-5.2	-177.4	61.8	0	0	0	0	113.8	T949 Y989 M1333 A1334 G1363	T949-T1365 HydrophobicContact CG2-CG2 4.41Å; Y989-T1365 HydrophobicContact CD1-CG2 4.13Å; Y989-T1365 HydrophobicContact CD2-CG2 3.55Å; Y989-T1365 HydrophobicContact CE1-CG2 4.32Å; Y989-T1365 HydrophobicContact CE2-CG2 3.77Å; Y989-T1365 HydrophobicContact CG-CG2 3.75Å; M1333-T1365 PolarHBondContact O-N 3.2Å; A1334-T1365 WeakPolarHBondContact CA-OG1 3.42Å; G1363-T1365 PolarHBondContact O-N 3.08Å
1366	G	92.5	Very high	96.7	Very high	11 Å²	11	10.5 Å²	10.5	11%	0.113	5%	0.053	C	C	.	.	S	Bend	trans	-178.2	-169	178.4	0	0	0	0	0	111.8	M1333 A1334 A1386	M1333-G1366 WeakPolarHBondContact CG-O 3.31Å; M1333-G1366 PolarHBondContact O-N 3.43Å; A1334-G1366 WeakPolarHBondContact O-CA 3.45Å; G1366-A1386 WeakPolarHBondContact O-CB 3.43Å
1367	G	95.6	Very high	96.6	Very high	18 Å²	18	10.7 Å²	10.7	19%	0.186	5%	0.054	C	C	.	.			trans	86.6	-179.7	177.3	0	0	0	0	0	114.9	G1336 A1386 I1387	G1336-G1367 WeakPolarHBondContact O-CA 3.24Å; G1367-A1386 WeakPolarHBondContact O-CA 3.49Å; G1367-I1387 PolarHBondContact O-N 3.32Å
1368	R	98.2	Very high	96.6	Very high	87 Å²	87	10.9 Å²	10.9	33%	0.328	5%	0.054	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	130.4	-173.3	-70.1	171.4	168.1	-138.8	-1.4	112.7	M1333 G1336 L1337 I1338 Y1370 I1387 E1464	M1333-R1368 WeakPolarHBondContact CE-O 3.42Å; G1336-R1368 PolarHBondContact O-N 3.35Å; L1337-R1368 CarbonylContact C-O 3.6Å; L1337-R1368 WeakPolarHBondContact CA-O 3.48Å; I1338-R1368 PolarHBondContact N-O 2.93Å; R1368-Y1370 HydrophobicContact CB-CE2 3.79Å; R1368-Y1370 WeakPolarHBondContact CD-OH 3.43Å; R1368-Y1370 HydrophobicContact CG-CE2 4.5Å; R1368-Y1370 PolarHBondContact NH1-OH 2.84Å; R1368-I1387 CarbonylContact C-O 3.58Å; R1368-I1387 VanDerWaalsContact CA-O 3.26Å; R1368-I1387 WeakPolarHBondContact CA-O 3.45Å; R1368-I1387 HydrophobicContact CG-CB 4.38Å; R1368-E1464 IonicContact CZ-OE1 2.85Å; R1368-E1464 IonicContact CZ-OE2 2.77Å; R1368-E1464 IonicContact NH1-OE1 3.78Å; R1368-E1464 PolarHBondContact NH1-OE1 3.48Å; R1368-E1464 IonicContact NH1-OE2 3.11Å; R1368-E1464 PolarHBondContact NH1-OE2 3Å; R1368-E1464 IonicContact NH2-OE1 3.6Å; R1368-E1464 PolarHBondContact NH2-OE1 3.24Å; R1368-E1464 VanDerWaalsContact NH2-OE1 3.15Å; R1368-E1464 IonicContact NH2-OE2 3.28Å
1369	L	98.6	Very high	96.7	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.3	173.4	173	65.5	0	0	0	111.3	V1329 I1338 I1356 L1361 F1379 I1387 T1388 V1389	V1329-L1369 HydrophobicContact CG1-CD1 4.06Å; I1338-L1369 HydrophobicContact CB-CD1 3.78Å; I1338-L1369 HydrophobicContact CG2-CD1 3.64Å; I1338-L1369 CarbonylContact O-C 3.12Å; I1338-L1369 WeakPolarHBondContact O-CA 3.36Å; I1356-L1369 HydrophobicContact CD1-CD2 4.36Å; L1361-L1369 HydrophobicContact CD1-CB 4.27Å; L1361-L1369 HydrophobicContact CD1-CD2 3.85Å; L1361-L1369 HydrophobicContact CD2-CB 4.08Å; L1361-L1369 HydrophobicContact CD2-CD2 3.94Å; L1361-L1369 HydrophobicContact CG-CD2 3.74Å; L1369-F1379 HydrophobicContact CD2-CE2 4.09Å; L1369-F1379 HydrophobicContact CD2-CZ 4.24Å; L1369-I1387 PolarHBondContact N-O 3.04Å; L1369-T1388 WeakPolarHBondContact CB-OG1 3.32Å; L1369-T1388 CarbonylContact O-C 3.43Å; L1369-T1388 WeakPolarHBondContact O-CA 3.22Å; L1369-T1388 PolarHBondContact O-OG1 3.33Å; L1369-V1389 PolarHBondContact O-N 2.91Å
1370	Y	98.7	Very high	96.7	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	115.2	173.7	-53.7	-83.5	0	0	0	109.2	L1337 I1338 A1339 I1340 R1368 V1389 E1464 H1465 H1468	L1337-Y1370 HydrophobicContact CD1-CD2 4.27Å; L1337-Y1370 HydrophobicContact CD1-CE2 3.85Å; L1337-Y1370 HydrophobicContact CG-CD2 4.46Å; L1337-Y1370 HydrophobicContact CG-CE2 4.39Å; I1338-Y1370 PolarHBondContact O-N 3.32Å; A1339-Y1370 CarbonylContact C-O 3.52Å; A1339-Y1370 WeakPolarHBondContact CA-O 3.23Å; I1340-Y1370 PolarHBondContact N-O 2.95Å; R1368-Y1370 HydrophobicContact CB-CE2 3.79Å; R1368-Y1370 WeakPolarHBondContact CD-OH 3.43Å; R1368-Y1370 HydrophobicContact CG-CE2 4.5Å; R1368-Y1370 PolarHBondContact NH1-OH 2.84Å; Y1370-V1389 WeakPolarHBondContact CA-O 3.3Å; Y1370-V1389 HydrophobicContact CD1-CB 4.06Å; Y1370-V1389 HydrophobicContact CD1-CG2 3.88Å; Y1370-V1389 HydrophobicContact CE1-CG2 3.99Å; Y1370-E1464 HydrophobicContact CE1-CB 3.86Å; Y1370-E1464 PolarHBondContact OH-OE2 3.47Å; Y1370-H1465 HydrophobicContact CD1-CB 3.87Å; Y1370-H1468 HydrophobicContact CD2-CB 3.99Å; Y1370-H1468 AromaticContact CD2-CD2 3.76Å; Y1370-H1468 AromaticContact CE2-CD2 3.46Å; Y1370-H1468 VanDerWaalsContact CE2-CD2 3.46Å; Y1370-H1468 WeakPolarHBondContact CE2-CD2 3.32Å; Y1370-H1468 HydrophobicContact CG-CB 4.26Å; Y1370-H1468 AromaticContact CZ-CD2 3.93Å
1371	A	98.3	Very high	96.7	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	109	-176.5	0	0	0	0	0	111	I1340 I1355 I1356 G1373 V1389 V1390	I1340-A1371 WeakPolarHBondContact O-CA 3.36Å; I1355-A1371 HydrophobicContact CG2-CB 4.22Å; I1356-A1371 HydrophobicContact CD1-CB 3.94Å; I1356-A1371 HydrophobicContact CG2-CB 4.49Å; A1371-G1373 PolarHBondContact O-N 3.1Å; A1371-V1389 PolarHBondContact N-O 3.01Å; A1371-V1390 HydrophobicContact CB-CG2 4.34Å
1372	A	97.3	Very high	96.6	Very high	3 Å²	3	10.2 Å²	10.2	3%	0.025	5%	0.05	C	C	.	.	S	Bend	trans	-78.7	70.8	-179	0	0	0	0	0	111.6	I1340 R1341 S1350 I1355 E1391 T1469	I1340-A1372 PolarHBondContact O-N 3.31Å; R1341-A1372 HydrophobicContact CB-CB 4.41Å; S1350-A1372 WeakPolarHBondContact CB-O 3.45Å; I1355-A1372 WeakPolarHBondContact CD1-O 3.28Å; A1372-E1391 WeakPolarHBondContact CA-OE1 3.37Å; A1372-E1391 WeakPolarHBondContact CB-OE1 3.29Å; A1372-T1469 HydrophobicContact CB-CG2 4.24Å
1373	G	95.9	Very high	96.6	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.01	5%	0.05	C	C	.	.	S	Bend	trans	161.7	-171.4	176.6	0	0	0	0	0	111.9	S1350 A1371 V1390 E1391	S1350-G1373 WeakPolarHBondContact O-CA 3.42Å; A1371-G1373 PolarHBondContact O-N 3.1Å; G1373-V1390 WeakPolarHBondContact O-CG2 3.41Å; G1373-E1391 PolarHBondContact O-N 3.35Å
1374	R	96.6	Very high	96.4	Very high	66 Å²	66	10.7 Å²	10.7	25%	0.249	5%	0.054	C	C	.	.	B	Isolated β-bridge	trans	-84.9	146.1	-176	-55.6	178.8	66.7	-170.9	0.6	113.3	H1351 E1352 A1353 S1354 I1355 I1356 G1392	H1351-R1374 VanDerWaalsContact O-CD 3.25Å; H1351-R1374 WeakPolarHBondContact O-CD 3.24Å; H1351-R1374 VanDerWaalsContact O-CG 3.28Å; H1351-R1374 WeakPolarHBondContact O-CG 3.17Å; E1352-R1374 WeakPolarHBondContact O-CD 3.31Å; A1353-R1374 WeakPolarHBondContact O-CB 3.38Å; A1353-R1374 PolarHBondContact O-N 2.93Å; S1354-R1374 CarbonylContact C-O 3.55Å; S1354-R1374 WeakPolarHBondContact CA-O 3.28Å; I1355-R1374 PolarHBondContact N-O 3.45Å; I1356-R1374 PolarHBondContact N-O 3.11Å; R1374-G1392 CarbonylContact C-O 3.48Å; R1374-G1392 VanDerWaalsContact CA-O 3.25Å; R1374-G1392 WeakPolarHBondContact CA-O 3.48Å
1375	A	96.5	Very high	96.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.065	C	C	.	.			trans	-98	172.3	172.2	0	0	0	0	0	113.9	I1356 F1379 V1390 G1392 I1393	I1356-A1375 HydrophobicContact CD1-CB 3.77Å; I1356-A1375 HydrophobicContact CG1-CB 3.5Å; A1375-F1379 HydrophobicContact CB-CB 4.28Å; A1375-F1379 HydrophobicContact CB-CD2 3.4Å; A1375-F1379 HydrophobicContact CB-CE2 4Å; A1375-F1379 HydrophobicContact CB-CG 4.01Å; A1375-V1390 HydrophobicContact CB-CG2 3.98Å; A1375-G1392 PolarHBondContact N-O 3.4Å; A1375-I1393 HydrophobicContact CB-CG2 4.16Å
1376	G	93.6	Very high	96.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.061	C	C	.	.			trans	-72.9	-170.9	173	0	0	0	0	0	116.4	R421 I1356 G1357 N1358 G1394	R421-G1376 VanDerWaalsContact NH1-CA 3.27Å; I1356-G1376 PolarHBondContact O-N 2.99Å; G1357-G1376 VanDerWaalsContact O-CA 3.25Å; G1357-G1376 WeakPolarHBondContact O-CA 3.41Å; G1357-G1376 PolarHBondContact O-N 3.02Å; N1358-G1376 WeakPolarHBondContact OD1-CA 3.36Å; G1376-G1394 PolarHBondContact O-N 3.37Å
1377	E	94.5	Very high	96.4	Very high	4 Å²	4	12.6 Å²	12.6	2%	0.019	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	153.4	166.5	-77.7	52.9	-124.6	0	0	111	R421 P424 N1358 T1359 F1379	R421-E1377 IonicContact CZ-OE1 2.97Å; R421-E1377 IonicContact CZ-OE2 2.68Å; R421-E1377 IonicContact NH1-OE1 2.68Å; R421-E1377 PolarHBondContact NH1-OE1 3.33Å; R421-E1377 IonicContact NH1-OE2 3.73Å; R421-E1377 PolarHBondContact NH1-OE2 2.7Å; R421-E1377 IonicContact NH2-OE1 2.64Å; R421-E1377 PolarHBondContact NH2-OE1 3.33Å; P424-E1377 WeakPolarHBondContact CD-OE1 3.25Å; P424-E1377 HydrophobicContact CG-CG 4.02Å; N1358-E1377 CarbonylContact C-O 3.51Å; N1358-E1377 WeakPolarHBondContact CA-O 3.19Å; N1358-E1377 HydrophobicContact CB-CB 4.43Å; N1358-E1377 PolarHBondContact ND2-OE2 3Å; N1358-E1377 PolarHBondContact OD1-N 2.86Å; N1358-E1377 VanDerWaalsContact OD1-N 3.12Å; N1358-E1377 PolarHBondContact OD1-OE2 3.23Å; T1359-E1377 PolarHBondContact N-O 3.15Å; E1377-F1379 PolarHBondContact O-N 2.81Å; E1377-F1379 VanDerWaalsContact O-N 3.16Å
1378	R	96.5	Very high	96.5	Very high	4 Å²	4	11.8 Å²	11.8	2%	0.015	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	34.6	171.4	-66.3	176.2	-177.3	88.7	-7.9	112.9	N385 E554 H1003 Y1006 G1380 V1381 D1395 N1396 E1399	N385-R1378 PolarHBondContact O-NH1 3.42Å; E554-R1378 IonicContact OE1-CZ 3.86Å; E554-R1378 IonicContact OE1-NE 3.91Å; E554-R1378 PolarHBondContact OE1-NE 2.92Å; E554-R1378 IonicContact OE1-NH2 2.74Å; E554-R1378 PolarHBondContact OE1-NH2 2.92Å; E554-R1378 IonicContact OE2-NH2 3.69Å; H1003-R1378 WeakPolarHBondContact ND1-CD 3.4Å; Y1006-R1378 WeakPolarHBondContact OH-CD 3.48Å; Y1006-R1378 PolarHBondContact OH-NE 2.83Å; Y1006-R1378 VanDerWaalsContact OH-NE 3.16Å; R1378-G1380 PolarHBondContact O-N 2.96Å; R1378-V1381 HydrophobicContact CB-CB 4.05Å; R1378-V1381 HydrophobicContact CB-CG1 4.1Å; R1378-V1381 VanDerWaalsContact O-CB 3.28Å; R1378-V1381 WeakPolarHBondContact O-CB 3.47Å; R1378-V1381 WeakPolarHBondContact O-CG1 3.44Å; R1378-V1381 PolarHBondContact O-N 2.68Å; R1378-V1381 VanDerWaalsContact O-N 3.16Å; R1378-D1395 PolarHBondContact N-O 2.91Å; R1378-N1396 WeakPolarHBondContact CA-O 3.34Å; R1378-N1396 HydrophobicContact CG-CB 3.64Å; R1378-E1399 IonicContact NE-OE2 3.24Å
1379	F	98	Very high	96.5	Very high	2 Å²	2	7.6 Å²	7.6	1%	0.009	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	127.3	175.2	-177.7	-94	0	0	0	110.8	I1356 C1360 L1361 L1369 A1375 E1377 V1381 T1388 V1390 I1393 C1398 V1406	I1356-F1379 HydrophobicContact CD1-CD2 4.31Å; I1356-F1379 HydrophobicContact CD1-CE2 3.81Å; C1360-F1379 HydrophobicContact CB-CD2 3.78Å; C1360-F1379 HydrophobicContact CB-CE2 3.94Å; L1361-F1379 HydrophobicContact CD1-CZ 4.17Å; L1369-F1379 HydrophobicContact CD2-CE2 4.09Å; L1369-F1379 HydrophobicContact CD2-CZ 4.24Å; A1375-F1379 HydrophobicContact CB-CB 4.28Å; A1375-F1379 HydrophobicContact CB-CD2 3.4Å; A1375-F1379 HydrophobicContact CB-CE2 4Å; A1375-F1379 HydrophobicContact CB-CG 4.01Å; E1377-F1379 PolarHBondContact O-N 2.81Å; E1377-F1379 VanDerWaalsContact O-N 3.16Å; F1379-V1381 VanDerWaalsContact C-N 3.26Å; F1379-V1381 PolarHBondContact O-N 3.02Å; F1379-T1388 HydrophobicContact CE1-CG2 3.71Å; F1379-T1388 HydrophobicContact CZ-CG2 3.82Å; F1379-V1390 HydrophobicContact CD1-CG1 4.36Å; F1379-V1390 HydrophobicContact CE1-CB 4.5Å; F1379-V1390 HydrophobicContact CE1-CG1 3.82Å; F1379-V1390 HydrophobicContact CZ-CB 4.16Å; F1379-V1390 HydrophobicContact CZ-CG1 3.97Å; F1379-I1393 HydrophobicContact CB-CB 4.1Å; F1379-I1393 HydrophobicContact CB-CD1 4.45Å; F1379-I1393 HydrophobicContact CB-CG2 3.88Å; F1379-I1393 HydrophobicContact CD1-CG2 3.72Å; F1379-I1393 HydrophobicContact CE1-CG2 4.42Å; F1379-I1393 HydrophobicContact CG-CG2 3.76Å; F1379-C1398 PolarHBondContact O-N 3.23Å; F1379-V1406 HydrophobicContact CD1-CG1 4.35Å; F1379-V1406 HydrophobicContact CE1-CG1 3.98Å
1380	G	97.1	Very high	96.5	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	16.8	-176.5	0	0	0	0	0	113.8	C1360 R1378 R1382 N1383	C1360-G1380 PolarHBondContact O-N 3.27Å; R1378-G1380 PolarHBondContact O-N 2.96Å; G1380-R1382 PolarHBondContact O-N 3.32Å; G1380-N1383 VanDerWaalsContact O-CB 3.24Å; G1380-N1383 WeakPolarHBondContact O-CB 3.34Å; G1380-N1383 PolarHBondContact O-N 3.28Å
1381	V	97.6	Very high	96.5	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	129.8	178.4	62.1	0	0	0	0	110.8	H1003 T1359 Y1362 G1363 R1378 F1379 N1383 E1399	H1003-V1381 HydrophobicContact CB-CG1 4.41Å; T1359-V1381 HydrophobicContact CG2-CG1 3.92Å; Y1362-V1381 VanDerWaalsContact CA-O 3.3Å; Y1362-V1381 WeakPolarHBondContact CA-O 3.47Å; Y1362-V1381 HydrophobicContact CD2-CG1 3.78Å; Y1362-V1381 HydrophobicContact CG-CG1 4.09Å; G1363-V1381 PolarHBondContact N-O 2.87Å; R1378-V1381 HydrophobicContact CB-CB 4.05Å; R1378-V1381 HydrophobicContact CB-CG1 4.1Å; R1378-V1381 VanDerWaalsContact O-CB 3.28Å; R1378-V1381 WeakPolarHBondContact O-CB 3.47Å; R1378-V1381 WeakPolarHBondContact O-CG1 3.44Å; R1378-V1381 PolarHBondContact O-N 2.68Å; R1378-V1381 VanDerWaalsContact O-N 3.16Å; F1379-V1381 VanDerWaalsContact C-N 3.26Å; F1379-V1381 PolarHBondContact O-N 3.02Å; V1381-N1383 PolarHBondContact O-N 3.45Å; V1381-N1383 VanDerWaalsContact O-N 3.11Å; V1381-E1399 CarbonylContact C-O 3.58Å; V1381-E1399 VanDerWaalsContact CA-O 3.23Å; V1381-E1399 WeakPolarHBondContact CA-O 3.47Å; V1381-E1399 HydrophobicContact CG2-CB 4.19Å
1382	R	96.8	Very high	96.4	Very high	4 Å²	4	7.6 Å²	7.6	2%	0.015	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	26.5	-174.6	-92.1	-61	-46.5	110.2	8.5	113.9	G944 P999 Y1362 G1363 G1380 S1384 E1399 Y1400 T1402	G944-R1382 PolarHBondContact O-NE 2.89Å; P999-R1382 HydrophobicContact CG-CG 4.49Å; Y1362-R1382 HydrophobicContact CD2-CB 3.98Å; Y1362-R1382 HydrophobicContact CE2-CB 4.01Å; Y1362-R1382 HydrophobicContact CE2-CG 4.33Å; G1363-R1382 VanDerWaalsContact CA-O 3.29Å; G1363-R1382 WeakPolarHBondContact CA-O 3.26Å; G1380-R1382 PolarHBondContact O-N 3.32Å; R1382-S1384 PolarHBondContact NH2-OG 3.41Å; R1382-S1384 PolarHBondContact O-N 3.49Å; R1382-E1399 PolarHBondContact N-O 2.88Å; R1382-Y1400 WeakPolarHBondContact CD-O 3.38Å; R1382-Y1400 PolarHBondContact NH1-O 2.94Å; R1382-T1402 VanDerWaalsContact NH1-CG2 3.28Å; R1382-T1402 PolarHBondContact NH1-OG1 3.02Å
1383	N	97.3	Very high	96.4	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.041	C	C	.	.			trans	-59.8	134.4	171.2	-176	14	0	0	0	110	A1364 G1380 V1381 G1385 A1386 M1401 T1402 G1403	A1364-N1383 PolarHBondContact O-OD1 3.07Å; G1380-N1383 VanDerWaalsContact O-CB 3.24Å; G1380-N1383 WeakPolarHBondContact O-CB 3.34Å; G1380-N1383 PolarHBondContact O-N 3.28Å; V1381-N1383 PolarHBondContact O-N 3.45Å; V1381-N1383 VanDerWaalsContact O-N 3.11Å; N1383-G1385 PolarHBondContact OD1-N 3.33Å; N1383-G1385 VanDerWaalsContact OD1-N 3.11Å; N1383-A1386 PolarHBondContact ND2-O 3.13Å; N1383-A1386 WeakPolarHBondContact OD1-CB 3.27Å; N1383-A1386 PolarHBondContact OD1-N 3.38Å; N1383-M1401 HydrophobicContact CB-CG 4.08Å; N1383-M1401 HydrophobicContact CB-SD 4.36Å; N1383-M1401 CarbonylContact O-C 2.78Å; N1383-M1401 WeakPolarHBondContact O-CA 3.35Å; N1383-T1402 PolarHBondContact O-N 3.43Å; N1383-G1403 CarbonylContact C-O 3.57Å; N1383-G1403 PolarHBondContact O-N 3.38Å
1384	S	94.1	Very high	96.2	Very high	10 Å²	10	7.5 Å²	7.5	7%	0.07	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	-5	-172.6	-111.5	0	0	0	0	113.3	Y989 A1364 R1382 T1402 G1403	Y989-S1384 VanDerWaalsContact CB-OG 3.22Å; Y989-S1384 WeakPolarHBondContact CB-OG 3.21Å; Y989-S1384 PolarHBondContact O-OG 3.25Å; A1364-S1384 CarbonylContact O-C 3.58Å; A1364-S1384 VanDerWaalsContact O-CA 3.32Å; A1364-S1384 WeakPolarHBondContact O-CA 3.47Å; A1364-S1384 WeakPolarHBondContact O-CB 3.16Å; A1364-S1384 PolarHBondContact O-N 3.45Å; R1382-S1384 PolarHBondContact NH2-OG 3.41Å; R1382-S1384 PolarHBondContact O-N 3.49Å; S1384-T1402 PolarHBondContact OG-OG1 2.62Å; S1384-G1403 VanDerWaalsContact C-C 3.47Å; S1384-G1403 CarbonylContact C-O 3.53Å; S1384-G1403 PolarHBondContact N-O 3.23Å
1385	G	90.3	Very high	96.1	Very high	24 Å²	24	5.8 Å²	5.8	25%	0.247	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.6	-8.3	-176.3	0	0	0	0	0	116.5	A1364 N1383 G1403	A1364-G1385 PolarHBondContact O-N 3.37Å; N1383-G1385 PolarHBondContact OD1-N 3.33Å; N1383-G1385 VanDerWaalsContact OD1-N 3.11Å; G1385-G1403 PolarHBondContact N-O 3.04Å
1386	A	95.6	Very high	96	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	141	178	0	0	0	0	0	111.8	L1361 A1364 G1366 G1367 N1383 G1404 I1405	L1361-A1386 HydrophobicContact CD1-CB 4.24Å; L1361-A1386 HydrophobicContact CD2-CB 4.12Å; A1364-A1386 HydrophobicContact CB-CB 3.82Å; G1366-A1386 WeakPolarHBondContact O-CB 3.43Å; G1367-A1386 WeakPolarHBondContact O-CA 3.49Å; N1383-A1386 PolarHBondContact ND2-O 3.13Å; N1383-A1386 WeakPolarHBondContact OD1-CB 3.27Å; N1383-A1386 PolarHBondContact OD1-N 3.38Å; A1386-G1404 VanDerWaalsContact O-CA 3.3Å; A1386-G1404 WeakPolarHBondContact O-CA 3.15Å; A1386-I1405 PolarHBondContact O-N 3.49Å
1387	I	97.4	Very high	96.1	Very high	42 Å²	42	6.1 Å²	6.1	22%	0.215	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130.5	171.7	-61.1	176.2	0	0	0	107.6	G1367 R1368 L1369 I1405 L1461	G1367-I1387 PolarHBondContact O-N 3.32Å; R1368-I1387 CarbonylContact C-O 3.58Å; R1368-I1387 VanDerWaalsContact CA-O 3.26Å; R1368-I1387 WeakPolarHBondContact CA-O 3.45Å; R1368-I1387 HydrophobicContact CG-CB 4.38Å; L1369-I1387 PolarHBondContact N-O 3.04Å; I1387-I1405 CarbonylContact C-O 3.4Å; I1387-I1405 WeakPolarHBondContact CA-O 3.48Å; I1387-I1405 HydrophobicContact CD1-CD1 4.21Å; I1387-I1405 HydrophobicContact CG1-CB 4.3Å; I1387-I1405 HydrophobicContact CG1-CD1 4.18Å; I1387-I1405 HydrophobicContact CG1-CG1 4.37Å; I1387-I1405 HydrophobicContact CG2-CB 4.38Å; I1387-L1461 HydrophobicContact CG2-CD2 3.6Å
1388	T	98.3	Very high	96.3	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	147.3	-176	-171.6	0	0	0	0	114.3	L1361 L1369 F1379 I1405 V1406 C1407	L1361-T1388 HydrophobicContact CD1-CG2 3.7Å; L1369-T1388 WeakPolarHBondContact CB-OG1 3.32Å; L1369-T1388 CarbonylContact O-C 3.43Å; L1369-T1388 WeakPolarHBondContact O-CA 3.22Å; L1369-T1388 PolarHBondContact O-OG1 3.33Å; F1379-T1388 HydrophobicContact CE1-CG2 3.71Å; F1379-T1388 HydrophobicContact CZ-CG2 3.82Å; T1388-I1405 PolarHBondContact N-O 3Å; T1388-V1406 HydrophobicContact CG2-CB 4.09Å; T1388-V1406 HydrophobicContact CG2-CG1 4.05Å; T1388-V1406 HydrophobicContact CG2-CG2 3.75Å; T1388-C1407 PolarHBondContact O-N 3.43Å
1389	V	98.5	Very high	96.3	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128.2	170.3	-168.5	0	0	0	0	109.9	L1369 Y1370 A1371 C1407 L1409 L1461 H1465	L1369-V1389 PolarHBondContact O-N 2.91Å; Y1370-V1389 WeakPolarHBondContact CA-O 3.3Å; Y1370-V1389 HydrophobicContact CD1-CB 4.06Å; Y1370-V1389 HydrophobicContact CD1-CG2 3.88Å; Y1370-V1389 HydrophobicContact CE1-CG2 3.99Å; A1371-V1389 PolarHBondContact N-O 3.01Å; V1389-C1407 WeakPolarHBondContact CA-O 3.42Å; V1389-C1407 HydrophobicContact CB-CB 4.34Å; V1389-C1407 HydrophobicContact CG1-CB 4.13Å; V1389-C1407 HydrophobicContact CG2-CB 4.02Å; V1389-L1409 HydrophobicContact CG1-CD1 3.84Å; V1389-L1409 HydrophobicContact CG1-CD2 4.39Å; V1389-L1409 HydrophobicContact CG1-CG 4Å; V1389-L1461 HydrophobicContact CG2-CB 4.21Å; V1389-H1465 HydrophobicContact CB-CB 3.8Å; V1389-H1465 HydrophobicContact CG1-CB 3.72Å; V1389-H1465 HydrophobicContact CG2-CB 4.03Å
1390	V	98.2	Very high	96.1	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	154.9	-176.6	66.4	0	0	0	0	110.1	A1371 G1373 A1375 F1379 G1392 I1393 C1407 I1408 L1409	A1371-V1390 HydrophobicContact CB-CG2 4.34Å; G1373-V1390 WeakPolarHBondContact O-CG2 3.41Å; A1375-V1390 HydrophobicContact CB-CG2 3.98Å; F1379-V1390 HydrophobicContact CD1-CG1 4.36Å; F1379-V1390 HydrophobicContact CE1-CB 4.5Å; F1379-V1390 HydrophobicContact CE1-CG1 3.82Å; F1379-V1390 HydrophobicContact CZ-CB 4.16Å; F1379-V1390 HydrophobicContact CZ-CG1 3.97Å; V1390-G1392 PolarHBondContact O-N 3.11Å; V1390-I1393 HydrophobicContact CG1-CG2 3.62Å; V1390-I1393 HydrophobicContact CG2-CG2 4.5Å; V1390-C1407 PolarHBondContact N-O 3.07Å; V1390-I1408 HydrophobicContact CG1-CG1 4.12Å; V1390-I1408 HydrophobicContact CG1-CG2 4.37Å; V1390-I1408 CarbonylContact O-C 3.45Å; V1390-I1408 VanDerWaalsContact O-CA 3.31Å; V1390-I1408 WeakPolarHBondContact O-CA 3.48Å; V1390-L1409 PolarHBondContact O-N 3.01Å
1391	E	97.6	Very high	96.1	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.039	C	C	.	.	S	Bend	trans	-95.1	14.1	-173.3	-55.1	-175.5	-165.2	0	0	114.5	S1350 H1351 A1372 G1373 L1409 H1465 S1471 R1473	S1350-E1391 WeakPolarHBondContact CB-OE2 3.35Å; S1350-E1391 PolarHBondContact OG-OE1 3.34Å; S1350-E1391 PolarHBondContact OG-OE2 3.16Å; H1351-E1391 VanDerWaalsContact CA-OE2 3.31Å; H1351-E1391 WeakPolarHBondContact CA-OE2 3.46Å; H1351-E1391 HydrophobicContact CB-CB 3.77Å; H1351-E1391 WeakPolarHBondContact CB-OE2 3.44Å; H1351-E1391 PolarHBondContact N-OE2 3.42Å; A1372-E1391 WeakPolarHBondContact CA-OE1 3.37Å; A1372-E1391 WeakPolarHBondContact CB-OE1 3.29Å; G1373-E1391 PolarHBondContact O-N 3.35Å; E1391-L1409 HydrophobicContact CG-CB 4.48Å; E1391-H1465 IonicContact OE1-NE2 3.47Å; E1391-S1471 VanDerWaalsContact OE1-CB 3.31Å; E1391-S1471 WeakPolarHBondContact OE1-CB 3.35Å; E1391-S1471 PolarHBondContact OE1-OG 3.47Å; E1391-R1473 WeakPolarHBondContact OE2-CB 3.38Å
1392	G	96.7	Very high	95.7	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.042	C	C	.	.			trans	149.7	158.6	177.3	0	0	0	0	0	111.2	R1374 A1375 V1390 K1411	R1374-G1392 CarbonylContact C-O 3.48Å; R1374-G1392 VanDerWaalsContact CA-O 3.25Å; R1374-G1392 WeakPolarHBondContact CA-O 3.48Å; A1375-G1392 PolarHBondContact N-O 3.4Å; V1390-G1392 PolarHBondContact O-N 3.11Å; G1392-K1411 CarbonylContact C-O 3.52Å; G1392-K1411 WeakPolarHBondContact CA-O 3.29Å
1393	I	96.7	Very high	95.3	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.005	5%	0.047	C	C	.	.			trans	-142.1	168.1	-176.3	67.6	167	0	0	0	112.4	A1375 F1379 V1390 I1408 K1411 T1412 G1413 F1416	A1375-I1393 HydrophobicContact CB-CG2 4.16Å; F1379-I1393 HydrophobicContact CB-CB 4.1Å; F1379-I1393 HydrophobicContact CB-CD1 4.45Å; F1379-I1393 HydrophobicContact CB-CG2 3.88Å; F1379-I1393 HydrophobicContact CD1-CG2 3.72Å; F1379-I1393 HydrophobicContact CE1-CG2 4.42Å; F1379-I1393 HydrophobicContact CG-CG2 3.76Å; V1390-I1393 HydrophobicContact CG1-CG2 3.62Å; V1390-I1393 HydrophobicContact CG2-CG2 4.5Å; I1393-I1408 HydrophobicContact CD1-CD1 3.54Å; I1393-I1408 HydrophobicContact CG1-CD1 3.94Å; I1393-I1408 HydrophobicContact CG2-CD1 4.2Å; I1393-I1408 HydrophobicContact CG2-CG2 4.36Å; I1393-K1411 PolarHBondContact N-O 3.16Å; I1393-T1412 HydrophobicContact CD1-CG2 4.26Å; I1393-T1412 HydrophobicContact CG1-CG2 3.98Å; I1393-G1413 PolarHBondContact O-N 3.09Å; I1393-F1416 HydrophobicContact CD1-CD2 4.03Å; I1393-F1416 HydrophobicContact CD1-CE2 3.89Å
1394	G	93.2	Very high	95	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.01	5%	0.054	C	C	.	.			trans	-84.3	-159.4	171.4	0	0	0	0	0	114.6	R421 G1376 G1413	R421-G1394 VanDerWaalsContact NH2-CA 3.33Å; G1376-G1394 PolarHBondContact O-N 3.37Å; G1394-G1413 WeakPolarHBondContact O-CA 3.35Å; G1394-G1413 PolarHBondContact O-N 2.86Å
1395	D	93	Very high	95	Very high	30 Å²	30	8.4 Å²	8.4	16%	0.16	6%	0.057	C	C	.	.	S	Bend	trans	-71.5	159.5	178.6	-67.8	-16.2	0	0	0	112.4	P424 R1378 G1397 G1413 V1414	P424-D1395 HydrophobicContact CG-CB 4.37Å; P424-D1395 WeakPolarHBondContact CG-OD2 3.43Å; R1378-D1395 PolarHBondContact N-O 2.91Å; D1395-G1397 VanDerWaalsContact C-N 3.29Å; D1395-G1397 PolarHBondContact O-N 3.24Å; D1395-G1413 WeakPolarHBondContact OD1-CA 3.49Å; D1395-V1414 HydrophobicContact CB-CG2 4.34Å; D1395-V1414 PolarHBondContact OD1-N 3.21Å
1396	N	94.7	Very high	95.4	Very high	6 Å²	6	7.3 Å²	7.3	3%	0.032	5%	0.045	C	C	.	.	S	Bend	trans	58.1	37.3	180	-53.7	-61.7	0	0	0	113	R1378 E1399 V1414 N1415	R1378-N1396 WeakPolarHBondContact CA-O 3.34Å; R1378-N1396 HydrophobicContact CG-CB 3.64Å; N1396-E1399 HydrophobicContact CB-CB 4.37Å; N1396-E1399 WeakPolarHBondContact O-CB 3.49Å; N1396-E1399 PolarHBondContact O-N 2.87Å; N1396-V1414 PolarHBondContact N-O 3.03Å; N1396-N1415 WeakPolarHBondContact OD1-CB 3.21Å; N1396-N1415 PolarHBondContact OD1-ND2 2.82Å
1397	G	96.4	Very high	95.5	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.01	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	137.5	174.8	0	0	0	0	0	112.9	D1395 E1399 F1416 G1417	D1395-G1397 VanDerWaalsContact C-N 3.29Å; D1395-G1397 PolarHBondContact O-N 3.24Å; G1397-E1399 PolarHBondContact O-N 2.96Å; G1397-E1399 VanDerWaalsContact O-N 3.16Å; G1397-F1416 WeakPolarHBondContact O-CA 3.42Å; G1397-G1417 PolarHBondContact O-N 2.9Å
1398	C	97.5	Very high	95.5	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	22.8	-178	-56.8	0	0	0	0	114.6	F1379 Y1400 M1401 F1416 M1420	F1379-C1398 PolarHBondContact O-N 3.23Å; C1398-Y1400 PolarHBondContact O-N 2.82Å; C1398-M1401 HydrophobicContact CB-CB 4.28Å; C1398-M1401 HydrophobicContact CB-SD 3.91Å; C1398-M1401 VanDerWaalsContact O-CB 3.24Å; C1398-M1401 WeakPolarHBondContact O-CB 3.42Å; C1398-M1401 PolarHBondContact O-N 3.12Å; C1398-F1416 HydrophobicContact CB-CE1 4.45Å; C1398-F1416 HydrophobicContact CB-CE2 4.34Å; C1398-F1416 HydrophobicContact CB-CZ 4.07Å; C1398-F1416 VanDerWaalsContact SG-CZ 3.54Å; C1398-M1420 HydrophobicContact CB-SD 4.08Å
1399	E	96.6	Very high	95.5	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	136.5	178.6	-161.2	-167.4	176.1	0	0	110.7	H1003 R1378 V1381 R1382 N1396 G1397 M1401 A1418	H1003-E1399 IonicContact CE1-OE2 2.78Å; R1378-E1399 IonicContact NE-OE2 3.24Å; V1381-E1399 CarbonylContact C-O 3.58Å; V1381-E1399 VanDerWaalsContact CA-O 3.23Å; V1381-E1399 WeakPolarHBondContact CA-O 3.47Å; V1381-E1399 HydrophobicContact CG2-CB 4.19Å; R1382-E1399 PolarHBondContact N-O 2.88Å; N1396-E1399 HydrophobicContact CB-CB 4.37Å; N1396-E1399 WeakPolarHBondContact O-CB 3.49Å; N1396-E1399 PolarHBondContact O-N 2.87Å; G1397-E1399 PolarHBondContact O-N 2.96Å; G1397-E1399 VanDerWaalsContact O-N 3.16Å; E1399-M1401 PolarHBondContact O-N 3.37Å; E1399-A1418 CarbonylContact C-O 3.57Å; E1399-A1418 VanDerWaalsContact CA-O 3.25Å; E1399-A1418 WeakPolarHBondContact CA-O 3.44Å; E1399-A1418 HydrophobicContact CG-CB 4.26Å; E1399-A1418 VanDerWaalsContact CG-O 3.3Å; E1399-A1418 WeakPolarHBondContact CG-O 3.46Å
1400	Y	95.6	Very high	95.3	Very high	11 Å²	11	5.5 Å²	5.5	4%	0.043	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	16.3	-179.5	-74.4	-79.3	0	0	0	116.6	D550 R553 I997 P999 R1382 C1398 T1402 A1418	D550-Y1400 VanDerWaalsContact CG-OH 3.25Å; D550-Y1400 PolarHBondContact OD2-OH 2.95Å; R553-Y1400 HydrophobicContact CB-CE2 4.18Å; R553-Y1400 HydrophobicContact CG-CE1 4.27Å; R553-Y1400 HydrophobicContact CG-CE2 3.64Å; R553-Y1400 VanDerWaalsContact CG-CZ 3.45Å; R553-Y1400 WeakPolarHBondContact CG-OH 3.06Å; I997-Y1400 VanDerWaalsContact O-CE1 3.27Å; I997-Y1400 WeakPolarHBondContact O-CE1 3.47Å; P999-Y1400 HydrophobicContact CB-CD2 4.46Å; P999-Y1400 HydrophobicContact CB-CE2 4.11Å; P999-Y1400 HydrophobicContact CG-CD1 4.43Å; P999-Y1400 HydrophobicContact CG-CD2 3.72Å; P999-Y1400 HydrophobicContact CG-CE1 4.45Å; P999-Y1400 HydrophobicContact CG-CE2 3.8Å; P999-Y1400 HydrophobicContact CG-CG 4.07Å; R1382-Y1400 WeakPolarHBondContact CD-O 3.38Å; R1382-Y1400 PolarHBondContact NH1-O 2.94Å; C1398-Y1400 PolarHBondContact O-N 2.82Å; Y1400-T1402 PolarHBondContact O-N 3.02Å; Y1400-A1418 PolarHBondContact N-O 3.11Å
1401	M	95.7	Very high	95	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.064	C	C	.	.			trans	-63.9	129.4	178.8	177.9	169.5	168	0	0	111.3	N1383 C1398 E1399 G1403 G1404 V1406 M1420 T1421 G1422	N1383-M1401 HydrophobicContact CB-CG 4.08Å; N1383-M1401 HydrophobicContact CB-SD 4.36Å; N1383-M1401 CarbonylContact O-C 2.78Å; N1383-M1401 WeakPolarHBondContact O-CA 3.35Å; C1398-M1401 HydrophobicContact CB-CB 4.28Å; C1398-M1401 HydrophobicContact CB-SD 3.91Å; C1398-M1401 VanDerWaalsContact O-CB 3.24Å; C1398-M1401 WeakPolarHBondContact O-CB 3.42Å; C1398-M1401 PolarHBondContact O-N 3.12Å; E1399-M1401 PolarHBondContact O-N 3.37Å; M1401-G1403 WeakPolarHBondContact CE-O 3.47Å; M1401-G1404 VanDerWaalsContact CE-C 3.43Å; M1401-G1404 WeakPolarHBondContact CE-O 3.4Å; M1401-V1406 HydrophobicContact CE-CG2 3.95Å; M1401-V1406 HydrophobicContact SD-CG2 3.8Å; M1401-M1420 HydrophobicContact CB-CB 4.43Å; M1401-M1420 HydrophobicContact CB-CG 3.99Å; M1401-M1420 HydrophobicContact CB-SD 4.44Å; M1401-M1420 HydrophobicContact CE-CE 4.04Å; M1401-M1420 HydrophobicContact CG-CE 4.22Å; M1401-M1420 HydrophobicContact CG-CG 4.47Å; M1401-M1420 CarbonylContact O-C 3.43Å; M1401-M1420 WeakPolarHBondContact O-CA 3.32Å; M1401-M1420 HydrophobicContact SD-CE 3.85Å; M1401-M1420 HydrophobicContact SD-SD 4.41Å; M1401-T1421 PolarHBondContact O-N 3.37Å; M1401-G1422 CarbonylContact C-O 3.58Å; M1401-G1422 PolarHBondContact O-N 2.8Å
1402	T	89.9	Confident	94.9	Very high	11 Å²	11	12.1 Å²	12.1	7%	0.067	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	-5.5	180	58.3	0	0	0	0	113.2	Y989 R1382 N1383 S1384 Y1400 T1421 G1422	Y989-T1402 PolarHBondContact O-OG1 3.27Å; R1382-T1402 VanDerWaalsContact NH1-CG2 3.28Å; R1382-T1402 PolarHBondContact NH1-OG1 3.02Å; N1383-T1402 PolarHBondContact O-N 3.43Å; S1384-T1402 PolarHBondContact OG-OG1 2.62Å; Y1400-T1402 PolarHBondContact O-N 3.02Å; T1402-T1421 WeakPolarHBondContact CG2-OG1 3.36Å; T1402-G1422 VanDerWaalsContact C-C 3.41Å; T1402-G1422 CarbonylContact C-O 3.48Å; T1402-G1422 CarbonylContact O-C 3.5Å; T1402-G1422 VanDerWaalsContact O-CA 3.32Å; T1402-G1422 WeakPolarHBondContact O-CA 3.44Å
1403	G	87.6	Confident	94.6	Very high	12 Å²	12	12.6 Å²	12.6	12%	0.124	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	169.8	179.9	0	0	0	0	0	111.7	N1383 S1384 G1385 M1401	N1383-G1403 CarbonylContact C-O 3.57Å; N1383-G1403 PolarHBondContact O-N 3.38Å; S1384-G1403 VanDerWaalsContact C-C 3.47Å; S1384-G1403 CarbonylContact C-O 3.53Å; S1384-G1403 PolarHBondContact N-O 3.23Å; G1385-G1403 PolarHBondContact N-O 3.04Å; M1401-G1403 WeakPolarHBondContact CE-O 3.47Å
1404	G	90.7	Very high	94.4	Very high	15 Å²	15	13.6 Å²	13.6	16%	0.155	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	92.2	-174.6	-175.7	0	0	0	0	0	113.6	A1386 M1401 G1423 F1424	A1386-G1404 VanDerWaalsContact O-CA 3.3Å; A1386-G1404 WeakPolarHBondContact O-CA 3.15Å; M1401-G1404 VanDerWaalsContact CE-C 3.43Å; M1401-G1404 WeakPolarHBondContact CE-O 3.4Å; G1404-G1423 VanDerWaalsContact O-CA 3.27Å; G1404-G1423 WeakPolarHBondContact O-CA 3.39Å; G1404-F1424 PolarHBondContact O-N 3.16Å
1405	I	95.6	Very high	94.4	Very high	23 Å²	23	14.2 Å²	14.2	12%	0.118	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	127.5	-173.8	-54.3	169.4	0	0	0	108.8	A1386 I1387 T1388 F1424 L1461	A1386-I1405 PolarHBondContact O-N 3.49Å; I1387-I1405 CarbonylContact C-O 3.4Å; I1387-I1405 WeakPolarHBondContact CA-O 3.48Å; I1387-I1405 HydrophobicContact CD1-CD1 4.21Å; I1387-I1405 HydrophobicContact CG1-CB 4.3Å; I1387-I1405 HydrophobicContact CG1-CD1 4.18Å; I1387-I1405 HydrophobicContact CG1-CG1 4.37Å; I1387-I1405 HydrophobicContact CG2-CB 4.38Å; T1388-I1405 PolarHBondContact N-O 3Å; I1405-F1424 WeakPolarHBondContact CA-O 3.16Å; I1405-F1424 HydrophobicContact CD1-CE1 4.3Å; I1405-F1424 HydrophobicContact CD1-CE2 4.46Å; I1405-F1424 HydrophobicContact CD1-CZ 3.81Å; I1405-F1424 HydrophobicContact CG1-CE1 4.03Å; I1405-F1424 HydrophobicContact CG1-CE2 4.2Å; I1405-F1424 HydrophobicContact CG1-CZ 3.79Å; I1405-F1424 HydrophobicContact CG2-CD2 4.21Å; I1405-F1424 HydrophobicContact CG2-CE2 3.73Å; I1405-F1424 HydrophobicContact CG2-CZ 4.17Å; I1405-L1461 HydrophobicContact CG2-CD1 3.86Å
1406	V	97.8	Very high	94.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121	-179.5	175.9	0	0	0	0	110.4	F1379 T1388 M1401 I1408 F1424 A1425 Y1426	F1379-V1406 HydrophobicContact CD1-CG1 4.35Å; F1379-V1406 HydrophobicContact CE1-CG1 3.98Å; T1388-V1406 HydrophobicContact CG2-CB 4.09Å; T1388-V1406 HydrophobicContact CG2-CG1 4.05Å; T1388-V1406 HydrophobicContact CG2-CG2 3.75Å; M1401-V1406 HydrophobicContact CE-CG2 3.95Å; M1401-V1406 HydrophobicContact SD-CG2 3.8Å; V1406-I1408 HydrophobicContact CG1-CD1 4.05Å; V1406-I1408 HydrophobicContact CG1-CG1 3.86Å; V1406-F1424 PolarHBondContact N-O 3.45Å; V1406-F1424 VanDerWaalsContact N-O 3.15Å; V1406-A1425 HydrophobicContact CB-CB 4.03Å; V1406-A1425 CarbonylContact O-C 3.53Å; V1406-A1425 WeakPolarHBondContact O-CA 3.42Å; V1406-A1425 WeakPolarHBondContact O-CB 3.48Å; V1406-Y1426 PolarHBondContact O-N 3.31Å
1407	C	98	Very high	94.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.4	176.7	-178	0	0	0	0	110.5	T1388 V1389 V1390 Y1426 L1458	T1388-C1407 PolarHBondContact O-N 3.43Å; V1389-C1407 WeakPolarHBondContact CA-O 3.42Å; V1389-C1407 HydrophobicContact CB-CB 4.34Å; V1389-C1407 HydrophobicContact CG1-CB 4.13Å; V1389-C1407 HydrophobicContact CG2-CB 4.02Å; V1390-C1407 PolarHBondContact N-O 3.07Å; C1407-Y1426 CarbonylContact C-O 3.59Å; C1407-Y1426 WeakPolarHBondContact CA-O 3.34Å; C1407-L1458 WeakPolarHBondContact SG-CD1 3.09Å
1408	I	98.2	Very high	94.5	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	112.2	-173.2	-48.5	177.9	0	0	0	109.5	V1390 I1393 V1406 G1410 T1412 F1416 Y1426 V1427 L1428	V1390-I1408 HydrophobicContact CG1-CG1 4.12Å; V1390-I1408 HydrophobicContact CG1-CG2 4.37Å; V1390-I1408 CarbonylContact O-C 3.45Å; V1390-I1408 VanDerWaalsContact O-CA 3.31Å; V1390-I1408 WeakPolarHBondContact O-CA 3.48Å; I1393-I1408 HydrophobicContact CD1-CD1 3.54Å; I1393-I1408 HydrophobicContact CG1-CD1 3.94Å; I1393-I1408 HydrophobicContact CG2-CD1 4.2Å; I1393-I1408 HydrophobicContact CG2-CG2 4.36Å; V1406-I1408 HydrophobicContact CG1-CD1 4.05Å; V1406-I1408 HydrophobicContact CG1-CG1 3.86Å; I1408-G1410 VanDerWaalsContact C-N 3.26Å; I1408-G1410 WeakPolarHBondContact CG2-O 3.39Å; I1408-G1410 PolarHBondContact O-N 2.98Å; I1408-T1412 HydrophobicContact CD1-CG2 3.93Å; I1408-T1412 HydrophobicContact CG2-CG2 4.35Å; I1408-F1416 HydrophobicContact CD1-CE2 3.67Å; I1408-F1416 HydrophobicContact CD1-CZ 4.25Å; I1408-Y1426 PolarHBondContact N-O 3.28Å; I1408-V1427 HydrophobicContact CD1-CG2 4.14Å; I1408-L1428 WeakPolarHBondContact O-CB 3.31Å; I1408-L1428 PolarHBondContact O-N 3.18Å
1409	L	97.5	Very high	94.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	-91.6	29.5	-174.9	-47.8	-177.2	0	0	0	113.3	V1389 V1390 E1391 I1462 R1473 I1477 F1488	V1389-L1409 HydrophobicContact CG1-CD1 3.84Å; V1389-L1409 HydrophobicContact CG1-CD2 4.39Å; V1389-L1409 HydrophobicContact CG1-CG 4Å; V1390-L1409 PolarHBondContact O-N 3.01Å; E1391-L1409 HydrophobicContact CG-CB 4.48Å; L1409-I1462 HydrophobicContact CD1-CG1 4.44Å; L1409-I1462 HydrophobicContact CD1-CG2 4.48Å; L1409-I1462 HydrophobicContact CD2-CD1 3.63Å; L1409-I1462 HydrophobicContact CD2-CG1 3.76Å; L1409-R1473 HydrophobicContact CB-CG 4.39Å; L1409-I1477 HydrophobicContact CB-CD1 3.95Å; L1409-I1477 HydrophobicContact CD1-CD1 4.38Å; L1409-I1477 HydrophobicContact CD2-CD1 4.19Å; L1409-I1477 HydrophobicContact CG-CD1 4.4Å; L1409-F1488 HydrophobicContact CD2-CE1 4.1Å; L1409-F1488 HydrophobicContact CD2-CZ 3.93Å
1410	G	94.5	Very high	94	Very high	5 Å²	5	12.6 Å²	12.6	5%	0.052	7%	0.072	C	C	.	.	S	Bend	trans	-179.6	-166.4	-177.1	0	0	0	0	0	112.5	I1408	I1408-G1410 VanDerWaalsContact C-N 3.26Å; I1408-G1410 WeakPolarHBondContact CG2-O 3.39Å; I1408-G1410 PolarHBondContact O-N 2.98Å
1411	K	92.4	Very high	93.5	Very high	130 Å²	130	13 Å²	13	57%	0.565	8%	0.076	S	C	*	.			trans	-64.6	146.5	-171.6	-67.4	-175.6	175.4	-177.1	0	114	G1392 I1393	G1392-K1411 CarbonylContact C-O 3.52Å; G1392-K1411 WeakPolarHBondContact CA-O 3.29Å; I1393-K1411 PolarHBondContact N-O 3.16Å
1412	T	94.2	Very high	92.9	Very high	9 Å²	9	13.3 Å²	13.3	6%	0.055	8%	0.079	C	C	.	.			trans	-106.7	159.5	167.3	75.1	0	0	0	0	111.4	I1393 I1408 F1416 V1427 F1434	I1393-T1412 HydrophobicContact CD1-CG2 4.26Å; I1393-T1412 HydrophobicContact CG1-CG2 3.98Å; I1408-T1412 HydrophobicContact CD1-CG2 3.93Å; I1408-T1412 HydrophobicContact CG2-CG2 4.35Å; T1412-F1416 HydrophobicContact CG2-CD2 4.15Å; T1412-F1416 HydrophobicContact CG2-CE2 4.32Å; T1412-V1427 HydrophobicContact CG2-CG1 3.55Å; T1412-V1427 HydrophobicContact CG2-CG2 4.5Å; T1412-F1434 HydrophobicContact CG2-CD2 4.21Å; T1412-F1434 HydrophobicContact CG2-CE2 3.86Å; T1412-F1434 WeakPolarHBondContact OG1-CD2 3.25Å; T1412-F1434 WeakPolarHBondContact OG1-CE2 3.43Å
1413	G	91	Very high	92.7	Very high	10 Å²	10	14 Å²	14	10%	0.103	9%	0.088	C	C	.	.			trans	-77.9	-169.5	162.4	0	0	0	0	0	113.8	I1393 G1394 D1395 R1437	I1393-G1413 PolarHBondContact O-N 3.09Å; G1394-G1413 WeakPolarHBondContact O-CA 3.35Å; G1394-G1413 PolarHBondContact O-N 2.86Å; D1395-G1413 WeakPolarHBondContact OD1-CA 3.49Å; G1413-R1437 WeakPolarHBondContact O-CD 3.34Å
1414	V	92.1	Very high	92.9	Very high	22 Å²	22	14.9 Å²	14.9	13%	0.133	9%	0.089	C	C	.	.	S	Bend	trans	-81.8	167.8	179.6	-60.1	0	0	0	0	113	D1395 N1396 F1416 R1437	D1395-V1414 HydrophobicContact CB-CG2 4.34Å; D1395-V1414 PolarHBondContact OD1-N 3.21Å; N1396-V1414 PolarHBondContact N-O 3.03Å; V1414-F1416 VanDerWaalsContact C-N 3.28Å; V1414-F1416 PolarHBondContact O-N 2.88Å; V1414-R1437 CarbonylContact C-O 3.25Å; V1414-R1437 HydrophobicContact CG1-CG 4.17Å
1415	N	93.4	Very high	93.2	Very high	14 Å²	14	14.1 Å²	14.1	8%	0.075	8%	0.081	C	C	.	.	S	Bend	trans	59.6	31.8	178.5	-159.7	45.1	0	0	0	114.5	R553 H556 N1396 G1417 A1418 R1437 N1439	R553-N1415 PolarHBondContact O-ND2 3.16Å; R553-N1415 PolarHBondContact O-OD1 2.88Å; H556-N1415 WeakPolarHBondContact CE1-CB 3.38Å; H556-N1415 VanDerWaalsContact CE1-CG 3.45Å; H556-N1415 PolarHBondContact CE1-ND2 2.96Å; H556-N1415 VanDerWaalsContact ND1-CG 3.35Å; H556-N1415 PolarHBondContact ND1-ND2 2.92Å; N1396-N1415 WeakPolarHBondContact OD1-CB 3.21Å; N1396-N1415 PolarHBondContact OD1-ND2 2.82Å; N1415-G1417 PolarHBondContact O-N 2.91Å; N1415-A1418 WeakPolarHBondContact ND2-CB 3.37Å; N1415-A1418 WeakPolarHBondContact O-CB 3.48Å; N1415-A1418 PolarHBondContact O-N 2.86Å; N1415-R1437 WeakPolarHBondContact CA-O 3.42Å; N1415-R1437 PolarHBondContact N-O 2.87Å; N1415-N1439 WeakPolarHBondContact OD1-CB 3.33Å; N1415-N1439 PolarHBondContact OD1-ND2 3.07Å
1416	F	96.1	Very high	93.2	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-62.2	134.9	179.3	-174.3	-83.9	0	0	0	111.6	I1393 G1397 C1398 I1408 T1412 V1414 A1418 A1425 V1427 F1434 R1437 V1438 N1439 V1491	I1393-F1416 HydrophobicContact CD1-CD2 4.03Å; I1393-F1416 HydrophobicContact CD1-CE2 3.89Å; G1397-F1416 WeakPolarHBondContact O-CA 3.42Å; C1398-F1416 HydrophobicContact CB-CE1 4.45Å; C1398-F1416 HydrophobicContact CB-CE2 4.34Å; C1398-F1416 HydrophobicContact CB-CZ 4.07Å; C1398-F1416 VanDerWaalsContact SG-CZ 3.54Å; I1408-F1416 HydrophobicContact CD1-CE2 3.67Å; I1408-F1416 HydrophobicContact CD1-CZ 4.25Å; T1412-F1416 HydrophobicContact CG2-CD2 4.15Å; T1412-F1416 HydrophobicContact CG2-CE2 4.32Å; V1414-F1416 VanDerWaalsContact C-N 3.28Å; V1414-F1416 PolarHBondContact O-N 2.88Å; F1416-A1418 VanDerWaalsContact C-N 3.31Å; F1416-A1418 PolarHBondContact O-N 3.45Å; F1416-A1425 HydrophobicContact CE1-CB 4.21Å; F1416-A1425 HydrophobicContact CZ-CB 3.78Å; F1416-V1427 HydrophobicContact CE1-CG2 4.44Å; F1416-V1427 HydrophobicContact CE2-CG2 4.38Å; F1416-V1427 HydrophobicContact CZ-CG2 3.98Å; F1416-F1434 HydrophobicContact CB-CE2 4.1Å; F1416-F1434 HydrophobicContact CD1-CE2 4.07Å; F1416-F1434 AromaticContact CD1-CZ 3.67Å; F1416-F1434 HydrophobicContact CD1-CZ 3.67Å; F1416-F1434 HydrophobicContact CD2-CE2 4.21Å; F1416-F1434 HydrophobicContact CD2-CZ 4.46Å; F1416-F1434 AromaticContact CE1-CZ 3.96Å; F1416-F1434 HydrophobicContact CE1-CZ 3.96Å; F1416-F1434 AromaticContact CG-CE2 3.85Å; F1416-F1434 HydrophobicContact CG-CE2 3.85Å; F1416-F1434 AromaticContact CG-CZ 3.95Å; F1416-F1434 HydrophobicContact CG-CZ 3.95Å; F1416-F1434 HydrophobicContact CZ-CZ 4.45Å; F1416-R1437 PolarHBondContact N-O 3.31Å; F1416-V1438 HydrophobicContact CB-CG2 4.28Å; F1416-V1438 HydrophobicContact CD1-CG2 4.19Å; F1416-V1438 WeakPolarHBondContact O-CA 3.36Å; F1416-N1439 PolarHBondContact O-N 2.92Å; F1416-V1491 HydrophobicContact CD1-CG1 4.31Å; F1416-V1491 HydrophobicContact CD1-CG2 4.26Å; F1416-V1491 HydrophobicContact CE1-CB 3.94Å; F1416-V1491 HydrophobicContact CE1-CG1 3.96Å; F1416-V1491 HydrophobicContact CE1-CG2 3.81Å
1417	G	95	Very high	93.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	13	177.9	0	0	0	0	0	115	G1397 N1415 G1419 M1420	G1397-G1417 PolarHBondContact O-N 2.9Å; N1415-G1417 PolarHBondContact O-N 2.91Å; G1417-G1419 PolarHBondContact O-N 3.25Å; G1417-M1420 WeakPolarHBondContact O-CB 3.44Å; G1417-M1420 PolarHBondContact O-N 2.85Å
1418	A	94.4	Very high	93.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	124	176.6	0	0	0	0	0	111.1	R553 E1399 Y1400 N1415 F1416 M1420 N1439	R553-A1418 HydrophobicContact CB-CB 4.09Å; E1399-A1418 CarbonylContact C-O 3.57Å; E1399-A1418 VanDerWaalsContact CA-O 3.25Å; E1399-A1418 WeakPolarHBondContact CA-O 3.44Å; E1399-A1418 HydrophobicContact CG-CB 4.26Å; E1399-A1418 VanDerWaalsContact CG-O 3.3Å; E1399-A1418 WeakPolarHBondContact CG-O 3.46Å; Y1400-A1418 PolarHBondContact N-O 3.11Å; N1415-A1418 WeakPolarHBondContact ND2-CB 3.37Å; N1415-A1418 WeakPolarHBondContact O-CB 3.48Å; N1415-A1418 PolarHBondContact O-N 2.86Å; F1416-A1418 VanDerWaalsContact C-N 3.31Å; F1416-A1418 PolarHBondContact O-N 3.45Å; A1418-M1420 PolarHBondContact O-N 3.31Å; A1418-N1439 HydrophobicContact CB-CB 3.84Å; A1418-N1439 WeakPolarHBondContact CB-ND2 3.3Å
1419	G	90.2	Very high	92.9	Very high	3 Å²	3	14.8 Å²	14.8	3%	0.031	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	4.1	-175.7	0	0	0	0	0	115.3	G1417 T1421	G1417-G1419 PolarHBondContact O-N 3.25Å; G1419-T1421 PolarHBondContact O-N 2.97Å
1420	M	93.8	Very high	92.7	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.105	C	C	.	.			trans	-68.8	123.8	177	178	174.1	-176.6	0	0	110.4	C1398 M1401 G1417 A1418 G1423 L1442 V1443 P1493	C1398-M1420 HydrophobicContact CB-SD 4.08Å; M1401-M1420 HydrophobicContact CB-CB 4.43Å; M1401-M1420 HydrophobicContact CB-CG 3.99Å; M1401-M1420 HydrophobicContact CB-SD 4.44Å; M1401-M1420 HydrophobicContact CE-CE 4.04Å; M1401-M1420 HydrophobicContact CG-CE 4.22Å; M1401-M1420 HydrophobicContact CG-CG 4.47Å; M1401-M1420 CarbonylContact O-C 3.43Å; M1401-M1420 WeakPolarHBondContact O-CA 3.32Å; M1401-M1420 HydrophobicContact SD-CE 3.85Å; M1401-M1420 HydrophobicContact SD-SD 4.41Å; G1417-M1420 WeakPolarHBondContact O-CB 3.44Å; G1417-M1420 PolarHBondContact O-N 2.85Å; A1418-M1420 PolarHBondContact O-N 3.31Å; M1420-G1423 WeakPolarHBondContact CE-O 3.35Å; M1420-L1442 WeakPolarHBondContact O-CB 3.27Å; M1420-V1443 HydrophobicContact CB-CG1 3.7Å; M1420-V1443 HydrophobicContact CG-CG1 3.84Å; M1420-V1443 HydrophobicContact SD-CG1 3.96Å; M1420-P1493 HydrophobicContact CG-CG 4.27Å
1421	T	85.8	Confident	92.3	Very high	19 Å²	19	21.8 Å²	21.8	12%	0.117	12%	0.123	C	C	.	.			trans	-128.5	-11.7	-171.3	45.3	0	0	0	0	114	V991 V994 M1401 T1402 G1419 L1442 P1493 S1495	V991-T1421 WeakPolarHBondContact CG2-O 3.23Å; V994-T1421 HydrophobicContact CG1-CG2 3.83Å; M1401-T1421 PolarHBondContact O-N 3.37Å; T1402-T1421 WeakPolarHBondContact CG2-OG1 3.36Å; G1419-T1421 PolarHBondContact O-N 2.97Å; T1421-L1442 HydrophobicContact CG2-CD1 3.79Å; T1421-P1493 VanDerWaalsContact C-CG 3.43Å; T1421-S1495 PolarHBondContact O-OG 2.55Å
1422	G	82.8	Confident	92.1	Very high	7 Å²	7	18.6 Å²	18.6	7%	0.072	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	168.5	175.3	0	0	0	0	0	111.9	M1401 T1402	M1401-G1422 CarbonylContact C-O 3.58Å; M1401-G1422 PolarHBondContact O-N 2.8Å; T1402-G1422 VanDerWaalsContact C-C 3.41Å; T1402-G1422 CarbonylContact C-O 3.48Å; T1402-G1422 CarbonylContact O-C 3.5Å; T1402-G1422 VanDerWaalsContact O-CA 3.32Å; T1402-G1422 WeakPolarHBondContact O-CA 3.44Å
1423	G	86.3	Confident	91.8	Very high	25 Å²	25	19.9 Å²	19.9	26%	0.258	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	72.6	-174	-170.2	0	0	0	0	0	113.2	G1404 M1420 P1493	G1404-G1423 VanDerWaalsContact O-CA 3.27Å; G1404-G1423 WeakPolarHBondContact O-CA 3.39Å; M1420-G1423 WeakPolarHBondContact CE-O 3.35Å; G1423-P1493 WeakPolarHBondContact O-CD 3.35Å
1424	F	91.2	Very high	91.9	Very high	30 Å²	30	19.6 Å²	19.6	13%	0.132	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	163.8	176	59.7	-92	0	0	0	112.1	G1404 I1405 V1406 Y1426 H1457 L1490 V1491 K1492 L1533	G1404-F1424 PolarHBondContact O-N 3.16Å; I1405-F1424 WeakPolarHBondContact CA-O 3.16Å; I1405-F1424 HydrophobicContact CD1-CE1 4.3Å; I1405-F1424 HydrophobicContact CD1-CE2 4.46Å; I1405-F1424 HydrophobicContact CD1-CZ 3.81Å; I1405-F1424 HydrophobicContact CG1-CE1 4.03Å; I1405-F1424 HydrophobicContact CG1-CE2 4.2Å; I1405-F1424 HydrophobicContact CG1-CZ 3.79Å; I1405-F1424 HydrophobicContact CG2-CD2 4.21Å; I1405-F1424 HydrophobicContact CG2-CE2 3.73Å; I1405-F1424 HydrophobicContact CG2-CZ 4.17Å; V1406-F1424 PolarHBondContact N-O 3.45Å; V1406-F1424 VanDerWaalsContact N-O 3.15Å; F1424-Y1426 HydrophobicContact CD2-CE2 4.2Å; F1424-Y1426 HydrophobicContact CE2-CD2 4.49Å; F1424-Y1426 AromaticContact CE2-CE2 3.67Å; F1424-Y1426 HydrophobicContact CE2-CE2 3.67Å; F1424-Y1426 AromaticContact CE2-CZ 3.79Å; F1424-H1457 AromaticContact CE2-CE1 3.77Å; F1424-H1457 AromaticContact CE2-ND1 3.99Å; F1424-H1457 AromaticContact CZ-CE1 3.67Å; F1424-L1490 HydrophobicContact CB-CD1 3.99Å; F1424-L1490 HydrophobicContact CD2-CD1 3.81Å; F1424-L1490 HydrophobicContact CG-CD1 4.26Å; F1424-V1491 WeakPolarHBondContact CA-O 3.45Å; F1424-V1491 WeakPolarHBondContact CB-O 3.26Å; F1424-K1492 HydrophobicContact CB-CB 4.27Å; F1424-L1533 HydrophobicContact CE1-CD2 3.96Å; F1424-L1533 HydrophobicContact CZ-CD2 4.42Å
1425	A	96.1	Very high	91.9	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	140.9	-179.2	0	0	0	0	0	113.6	V1406 F1416 L1490 V1491	V1406-A1425 HydrophobicContact CB-CB 4.03Å; V1406-A1425 CarbonylContact O-C 3.53Å; V1406-A1425 WeakPolarHBondContact O-CA 3.42Å; V1406-A1425 WeakPolarHBondContact O-CB 3.48Å; F1416-A1425 HydrophobicContact CE1-CB 4.21Å; F1416-A1425 HydrophobicContact CZ-CB 3.78Å; A1425-L1490 WeakPolarHBondContact O-CA 3.2Å; A1425-L1490 WeakPolarHBondContact O-CD1 3.15Å; A1425-V1491 PolarHBondContact N-O 2.85Å; A1425-V1491 PolarHBondContact O-N 3Å
1426	Y	96.7	Very high	91.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.2	169.7	-61.9	-66.5	0	0	0	110.1	V1406 C1407 I1408 F1424 V1448 H1454 H1457 L1458 L1461 A1489 L1490	V1406-Y1426 PolarHBondContact O-N 3.31Å; C1407-Y1426 CarbonylContact C-O 3.59Å; C1407-Y1426 WeakPolarHBondContact CA-O 3.34Å; I1408-Y1426 PolarHBondContact N-O 3.28Å; F1424-Y1426 HydrophobicContact CD2-CE2 4.2Å; F1424-Y1426 HydrophobicContact CE2-CD2 4.49Å; F1424-Y1426 AromaticContact CE2-CE2 3.67Å; F1424-Y1426 HydrophobicContact CE2-CE2 3.67Å; F1424-Y1426 AromaticContact CE2-CZ 3.79Å; Y1426-V1448 HydrophobicContact CD1-CG2 3.99Å; Y1426-V1448 HydrophobicContact CE1-CG2 4.22Å; Y1426-H1454 HydrophobicContact CE1-CB 4Å; Y1426-H1454 WeakPolarHBondContact OH-CB 3.16Å; Y1426-H1454 PolarHBondContact OH-ND1 3.27Å; Y1426-H1454 PolarHBondContact OH-O 3.42Å; Y1426-H1457 AromaticContact CE2-CE1 3.9Å; Y1426-H1457 AromaticContact CE2-ND1 3.49Å; Y1426-H1457 WeakPolarHBondContact CE2-ND1 3.22Å; Y1426-H1457 AromaticContact CZ-ND1 3.69Å; Y1426-H1457 PolarHBondContact OH-ND1 2.7Å; Y1426-L1458 HydrophobicContact CD1-CD1 4.45Å; Y1426-L1458 HydrophobicContact CD1-CD2 4.45Å; Y1426-L1458 HydrophobicContact CD2-CB 4.31Å; Y1426-L1458 HydrophobicContact CD2-CD1 3.73Å; Y1426-L1458 HydrophobicContact CE2-CB 4.23Å; Y1426-L1458 HydrophobicContact CE2-CD1 4.45Å; Y1426-L1458 HydrophobicContact CG-CB 4.46Å; Y1426-L1458 HydrophobicContact CG-CD1 3.72Å; Y1426-L1458 HydrophobicContact CG-CD2 4.48Å; Y1426-L1458 HydrophobicContact CG-CG 4.43Å; Y1426-L1461 HydrophobicContact CD2-CD1 4.13Å; Y1426-L1461 HydrophobicContact CE2-CD1 4.02Å; Y1426-A1489 WeakPolarHBondContact CA-O 3.45Å; Y1426-L1490 HydrophobicContact CD1-CB 4.34Å; Y1426-L1490 HydrophobicContact CD1-CD1 3.98Å; Y1426-L1490 HydrophobicContact CE1-CB 4.38Å; Y1426-L1490 HydrophobicContact CE1-CD1 3.79Å; Y1426-L1490 HydrophobicContact CE1-CD2 4.24Å; Y1426-L1490 HydrophobicContact CE1-CG 4.37Å
1427	V	97.1	Very high	91.5	Very high	2 Å²	2	35 Å²	35	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	125.4	-177	-174.4	0	0	0	0	110.2	I1408 T1412 F1416 D1429 F1434 F1488 A1489	I1408-V1427 HydrophobicContact CD1-CG2 4.14Å; T1412-V1427 HydrophobicContact CG2-CG1 3.55Å; T1412-V1427 HydrophobicContact CG2-CG2 4.5Å; F1416-V1427 HydrophobicContact CE1-CG2 4.44Å; F1416-V1427 HydrophobicContact CE2-CG2 4.38Å; F1416-V1427 HydrophobicContact CZ-CG2 3.98Å; V1427-D1429 PolarHBondContact O-N 3.5Å; V1427-F1434 HydrophobicContact CB-CD1 4.27Å; V1427-F1434 HydrophobicContact CB-CE1 3.87Å; V1427-F1434 HydrophobicContact CB-CE2 4.34Å; V1427-F1434 HydrophobicContact CB-CZ 3.91Å; V1427-F1434 HydrophobicContact CG1-CD1 4.24Å; V1427-F1434 HydrophobicContact CG1-CD2 3.96Å; V1427-F1434 HydrophobicContact CG1-CE1 4.14Å; V1427-F1434 HydrophobicContact CG1-CE2 3.88Å; V1427-F1434 HydrophobicContact CG1-CG 4.15Å; V1427-F1434 HydrophobicContact CG1-CZ 3.96Å; V1427-F1434 HydrophobicContact CG2-CE1 3.93Å; V1427-F1434 HydrophobicContact CG2-CE2 4.17Å; V1427-F1434 HydrophobicContact CG2-CZ 3.57Å; V1427-F1488 WeakPolarHBondContact O-CA 3.17Å; V1427-A1489 PolarHBondContact N-O 3.05Å; V1427-A1489 PolarHBondContact O-N 3.18Å
1428	L	96.7	Very high	91.4	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	105.6	173.2	178.3	56.1	0	0	0	110.4	I1408 E1430 I1477 F1484 K1487 F1488	I1408-L1428 WeakPolarHBondContact O-CB 3.31Å; I1408-L1428 PolarHBondContact O-N 3.18Å; L1428-E1430 HydrophobicContact CD1-CG 4.12Å; L1428-E1430 HydrophobicContact CD2-CG 4.32Å; L1428-E1430 HydrophobicContact CG-CG 3.99Å; L1428-I1477 HydrophobicContact CD2-CD1 3.93Å; L1428-F1484 HydrophobicContact CD1-CD1 3.94Å; L1428-F1484 HydrophobicContact CD2-CD1 4.06Å; L1428-F1484 HydrophobicContact CD2-CE1 4.19Å; L1428-K1487 HydrophobicContact CD1-CB 3.66Å; L1428-F1488 HydrophobicContact CB-CD1 4.06Å; L1428-F1488 HydrophobicContact CB-CE1 3.62Å; L1428-F1488 HydrophobicContact CB-CZ 3.9Å; L1428-F1488 HydrophobicContact CD1-CD2 4.25Å; L1428-F1488 HydrophobicContact CD1-CE2 4.06Å; L1428-F1488 HydrophobicContact CD1-CZ 4.21Å; L1428-F1488 HydrophobicContact CD2-CZ 4.45Å; L1428-F1488 HydrophobicContact CG-CZ 4.4Å
1429	D	94.4	Very high	91.3	Very high	31 Å²	31	36.7 Å²	36.7	17%	0.166	20%	0.198	C	C	.	.			trans	-100.1	88	176.7	-173.4	8.5	0	0	0	111	V1427 S1431 G1432 D1433 F1434 K1487	V1427-D1429 PolarHBondContact O-N 3.5Å; D1429-S1431 VanDerWaalsContact C-N 3.32Å; D1429-S1431 PolarHBondContact OD1-N 3.1Å; D1429-G1432 WeakPolarHBondContact OD1-CA 3.25Å; D1429-G1432 PolarHBondContact OD1-N 3.28Å; D1429-G1432 VanDerWaalsContact OD2-C 3.27Å; D1429-G1432 VanDerWaalsContact OD2-CA 3.23Å; D1429-G1432 WeakPolarHBondContact OD2-CA 3.39Å; D1429-D1433 PolarHBondContact OD1-N 3.31Å; D1429-D1433 PolarHBondContact OD2-N 2.9Å; D1429-F1434 HydrophobicContact CB-CB 3.8Å; D1429-F1434 VanDerWaalsContact CG-CB 3.42Å; D1429-F1434 WeakPolarHBondContact OD2-CB 3.47Å; D1429-F1434 PolarHBondContact OD2-N 3.36Å; D1429-K1487 PolarHBondContact N-O 2.88Å
1430	E	92.7	Very high	91.3	Very high	90 Å²	90	41.2 Å²	41.2	42%	0.421	23%	0.227	S	C	.	.	S	Bend	trans	-76.6	-17.4	176.1	-72.9	172.5	120.1	0	0	113.9	L1428 R1473 K1487	L1428-E1430 HydrophobicContact CD1-CG 4.12Å; L1428-E1430 HydrophobicContact CD2-CG 4.32Å; L1428-E1430 HydrophobicContact CG-CG 3.99Å; E1430-R1473 IonicContact OE1-CZ 3.79Å; E1430-R1473 IonicContact OE1-NH1 2.75Å; E1430-R1473 IonicContact OE1-NH2 2.79Å; E1430-R1473 PolarHBondContact OE1-NH2 3.19Å; E1430-R1473 IonicContact OE2-NH2 3.21Å; E1430-R1473 PolarHBondContact OE2-NH2 2.86Å; E1430-K1487 HydrophobicContact CG-CD 4.27Å
1431	S	87	Confident	90.9	Very high	62 Å²	62	45.7 Å²	45.7	43%	0.434	25%	0.248	S	C	.	.	S	Bend	trans	-101.1	-14.1	-176.1	26.5	0	0	0	0	114.2	D1429 D1433	D1429-S1431 VanDerWaalsContact C-N 3.32Å; D1429-S1431 PolarHBondContact OD1-N 3.1Å; S1431-D1433 WeakPolarHBondContact CB-OD1 3.45Å; S1431-D1433 PolarHBondContact O-N 2.82Å; S1431-D1433 PolarHBondContact OG-OD1 3.49Å
1432	G	87.9	Confident	90.9	Very high	63 Å²	63	47 Å²	47	65%	0.649	25%	0.254	S	S	*	.	S	Bend	trans	70.1	19.4	-175.1	0	0	0	0	0	113.3	D1429	D1429-G1432 WeakPolarHBondContact OD1-CA 3.25Å; D1429-G1432 PolarHBondContact OD1-N 3.28Å; D1429-G1432 VanDerWaalsContact OD2-C 3.27Å; D1429-G1432 VanDerWaalsContact OD2-CA 3.23Å; D1429-G1432 WeakPolarHBondContact OD2-CA 3.39Å
1433	D	88.2	Confident	91.2	Very high	36 Å²	36	46.8 Å²	46.8	19%	0.193	25%	0.251	C	S	.	.			trans	-111.7	-9.4	-174.2	70.6	-16.6	0	0	0	113.9	D1429 S1431 R1435 K1436 R1437	D1429-D1433 PolarHBondContact OD1-N 3.31Å; D1429-D1433 PolarHBondContact OD2-N 2.9Å; S1431-D1433 WeakPolarHBondContact CB-OD1 3.45Å; S1431-D1433 PolarHBondContact O-N 2.82Å; S1431-D1433 PolarHBondContact OG-OD1 3.49Å; D1433-R1435 PolarHBondContact O-N 2.88Å; D1433-R1435 VanDerWaalsContact O-N 3.13Å; D1433-K1436 WeakPolarHBondContact O-CB 3.3Å; D1433-K1436 PolarHBondContact O-N 3.3Å; D1433-R1437 IonicContact OD1-NH1 2.92Å; D1433-R1437 PolarHBondContact OD1-NH1 3.15Å; D1433-R1437 IonicContact OD2-CZ 3.55Å; D1433-R1437 VanDerWaalsContact OD2-CZ 3.32Å; D1433-R1437 IonicContact OD2-NH1 2.64Å; D1433-R1437 PolarHBondContact OD2-NH1 3.44Å; D1433-R1437 IonicContact OD2-NH2 2.83Å; D1433-R1437 PolarHBondContact OD2-NH2 3.29Å
1434	F	92.5	Very high	91.4	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.018	25%	0.253	C	S	.	.	H	α-helix	trans	-55.4	-37.8	-175.4	174.2	-120.5	0	0	0	113	T1412 F1416 V1427 D1429 K1436 R1437 V1438 V1445 A1489 V1491	T1412-F1434 HydrophobicContact CG2-CD2 4.21Å; T1412-F1434 HydrophobicContact CG2-CE2 3.86Å; T1412-F1434 WeakPolarHBondContact OG1-CD2 3.25Å; T1412-F1434 WeakPolarHBondContact OG1-CE2 3.43Å; F1416-F1434 HydrophobicContact CB-CE2 4.1Å; F1416-F1434 HydrophobicContact CD1-CE2 4.07Å; F1416-F1434 AromaticContact CD1-CZ 3.67Å; F1416-F1434 HydrophobicContact CD1-CZ 3.67Å; F1416-F1434 HydrophobicContact CD2-CE2 4.21Å; F1416-F1434 HydrophobicContact CD2-CZ 4.46Å; F1416-F1434 AromaticContact CE1-CZ 3.96Å; F1416-F1434 HydrophobicContact CE1-CZ 3.96Å; F1416-F1434 AromaticContact CG-CE2 3.85Å; F1416-F1434 HydrophobicContact CG-CE2 3.85Å; F1416-F1434 AromaticContact CG-CZ 3.95Å; F1416-F1434 HydrophobicContact CG-CZ 3.95Å; F1416-F1434 HydrophobicContact CZ-CZ 4.45Å; V1427-F1434 HydrophobicContact CB-CD1 4.27Å; V1427-F1434 HydrophobicContact CB-CE1 3.87Å; V1427-F1434 HydrophobicContact CB-CE2 4.34Å; V1427-F1434 HydrophobicContact CB-CZ 3.91Å; V1427-F1434 HydrophobicContact CG1-CD1 4.24Å; V1427-F1434 HydrophobicContact CG1-CD2 3.96Å; V1427-F1434 HydrophobicContact CG1-CE1 4.14Å; V1427-F1434 HydrophobicContact CG1-CE2 3.88Å; V1427-F1434 HydrophobicContact CG1-CG 4.15Å; V1427-F1434 HydrophobicContact CG1-CZ 3.96Å; V1427-F1434 HydrophobicContact CG2-CE1 3.93Å; V1427-F1434 HydrophobicContact CG2-CE2 4.17Å; V1427-F1434 HydrophobicContact CG2-CZ 3.57Å; D1429-F1434 HydrophobicContact CB-CB 3.8Å; D1429-F1434 VanDerWaalsContact CG-CB 3.42Å; D1429-F1434 WeakPolarHBondContact OD2-CB 3.47Å; D1429-F1434 PolarHBondContact OD2-N 3.36Å; F1434-K1436 PolarHBondContact O-N 3.26Å; F1434-R1437 WeakPolarHBondContact O-CA 3.48Å; F1434-R1437 WeakPolarHBondContact O-CB 3.41Å; F1434-R1437 PolarHBondContact O-N 2.99Å; F1434-V1438 HydrophobicContact CD1-CG2 4.2Å; F1434-V1438 HydrophobicContact CD2-CG2 4.27Å; F1434-V1438 HydrophobicContact CE1-CG2 3.67Å; F1434-V1438 HydrophobicContact CE2-CG2 3.73Å; F1434-V1438 HydrophobicContact CG-CG2 4.48Å; F1434-V1438 HydrophobicContact CZ-CG2 3.4Å; F1434-V1438 PolarHBondContact O-N 3.19Å; F1434-V1445 HydrophobicContact CD1-CG1 4.36Å; F1434-V1445 HydrophobicContact CE1-CG1 4.26Å; F1434-A1489 HydrophobicContact CD1-CB 3.92Å; F1434-A1489 HydrophobicContact CE1-CB 4.12Å; F1434-V1491 HydrophobicContact CE1-CG2 3.47Å; F1434-V1491 VanDerWaalsContact CE1-CG2 3.47Å; F1434-V1491 HydrophobicContact CZ-CG2 3.66Å
1435	R	91.2	Very high	91.4	Very high	179 Å²	179	48 Å²	48	68%	0.675	25%	0.251	S	S	*	.	H	α-helix	trans	-61	-20.5	-178.8	-146.7	179.2	-151.6	-174.5	8.6	114	D1433 V1445	D1433-R1435 PolarHBondContact O-N 2.88Å; D1433-R1435 VanDerWaalsContact O-N 3.13Å; R1435-V1445 HydrophobicContact CG-CB 4.19Å; R1435-V1445 HydrophobicContact CG-CG1 4.42Å; R1435-V1445 HydrophobicContact CG-CG2 4.26Å; R1435-V1445 PolarHBondContact NH2-O 3.15Å
1436	K	89.4	Confident	91	Very high	143 Å²	143	49.9 Å²	49.9	62%	0.622	26%	0.261	S	S	*	.	H	α-helix	trans	-80.8	-22.1	173.9	-60.6	174.6	-177.5	170.9	0	113	D1433 F1434	D1433-K1436 WeakPolarHBondContact O-CB 3.3Å; D1433-K1436 PolarHBondContact O-N 3.3Å; F1434-K1436 PolarHBondContact O-N 3.26Å
1437	R	91.3	Very high	90.5	Very high	38 Å²	38	52.3 Å²	52.3	14%	0.143	28%	0.278	C	S	.	.	H	α-helix	trans	-91.4	-14.2	-178.4	-63	-159.1	179.3	108.4	20.3	113.7	D345 G1413 V1414 N1415 F1416 D1433 F1434	D345-R1437 IonicContact OD2-CZ 3.23Å; D345-R1437 IonicContact OD2-NE 2.74Å; D345-R1437 PolarHBondContact OD2-NE 2.89Å; D345-R1437 IonicContact OD2-NH2 3.29Å; D345-R1437 PolarHBondContact OD2-NH2 3.29Å; G1413-R1437 WeakPolarHBondContact O-CD 3.34Å; V1414-R1437 CarbonylContact C-O 3.25Å; V1414-R1437 HydrophobicContact CG1-CG 4.17Å; N1415-R1437 WeakPolarHBondContact CA-O 3.42Å; N1415-R1437 PolarHBondContact N-O 2.87Å; F1416-R1437 PolarHBondContact N-O 3.31Å; D1433-R1437 IonicContact OD1-NH1 2.92Å; D1433-R1437 PolarHBondContact OD1-NH1 3.15Å; D1433-R1437 IonicContact OD2-CZ 3.55Å; D1433-R1437 VanDerWaalsContact OD2-CZ 3.32Å; D1433-R1437 IonicContact OD2-NH1 2.64Å; D1433-R1437 PolarHBondContact OD2-NH1 3.44Å; D1433-R1437 IonicContact OD2-NH2 2.83Å; D1433-R1437 PolarHBondContact OD2-NH2 3.29Å; F1434-R1437 WeakPolarHBondContact O-CA 3.48Å; F1434-R1437 WeakPolarHBondContact O-CB 3.41Å; F1434-R1437 PolarHBondContact O-N 2.99Å
1438	V	93.7	Very high	89.9	Confident	12 Å²	12	52.2 Å²	52.2	7%	0.073	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-76.9	136.8	176.5	175.6	0	0	0	0	110.8	F1416 F1434 P1440 V1443 V1445	F1416-V1438 HydrophobicContact CB-CG2 4.28Å; F1416-V1438 HydrophobicContact CD1-CG2 4.19Å; F1416-V1438 WeakPolarHBondContact O-CA 3.36Å; F1434-V1438 HydrophobicContact CD1-CG2 4.2Å; F1434-V1438 HydrophobicContact CD2-CG2 4.27Å; F1434-V1438 HydrophobicContact CE1-CG2 3.67Å; F1434-V1438 HydrophobicContact CE2-CG2 3.73Å; F1434-V1438 HydrophobicContact CG-CG2 4.48Å; F1434-V1438 HydrophobicContact CZ-CG2 3.4Å; F1434-V1438 PolarHBondContact O-N 3.19Å; V1438-P1440 VanDerWaalsContact O-CD 3.31Å; V1438-P1440 WeakPolarHBondContact O-CD 3.43Å; V1438-V1443 HydrophobicContact CG1-CG2 3.56Å; V1438-V1445 HydrophobicContact CB-CG2 4.05Å; V1438-V1445 HydrophobicContact CG1-CG2 3.84Å; V1438-V1445 HydrophobicContact CG2-CG2 3.81Å
1439	N	92.7	Very high	88.9	Confident	23 Å²	23	56.1 Å²	56.1	12%	0.123	30%	0.299	C	S	.	.			trans	-76.5	111.5	169.3	-175.3	-44.4	0	0	0	109.3	N1415 F1416 A1418 E1441 V1443	N1415-N1439 WeakPolarHBondContact OD1-CB 3.33Å; N1415-N1439 PolarHBondContact OD1-ND2 3.07Å; F1416-N1439 PolarHBondContact O-N 2.92Å; A1418-N1439 HydrophobicContact CB-CB 3.84Å; A1418-N1439 WeakPolarHBondContact CB-ND2 3.3Å; N1439-E1441 PolarHBondContact O-N 3.08Å; N1439-E1441 VanDerWaalsContact OD1-CB 3.27Å; N1439-E1441 WeakPolarHBondContact OD1-CB 3.39Å; N1439-E1441 PolarHBondContact OD1-N 3.37Å; N1439-E1441 VanDerWaalsContact OD1-N 3.14Å; N1439-V1443 WeakPolarHBondContact O-CG2 3.42Å
1440	P	89.8	Confident	87.7	Confident	99 Å²	99	57.5 Å²	57.5	64%	0.643	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	7.7	-168.7	36.2	-37.6	0	0	0	113.6	V1438 K1494	V1438-P1440 VanDerWaalsContact O-CD 3.31Å; V1438-P1440 WeakPolarHBondContact O-CD 3.43Å; P1440-K1494 PolarHBondContact O-NZ 2.7Å
1441	E	85.8	Confident	87	Confident	94 Å²	94	53.9 Å²	53.9	44%	0.439	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-59.3	-175.7	-169.3	-163.4	148.8	0	0	111.3	R553 N1439 K1494	R553-E1441 IonicContact CZ-OE1 3.9Å; R553-E1441 IonicContact CZ-OE2 3.5Å; R553-E1441 IonicContact NH1-OE1 3.42Å; R553-E1441 PolarHBondContact NH1-OE1 3.1Å; R553-E1441 IonicContact NH1-OE2 3.23Å; R553-E1441 PolarHBondContact NH1-OE2 3.25Å; N1439-E1441 PolarHBondContact O-N 3.08Å; N1439-E1441 VanDerWaalsContact OD1-CB 3.27Å; N1439-E1441 WeakPolarHBondContact OD1-CB 3.39Å; N1439-E1441 PolarHBondContact OD1-N 3.37Å; N1439-E1441 VanDerWaalsContact OD1-N 3.14Å; E1441-K1494 PolarHBondContact O-NZ 3.46Å
1442	L	85.3	Confident	86.4	Confident	47 Å²	47	54.2 Å²	54.2	25%	0.246	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-15.8	-170.5	-59.5	-177.1	0	0	0	114.7	M1420 T1421 P1493 K1494	M1420-L1442 WeakPolarHBondContact O-CB 3.27Å; T1421-L1442 HydrophobicContact CG2-CD1 3.79Å; L1442-P1493 WeakPolarHBondContact O-CA 3.31Å; L1442-K1494 WeakPolarHBondContact O-CG 3.45Å; L1442-K1494 PolarHBondContact O-N 3.2Å
1443	V	90	Very high	85.7	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.012	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	162.5	179.5	-64.2	0	0	0	0	112.5	M1420 V1438 N1439 V1491 K1492 K1494	M1420-V1443 HydrophobicContact CB-CG1 3.7Å; M1420-V1443 HydrophobicContact CG-CG1 3.84Å; M1420-V1443 HydrophobicContact SD-CG1 3.96Å; V1438-V1443 HydrophobicContact CG1-CG2 3.56Å; N1439-V1443 WeakPolarHBondContact O-CG2 3.42Å; V1443-V1491 HydrophobicContact CB-CG1 3.79Å; V1443-V1491 HydrophobicContact CG1-CG1 4.19Å; V1443-V1491 HydrophobicContact CG2-CG1 3.92Å; V1443-K1492 CarbonylContact C-O 3.53Å; V1443-K1492 VanDerWaalsContact CA-O 3.27Å; V1443-K1492 WeakPolarHBondContact CA-O 3.49Å; V1443-K1492 WeakPolarHBondContact CB-O 3.41Å; V1443-K1494 VanDerWaalsContact O-CE 3.22Å; V1443-K1494 WeakPolarHBondContact O-CE 3.42Å
1444	E	89.2	Confident	85.4	Confident	63 Å²	63	52.3 Å²	52.3	29%	0.294	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	163.4	168.3	68.2	-172.3	125.5	0	0	111.2	V1491 K1492	E1444-V1491 WeakPolarHBondContact O-CA 3.48Å; E1444-K1492 HydrophobicContact CG-CD 4.5Å; E1444-K1492 HydrophobicContact CG-CG 4.22Å; E1444-K1492 PolarHBondContact N-O 3.28Å; E1444-K1492 PolarHBondContact O-N 2.66Å; E1444-K1492 VanDerWaalsContact O-N 3.16Å; E1444-K1492 WeakPolarHBondContact OE1-CE 3.27Å; E1444-K1492 IonicContact OE1-NZ 3.5Å; E1444-K1492 PolarHBondContact OE1-NZ 3.06Å
1445	V	91.4	Very high	85.2	Confident	16 Å²	16	54 Å²	54	10%	0.097	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	120.6	-173	-171	0	0	0	0	109.4	F1434 R1435 V1438 A1489 L1490 V1491	F1434-V1445 HydrophobicContact CD1-CG1 4.36Å; F1434-V1445 HydrophobicContact CE1-CG1 4.26Å; R1435-V1445 HydrophobicContact CG-CB 4.19Å; R1435-V1445 HydrophobicContact CG-CG1 4.42Å; R1435-V1445 HydrophobicContact CG-CG2 4.26Å; R1435-V1445 PolarHBondContact NH2-O 3.15Å; V1438-V1445 HydrophobicContact CB-CG2 4.05Å; V1438-V1445 HydrophobicContact CG1-CG2 3.84Å; V1438-V1445 HydrophobicContact CG2-CG2 3.81Å; V1445-A1489 HydrophobicContact CG1-CB 3.85Å; V1445-L1490 WeakPolarHBondContact CA-O 3.4Å; V1445-V1491 HydrophobicContact CG1-CG2 4.46Å; V1445-V1491 HydrophobicContact CG2-CG2 4.28Å
1446	L	89.1	Confident	85	Confident	41 Å²	41	50.3 Å²	50.3	22%	0.215	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	165.2	-176.9	-59	169.6	0	0	0	110.5	A1489 L1490 K1492 F1599	L1446-A1489 CarbonylContact O-C 3.51Å; L1446-A1489 WeakPolarHBondContact O-CA 3.47Å; L1446-L1490 PolarHBondContact N-O 3.21Å; L1446-L1490 PolarHBondContact O-N 3.13Å; L1446-K1492 HydrophobicContact CD1-CG 4.5Å; L1446-F1599 HydrophobicContact CD1-CD1 4.19Å; L1446-F1599 HydrophobicContact CD1-CE1 3.25Å; L1446-F1599 HydrophobicContact CD1-CZ 3.46Å; L1446-F1599 VanDerWaalsContact CD1-CZ 3.46Å
1447	S	86.1	Confident	84.8	Confident	51 Å²	51	46.5 Å²	46.5	36%	0.357	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	137.5	-179	-162.4	0	0	0	0	110.7	D1449 L1451	S1447-D1449 WeakPolarHBondContact CB-OD1 3.21Å; S1447-D1449 PolarHBondContact OG-OD1 2.85Å; S1447-L1451 VanDerWaalsContact O-CD1 3.32Å; S1447-L1451 WeakPolarHBondContact O-CD1 3.44Å
1448	V	83.5	Confident	84.9	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-79.3	-21.9	-177.5	175.3	0	0	0	0	113	Y1426 A1450 L1451 E1455 L1458 F1488 L1490	Y1426-V1448 HydrophobicContact CD1-CG2 3.99Å; Y1426-V1448 HydrophobicContact CE1-CG2 4.22Å; V1448-A1450 VanDerWaalsContact C-N 3.32Å; V1448-A1450 PolarHBondContact O-N 2.97Å; V1448-L1451 CarbonylContact O-C 3.42Å; V1448-L1451 WeakPolarHBondContact O-CA 3.33Å; V1448-L1451 WeakPolarHBondContact O-CB 3.35Å; V1448-L1451 PolarHBondContact O-N 3.09Å; V1448-E1455 HydrophobicContact CG1-CB 4.09Å; V1448-L1458 HydrophobicContact CG1-CD2 4.34Å; V1448-F1488 HydrophobicContact CB-CB 3.91Å; V1448-F1488 WeakPolarHBondContact CB-O 3.11Å; V1448-F1488 HydrophobicContact CG1-CB 4.44Å; V1448-F1488 HydrophobicContact CG2-CB 3.81Å; V1448-F1488 WeakPolarHBondContact CG2-O 3.44Å; V1448-F1488 PolarHBondContact N-O 2.85Å; V1448-L1490 HydrophobicContact CG2-CB 3.93Å
1449	D	75.6	Confident	84.8	Confident	85 Å²	85	47.5 Å²	47.5	46%	0.455	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-28	-180	64.4	-22.5	0	0	0	114.5	S1447 L1451 T1486	S1447-D1449 WeakPolarHBondContact CB-OD1 3.21Å; S1447-D1449 PolarHBondContact OG-OD1 2.85Å; D1449-L1451 PolarHBondContact O-N 3.15Å; D1449-T1486 HydrophobicContact CB-CG2 4.01Å
1450	A	70.3	Confident	84.9	Confident	60 Å²	60	48 Å²	48	50%	0.496	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-5	170.5	0	0	0	0	0	113.2	V1448 E1598	V1448-A1450 VanDerWaalsContact C-N 3.32Å; V1448-A1450 PolarHBondContact O-N 2.97Å; A1450-E1598 WeakPolarHBondContact CB-OE1 3.41Å
1451	L	76.8	Confident	85.1	Confident	13 Å²	13	43.8 Å²	43.8	7%	0.068	25%	0.246	C	C	.	.			trans	-123.4	63.2	-167	-66.9	174.2	0	0	0	112.7	S1447 V1448 D1449 I1453 H1454 E1455 L1490 E1598 F1599	S1447-L1451 VanDerWaalsContact O-CD1 3.32Å; S1447-L1451 WeakPolarHBondContact O-CD1 3.44Å; V1448-L1451 CarbonylContact O-C 3.42Å; V1448-L1451 WeakPolarHBondContact O-CA 3.33Å; V1448-L1451 WeakPolarHBondContact O-CB 3.35Å; V1448-L1451 PolarHBondContact O-N 3.09Å; D1449-L1451 PolarHBondContact O-N 3.15Å; L1451-I1453 PolarHBondContact O-N 2.95Å; L1451-H1454 HydrophobicContact CB-CB 3.98Å; L1451-H1454 WeakPolarHBondContact O-CA 3.2Å; L1451-H1454 WeakPolarHBondContact O-CB 3.46Å; L1451-H1454 PolarHBondContact O-N 2.74Å; L1451-E1455 PolarHBondContact O-N 3.04Å; L1451-L1490 HydrophobicContact CD1-CD2 3.82Å; L1451-E1598 WeakPolarHBondContact CD1-OE2 3.27Å; L1451-E1598 HydrophobicContact CD2-CB 3.83Å; L1451-E1598 HydrophobicContact CD2-CG 3.53Å; L1451-E1598 WeakPolarHBondContact CD2-OE2 3.41Å; L1451-E1598 HydrophobicContact CG-CG 4.34Å; L1451-E1598 WeakPolarHBondContact CG-OE2 3.39Å; L1451-F1599 HydrophobicContact CD1-CE2 3.86Å; L1451-F1599 HydrophobicContact CD1-CZ 3.89Å; L1451-F1599 HydrophobicContact CD2-CD2 4.41Å; L1451-F1599 HydrophobicContact CD2-CE2 3.66Å; L1451-F1599 HydrophobicContact CD2-CZ 4.46Å; L1451-F1599 HydrophobicContact CG-CE2 4.42Å
1452	A	75.1	Confident	85.6	Confident	69 Å²	69	39.3 Å²	39.3	57%	0.57	23%	0.225	S	C	*	.	H	α-helix	trans	-47.5	-29.2	-171.8	0	0	0	0	0	116.7	E1455 E1456	A1452-E1455 WeakPolarHBondContact O-CB 3.49Å; A1452-E1456 PolarHBondContact O-N 3.13Å
1453	I	73.7	Confident	86.2	Confident	53 Å²	53	39.9 Å²	39.9	27%	0.272	23%	0.231	S	C	.	.	H	α-helix	trans	-89.5	-28.2	179.3	-58.7	160.8	0	0	0	111.9	L1451 E1455 E1456 H1457 Y1539 T1594	L1451-I1453 PolarHBondContact O-N 2.95Å; I1453-E1455 VanDerWaalsContact C-N 3.32Å; I1453-E1456 PolarHBondContact O-N 3.09Å; I1453-H1457 WeakPolarHBondContact O-CB 3.44Å; I1453-H1457 PolarHBondContact O-N 3.06Å; I1453-Y1539 HydrophobicContact CD1-CD2 3.99Å; I1453-Y1539 HydrophobicContact CD1-CE2 4.08Å; I1453-Y1539 HydrophobicContact CG1-CE2 4.29Å; I1453-T1594 HydrophobicContact CB-CG2 3.69Å; I1453-T1594 HydrophobicContact CD1-CG2 3.99Å; I1453-T1594 HydrophobicContact CG1-CG2 4.45Å; I1453-T1594 HydrophobicContact CG2-CG2 3.3Å
1454	H	81.6	Confident	86.5	Confident	7 Å²	7	42.2 Å²	42.2	3%	0.032	24%	0.242	C	C	.	.	H	α-helix	trans	-71	-32.4	166.9	-73.3	-52	0	0	0	111.2	Y1426 L1451 L1458 L1490 F1599	Y1426-H1454 HydrophobicContact CE1-CB 4Å; Y1426-H1454 WeakPolarHBondContact OH-CB 3.16Å; Y1426-H1454 PolarHBondContact OH-ND1 3.27Å; Y1426-H1454 PolarHBondContact OH-O 3.42Å; L1451-H1454 HydrophobicContact CB-CB 3.98Å; L1451-H1454 WeakPolarHBondContact O-CA 3.2Å; L1451-H1454 WeakPolarHBondContact O-CB 3.46Å; L1451-H1454 PolarHBondContact O-N 2.74Å; H1454-L1458 WeakPolarHBondContact O-CB 3.48Å; H1454-L1458 PolarHBondContact O-N 2.97Å; H1454-L1490 HydrophobicContact CB-CD2 4.41Å; H1454-F1599 AromaticContact CD2-CE2 3.64Å; H1454-F1599 AromaticContact NE2-CD2 3.98Å; H1454-F1599 AromaticContact NE2-CE2 3.36Å; H1454-F1599 WeakPolarHBondContact NE2-CE2 3.39Å; H1454-F1599 AromaticContact NE2-CZ 3.96Å
1455	E	86.8	Confident	86.9	Confident	40 Å²	40	39.2 Å²	39.2	19%	0.187	23%	0.228	C	C	.	.	H	α-helix	trans	-56.9	-52.3	167.1	-174	-164.2	145.2	0	0	111	V1448 L1451 A1452 I1453 H1457 L1458 R1459 W1481 A1485	V1448-E1455 HydrophobicContact CG1-CB 4.09Å; L1451-E1455 PolarHBondContact O-N 3.04Å; A1452-E1455 WeakPolarHBondContact O-CB 3.49Å; I1453-E1455 VanDerWaalsContact C-N 3.32Å; E1455-H1457 PolarHBondContact O-N 3.15Å; E1455-L1458 PolarHBondContact O-N 3.28Å; E1455-R1459 PolarHBondContact O-N 3.23Å; E1455-R1459 IonicContact OE1-NH2 2.78Å; E1455-R1459 PolarHBondContact OE1-NH2 2.97Å; E1455-W1481 HydrophobicContact CG-CZ2 3.63Å; E1455-W1481 WeakPolarHBondContact O-CZ2 3.45Å; E1455-W1481 PolarHBondContact OE1-NE1 3.01Å; E1455-A1485 HydrophobicContact CG-CB 4.15Å
1456	E	87.1	Confident	87.2	Confident	100 Å²	100	39.6 Å²	39.6	47%	0.467	23%	0.23	S	C	.	.	H	α-helix	trans	-64.7	-39.6	179.2	-163.9	64.7	-129.2	0	0	112.8	A1452 I1453 R1459 G1460	A1452-E1456 PolarHBondContact O-N 3.13Å; I1453-E1456 PolarHBondContact O-N 3.09Å; E1456-R1459 WeakPolarHBondContact O-CB 3.4Å; E1456-R1459 PolarHBondContact O-N 2.92Å; E1456-R1459 IonicContact OE1-CZ 3.51Å; E1456-R1459 IonicContact OE1-NH1 2.79Å; E1456-R1459 PolarHBondContact OE1-NH1 2.86Å; E1456-R1459 IonicContact OE2-CZ 3.26Å; E1456-R1459 IonicContact OE2-NH1 3.59Å; E1456-R1459 PolarHBondContact OE2-NH1 3.46Å; E1456-R1459 IonicContact OE2-NH2 2.94Å; E1456-G1460 PolarHBondContact O-N 3.21Å
1457	H	86.7	Confident	87.6	Confident	64 Å²	64	45 Å²	45	30%	0.296	25%	0.254	S	S	.	.	H	α-helix	trans	-63.5	-41.8	175.7	173.3	-119.4	0	0	0	112.1	F1424 Y1426 I1453 E1455 R1459 G1460 L1461	F1424-H1457 AromaticContact CE2-CE1 3.77Å; F1424-H1457 AromaticContact CE2-ND1 3.99Å; F1424-H1457 AromaticContact CZ-CE1 3.67Å; Y1426-H1457 AromaticContact CE2-CE1 3.9Å; Y1426-H1457 AromaticContact CE2-ND1 3.49Å; Y1426-H1457 WeakPolarHBondContact CE2-ND1 3.22Å; Y1426-H1457 AromaticContact CZ-ND1 3.69Å; Y1426-H1457 PolarHBondContact OH-ND1 2.7Å; I1453-H1457 WeakPolarHBondContact O-CB 3.44Å; I1453-H1457 PolarHBondContact O-N 3.06Å; E1455-H1457 PolarHBondContact O-N 3.15Å; H1457-R1459 VanDerWaalsContact C-N 3.35Å; H1457-G1460 PolarHBondContact O-N 3.46Å; H1457-L1461 PolarHBondContact O-N 2.89Å
1458	L	92.4	Very high	88.1	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.7	-41.7	172.5	176.5	62.9	0	0	0	111.5	C1407 Y1426 V1448 H1454 E1455 G1460 L1461 I1462 W1481 F1488	C1407-L1458 WeakPolarHBondContact SG-CD1 3.09Å; Y1426-L1458 HydrophobicContact CD1-CD1 4.45Å; Y1426-L1458 HydrophobicContact CD1-CD2 4.45Å; Y1426-L1458 HydrophobicContact CD2-CB 4.31Å; Y1426-L1458 HydrophobicContact CD2-CD1 3.73Å; Y1426-L1458 HydrophobicContact CE2-CB 4.23Å; Y1426-L1458 HydrophobicContact CE2-CD1 4.45Å; Y1426-L1458 HydrophobicContact CG-CB 4.46Å; Y1426-L1458 HydrophobicContact CG-CD1 3.72Å; Y1426-L1458 HydrophobicContact CG-CD2 4.48Å; Y1426-L1458 HydrophobicContact CG-CG 4.43Å; V1448-L1458 HydrophobicContact CG1-CD2 4.34Å; H1454-L1458 WeakPolarHBondContact O-CB 3.48Å; H1454-L1458 PolarHBondContact O-N 2.97Å; E1455-L1458 PolarHBondContact O-N 3.28Å; L1458-G1460 VanDerWaalsContact C-N 3.3Å; L1458-G1460 PolarHBondContact O-N 3.31Å; L1458-L1461 PolarHBondContact O-N 3.01Å; L1458-I1462 HydrophobicContact CD1-CD1 3.8Å; L1458-I1462 HydrophobicContact CD1-CG1 4.23Å; L1458-I1462 HydrophobicContact CG-CD1 3.91Å; L1458-I1462 WeakPolarHBondContact O-CG1 3.36Å; L1458-I1462 PolarHBondContact O-N 3.3Å; L1458-W1481 HydrophobicContact CB-CH2 4.29Å; L1458-W1481 HydrophobicContact CD2-CH2 4.12Å; L1458-W1481 HydrophobicContact CG-CH2 3.91Å; L1458-F1488 HydrophobicContact CD1-CD1 4.4Å; L1458-F1488 HydrophobicContact CD1-CE1 4.18Å; L1458-F1488 HydrophobicContact CD2-CB 3.88Å; L1458-F1488 HydrophobicContact CD2-CD1 3.65Å; L1458-F1488 HydrophobicContact CD2-CD2 3.59Å; L1458-F1488 HydrophobicContact CD2-CE1 3.99Å; L1458-F1488 HydrophobicContact CD2-CE2 3.95Å; L1458-F1488 HydrophobicContact CD2-CG 3.43Å; L1458-F1488 VanDerWaalsContact CD2-CG 3.43Å; L1458-F1488 HydrophobicContact CD2-CZ 4.13Å
1459	R	92.7	Very high	88.7	Confident	71 Å²	71	45 Å²	45	27%	0.268	25%	0.249	S	C	.	.	H	α-helix	trans	-59.9	-41.2	175.3	-161	-173.8	-65.5	147.7	2.4	111.5	E1455 E1456 H1457 T1463 L1478 W1481	E1455-R1459 PolarHBondContact O-N 3.23Å; E1455-R1459 IonicContact OE1-NH2 2.78Å; E1455-R1459 PolarHBondContact OE1-NH2 2.97Å; E1456-R1459 WeakPolarHBondContact O-CB 3.4Å; E1456-R1459 PolarHBondContact O-N 2.92Å; E1456-R1459 IonicContact OE1-CZ 3.51Å; E1456-R1459 IonicContact OE1-NH1 2.79Å; E1456-R1459 PolarHBondContact OE1-NH1 2.86Å; E1456-R1459 IonicContact OE2-CZ 3.26Å; E1456-R1459 IonicContact OE2-NH1 3.59Å; E1456-R1459 PolarHBondContact OE2-NH1 3.46Å; E1456-R1459 IonicContact OE2-NH2 2.94Å; H1457-R1459 VanDerWaalsContact C-N 3.35Å; R1459-T1463 WeakPolarHBondContact O-CB 3.38Å; R1459-T1463 PolarHBondContact O-N 3.48Å; R1459-T1463 PolarHBondContact O-OG1 3.03Å; R1459-L1478 HydrophobicContact CG-CD2 3.73Å; R1459-W1481 VanDerWaalsContact CA-CH2 3.47Å; R1459-W1481 HydrophobicContact CB-CH2 3.62Å; R1459-W1481 HydrophobicContact CB-CZ2 3.72Å; R1459-W1481 HydrophobicContact CB-CZ3 4.08Å; R1459-W1481 HydrophobicContact CG-CD2 4.2Å; R1459-W1481 HydrophobicContact CG-CE3 4.1Å; R1459-W1481 HydrophobicContact CG-CH2 4.05Å; R1459-W1481 HydrophobicContact CG-CZ2 4.18Å; R1459-W1481 HydrophobicContact CG-CZ3 4.01Å; R1459-W1481 VanDerWaalsContact NH2-NE1 3.11Å
1460	G	93.3	Very high	89.6	Confident	34 Å²	34	43.1 Å²	43.1	35%	0.351	25%	0.249	S	C	.	.	H	α-helix	trans	-59.4	-51.3	173.1	0	0	0	0	0	113	E1456 H1457 L1458 I1462 T1463 E1464	E1456-G1460 PolarHBondContact O-N 3.21Å; H1457-G1460 PolarHBondContact O-N 3.46Å; L1458-G1460 VanDerWaalsContact C-N 3.3Å; L1458-G1460 PolarHBondContact O-N 3.31Å; G1460-I1462 VanDerWaalsContact C-N 3.34Å; G1460-I1462 PolarHBondContact O-N 3.14Å; G1460-T1463 WeakPolarHBondContact O-CB 3.38Å; G1460-T1463 PolarHBondContact O-N 3.36Å; G1460-T1463 VanDerWaalsContact O-N 3.13Å; G1460-E1464 PolarHBondContact O-N 3.49Å
1461	L	94.2	Very high	90.8	Very high	9 Å²	9	40.3 Å²	40.3	5%	0.047	23%	0.226	C	C	.	.	H	α-helix	trans	-58.9	-42.3	178.7	-71	171.6	0	0	0	112.7	I1387 V1389 I1405 Y1426 H1457 L1458 T1463 E1464 H1465	I1387-L1461 HydrophobicContact CG2-CD2 3.6Å; V1389-L1461 HydrophobicContact CG2-CB 4.21Å; I1405-L1461 HydrophobicContact CG2-CD1 3.86Å; Y1426-L1461 HydrophobicContact CD2-CD1 4.13Å; Y1426-L1461 HydrophobicContact CE2-CD1 4.02Å; H1457-L1461 PolarHBondContact O-N 2.89Å; L1458-L1461 PolarHBondContact O-N 3.01Å; L1461-T1463 VanDerWaalsContact C-N 3.33Å; L1461-E1464 PolarHBondContact O-N 2.98Å; L1461-H1465 WeakPolarHBondContact O-CB 3.22Å; L1461-H1465 PolarHBondContact O-N 3.25Å
1462	I	97.1	Very high	91.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-69.1	-34.9	178.3	-63.9	170.2	0	0	0	110.7	L1409 L1458 G1460 H1465 V1466 I1477 L1478 W1481 F1488	L1409-I1462 HydrophobicContact CD1-CG1 4.44Å; L1409-I1462 HydrophobicContact CD1-CG2 4.48Å; L1409-I1462 HydrophobicContact CD2-CD1 3.63Å; L1409-I1462 HydrophobicContact CD2-CG1 3.76Å; L1458-I1462 HydrophobicContact CD1-CD1 3.8Å; L1458-I1462 HydrophobicContact CD1-CG1 4.23Å; L1458-I1462 HydrophobicContact CG-CD1 3.91Å; L1458-I1462 WeakPolarHBondContact O-CG1 3.36Å; L1458-I1462 PolarHBondContact O-N 3.3Å; G1460-I1462 VanDerWaalsContact C-N 3.34Å; G1460-I1462 PolarHBondContact O-N 3.14Å; I1462-H1465 WeakPolarHBondContact O-CB 3.46Å; I1462-H1465 PolarHBondContact O-N 3.38Å; I1462-V1466 WeakPolarHBondContact O-CG2 3.43Å; I1462-V1466 PolarHBondContact O-N 3.17Å; I1462-I1477 HydrophobicContact CD1-CG2 4.06Å; I1462-L1478 HydrophobicContact CB-CD2 4.31Å; I1462-L1478 HydrophobicContact CG2-CD1 4.04Å; I1462-L1478 HydrophobicContact CG2-CD2 4.04Å; I1462-L1478 HydrophobicContact CG2-CG 3.78Å; I1462-W1481 HydrophobicContact CD1-CH2 4.26Å; I1462-W1481 HydrophobicContact CD1-CZ3 3.91Å; I1462-F1488 HydrophobicContact CD1-CE2 4.48Å; I1462-F1488 HydrophobicContact CD1-CZ 3.98Å
1463	T	97.5	Very high	92.5	Very high	60 Å²	60	43.9 Å²	43.9	37%	0.368	23%	0.23	S	C	.	.	H	α-helix	trans	-64	-44.4	174.6	-57.3	0	0	0	0	111.8	R1459 G1460 L1461 H1465 V1466 Q1467	R1459-T1463 WeakPolarHBondContact O-CB 3.38Å; R1459-T1463 PolarHBondContact O-N 3.48Å; R1459-T1463 PolarHBondContact O-OG1 3.03Å; G1460-T1463 WeakPolarHBondContact O-CB 3.38Å; G1460-T1463 PolarHBondContact O-N 3.36Å; G1460-T1463 VanDerWaalsContact O-N 3.13Å; L1461-T1463 VanDerWaalsContact C-N 3.33Å; T1463-H1465 VanDerWaalsContact C-N 3.35Å; T1463-V1466 PolarHBondContact O-N 3.32Å; T1463-Q1467 PolarHBondContact O-N 2.97Å
1464	E	96.3	Very high	93.6	Very high	50 Å²	50	41.3 Å²	41.3	23%	0.234	22%	0.217	C	C	.	.	H	α-helix	trans	-62.2	-41.7	173.4	-67.8	-174.8	152.5	0	0	111.7	R1368 Y1370 G1460 L1461 V1466 Q1467 H1468	R1368-E1464 IonicContact CZ-OE1 2.85Å; R1368-E1464 IonicContact CZ-OE2 2.77Å; R1368-E1464 IonicContact NH1-OE1 3.78Å; R1368-E1464 PolarHBondContact NH1-OE1 3.48Å; R1368-E1464 IonicContact NH1-OE2 3.11Å; R1368-E1464 PolarHBondContact NH1-OE2 3Å; R1368-E1464 IonicContact NH2-OE1 3.6Å; R1368-E1464 PolarHBondContact NH2-OE1 3.24Å; R1368-E1464 VanDerWaalsContact NH2-OE1 3.15Å; R1368-E1464 IonicContact NH2-OE2 3.28Å; Y1370-E1464 HydrophobicContact CE1-CB 3.86Å; Y1370-E1464 PolarHBondContact OH-OE2 3.47Å; G1460-E1464 PolarHBondContact O-N 3.49Å; L1461-E1464 PolarHBondContact O-N 2.98Å; E1464-V1466 PolarHBondContact O-N 3.29Å; E1464-Q1467 PolarHBondContact O-N 3.41Å; E1464-H1468 PolarHBondContact O-CD2 2.83Å; E1464-H1468 PolarHBondContact O-N 2.94Å
1465	H	97.8	Very high	94.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.9	-45.8	176.1	178.6	70.1	0	0	0	112.1	Y1370 V1389 E1391 L1461 I1462 T1463 H1468 T1469 S1471	Y1370-H1465 HydrophobicContact CD1-CB 3.87Å; V1389-H1465 HydrophobicContact CB-CB 3.8Å; V1389-H1465 HydrophobicContact CG1-CB 3.72Å; V1389-H1465 HydrophobicContact CG2-CB 4.03Å; E1391-H1465 IonicContact OE1-NE2 3.47Å; L1461-H1465 WeakPolarHBondContact O-CB 3.22Å; L1461-H1465 PolarHBondContact O-N 3.25Å; I1462-H1465 WeakPolarHBondContact O-CB 3.46Å; I1462-H1465 PolarHBondContact O-N 3.38Å; T1463-H1465 VanDerWaalsContact C-N 3.35Å; H1465-H1468 PolarHBondContact O-N 3.04Å; H1465-T1469 WeakPolarHBondContact O-CB 3.48Å; H1465-T1469 PolarHBondContact O-N 3.16Å; H1465-T1469 PolarHBondContact O-OG1 2.76Å; H1465-S1471 WeakPolarHBondContact NE2-CB 3.43Å
1466	V	97.7	Very high	94.7	Very high	25 Å²	25	48.1 Å²	48.1	15%	0.152	25%	0.249	C	C	.	.	H	α-helix	trans	-62.3	-44.5	174.9	172	0	0	0	0	111	I1462 T1463 E1464 H1468 G1470 E1475 L1478	I1462-V1466 WeakPolarHBondContact O-CG2 3.43Å; I1462-V1466 PolarHBondContact O-N 3.17Å; T1463-V1466 PolarHBondContact O-N 3.32Å; E1464-V1466 PolarHBondContact O-N 3.29Å; V1466-H1468 PolarHBondContact O-N 3.44Å; V1466-G1470 WeakPolarHBondContact O-CA 3.43Å; V1466-G1470 PolarHBondContact O-N 3.36Å; V1466-E1475 HydrophobicContact CG1-CG 3.74Å; V1466-E1475 HydrophobicContact CG2-CG 4.27Å; V1466-L1478 HydrophobicContact CG2-CD1 4.05Å
1467	Q	97.3	Very high	95.2	Very high	154 Å²	154	43.3 Å²	43.3	72%	0.72	23%	0.227	S	C	*	.	H	α-helix	trans	-58.9	-43.7	176.9	-82.7	-172.3	-24.7	0	0	113.4	T1463 E1464	T1463-Q1467 PolarHBondContact O-N 2.97Å; E1464-Q1467 PolarHBondContact O-N 3.41Å
1468	H	97.1	Very high	95.6	Very high	46 Å²	46	42.7 Å²	42.7	21%	0.213	23%	0.225	C	C	.	.	H	α-helix	trans	-82	-25.6	-176.2	-72.8	-64.9	0	0	0	114.1	L1337 A1339 Y1370 E1464 H1465 V1466	L1337-H1468 VanDerWaalsContact CD1-CE1 3.43Å; L1337-H1468 WeakPolarHBondContact CD1-CE1 3.39Å; A1339-H1468 HydrophobicContact CB-CB 4.1Å; Y1370-H1468 HydrophobicContact CD2-CB 3.99Å; Y1370-H1468 AromaticContact CD2-CD2 3.76Å; Y1370-H1468 AromaticContact CE2-CD2 3.46Å; Y1370-H1468 VanDerWaalsContact CE2-CD2 3.46Å; Y1370-H1468 WeakPolarHBondContact CE2-CD2 3.32Å; Y1370-H1468 HydrophobicContact CG-CB 4.26Å; Y1370-H1468 AromaticContact CZ-CD2 3.93Å; E1464-H1468 PolarHBondContact O-CD2 2.83Å; E1464-H1468 PolarHBondContact O-N 2.94Å; H1465-H1468 PolarHBondContact O-N 3.04Å; V1466-H1468 PolarHBondContact O-N 3.44Å
1469	T	96.7	Very high	95.8	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-116.1	-27.5	-172.9	67.4	0	0	0	0	114.9	R1341 A1372 H1465 S1471	R1341-T1469 WeakPolarHBondContact CB-O 3.29Å; R1341-T1469 WeakPolarHBondContact CD-O 3.48Å; A1372-T1469 HydrophobicContact CB-CG2 4.24Å; H1465-T1469 WeakPolarHBondContact O-CB 3.48Å; H1465-T1469 PolarHBondContact O-N 3.16Å; H1465-T1469 PolarHBondContact O-OG1 2.76Å; T1469-S1471 WeakPolarHBondContact OG1-CB 3.32Å; T1469-S1471 PolarHBondContact OG1-N 3.18Å; T1469-S1471 VanDerWaalsContact OG1-N 3.16Å
1470	G	94	Very high	95.9	Very high	45 Å²	45	47 Å²	47	46%	0.464	27%	0.265	S	S	.	.			trans	71.2	30.4	-166.4	0	0	0	0	0	113.4	V1466 Q1472	V1466-G1470 WeakPolarHBondContact O-CA 3.43Å; V1466-G1470 PolarHBondContact O-N 3.36Å; G1470-Q1472 PolarHBondContact O-N 2.95Å
1471	S	95.3	Very high	96	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.014	25%	0.252	C	S	.	.			trans	-60.9	113.6	-179.2	173.7	0	0	0	0	112.6	E1391 H1465 T1469 R1473 G1474 E1475	E1391-S1471 VanDerWaalsContact OE1-CB 3.31Å; E1391-S1471 WeakPolarHBondContact OE1-CB 3.35Å; E1391-S1471 PolarHBondContact OE1-OG 3.47Å; H1465-S1471 WeakPolarHBondContact NE2-CB 3.43Å; T1469-S1471 WeakPolarHBondContact OG1-CB 3.32Å; T1469-S1471 PolarHBondContact OG1-N 3.18Å; T1469-S1471 VanDerWaalsContact OG1-N 3.16Å; S1471-R1473 PolarHBondContact O-N 2.93Å; S1471-R1473 PolarHBondContact OG-N 3.21Å; S1471-G1474 PolarHBondContact O-N 2.77Å; S1471-G1474 PolarHBondContact OG-N 3.4Å; S1471-E1475 PolarHBondContact O-N 3.02Å
1472	Q	92.9	Very high	95.7	Very high	146 Å²	146	50.8 Å²	50.8	68%	0.682	28%	0.283	S	S	*	.	H	α-helix	trans	-61.2	-31.1	170.8	-69.1	-177.7	-11	0	0	112.3	G1470 E1475 E1476	G1470-Q1472 PolarHBondContact O-N 2.95Å; Q1472-E1475 PolarHBondContact O-N 2.66Å; Q1472-E1476 WeakPolarHBondContact O-CB 3.23Å; Q1472-E1476 PolarHBondContact O-N 3.25Å
1473	R	94.9	Very high	95.5	Very high	10 Å²	10	54.4 Å²	54.4	4%	0.038	31%	0.305	C	S	.	.	H	α-helix	trans	-69.5	-40.9	176.6	-176.7	56.4	165.7	179.1	-3.1	111.2	H1351 E1391 L1409 E1430 S1471 E1476 I1477	H1351-R1473 HydrophobicContact CB-CB 4.36Å; H1351-R1473 HydrophobicContact CB-CG 4Å; E1391-R1473 WeakPolarHBondContact OE2-CB 3.38Å; L1409-R1473 HydrophobicContact CB-CG 4.39Å; E1430-R1473 IonicContact OE1-CZ 3.79Å; E1430-R1473 IonicContact OE1-NH1 2.75Å; E1430-R1473 IonicContact OE1-NH2 2.79Å; E1430-R1473 PolarHBondContact OE1-NH2 3.19Å; E1430-R1473 IonicContact OE2-NH2 3.21Å; E1430-R1473 PolarHBondContact OE2-NH2 2.86Å; S1471-R1473 PolarHBondContact O-N 2.93Å; S1471-R1473 PolarHBondContact OG-N 3.21Å; R1473-E1476 WeakPolarHBondContact CD-OE2 3.38Å; R1473-E1476 IonicContact CZ-OE2 3.34Å; R1473-E1476 IonicContact NE-OE2 3.03Å; R1473-E1476 IonicContact NH1-OE1 2.93Å; R1473-E1476 IonicContact NH1-OE2 2.81Å; R1473-E1476 PolarHBondContact NH1-OE2 2.61Å; R1473-E1476 PolarHBondContact O-N 3.36Å; R1473-I1477 HydrophobicContact CG-CD1 4.06Å; R1473-I1477 WeakPolarHBondContact O-CD1 3.4Å; R1473-I1477 VanDerWaalsContact O-CG1 3.27Å; R1473-I1477 WeakPolarHBondContact O-CG1 3.36Å; R1473-I1477 PolarHBondContact O-N 3.2Å; R1473-I1477 VanDerWaalsContact O-N 3.08Å
1474	G	96	Very high	95.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.7	-44.1	171.9	0	0	0	0	0	112.1	S1471 I1477 L1478	S1471-G1474 PolarHBondContact O-N 2.77Å; S1471-G1474 PolarHBondContact OG-N 3.4Å; G1474-I1477 PolarHBondContact O-N 2.93Å; G1474-L1478 WeakPolarHBondContact O-CB 2.97Å; G1474-L1478 VanDerWaalsContact O-CG 3.29Å; G1474-L1478 WeakPolarHBondContact O-CG 3.01Å; G1474-L1478 PolarHBondContact O-N 3.27Å
1475	E	96.2	Very high	95	Very high	107 Å²	107	50 Å²	50	50%	0.5	28%	0.281	S	S	.	.	H	α-helix	trans	-61	-44.5	174.8	-70.8	-179.3	171.1	0	0	112.6	V1466 S1471 Q1472 I1477 L1478 A1479	V1466-E1475 HydrophobicContact CG1-CG 3.74Å; V1466-E1475 HydrophobicContact CG2-CG 4.27Å; S1471-E1475 PolarHBondContact O-N 3.02Å; Q1472-E1475 PolarHBondContact O-N 2.66Å; E1475-I1477 VanDerWaalsContact C-N 3.35Å; E1475-I1477 PolarHBondContact O-N 3.11Å; E1475-L1478 PolarHBondContact O-N 2.81Å; E1475-A1479 VanDerWaalsContact O-CB 3.25Å; E1475-A1479 WeakPolarHBondContact O-CB 3.42Å; E1475-A1479 PolarHBondContact O-N 3.07Å
1476	E	96.3	Very high	94.7	Very high	82 Å²	82	53.9 Å²	53.9	38%	0.383	31%	0.305	S	S	.	.	H	α-helix	trans	-58.6	-44.3	176.4	-178.4	-173.5	-157	0	0	112.1	Q1472 R1473 N1480 F1484	Q1472-E1476 WeakPolarHBondContact O-CB 3.23Å; Q1472-E1476 PolarHBondContact O-N 3.25Å; R1473-E1476 WeakPolarHBondContact CD-OE2 3.38Å; R1473-E1476 IonicContact CZ-OE2 3.34Å; R1473-E1476 IonicContact NE-OE2 3.03Å; R1473-E1476 IonicContact NH1-OE1 2.93Å; R1473-E1476 IonicContact NH1-OE2 2.81Å; R1473-E1476 PolarHBondContact NH1-OE2 2.61Å; R1473-E1476 PolarHBondContact O-N 3.36Å; E1476-N1480 PolarHBondContact O-N 3.47Å; E1476-N1480 VanDerWaalsContact O-N 3.16Å; E1476-N1480 PolarHBondContact O-ND2 2.68Å; E1476-F1484 HydrophobicContact CG-CE2 4.31Å; E1476-F1484 HydrophobicContact CG-CZ 4.41Å
1477	I	96.3	Very high	94.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-66.8	-45.6	179.2	-70.2	165.8	0	0	0	110.9	L1409 L1428 I1462 R1473 G1474 E1475 N1480 W1481 F1484 F1488	L1409-I1477 HydrophobicContact CB-CD1 3.95Å; L1409-I1477 HydrophobicContact CD1-CD1 4.38Å; L1409-I1477 HydrophobicContact CD2-CD1 4.19Å; L1409-I1477 HydrophobicContact CG-CD1 4.4Å; L1428-I1477 HydrophobicContact CD2-CD1 3.93Å; I1462-I1477 HydrophobicContact CD1-CG2 4.06Å; R1473-I1477 HydrophobicContact CG-CD1 4.06Å; R1473-I1477 WeakPolarHBondContact O-CD1 3.4Å; R1473-I1477 VanDerWaalsContact O-CG1 3.27Å; R1473-I1477 WeakPolarHBondContact O-CG1 3.36Å; R1473-I1477 PolarHBondContact O-N 3.2Å; R1473-I1477 VanDerWaalsContact O-N 3.08Å; G1474-I1477 PolarHBondContact O-N 2.93Å; E1475-I1477 VanDerWaalsContact C-N 3.35Å; E1475-I1477 PolarHBondContact O-N 3.11Å; I1477-N1480 CarbonylContact O-C 3.5Å; I1477-N1480 PolarHBondContact O-N 2.88Å; I1477-W1481 HydrophobicContact CG2-CE3 4.15Å; I1477-W1481 HydrophobicContact CG2-CZ3 4.02Å; I1477-W1481 VanDerWaalsContact O-CA 3.26Å; I1477-W1481 WeakPolarHBondContact O-CA 3.49Å; I1477-W1481 PolarHBondContact O-N 2.82Å; I1477-W1481 VanDerWaalsContact O-N 3.1Å; I1477-F1484 HydrophobicContact CB-CD2 4.38Å; I1477-F1484 HydrophobicContact CB-CG 4.33Å; I1477-F1484 HydrophobicContact CG1-CD1 3.9Å; I1477-F1484 HydrophobicContact CG1-CD2 4.21Å; I1477-F1484 HydrophobicContact CG1-CE1 4.04Å; I1477-F1484 HydrophobicContact CG1-CE2 4.33Å; I1477-F1484 HydrophobicContact CG1-CG 3.99Å; I1477-F1484 HydrophobicContact CG1-CZ 4.25Å; I1477-F1484 HydrophobicContact CG2-CB 3.92Å; I1477-F1484 HydrophobicContact CG2-CG 4.19Å; I1477-F1488 HydrophobicContact CG2-CE2 4.18Å; I1477-F1488 HydrophobicContact CG2-CZ 4.45Å
1478	L	96.1	Very high	94.5	Very high	50 Å²	50	49 Å²	49	26%	0.262	28%	0.279	S	S	.	.	H	α-helix	trans	-65.3	-38.8	177.7	-69.5	171.7	0	0	0	112.1	R1459 I1462 V1466 G1474 E1475 N1480 W1481	R1459-L1478 HydrophobicContact CG-CD2 3.73Å; I1462-L1478 HydrophobicContact CB-CD2 4.31Å; I1462-L1478 HydrophobicContact CG2-CD1 4.04Å; I1462-L1478 HydrophobicContact CG2-CD2 4.04Å; I1462-L1478 HydrophobicContact CG2-CG 3.78Å; V1466-L1478 HydrophobicContact CG2-CD1 4.05Å; G1474-L1478 WeakPolarHBondContact O-CB 2.97Å; G1474-L1478 VanDerWaalsContact O-CG 3.29Å; G1474-L1478 WeakPolarHBondContact O-CG 3.01Å; G1474-L1478 PolarHBondContact O-N 3.27Å; E1475-L1478 PolarHBondContact O-N 2.81Å; L1478-N1480 VanDerWaalsContact C-N 3.32Å; L1478-N1480 PolarHBondContact O-N 2.92Å; L1478-W1481 HydrophobicContact CD2-CE3 4.08Å; L1478-W1481 HydrophobicContact CD2-CZ3 4.11Å
1479	A	96.3	Very high	94.3	Very high	81 Å²	81	47.4 Å²	47.4	67%	0.669	27%	0.274	S	S	*	.	H	α-helix	trans	-66.9	-30.9	177.8	0	0	0	0	0	113.2	E1475	E1475-A1479 VanDerWaalsContact O-CB 3.25Å; E1475-A1479 WeakPolarHBondContact O-CB 3.42Å; E1475-A1479 PolarHBondContact O-N 3.07Å
1480	N	95.6	Very high	94.1	Very high	82 Å²	82	47.2 Å²	47.2	44%	0.439	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	32.1	-177.7	-60.3	-79.5	0	0	0	112.3	E1476 I1477 L1478 S1482 T1483 F1484	E1476-N1480 PolarHBondContact O-N 3.47Å; E1476-N1480 VanDerWaalsContact O-N 3.16Å; E1476-N1480 PolarHBondContact O-ND2 2.68Å; I1477-N1480 CarbonylContact O-C 3.5Å; I1477-N1480 PolarHBondContact O-N 2.88Å; L1478-N1480 VanDerWaalsContact C-N 3.32Å; L1478-N1480 PolarHBondContact O-N 2.92Å; N1480-S1482 VanDerWaalsContact C-N 3.32Å; N1480-S1482 PolarHBondContact O-N 2.9Å; N1480-S1482 VanDerWaalsContact O-N 3.11Å; N1480-T1483 PolarHBondContact O-N 3.05Å; N1480-F1484 HydrophobicContact CB-CD2 3.84Å; N1480-F1484 HydrophobicContact CB-CE2 3.9Å; N1480-F1484 PolarHBondContact O-N 2.64Å
1481	W	94.2	Very high	94.1	Very high	23 Å²	23	45.1 Å²	45.1	9%	0.087	25%	0.251	C	S	.	.	H	α-helix	trans	-48.9	-45.8	-165.4	-175.1	-97.2	0	0	0	114.9	E1455 L1458 R1459 I1462 I1477 L1478 T1483 F1484 A1485	E1455-W1481 HydrophobicContact CG-CZ2 3.63Å; E1455-W1481 WeakPolarHBondContact O-CZ2 3.45Å; E1455-W1481 PolarHBondContact OE1-NE1 3.01Å; L1458-W1481 HydrophobicContact CB-CH2 4.29Å; L1458-W1481 HydrophobicContact CD2-CH2 4.12Å; L1458-W1481 HydrophobicContact CG-CH2 3.91Å; R1459-W1481 VanDerWaalsContact CA-CH2 3.47Å; R1459-W1481 HydrophobicContact CB-CH2 3.62Å; R1459-W1481 HydrophobicContact CB-CZ2 3.72Å; R1459-W1481 HydrophobicContact CB-CZ3 4.08Å; R1459-W1481 HydrophobicContact CG-CD2 4.2Å; R1459-W1481 HydrophobicContact CG-CE3 4.1Å; R1459-W1481 HydrophobicContact CG-CH2 4.05Å; R1459-W1481 HydrophobicContact CG-CZ2 4.18Å; R1459-W1481 HydrophobicContact CG-CZ3 4.01Å; R1459-W1481 VanDerWaalsContact NH2-NE1 3.11Å; I1462-W1481 HydrophobicContact CD1-CH2 4.26Å; I1462-W1481 HydrophobicContact CD1-CZ3 3.91Å; I1477-W1481 HydrophobicContact CG2-CE3 4.15Å; I1477-W1481 HydrophobicContact CG2-CZ3 4.02Å; I1477-W1481 VanDerWaalsContact O-CA 3.26Å; I1477-W1481 WeakPolarHBondContact O-CA 3.49Å; I1477-W1481 PolarHBondContact O-N 2.82Å; I1477-W1481 VanDerWaalsContact O-N 3.1Å; L1478-W1481 HydrophobicContact CD2-CE3 4.08Å; L1478-W1481 HydrophobicContact CD2-CZ3 4.11Å; W1481-T1483 PolarHBondContact O-N 2.68Å; W1481-T1483 VanDerWaalsContact O-N 3.09Å; W1481-F1484 PolarHBondContact O-N 2.63Å; W1481-F1484 VanDerWaalsContact O-N 3.11Å; W1481-A1485 HydrophobicContact CZ2-CB 4.42Å; W1481-A1485 WeakPolarHBondContact O-CB 3.36Å; W1481-A1485 PolarHBondContact O-N 3.25Å
1482	S	89.2	Confident	93.7	Very high	98 Å²	98	45.6 Å²	45.6	69%	0.685	25%	0.253	S	S	*	.	H	α-helix	trans	-60.6	-20.7	-179	55.6	0	0	0	0	114.6	N1480	N1480-S1482 VanDerWaalsContact C-N 3.32Å; N1480-S1482 PolarHBondContact O-N 2.9Å; N1480-S1482 VanDerWaalsContact O-N 3.11Å
1483	T	92.2	Very high	93.2	Very high	77 Å²	77	38.7 Å²	38.7	47%	0.472	22%	0.221	S	C	.	.	H	α-helix	trans	-97.1	-25.9	177.4	-57.2	0	0	0	0	112.6	N1480 W1481 T1486 K1487	N1480-T1483 PolarHBondContact O-N 3.05Å; W1481-T1483 PolarHBondContact O-N 2.68Å; W1481-T1483 VanDerWaalsContact O-N 3.09Å; T1483-T1486 PolarHBondContact O-OG1 3.02Å; T1483-K1487 WeakPolarHBondContact O-CE 3.46Å
1484	F	93.4	Very high	92.2	Very high	14 Å²	14	42.7 Å²	42.7	6%	0.061	24%	0.238	C	C	.	.	H	α-helix	trans	-88.3	-35.5	178.3	-80.4	-78.7	0	0	0	112.6	L1428 E1476 I1477 N1480 W1481 T1486 K1487 F1488	L1428-F1484 HydrophobicContact CD1-CD1 3.94Å; L1428-F1484 HydrophobicContact CD2-CD1 4.06Å; L1428-F1484 HydrophobicContact CD2-CE1 4.19Å; E1476-F1484 HydrophobicContact CG-CE2 4.31Å; E1476-F1484 HydrophobicContact CG-CZ 4.41Å; I1477-F1484 HydrophobicContact CB-CD2 4.38Å; I1477-F1484 HydrophobicContact CB-CG 4.33Å; I1477-F1484 HydrophobicContact CG1-CD1 3.9Å; I1477-F1484 HydrophobicContact CG1-CD2 4.21Å; I1477-F1484 HydrophobicContact CG1-CE1 4.04Å; I1477-F1484 HydrophobicContact CG1-CE2 4.33Å; I1477-F1484 HydrophobicContact CG1-CG 3.99Å; I1477-F1484 HydrophobicContact CG1-CZ 4.25Å; I1477-F1484 HydrophobicContact CG2-CB 3.92Å; I1477-F1484 HydrophobicContact CG2-CG 4.19Å; N1480-F1484 HydrophobicContact CB-CD2 3.84Å; N1480-F1484 HydrophobicContact CB-CE2 3.9Å; N1480-F1484 PolarHBondContact O-N 2.64Å; W1481-F1484 PolarHBondContact O-N 2.63Å; W1481-F1484 VanDerWaalsContact O-N 3.11Å; F1484-T1486 VanDerWaalsContact C-N 3.26Å; F1484-T1486 PolarHBondContact O-N 3.01Å; F1484-K1487 WeakPolarHBondContact O-CA 3.39Å; F1484-K1487 WeakPolarHBondContact O-CB 3.44Å; F1484-K1487 PolarHBondContact O-N 3.26Å; F1484-F1488 HydrophobicContact CB-CE2 4.35Å; F1484-F1488 WeakPolarHBondContact O-CD2 3.12Å
1485	A	90.1	Very high	90.5	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.033	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-53.4	-41.9	178.6	0	0	0	0	0	112.6	E1455 W1481 K1487 F1488	E1455-A1485 HydrophobicContact CG-CB 4.15Å; W1481-A1485 HydrophobicContact CZ2-CB 4.42Å; W1481-A1485 WeakPolarHBondContact O-CB 3.36Å; W1481-A1485 PolarHBondContact O-N 3.25Å; A1485-K1487 PolarHBondContact O-N 3.06Å; A1485-K1487 VanDerWaalsContact O-N 3.16Å; A1485-F1488 PolarHBondContact O-N 2.74Å
1486	T	91.5	Very high	88.7	Confident	80 Å²	80	42.7 Å²	42.7	49%	0.491	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-71.3	-3.1	177.7	64.2	0	0	0	0	114.7	D1449 T1483 F1484	D1449-T1486 HydrophobicContact CB-CG2 4.01Å; T1483-T1486 PolarHBondContact O-OG1 3.02Å; F1484-T1486 VanDerWaalsContact C-N 3.26Å; F1484-T1486 PolarHBondContact O-N 3.01Å
1487	K	94.4	Very high	87.2	Confident	73 Å²	73	42.2 Å²	42.2	32%	0.317	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-108.5	-1.9	176.4	-58.1	179.1	-175.9	178.8	0	112.5	L1428 D1429 E1430 T1483 F1484 A1485	L1428-K1487 HydrophobicContact CD1-CB 3.66Å; D1429-K1487 PolarHBondContact N-O 2.88Å; E1430-K1487 HydrophobicContact CG-CD 4.27Å; T1483-K1487 WeakPolarHBondContact O-CE 3.46Å; F1484-K1487 WeakPolarHBondContact O-CA 3.39Å; F1484-K1487 WeakPolarHBondContact O-CB 3.44Å; F1484-K1487 PolarHBondContact O-N 3.26Å; A1485-K1487 PolarHBondContact O-N 3.06Å; A1485-K1487 VanDerWaalsContact O-N 3.16Å
1488	F	95	Very high	86	Confident	3 Å²	3	45.2 Å²	45.2	1%	0.013	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	129.1	175.9	-81	-84.2	0	0	0	111.2	L1409 V1427 L1428 V1448 L1458 I1462 I1477 F1484 A1485	L1409-F1488 HydrophobicContact CD2-CE1 4.1Å; L1409-F1488 HydrophobicContact CD2-CZ 3.93Å; V1427-F1488 WeakPolarHBondContact O-CA 3.17Å; L1428-F1488 HydrophobicContact CB-CD1 4.06Å; L1428-F1488 HydrophobicContact CB-CE1 3.62Å; L1428-F1488 HydrophobicContact CB-CZ 3.9Å; L1428-F1488 HydrophobicContact CD1-CD2 4.25Å; L1428-F1488 HydrophobicContact CD1-CE2 4.06Å; L1428-F1488 HydrophobicContact CD1-CZ 4.21Å; L1428-F1488 HydrophobicContact CD2-CZ 4.45Å; L1428-F1488 HydrophobicContact CG-CZ 4.4Å; V1448-F1488 HydrophobicContact CB-CB 3.91Å; V1448-F1488 WeakPolarHBondContact CB-O 3.11Å; V1448-F1488 HydrophobicContact CG1-CB 4.44Å; V1448-F1488 HydrophobicContact CG2-CB 3.81Å; V1448-F1488 WeakPolarHBondContact CG2-O 3.44Å; V1448-F1488 PolarHBondContact N-O 2.85Å; L1458-F1488 HydrophobicContact CD1-CD1 4.4Å; L1458-F1488 HydrophobicContact CD1-CE1 4.18Å; L1458-F1488 HydrophobicContact CD2-CB 3.88Å; L1458-F1488 HydrophobicContact CD2-CD1 3.65Å; L1458-F1488 HydrophobicContact CD2-CD2 3.59Å; L1458-F1488 HydrophobicContact CD2-CE1 3.99Å; L1458-F1488 HydrophobicContact CD2-CE2 3.95Å; L1458-F1488 HydrophobicContact CD2-CG 3.43Å; L1458-F1488 VanDerWaalsContact CD2-CG 3.43Å; L1458-F1488 HydrophobicContact CD2-CZ 4.13Å; I1462-F1488 HydrophobicContact CD1-CE2 4.48Å; I1462-F1488 HydrophobicContact CD1-CZ 3.98Å; I1477-F1488 HydrophobicContact CG2-CE2 4.18Å; I1477-F1488 HydrophobicContact CG2-CZ 4.45Å; F1484-F1488 HydrophobicContact CB-CE2 4.35Å; F1484-F1488 WeakPolarHBondContact O-CD2 3.12Å; A1485-F1488 PolarHBondContact O-N 2.74Å
1489	A	93.9	Very high	84.9	Confident	13 Å²	13	46 Å²	46	11%	0.107	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	143.1	166.5	0	0	0	0	0	110.2	Y1426 V1427 F1434 V1445 L1446	Y1426-A1489 WeakPolarHBondContact CA-O 3.45Å; V1427-A1489 PolarHBondContact N-O 3.05Å; V1427-A1489 PolarHBondContact O-N 3.18Å; F1434-A1489 HydrophobicContact CD1-CB 3.92Å; F1434-A1489 HydrophobicContact CE1-CB 4.12Å; V1445-A1489 HydrophobicContact CG1-CB 3.85Å; L1446-A1489 CarbonylContact O-C 3.51Å; L1446-A1489 WeakPolarHBondContact O-CA 3.47Å
1490	L	92.9	Very high	84	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	123.1	169.5	173.1	54	0	0	0	109.1	F1424 A1425 Y1426 V1445 L1446 V1448 L1451 H1454 F1599	F1424-L1490 HydrophobicContact CB-CD1 3.99Å; F1424-L1490 HydrophobicContact CD2-CD1 3.81Å; F1424-L1490 HydrophobicContact CG-CD1 4.26Å; A1425-L1490 WeakPolarHBondContact O-CA 3.2Å; A1425-L1490 WeakPolarHBondContact O-CD1 3.15Å; Y1426-L1490 HydrophobicContact CD1-CB 4.34Å; Y1426-L1490 HydrophobicContact CD1-CD1 3.98Å; Y1426-L1490 HydrophobicContact CE1-CB 4.38Å; Y1426-L1490 HydrophobicContact CE1-CD1 3.79Å; Y1426-L1490 HydrophobicContact CE1-CD2 4.24Å; Y1426-L1490 HydrophobicContact CE1-CG 4.37Å; V1445-L1490 WeakPolarHBondContact CA-O 3.4Å; L1446-L1490 PolarHBondContact N-O 3.21Å; L1446-L1490 PolarHBondContact O-N 3.13Å; V1448-L1490 HydrophobicContact CG2-CB 3.93Å; L1451-L1490 HydrophobicContact CD1-CD2 3.82Å; H1454-L1490 HydrophobicContact CB-CD2 4.41Å; L1490-F1599 HydrophobicContact CD2-CE2 4.34Å; L1490-F1599 HydrophobicContact CD2-CZ 3.64Å
1491	V	93.6	Very high	83.3	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.9	173.9	-172.7	0	0	0	0	109.7	F1416 F1424 A1425 F1434 V1443 E1444 V1445	F1416-V1491 HydrophobicContact CD1-CG1 4.31Å; F1416-V1491 HydrophobicContact CD1-CG2 4.26Å; F1416-V1491 HydrophobicContact CE1-CB 3.94Å; F1416-V1491 HydrophobicContact CE1-CG1 3.96Å; F1416-V1491 HydrophobicContact CE1-CG2 3.81Å; F1424-V1491 WeakPolarHBondContact CA-O 3.45Å; F1424-V1491 WeakPolarHBondContact CB-O 3.26Å; A1425-V1491 PolarHBondContact N-O 2.85Å; A1425-V1491 PolarHBondContact O-N 3Å; F1434-V1491 HydrophobicContact CE1-CG2 3.47Å; F1434-V1491 VanDerWaalsContact CE1-CG2 3.47Å; F1434-V1491 HydrophobicContact CZ-CG2 3.66Å; V1443-V1491 HydrophobicContact CB-CG1 3.79Å; V1443-V1491 HydrophobicContact CG1-CG1 4.19Å; V1443-V1491 HydrophobicContact CG2-CG1 3.92Å; E1444-V1491 WeakPolarHBondContact O-CA 3.48Å; V1445-V1491 HydrophobicContact CG1-CG2 4.46Å; V1445-V1491 HydrophobicContact CG2-CG2 4.28Å
1492	K	86.6	Confident	82.7	Confident	12 Å²	12	43.3 Å²	43.3	5%	0.052	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	155.7	177	64.4	122	-172	151.5	0	112.7	F1424 V1443 E1444 L1446 S1496 D1497 F1599	F1424-K1492 HydrophobicContact CB-CB 4.27Å; V1443-K1492 CarbonylContact C-O 3.53Å; V1443-K1492 VanDerWaalsContact CA-O 3.27Å; V1443-K1492 WeakPolarHBondContact CA-O 3.49Å; V1443-K1492 WeakPolarHBondContact CB-O 3.41Å; E1444-K1492 HydrophobicContact CG-CD 4.5Å; E1444-K1492 HydrophobicContact CG-CG 4.22Å; E1444-K1492 PolarHBondContact N-O 3.28Å; E1444-K1492 PolarHBondContact O-N 2.66Å; E1444-K1492 VanDerWaalsContact O-N 3.16Å; E1444-K1492 WeakPolarHBondContact OE1-CE 3.27Å; E1444-K1492 IonicContact OE1-NZ 3.5Å; E1444-K1492 PolarHBondContact OE1-NZ 3.06Å; L1446-K1492 HydrophobicContact CD1-CG 4.5Å; K1492-S1496 VanDerWaalsContact CD-OG 3.29Å; K1492-S1496 WeakPolarHBondContact CD-OG 3.45Å; K1492-D1497 IonicContact NZ-OD1 2.69Å; K1492-D1497 PolarHBondContact NZ-OD1 3.32Å; K1492-F1599 HydrophobicContact CD-CD1 3.74Å; K1492-F1599 HydrophobicContact CD-CE1 3.59Å; K1492-F1599 VanDerWaalsContact CE-CD1 3.49Å; K1492-F1599 HydrophobicContact CG-CD1 4.48Å; K1492-F1599 HydrophobicContact CG-CE1 3.83Å
1493	P	82.9	Confident	82.6	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.013	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	140.9	174.8	-15.6	28.1	0	0	0	112.8	M1420 T1421 G1423 L1442 S1495 S1496	M1420-P1493 HydrophobicContact CG-CG 4.27Å; T1421-P1493 VanDerWaalsContact C-CG 3.43Å; G1423-P1493 WeakPolarHBondContact O-CD 3.35Å; L1442-P1493 WeakPolarHBondContact O-CA 3.31Å; P1493-S1495 VanDerWaalsContact CB-OG 3.3Å; P1493-S1495 WeakPolarHBondContact CB-OG 3.41Å; P1493-S1495 PolarHBondContact O-N 3.11Å; P1493-S1496 WeakPolarHBondContact O-CB 3.39Å; P1493-S1496 PolarHBondContact O-N 2.98Å; P1493-S1496 PolarHBondContact O-OG 2.87Å
1494	K	73.7	Confident	82.4	Confident	93 Å²	93	40.3 Å²	40.3	40%	0.404	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-63.3	-22.8	172.5	-62.9	170.7	-172.2	168.6	0	113.1	P1440 E1441 L1442 V1443 S1496	P1440-K1494 PolarHBondContact O-NZ 2.7Å; E1441-K1494 PolarHBondContact O-NZ 3.46Å; L1442-K1494 WeakPolarHBondContact O-CG 3.45Å; L1442-K1494 PolarHBondContact O-N 3.2Å; V1443-K1494 VanDerWaalsContact O-CE 3.22Å; V1443-K1494 WeakPolarHBondContact O-CE 3.42Å; K1494-S1496 PolarHBondContact O-N 3.39Å
1495	S	60.9	Low	82.2	Confident	67 Å²	67	42.9 Å²	42.9	47%	0.469	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-66.1	-10.7	175.3	40.8	0	0	0	0	114.4	T1421 P1493	T1421-S1495 PolarHBondContact O-OG 2.55Å; P1493-S1495 VanDerWaalsContact CB-OG 3.3Å; P1493-S1495 WeakPolarHBondContact CB-OG 3.41Å; P1493-S1495 PolarHBondContact O-N 3.11Å
1496	S	58.4	Low	82.1	Confident	40 Å²	40	46.3 Å²	46.3	28%	0.28	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-91.1	10.9	-175.6	66.1	0	0	0	0	114.9	K1492 P1493 K1494 R1531	K1492-S1496 VanDerWaalsContact CD-OG 3.29Å; K1492-S1496 WeakPolarHBondContact CD-OG 3.45Å; P1493-S1496 WeakPolarHBondContact O-CB 3.39Å; P1493-S1496 PolarHBondContact O-N 2.98Å; P1493-S1496 PolarHBondContact O-OG 2.87Å; K1494-S1496 PolarHBondContact O-N 3.39Å; S1496-R1531 PolarHBondContact O-NE 3.16Å; S1496-R1531 PolarHBondContact O-NH2 2.99Å
1497	D	63.4	Low	81.9	Confident	73 Å²	73	50.1 Å²	50.1	39%	0.39	26%	0.261	S	S	.	.			trans	-71.9	155.2	-173.5	-72.5	-13.7	0	0	0	114.6	K1492 V1499 Q1528	K1492-D1497 IonicContact NZ-OD1 2.69Å; K1492-D1497 PolarHBondContact NZ-OD1 3.32Å; D1497-V1499 PolarHBondContact O-N 2.86Å; D1497-Q1528 PolarHBondContact O-NE2 3.45Å; D1497-Q1528 VanDerWaalsContact O-NE2 3.15Å
1498	R	70.7	Confident	81.7	Confident	63 Å²	63	49.1 Å²	49.1	24%	0.238	26%	0.258	C	S	.	.			trans	-65.1	123.4	174.9	-179.4	-174.5	167.3	114.8	-0	110.1	D1500 E1590 A1601 T1603	R1498-D1500 IonicContact CZ-OD1 3.5Å; R1498-D1500 IonicContact NE-OD1 3.44Å; R1498-D1500 PolarHBondContact NE-OD1 2.76Å; R1498-D1500 IonicContact NE-OD2 3.84Å; R1498-D1500 IonicContact NH2-OD1 2.71Å; R1498-D1500 PolarHBondContact NH2-OD1 2.81Å; R1498-E1590 IonicContact CZ-OE2 2.84Å; R1498-E1590 VanDerWaalsContact CZ-OE2 3.24Å; R1498-E1590 IonicContact NH1-OE2 3.56Å; R1498-E1590 PolarHBondContact NH1-OE2 3.18Å; R1498-E1590 IonicContact NH2-OE2 3.61Å; R1498-E1590 PolarHBondContact NH2-OE2 2.94Å; R1498-A1601 WeakPolarHBondContact CD-O 3.38Å; R1498-A1601 PolarHBondContact NH1-O 2.93Å; R1498-A1601 VanDerWaalsContact NH1-O 3.11Å; R1498-T1603 HydrophobicContact CG-CG2 3.93Å
1499	V	73.2	Confident	81.5	Confident	66 Å²	66	50 Å²	50	40%	0.4	26%	0.261	S	S	.	.			trans	-110.2	109	170.6	-178.6	0	0	0	0	108.5	D1497 F1520 Q1528	D1497-V1499 PolarHBondContact O-N 2.86Å; V1499-F1520 WeakPolarHBondContact O-CZ 3.42Å; V1499-Q1528 HydrophobicContact CB-CG 4.42Å
1500	D	78.3	Confident	81.4	Confident	73 Å²	73	53.3 Å²	53.3	39%	0.39	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-69	149.1	166.3	-83.1	-51.4	0	0	0	110.2	R1498 R1815	R1498-D1500 IonicContact CZ-OD1 3.5Å; R1498-D1500 IonicContact NE-OD1 3.44Å; R1498-D1500 PolarHBondContact NE-OD1 2.76Å; R1498-D1500 IonicContact NE-OD2 3.84Å; R1498-D1500 IonicContact NH2-OD1 2.71Å; R1498-D1500 PolarHBondContact NH2-OD1 2.81Å; D1500-R1815 IonicContact OD1-CZ 2.61Å; D1500-R1815 IonicContact OD1-NH2 3.85Å; D1500-R1815 PolarHBondContact OD1-NH2 2.95Å
1501	P	79.8	Confident	81.2	Confident	7 Å²	7	59 Å²	59	5%	0.045	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-63.4	156.3	179.2	24.8	-34.3	0	0	0	112.7	K1503 Y1517 E1518 F1520 N1606	P1501-K1503 PolarHBondContact O-N 3.22Å; P1501-Y1517 HydrophobicContact CB-CD1 4.48Å; P1501-Y1517 HydrophobicContact CG-CD1 3.78Å; P1501-Y1517 HydrophobicContact CG-CE1 4.37Å; P1501-Y1517 HydrophobicContact CG-CG 4.28Å; P1501-E1518 VanDerWaalsContact CB-O 3.32Å; P1501-E1518 WeakPolarHBondContact CB-O 3.15Å; P1501-F1520 HydrophobicContact CB-CD1 4.1Å; P1501-F1520 HydrophobicContact CB-CE1 3.89Å; P1501-F1520 HydrophobicContact CB-CZ 4.4Å; P1501-N1606 WeakPolarHBondContact CD-ND2 3.42Å; P1501-N1606 HydrophobicContact CG-CB 4.37Å; P1501-N1606 WeakPolarHBondContact CG-ND2 3.39Å
1502	P	81.9	Confident	81	Confident	50 Å²	50	63.2 Å²	63.2	33%	0.325	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-56.9	134.1	179.1	-20.8	31.7	0	0	0	111.8	Y1517 E1518	P1502-Y1517 WeakPolarHBondContact O-CA 3.39Å; P1502-E1518 HydrophobicContact CB-CB 4.24Å; P1502-E1518 HydrophobicContact CB-CG 4.5Å; P1502-E1518 WeakPolarHBondContact CB-OE2 3.07Å; P1502-E1518 HydrophobicContact CG-CB 4.47Å; P1502-E1518 PolarHBondContact O-N 3.24Å
1503	K	88.2	Confident	81.3	Confident	62 Å²	62	64.4 Å²	64.4	27%	0.27	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-90.4	139.3	168.4	-65.1	-168.7	-168.7	-168.1	0	109.9	P1501 I1516 Y1517 N1819 E1822	P1501-K1503 PolarHBondContact O-N 3.22Å; K1503-I1516 CarbonylContact C-O 3.56Å; K1503-I1516 WeakPolarHBondContact CA-O 3.47Å; K1503-Y1517 HydrophobicContact CD-CE1 4.11Å; K1503-Y1517 WeakPolarHBondContact CE-OH 3.21Å; K1503-Y1517 HydrophobicContact CG-CD1 3.81Å; K1503-Y1517 HydrophobicContact CG-CE1 3.48Å; K1503-Y1517 VanDerWaalsContact CG-CE1 3.48Å; K1503-N1819 PolarHBondContact NZ-OD1 3.16Å; K1503-E1822 IonicContact NZ-OE1 2.92Å; K1503-E1822 PolarHBondContact NZ-OE1 3.07Å; K1503-E1822 IonicContact NZ-OE2 3.81Å; K1503-E1822 PolarHBondContact NZ-OE2 3.48Å
1504	K	88.5	Confident	81.7	Confident	49 Å²	49	66.3 Å²	66.3	21%	0.213	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-56.9	146.5	167.5	-67.1	-170.4	-179.8	176.6	0	110.7	I1508 R1509 V1514 E1515 I1516 E1518	K1504-I1508 HydrophobicContact CB-CG2 4.38Å; K1504-I1508 HydrophobicContact CD-CG2 4.22Å; K1504-R1509 HydrophobicContact CB-CG 4.13Å; K1504-R1509 VanDerWaalsContact O-CD 3.31Å; K1504-R1509 WeakPolarHBondContact O-CD 3.16Å; K1504-R1509 WeakPolarHBondContact O-CG 3.49Å; K1504-R1509 PolarHBondContact O-NE 3.49Å; K1504-V1514 HydrophobicContact CD-CG2 4.1Å; K1504-V1514 VanDerWaalsContact NZ-CG2 3.28Å; K1504-E1515 WeakPolarHBondContact CD-O 3.48Å; K1504-E1515 VanDerWaalsContact CE-O 3.22Å; K1504-E1515 WeakPolarHBondContact CE-O 3.47Å; K1504-E1515 PolarHBondContact NZ-O 3.44Å; K1504-I1516 PolarHBondContact N-O 3.31Å; K1504-E1518 HydrophobicContact CG-CG 4.43Å
1505	P	88.4	Confident	82.6	Confident	68 Å²	68	62.4 Å²	62.4	44%	0.442	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-51.2	142.6	177.7	-29.7	34.9	0	0	0	113.3	K1507 I1508 R1509	P1505-K1507 HydrophobicContact CB-CG 4Å; P1505-K1507 PolarHBondContact O-N 3.26Å; P1505-K1507 VanDerWaalsContact O-N 3.11Å; P1505-I1508 HydrophobicContact CG-CD1 4.46Å; P1505-I1508 WeakPolarHBondContact O-CB 3.39Å; P1505-I1508 PolarHBondContact O-N 3.4Å; P1505-R1509 PolarHBondContact O-N 3.12Å; P1505-R1509 VanDerWaalsContact O-N 3.09Å
1506	L	87.6	Confident	84.1	Confident	76 Å²	76	59.5 Å²	59.5	40%	0.398	30%	0.301	S	S	.	.	H	α-helix	trans	-54.7	-38	-174.3	-164.9	74.4	0	0	0	113.3	I1508 R1509 K1510 E1822 E1823	L1506-I1508 VanDerWaalsContact C-N 3.28Å; L1506-I1508 PolarHBondContact O-N 3.35Å; L1506-R1509 PolarHBondContact O-N 3.39Å; L1506-K1510 HydrophobicContact CG-CD 4.45Å; L1506-K1510 WeakPolarHBondContact O-CG 3.49Å; L1506-K1510 PolarHBondContact O-N 2.92Å; L1506-E1822 HydrophobicContact CD1-CB 4.35Å; L1506-E1822 WeakPolarHBondContact CD1-O 3.19Å; L1506-E1823 HydrophobicContact CD1-CG 4.47Å
1507	K	88.2	Confident	85.6	Confident	161 Å²	161	58.9 Å²	58.9	70%	0.7	29%	0.293	S	S	*	.	H	α-helix	trans	-57.3	-35.3	175	57.1	179.7	179.5	176.8	0	113.9	P1505 I1511	P1505-K1507 HydrophobicContact CB-CG 4Å; P1505-K1507 PolarHBondContact O-N 3.26Å; P1505-K1507 VanDerWaalsContact O-N 3.11Å; K1507-I1511 WeakPolarHBondContact O-CD1 3.44Å
1508	I	88.9	Confident	86.7	Confident	51 Å²	51	59.7 Å²	59.7	26%	0.262	30%	0.295	S	S	.	.	H	α-helix	trans	-77	-48.4	174.9	-67	-179.2	0	0	0	109.2	K1504 P1505 L1506 K1510 I1511 E1512	K1504-I1508 HydrophobicContact CB-CG2 4.38Å; K1504-I1508 HydrophobicContact CD-CG2 4.22Å; P1505-I1508 HydrophobicContact CG-CD1 4.46Å; P1505-I1508 WeakPolarHBondContact O-CB 3.39Å; P1505-I1508 PolarHBondContact O-N 3.4Å; L1506-I1508 VanDerWaalsContact C-N 3.28Å; L1506-I1508 PolarHBondContact O-N 3.35Å; I1508-K1510 PolarHBondContact O-N 2.85Å; I1508-K1510 VanDerWaalsContact O-N 3.11Å; I1508-I1511 PolarHBondContact O-N 3.13Å; I1508-E1512 HydrophobicContact CG2-CB 4.18Å; I1508-E1512 HydrophobicContact CG2-CG 4.23Å; I1508-E1512 WeakPolarHBondContact CG2-OE2 3.18Å; I1508-E1512 PolarHBondContact O-N 2.98Å
1509	R	92.2	Very high	87.4	Confident	21 Å²	21	60.2 Å²	60.2	8%	0.079	31%	0.306	C	S	.	.	H	α-helix	trans	-56.7	-30.1	-179.1	-65.5	-165.1	-80.9	145.5	-15.2	113.6	K1504 P1505 L1506 I1516 R1793 E1822 E1823	K1504-R1509 HydrophobicContact CB-CG 4.13Å; K1504-R1509 VanDerWaalsContact O-CD 3.31Å; K1504-R1509 WeakPolarHBondContact O-CD 3.16Å; K1504-R1509 WeakPolarHBondContact O-CG 3.49Å; K1504-R1509 PolarHBondContact O-NE 3.49Å; P1505-R1509 PolarHBondContact O-N 3.12Å; P1505-R1509 VanDerWaalsContact O-N 3.09Å; L1506-R1509 PolarHBondContact O-N 3.39Å; R1509-I1516 HydrophobicContact CB-CG2 4.36Å; R1509-I1516 HydrophobicContact CG-CB 4.21Å; R1509-I1516 HydrophobicContact CG-CG2 3.85Å; R1509-R1793 PolarHBondContact O-NE 2.93Å; R1509-R1793 VanDerWaalsContact O-NE 3.15Å; R1509-R1793 PolarHBondContact O-NH2 3.26Å; R1509-E1822 IonicContact CZ-OE2 2.8Å; R1509-E1822 VanDerWaalsContact CZ-OE2 3.3Å; R1509-E1822 IonicContact NH1-OE2 2.79Å; R1509-E1822 PolarHBondContact NH1-OE2 2.92Å; R1509-E1822 IonicContact NH2-OE2 2.91Å; R1509-E1822 PolarHBondContact NH2-OE2 2.95Å; R1509-E1823 HydrophobicContact CB-CG 4.43Å
1510	K	90.2	Very high	87.9	Confident	84 Å²	84	57.5 Å²	57.5	37%	0.365	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-4.7	178.5	-71.2	-168.6	64.3	140.6	0	115.3	L1506 I1508 V1792 R1793 E1823	L1506-K1510 HydrophobicContact CG-CD 4.45Å; L1506-K1510 WeakPolarHBondContact O-CG 3.49Å; L1506-K1510 PolarHBondContact O-N 2.92Å; I1508-K1510 PolarHBondContact O-N 2.85Å; I1508-K1510 VanDerWaalsContact O-N 3.11Å; K1510-V1792 HydrophobicContact CB-CG1 4.4Å; K1510-V1792 HydrophobicContact CG-CG1 4.17Å; K1510-R1793 WeakPolarHBondContact O-CA 3.46Å; K1510-E1823 WeakPolarHBondContact CD-O 3.25Å; K1510-E1823 VanDerWaalsContact CE-O 3.23Å; K1510-E1823 WeakPolarHBondContact CE-O 3.36Å; K1510-E1823 HydrophobicContact CG-CB 4.43Å; K1510-E1823 PolarHBondContact NZ-O 2.8Å
1511	I	89	Confident	88.1	Confident	121 Å²	121	57 Å²	57	62%	0.621	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.1	-49.5	-173.3	-57.3	175.7	0	0	0	110.9	K1507 I1508	K1507-I1511 WeakPolarHBondContact O-CD1 3.44Å; I1508-I1511 PolarHBondContact O-N 3.13Å
1512	E	90.6	Very high	88.2	Confident	88 Å²	88	61.4 Å²	61.4	41%	0.411	31%	0.311	S	S	.	.			trans	-84.5	140.9	-173.1	-66.9	174.3	-150.7	0	0	112.6	I1508 V1514 R1793	I1508-E1512 HydrophobicContact CG2-CB 4.18Å; I1508-E1512 HydrophobicContact CG2-CG 4.23Å; I1508-E1512 WeakPolarHBondContact CG2-OE2 3.18Å; I1508-E1512 PolarHBondContact O-N 2.98Å; E1512-V1514 VanDerWaalsContact C-N 3.26Å; E1512-V1514 HydrophobicContact CB-CG1 4.41Å; E1512-V1514 HydrophobicContact CB-CG2 3.82Å; E1512-V1514 PolarHBondContact O-N 3.35Å; E1512-R1793 PolarHBondContact O-NE 3.34Å
1513	F	92.5	Very high	87.8	Confident	38 Å²	38	60.6 Å²	60.6	17%	0.167	31%	0.312	C	S	.	.			trans	-90.5	50	173.2	-77.3	-89.5	0	0	0	111.7	A1676 F1677 L1756 T1790 R1793 Q1794	F1513-A1676 HydrophobicContact CB-CB 4.46Å; F1513-A1676 WeakPolarHBondContact O-CB 3.46Å; F1513-F1677 AromaticContact CD1-CD1 3.82Å; F1513-F1677 HydrophobicContact CD1-CD1 3.82Å; F1513-F1677 HydrophobicContact CD1-CE1 4.2Å; F1513-F1677 HydrophobicContact CE1-CD1 4.17Å; F1513-F1677 HydrophobicContact CE1-CE1 4.1Å; F1513-L1756 HydrophobicContact CB-CD1 3.86Å; F1513-L1756 HydrophobicContact CB-CD2 4.33Å; F1513-L1756 HydrophobicContact CD1-CD1 3.54Å; F1513-L1756 HydrophobicContact CD2-CD1 4.02Å; F1513-L1756 HydrophobicContact CD2-CD2 3.97Å; F1513-L1756 HydrophobicContact CE1-CD1 4Å; F1513-L1756 HydrophobicContact CE2-CD1 4.42Å; F1513-L1756 HydrophobicContact CE2-CD2 4.5Å; F1513-L1756 HydrophobicContact CG-CD1 3.54Å; F1513-L1756 HydrophobicContact CG-CD2 4.18Å; F1513-L1756 HydrophobicContact CZ-CD1 4.41Å; F1513-T1790 HydrophobicContact CE1-CG2 4.04Å; F1513-T1790 HydrophobicContact CZ-CG2 4.2Å; F1513-R1793 HydrophobicContact CD2-CB 4.25Å; F1513-R1793 HydrophobicContact CE1-CB 4.03Å; F1513-R1793 HydrophobicContact CE2-CB 3.57Å; F1513-R1793 HydrophobicContact CZ-CB 3.45Å; F1513-R1793 VanDerWaalsContact CZ-CB 3.45Å; F1513-R1793 HydrophobicContact CZ-CG 4.47Å; F1513-Q1794 HydrophobicContact CZ-CG 4.32Å
1514	V	90.7	Very high	87.3	Confident	41 Å²	41	60.8 Å²	60.8	25%	0.248	31%	0.314	C	S	.	.	S	Bend	trans	-118.5	159.2	178.8	-60.1	0	0	0	0	110.7	K1504 E1512 I1516 F1677	K1504-V1514 HydrophobicContact CD-CG2 4.1Å; K1504-V1514 VanDerWaalsContact NZ-CG2 3.28Å; E1512-V1514 VanDerWaalsContact C-N 3.26Å; E1512-V1514 HydrophobicContact CB-CG1 4.41Å; E1512-V1514 HydrophobicContact CB-CG2 3.82Å; E1512-V1514 PolarHBondContact O-N 3.35Å; V1514-I1516 PolarHBondContact O-N 2.93Å; V1514-F1677 VanDerWaalsContact O-CA 3.28Å; V1514-F1677 WeakPolarHBondContact O-CA 3.4Å; V1514-F1677 WeakPolarHBondContact O-CB 3.37Å
1515	E	92.1	Very high	87.1	Confident	11 Å²	11	58.5 Å²	58.5	5%	0.051	30%	0.304	C	S	.	.			trans	-55.7	131	178.8	-96.5	168.9	-149.9	0	0	111.7	K1504 R1581 R1609 E1680	K1504-E1515 WeakPolarHBondContact CD-O 3.48Å; K1504-E1515 VanDerWaalsContact CE-O 3.22Å; K1504-E1515 WeakPolarHBondContact CE-O 3.47Å; K1504-E1515 PolarHBondContact NZ-O 3.44Å; E1515-R1581 VanDerWaalsContact OE1-CD 3.28Å; E1515-R1581 WeakPolarHBondContact OE1-CD 3.41Å; E1515-R1581 IonicContact OE1-CZ 3.27Å; E1515-R1581 IonicContact OE1-NE 3.96Å; E1515-R1581 PolarHBondContact OE1-NE 2.92Å; E1515-R1581 IonicContact OE1-NH2 2.71Å; E1515-R1581 IonicContact OE2-CZ 2.89Å; E1515-R1581 IonicContact OE2-NE 3.29Å; E1515-R1581 PolarHBondContact OE2-NE 3.34Å; E1515-R1581 IonicContact OE2-NH2 3.53Å; E1515-R1609 IonicContact OE2-CZ 3.6Å; E1515-R1609 IonicContact OE2-NE 3.62Å; E1515-R1609 IonicContact OE2-NH1 3.53Å; E1515-R1609 PolarHBondContact OE2-NH1 3.3Å; E1515-R1609 IonicContact OE2-NH2 3.56Å; E1515-R1609 PolarHBondContact OE2-NH2 3.25Å; E1515-E1680 HydrophobicContact CB-CG 4.12Å; E1515-E1680 HydrophobicContact CG-CG 3.83Å; E1515-E1680 PolarHBondContact N-OE1 3.33Å; E1515-E1680 PolarHBondContact OE1-N 3.06Å
1516	I	92.4	Very high	86.8	Confident	7 Å²	7	56.3 Å²	56.3	4%	0.036	29%	0.288	C	S	.	.	S	Bend	trans	-81	-17.4	-174.2	59.5	150.2	0	0	0	114.5	K1503 K1504 R1509 V1514 F1677 N1819	K1503-I1516 CarbonylContact C-O 3.56Å; K1503-I1516 WeakPolarHBondContact CA-O 3.47Å; K1504-I1516 PolarHBondContact N-O 3.31Å; R1509-I1516 HydrophobicContact CB-CG2 4.36Å; R1509-I1516 HydrophobicContact CG-CB 4.21Å; R1509-I1516 HydrophobicContact CG-CG2 3.85Å; V1514-I1516 PolarHBondContact O-N 2.93Å; I1516-F1677 HydrophobicContact CG2-CB 4.37Å; I1516-N1819 HydrophobicContact CD1-CB 4.44Å; I1516-N1819 WeakPolarHBondContact CD1-ND2 3.39Å
1517	Y	90.1	Very high	85.9	Confident	27 Å²	27	54.3 Å²	54.3	11%	0.106	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-109.8	129.3	-179.9	-73.4	-71.8	0	0	0	110	P1501 P1502 K1503 R1609 R1815	P1501-Y1517 HydrophobicContact CB-CD1 4.48Å; P1501-Y1517 HydrophobicContact CG-CD1 3.78Å; P1501-Y1517 HydrophobicContact CG-CE1 4.37Å; P1501-Y1517 HydrophobicContact CG-CG 4.28Å; P1502-Y1517 WeakPolarHBondContact O-CA 3.39Å; K1503-Y1517 HydrophobicContact CD-CE1 4.11Å; K1503-Y1517 WeakPolarHBondContact CE-OH 3.21Å; K1503-Y1517 HydrophobicContact CG-CD1 3.81Å; K1503-Y1517 HydrophobicContact CG-CE1 3.48Å; K1503-Y1517 VanDerWaalsContact CG-CE1 3.48Å; Y1517-R1609 PolarHBondContact O-NH1 3.19Å; Y1517-R1815 HydrophobicContact CE2-CG 4.46Å; Y1517-R1815 WeakPolarHBondContact OH-CG 3.4Å; Y1517-R1815 PolarHBondContact OH-NE 3.43Å
1518	E	87.6	Confident	85.6	Confident	90 Å²	90	47.2 Å²	47.2	42%	0.421	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-76.4	147.6	171.4	-60.4	-177.7	159.4	0	0	109.9	P1501 P1502 K1504	P1501-E1518 VanDerWaalsContact CB-O 3.32Å; P1501-E1518 WeakPolarHBondContact CB-O 3.15Å; P1502-E1518 HydrophobicContact CB-CB 4.24Å; P1502-E1518 HydrophobicContact CB-CG 4.5Å; P1502-E1518 WeakPolarHBondContact CB-OE2 3.07Å; P1502-E1518 HydrophobicContact CG-CB 4.47Å; P1502-E1518 PolarHBondContact O-N 3.24Å; K1504-E1518 HydrophobicContact CG-CG 4.43Å
1519	P	84.4	Confident	85.3	Confident	73 Å²	73	44.9 Å²	44.9	47%	0.474	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-64.9	153.1	173.5	28.5	-34.5	0	0	0	110.9
1520	F	83.7	Confident	84.7	Confident	9 Å²	9	47.9 Å²	47.9	4%	0.039	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-62	144.8	172.9	-77.6	-47.2	0	0	0	111.6	V1499 P1501 Q1524 A1525 Q1528 T1603 N1606 I1607 Y1610	V1499-F1520 WeakPolarHBondContact O-CZ 3.42Å; P1501-F1520 HydrophobicContact CB-CD1 4.1Å; P1501-F1520 HydrophobicContact CB-CE1 3.89Å; P1501-F1520 HydrophobicContact CB-CZ 4.4Å; F1520-Q1524 HydrophobicContact CB-CB 4.13Å; F1520-Q1524 HydrophobicContact CD1-CB 3.73Å; F1520-Q1524 HydrophobicContact CE1-CB 4.42Å; F1520-Q1524 HydrophobicContact CG-CB 4.14Å; F1520-A1525 HydrophobicContact CB-CB 4.04Å; F1520-Q1528 HydrophobicContact CZ-CG 4.17Å; F1520-T1603 WeakPolarHBondContact CE2-OG1 3.37Å; F1520-T1603 HydrophobicContact CZ-CG2 4.35Å; F1520-T1603 WeakPolarHBondContact CZ-OG1 3.49Å; F1520-N1606 HydrophobicContact CD2-CB 3.97Å; F1520-N1606 HydrophobicContact CE2-CB 3.45Å; F1520-N1606 VanDerWaalsContact CE2-CB 3.45Å; F1520-N1606 HydrophobicContact CZ-CB 4.09Å; F1520-I1607 HydrophobicContact CD2-CG1 4.33Å; F1520-I1607 HydrophobicContact CE2-CG1 4.13Å; F1520-Y1610 HydrophobicContact CB-CD2 4.37Å; F1520-Y1610 WeakPolarHBondContact O-CD2 3.5Å; F1520-Y1610 VanDerWaalsContact O-CE2 3.3Å; F1520-Y1610 WeakPolarHBondContact O-CE2 3.28Å
1521	S	83.1	Confident	84.2	Confident	64 Å²	64	45 Å²	45	45%	0.448	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-66.8	157	158.4	64.7	0	0	0	0	110.5	G1523 Q1524 A1525	S1521-G1523 VanDerWaalsContact C-N 3.27Å; S1521-G1523 PolarHBondContact O-N 3.02Å; S1521-Q1524 PolarHBondContact O-N 3.39Å; S1521-Q1524 VanDerWaalsContact OG-CD 3.3Å; S1521-Q1524 WeakPolarHBondContact OG-CG 3.48Å; S1521-Q1524 PolarHBondContact OG-N 2.67Å; S1521-Q1524 PolarHBondContact OG-OE1 2.93Å; S1521-A1525 PolarHBondContact O-N 2.94Å
1522	E	81.9	Confident	83.7	Confident	99 Å²	99	40.3 Å²	40.3	46%	0.463	22%	0.222	S	C	.	.	H	α-helix	trans	-55.1	-41.4	-180	-174	-172.5	153	0	0	112.8	Q1524 A1525 K1526 Y1610	E1522-Q1524 PolarHBondContact O-N 3.1Å; E1522-A1525 PolarHBondContact O-N 3.04Å; E1522-K1526 HydrophobicContact CG-CD 4.24Å; E1522-K1526 WeakPolarHBondContact O-CB 3.44Å; E1522-K1526 WeakPolarHBondContact O-CG 3.43Å; E1522-K1526 PolarHBondContact O-N 2.98Å; E1522-K1526 IonicContact OE1-NZ 2.73Å; E1522-K1526 PolarHBondContact OE1-NZ 2.96Å; E1522-Y1610 WeakPolarHBondContact CA-OH 3.48Å; E1522-Y1610 WeakPolarHBondContact CB-OH 3.44Å; E1522-Y1610 WeakPolarHBondContact CG-OH 3.49Å
1523	G	72.9	Confident	82.7	Confident	33 Å²	33	39 Å²	39	34%	0.34	22%	0.218	S	C	.	.	H	α-helix	trans	-63	-40.6	177.2	0	0	0	0	0	112.9	S1521 A1527	S1521-G1523 VanDerWaalsContact C-N 3.27Å; S1521-G1523 PolarHBondContact O-N 3.02Å; G1523-A1527 VanDerWaalsContact O-CB 3.27Å; G1523-A1527 WeakPolarHBondContact O-CB 3.24Å; G1523-A1527 PolarHBondContact O-N 3.4Å
1524	Q	78.9	Confident	81.7	Confident	65 Å²	65	40.9 Å²	40.9	30%	0.304	24%	0.235	S	C	.	.	H	α-helix	trans	-68.8	-43.4	175.1	-71.7	166.6	-53.1	0	0	111.8	F1520 S1521 E1522 K1526 A1527 Q1528	F1520-Q1524 HydrophobicContact CB-CB 4.13Å; F1520-Q1524 HydrophobicContact CD1-CB 3.73Å; F1520-Q1524 HydrophobicContact CE1-CB 4.42Å; F1520-Q1524 HydrophobicContact CG-CB 4.14Å; S1521-Q1524 PolarHBondContact O-N 3.39Å; S1521-Q1524 VanDerWaalsContact OG-CD 3.3Å; S1521-Q1524 WeakPolarHBondContact OG-CG 3.48Å; S1521-Q1524 PolarHBondContact OG-N 2.67Å; S1521-Q1524 PolarHBondContact OG-OE1 2.93Å; E1522-Q1524 PolarHBondContact O-N 3.1Å; Q1524-K1526 VanDerWaalsContact C-N 3.34Å; Q1524-K1526 PolarHBondContact O-N 2.88Å; Q1524-A1527 PolarHBondContact O-N 3Å; Q1524-Q1528 WeakPolarHBondContact O-CB 3.28Å; Q1524-Q1528 WeakPolarHBondContact O-CG 3.48Å; Q1524-Q1528 PolarHBondContact O-N 3.28Å
1525	A	83.5	Confident	80.6	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.008	23%	0.233	C	C	.	.	H	α-helix	trans	-60.3	-44.3	179	0	0	0	0	0	111.3	F1520 S1521 E1522 A1529 Y1610	F1520-A1525 HydrophobicContact CB-CB 4.04Å; S1521-A1525 PolarHBondContact O-N 2.94Å; E1522-A1525 PolarHBondContact O-N 3.04Å; A1525-A1529 WeakPolarHBondContact O-CB 3.43Å; A1525-A1529 PolarHBondContact O-N 2.98Å; A1525-Y1610 HydrophobicContact CB-CD1 3.39Å; A1525-Y1610 HydrophobicContact CB-CD2 4.22Å; A1525-Y1610 HydrophobicContact CB-CE1 3.49Å; A1525-Y1610 VanDerWaalsContact CB-CE1 3.49Å; A1525-Y1610 HydrophobicContact CB-CE2 4.3Å; A1525-Y1610 HydrophobicContact CB-CG 3.79Å
1526	K	81.1	Confident	78.9	Confident	23 Å²	23	43.6 Å²	43.6	10%	0.1	27%	0.269	C	S	.	.	H	α-helix	trans	-63.2	-54.1	174.4	-74.2	178.4	169.1	168.2	0	112.1	P982 E1522 Q1524 Q1528 A1529 D1530 A1557 N1558	P982-K1526 HydrophobicContact CB-CD 3.68Å; P982-K1526 HydrophobicContact CG-CD 3.94Å; E1522-K1526 HydrophobicContact CG-CD 4.24Å; E1522-K1526 WeakPolarHBondContact O-CB 3.44Å; E1522-K1526 WeakPolarHBondContact O-CG 3.43Å; E1522-K1526 PolarHBondContact O-N 2.98Å; E1522-K1526 IonicContact OE1-NZ 2.73Å; E1522-K1526 PolarHBondContact OE1-NZ 2.96Å; Q1524-K1526 VanDerWaalsContact C-N 3.34Å; Q1524-K1526 PolarHBondContact O-N 2.88Å; K1526-Q1528 VanDerWaalsContact C-N 3.28Å; K1526-Q1528 PolarHBondContact O-N 3.09Å; K1526-A1529 PolarHBondContact O-N 3.37Å; K1526-A1529 VanDerWaalsContact O-N 3.09Å; K1526-D1530 WeakPolarHBondContact O-CB 3.34Å; K1526-D1530 PolarHBondContact O-N 3.49Å; K1526-A1557 WeakPolarHBondContact CG-O 3.18Å; K1526-N1558 WeakPolarHBondContact CE-O 3.44Å; K1526-N1558 WeakPolarHBondContact CG-O 3.38Å
1527	A	69.4	Low	78	Confident	33 Å²	33	48.4 Å²	48.4	27%	0.273	30%	0.295	S	S	.	.	H	α-helix	trans	-61.6	-33.6	-178.4	0	0	0	0	0	113.2	G1523 Q1524	G1523-A1527 VanDerWaalsContact O-CB 3.27Å; G1523-A1527 WeakPolarHBondContact O-CB 3.24Å; G1523-A1527 PolarHBondContact O-N 3.4Å; Q1524-A1527 PolarHBondContact O-N 3Å
1528	Q	81.8	Confident	77.5	Confident	12 Å²	12	48.1 Å²	48.1	6%	0.056	30%	0.296	C	S	.	.	H	α-helix	trans	-79.8	-28.5	175.1	-67.9	-64.1	-63.2	0	0	112.8	D1497 V1499 F1520 Q1524 K1526 R1531 T1603 I1607	D1497-Q1528 PolarHBondContact O-NE2 3.45Å; D1497-Q1528 VanDerWaalsContact O-NE2 3.15Å; V1499-Q1528 HydrophobicContact CB-CG 4.42Å; F1520-Q1528 HydrophobicContact CZ-CG 4.17Å; Q1524-Q1528 WeakPolarHBondContact O-CB 3.28Å; Q1524-Q1528 WeakPolarHBondContact O-CG 3.48Å; Q1524-Q1528 PolarHBondContact O-N 3.28Å; K1526-Q1528 VanDerWaalsContact C-N 3.28Å; K1526-Q1528 PolarHBondContact O-N 3.09Å; Q1528-R1531 WeakPolarHBondContact O-CB 3.44Å; Q1528-T1603 WeakPolarHBondContact CB-OG1 3.28Å; Q1528-I1607 HydrophobicContact CB-CD1 4.13Å
1529	A	82.8	Confident	77.4	Confident	2 Å²	2	49.1 Å²	49.1	2%	0.017	30%	0.297	C	S	.	.	H	α-helix	trans	-71.4	-34.9	171.9	0	0	0	0	0	112.6	A1525 K1526 R1531 C1532 L1554 A1557 N1558 I1607	A1525-A1529 WeakPolarHBondContact O-CB 3.43Å; A1525-A1529 PolarHBondContact O-N 2.98Å; K1526-A1529 PolarHBondContact O-N 3.37Å; K1526-A1529 VanDerWaalsContact O-N 3.09Å; A1529-R1531 PolarHBondContact O-N 3.04Å; A1529-C1532 WeakPolarHBondContact O-CB 3.32Å; A1529-C1532 PolarHBondContact O-N 3.01Å; A1529-L1554 HydrophobicContact CB-CD2 4.08Å; A1529-L1554 WeakPolarHBondContact CB-O 3.45Å; A1529-A1557 HydrophobicContact CB-CB 4.23Å; A1529-N1558 HydrophobicContact CB-CB 4.1Å; A1529-I1607 HydrophobicContact CB-CD1 4.07Å
1530	D	79.2	Confident	77.6	Confident	85 Å²	85	46.1 Å²	46.1	46%	0.455	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.7	175.1	-166.2	56.1	0	0	0	113.3	K1526 C1532 N1558	K1526-D1530 WeakPolarHBondContact O-CB 3.34Å; K1526-D1530 PolarHBondContact O-N 3.49Å; D1530-C1532 PolarHBondContact O-N 2.66Å; D1530-C1532 VanDerWaalsContact O-N 3.13Å; D1530-N1558 WeakPolarHBondContact CA-ND2 3.46Å; D1530-N1558 PolarHBondContact OD1-ND2 3.14Å
1531	R	80.4	Confident	78	Confident	22 Å²	22	47.5 Å²	47.5	8%	0.083	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-11.1	171.6	-55.9	177.5	71	-118.5	-6.9	113	S1496 Q1528 A1529 L1533 L1595 F1599 G1600 A1601 V1602	S1496-R1531 PolarHBondContact O-NE 3.16Å; S1496-R1531 PolarHBondContact O-NH2 2.99Å; Q1528-R1531 WeakPolarHBondContact O-CB 3.44Å; A1529-R1531 PolarHBondContact O-N 3.04Å; R1531-L1533 PolarHBondContact O-N 3.08Å; R1531-L1595 HydrophobicContact CB-CD1 4.37Å; R1531-L1595 WeakPolarHBondContact O-CD1 3.38Å; R1531-F1599 PolarHBondContact NH2-O 3.47Å; R1531-G1600 PolarHBondContact NH1-O 3.24Å; R1531-G1600 PolarHBondContact NH2-O 2.92Å; R1531-A1601 PolarHBondContact NH1-O 3.32Å; R1531-V1602 HydrophobicContact CB-CG2 4.12Å
1532	C	79.3	Confident	78.2	Confident	23 Å²	23	52.9 Å²	52.9	16%	0.155	30%	0.295	C	S	.	.			trans	-70.4	113.2	177.3	-170.7	0	0	0	0	111.5	A1529 D1530 S1534 L1554 V1602	A1529-C1532 WeakPolarHBondContact O-CB 3.32Å; A1529-C1532 PolarHBondContact O-N 3.01Å; D1530-C1532 PolarHBondContact O-N 2.66Å; D1530-C1532 VanDerWaalsContact O-N 3.13Å; C1532-S1534 PolarHBondContact O-N 3.01Å; C1532-L1554 HydrophobicContact CB-CB 4.27Å; C1532-L1554 HydrophobicContact CB-CD1 3.94Å; C1532-V1602 HydrophobicContact CB-CG2 4.44Å
1533	L	68.9	Low	78.6	Confident	62 Å²	62	54.1 Å²	54.1	33%	0.325	30%	0.299	S	S	.	.			trans	-63.1	-9.4	177.1	-60.2	177.1	0	0	0	114.6	F1424 R1531 C1535 T1594 L1595	F1424-L1533 HydrophobicContact CE1-CD2 3.96Å; F1424-L1533 HydrophobicContact CZ-CD2 4.42Å; R1531-L1533 PolarHBondContact O-N 3.08Å; L1533-C1535 HydrophobicContact CB-CB 4.42Å; L1533-C1535 PolarHBondContact O-N 3.16Å; L1533-T1594 HydrophobicContact CD1-CG2 3.5Å; L1533-L1595 HydrophobicContact CD1-CD2 3.88Å; L1533-L1595 HydrophobicContact CD1-CG 4.28Å; L1533-L1595 HydrophobicContact CD2-CD2 4.49Å; L1533-L1595 HydrophobicContact CG-CD2 4.23Å; L1533-L1595 HydrophobicContact CG-CG 4.37Å
1534	S	71.6	Confident	79.5	Confident	76 Å²	76	53.2 Å²	53.2	53%	0.531	29%	0.287	S	S	.	.			trans	49.3	43.4	-169.3	-56.8	0	0	0	0	112.1	C1532	C1532-S1534 PolarHBondContact O-N 3.01Å
1535	C	67.2	Low	80.1	Confident	31 Å²	31	51.8 Å²	51.8	21%	0.209	28%	0.283	C	S	.	.			trans	-63	139.8	-172.6	46.6	0	0	0	0	112.4	L1533 N1537 T1594	L1533-C1535 HydrophobicContact CB-CB 4.42Å; L1533-C1535 PolarHBondContact O-N 3.16Å; C1535-N1537 PolarHBondContact O-N 3.11Å; C1535-N1537 VanDerWaalsContact O-N 3.13Å; C1535-T1594 PolarHBondContact SG-OG1 3.45Å; C1535-T1594 VanDerWaalsContact SG-OG1 3.35Å
1536	G	56	Low	80.6	Confident	78 Å²	78	52.4 Å²	52.4	80%	0.804	29%	0.287	S	S	*	.	S	Bend	trans	-62.1	-23.2	-172.8	0	0	0	0	0	115.3
1537	N	74.9	Confident	81.1	Confident	108 Å²	108	55.4 Å²	55.4	58%	0.578	30%	0.301	S	S	*	.	S	Bend	trans	-117.4	90.9	169.3	-76.8	-32.5	0	0	0	109.1	C1535 Y1539	C1535-N1537 PolarHBondContact O-N 3.11Å; C1535-N1537 VanDerWaalsContact O-N 3.13Å; N1537-Y1539 HydrophobicContact CB-CE2 4.4Å; N1537-Y1539 WeakPolarHBondContact O-CD2 3.45Å; N1537-Y1539 PolarHBondContact O-N 3.15Å
1538	P	80	Confident	82.2	Confident	21 Å²	21	53.9 Å²	53.9	14%	0.136	29%	0.288	C	S	.	.			trans	-77.9	80.8	-174	30.9	-35.7	0	0	0	111.7	C1540 E1541 W1542 P1551	P1538-C1540 PolarHBondContact O-N 2.71Å; P1538-E1541 HydrophobicContact CB-CB 4.35Å; P1538-E1541 HydrophobicContact CG-CB 4.35Å; P1538-E1541 WeakPolarHBondContact O-CB 3.33Å; P1538-E1541 PolarHBondContact O-N 2.86Å; P1538-W1542 PolarHBondContact O-N 2.88Å; P1538-P1551 HydrophobicContact CB-CG 3.54Å; P1538-P1551 HydrophobicContact CG-CG 4.23Å
1539	Y	85.3	Confident	82.7	Confident	112 Å²	112	57.9 Å²	57.9	44%	0.439	30%	0.304	S	S	.	.	H	α-helix	trans	-53	-27.7	179.4	-69.3	-72.2	0	0	0	114.3	I1453 N1537 E1541 W1542 K1543 S1592	I1453-Y1539 HydrophobicContact CD1-CD2 3.99Å; I1453-Y1539 HydrophobicContact CD1-CE2 4.08Å; I1453-Y1539 HydrophobicContact CG1-CE2 4.29Å; N1537-Y1539 HydrophobicContact CB-CE2 4.4Å; N1537-Y1539 WeakPolarHBondContact O-CD2 3.45Å; N1537-Y1539 PolarHBondContact O-N 3.15Å; Y1539-E1541 VanDerWaalsContact C-N 3.27Å; Y1539-E1541 PolarHBondContact O-N 3.06Å; Y1539-W1542 PolarHBondContact O-N 3.49Å; Y1539-K1543 WeakPolarHBondContact O-CB 3.49Å; Y1539-K1543 PolarHBondContact O-N 3.24Å; Y1539-S1592 VanDerWaalsContact CB-O 3.27Å; Y1539-S1592 WeakPolarHBondContact CB-O 3.23Å
1540	C	88.5	Confident	83.2	Confident	10 Å²	10	57.9 Å²	57.9	7%	0.068	30%	0.303	C	S	.	.	H	α-helix	trans	-59.4	-33.7	173.6	53.2	0	0	0	0	113.6	P1538 C1544 I1550 C1589 I1604	P1538-C1540 PolarHBondContact O-N 2.71Å; C1540-C1544 WeakPolarHBondContact O-CB 3.45Å; C1540-C1544 PolarHBondContact O-N 3.29Å; C1540-I1550 HydrophobicContact CB-CD1 4.14Å; C1540-I1550 HydrophobicContact CB-CG2 4.31Å; C1540-I1550 VanDerWaalsContact O-CD1 3.25Å; C1540-I1550 WeakPolarHBondContact O-CD1 3.29Å; C1540-C1589 HydrophobicContact CB-CB 4.34Å; C1540-C1589 WeakPolarHBondContact CB-O 3.48Å; C1540-C1589 WeakPolarHBondContact O-CB 3.34Å; C1540-I1604 HydrophobicContact CB-CD1 3.75Å
1541	E	91.5	Very high	83.6	Confident	37 Å²	37	54.5 Å²	54.5	17%	0.173	29%	0.286	C	S	.	.	H	α-helix	trans	-80.1	-45.5	176	175.8	171.7	150.5	0	0	111.1	P1538 Y1539 K1543 C1544 H1547 N1548	P1538-E1541 HydrophobicContact CB-CB 4.35Å; P1538-E1541 HydrophobicContact CG-CB 4.35Å; P1538-E1541 WeakPolarHBondContact O-CB 3.33Å; P1538-E1541 PolarHBondContact O-N 2.86Å; Y1539-E1541 VanDerWaalsContact C-N 3.27Å; Y1539-E1541 PolarHBondContact O-N 3.06Å; E1541-K1543 VanDerWaalsContact C-N 3.26Å; E1541-K1543 PolarHBondContact O-N 2.68Å; E1541-C1544 WeakPolarHBondContact O-CB 3.27Å; E1541-C1544 PolarHBondContact O-N 2.76Å; E1541-C1544 VanDerWaalsContact O-N 3.12Å; E1541-H1547 HydrophobicContact CG-CB 4.48Å; E1541-H1547 PolarHBondContact O-ND1 3.42Å; E1541-N1548 VanDerWaalsContact CG-O 3.3Å; E1541-N1548 WeakPolarHBondContact CG-O 3.4Å
1542	W	87	Confident	84.2	Confident	177 Å²	177	57.7 Å²	57.7	67%	0.67	31%	0.305	S	S	*	.	H	α-helix	trans	-61.1	-31.1	176.8	-75.8	87.8	0	0	0	113.9	P1538 Y1539 H1547	P1538-W1542 PolarHBondContact O-N 2.88Å; Y1539-W1542 PolarHBondContact O-N 3.49Å; W1542-H1547 PolarHBondContact O-CE1 3.5Å
1543	K	90.1	Very high	84.9	Confident	126 Å²	126	56.6 Å²	56.6	55%	0.548	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-2.1	178.3	-70.9	-80.5	-172.6	-179.5	0	113.8	Y1539 E1541 S1592	Y1539-K1543 WeakPolarHBondContact O-CB 3.49Å; Y1539-K1543 PolarHBondContact O-N 3.24Å; E1541-K1543 VanDerWaalsContact C-N 3.26Å; E1541-K1543 PolarHBondContact O-N 2.68Å; K1543-S1592 WeakPolarHBondContact CB-OG 3.5Å; K1543-S1592 VanDerWaalsContact CG-OG 3.29Å; K1543-S1592 WeakPolarHBondContact CG-OG 3.45Å
1544	C	91.9	Very high	86	Confident	14 Å²	14	53.7 Å²	53.7	10%	0.095	28%	0.282	C	S	.	.	S	Bend	trans	-83.9	120.7	166.1	-172.6	0	0	0	0	108.7	C1540 E1541 V1546 H1547 I1550	C1540-C1544 WeakPolarHBondContact O-CB 3.45Å; C1540-C1544 PolarHBondContact O-N 3.29Å; E1541-C1544 WeakPolarHBondContact O-CB 3.27Å; E1541-C1544 PolarHBondContact O-N 2.76Å; E1541-C1544 VanDerWaalsContact O-N 3.12Å; C1544-V1546 PolarHBondContact O-N 3.14Å; C1544-V1546 VanDerWaalsContact O-N 3.08Å; C1544-V1546 VanDerWaalsContact SG-CG2 3.54Å; C1544-H1547 PolarHBondContact O-N 3.27Å; C1544-H1547 PolarHBondContact O-ND1 2.94Å; C1544-I1550 HydrophobicContact CB-CD1 4.34Å
1545	P	92.3	Very high	86.6	Confident	34 Å²	34	55.9 Å²	55.9	22%	0.221	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-19.6	-175.7	-29.3	38.9	0	0	0	115.8	L1588 V1938 A1942	P1545-L1588 HydrophobicContact CG-CD2 4.49Å; P1545-V1938 HydrophobicContact CB-CG1 4.47Å; P1545-V1938 HydrophobicContact CB-CG2 4.3Å; P1545-V1938 HydrophobicContact CG-CG1 3.92Å; P1545-V1938 HydrophobicContact CG-CG2 4.44Å; P1545-A1942 HydrophobicContact CB-CB 4.3Å; P1545-A1942 WeakPolarHBondContact O-CB 3.14Å
1546	V	93.4	Very high	87.7	Confident	15 Å²	15	55.6 Å²	55.6	9%	0.091	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	3.3	173.5	-64.9	0	0	0	0	113.5	C1544 N1548 N1573 V1938 I1941 A1942	C1544-V1546 PolarHBondContact O-N 3.14Å; C1544-V1546 VanDerWaalsContact O-N 3.08Å; C1544-V1546 VanDerWaalsContact SG-CG2 3.54Å; V1546-N1548 VanDerWaalsContact C-N 3.35Å; V1546-N1548 HydrophobicContact CG2-CB 4.24Å; V1546-N1548 PolarHBondContact O-N 3.23Å; V1546-N1573 HydrophobicContact CG2-CB 4.21Å; V1546-V1938 HydrophobicContact CB-CG2 4.36Å; V1546-V1938 HydrophobicContact CG1-CG2 3.79Å; V1546-V1938 HydrophobicContact CG2-CG2 3.83Å; V1546-I1941 HydrophobicContact CG1-CB 4.17Å; V1546-I1941 HydrophobicContact CG1-CG2 3.75Å; V1546-A1942 HydrophobicContact CG1-CB 3.86Å
1547	H	92.4	Very high	89.2	Confident	85 Å²	85	52 Å²	52	39%	0.394	24%	0.24	S	C	.	.			trans	48.5	51.3	-177.5	-59.2	-59.1	0	0	0	113.5	E1541 W1542 C1544	E1541-H1547 HydrophobicContact CG-CB 4.48Å; E1541-H1547 PolarHBondContact O-ND1 3.42Å; W1542-H1547 PolarHBondContact O-CE1 3.5Å; C1544-H1547 PolarHBondContact O-N 3.27Å; C1544-H1547 PolarHBondContact O-ND1 2.94Å
1548	N	91.3	Very high	89.6	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	23%	0.226	C	C	.	.			trans	-66.8	134.3	-179.7	-167.9	-7.2	0	0	0	111	E1541 V1546 I1550 W1553 T1572 E1608	E1541-N1548 VanDerWaalsContact CG-O 3.3Å; E1541-N1548 WeakPolarHBondContact CG-O 3.4Å; V1546-N1548 VanDerWaalsContact C-N 3.35Å; V1546-N1548 HydrophobicContact CG2-CB 4.24Å; V1546-N1548 PolarHBondContact O-N 3.23Å; N1548-I1550 HydrophobicContact CB-CG1 4.33Å; N1548-I1550 WeakPolarHBondContact O-CG1 3.25Å; N1548-I1550 PolarHBondContact O-N 2.83Å; N1548-W1553 VanDerWaalsContact CG-NE1 3.34Å; N1548-W1553 PolarHBondContact ND2-NE1 2.99Å; N1548-W1553 PolarHBondContact OD1-NE1 2.73Å; N1548-T1572 WeakPolarHBondContact CA-OG1 3.39Å; N1548-T1572 PolarHBondContact OD1-OG1 3.18Å; N1548-T1572 VanDerWaalsContact OD1-OG1 3.05Å; N1548-E1608 PolarHBondContact ND2-OE1 3.17Å
1549	Y	92.9	Very high	89.6	Confident	97 Å²	97	52 Å²	52	38%	0.38	24%	0.237	S	C	.	.			trans	-69	57.7	-176.9	-58.1	-46.2	0	0	0	113.7	N1552 W1553 L1568 T1572	Y1549-N1552 WeakPolarHBondContact O-CB 3.47Å; Y1549-N1552 PolarHBondContact O-N 3.39Å; Y1549-N1552 VanDerWaalsContact O-N 3.14Å; Y1549-W1553 PolarHBondContact O-N 3.28Å; Y1549-L1568 HydrophobicContact CD2-CD2 4.44Å; Y1549-L1568 HydrophobicContact CD2-CG 4.16Å; Y1549-T1572 HydrophobicContact CD1-CG2 4.41Å; Y1549-T1572 HydrophobicContact CD2-CG2 3.77Å; Y1549-T1572 HydrophobicContact CE1-CG2 4.21Å; Y1549-T1572 HydrophobicContact CE2-CG2 3.55Å; Y1549-T1572 HydrophobicContact CG-CG2 4.21Å
1550	I	94	Very high	89.4	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-55.2	-49.9	-168	-74.2	154.9	0	0	0	113	C1540 C1544 N1548 N1552 W1553 L1554 C1589 I1604	C1540-I1550 HydrophobicContact CB-CD1 4.14Å; C1540-I1550 HydrophobicContact CB-CG2 4.31Å; C1540-I1550 VanDerWaalsContact O-CD1 3.25Å; C1540-I1550 WeakPolarHBondContact O-CD1 3.29Å; C1544-I1550 HydrophobicContact CB-CD1 4.34Å; N1548-I1550 HydrophobicContact CB-CG1 4.33Å; N1548-I1550 WeakPolarHBondContact O-CG1 3.25Å; N1548-I1550 PolarHBondContact O-N 2.83Å; I1550-N1552 PolarHBondContact O-N 3.37Å; I1550-W1553 HydrophobicContact CB-CZ2 4.2Å; I1550-W1553 HydrophobicContact CG1-CH2 4.42Å; I1550-W1553 HydrophobicContact CG1-CZ2 3.59Å; I1550-W1553 HydrophobicContact CG2-CZ2 4.4Å; I1550-L1554 HydrophobicContact CG2-CD1 3.47Å; I1550-L1554 VanDerWaalsContact CG2-CD1 3.47Å; I1550-L1554 HydrophobicContact CG2-CG 4.17Å; I1550-L1554 VanDerWaalsContact O-CB 3.25Å; I1550-L1554 WeakPolarHBondContact O-CB 3.17Å; I1550-L1554 WeakPolarHBondContact O-CD1 3.36Å; I1550-L1554 WeakPolarHBondContact O-CG 3.2Å; I1550-L1554 PolarHBondContact O-N 3.01Å; I1550-C1589 HydrophobicContact CD1-CB 3.9Å; I1550-I1604 HydrophobicContact CD1-CG2 4.09Å; I1550-I1604 HydrophobicContact CG1-CG2 4.02Å; I1550-I1604 HydrophobicContact CG2-CD1 4.06Å; I1550-I1604 HydrophobicContact CG2-CG1 4.06Å; I1550-I1604 HydrophobicContact CG2-CG2 3.97Å
1551	P	87.1	Confident	89.4	Confident	14 Å²	14	52.4 Å²	52.4	9%	0.091	24%	0.244	C	C	.	.	H	α-helix	trans	-59.9	-37.2	-179.7	-21.5	33.1	0	0	0	112.7	P1538 K1555	P1538-P1551 HydrophobicContact CB-CG 3.54Å; P1538-P1551 HydrophobicContact CG-CG 4.23Å; P1551-K1555 WeakPolarHBondContact O-CB 3.22Å; P1551-K1555 PolarHBondContact O-N 2.95Å
1552	N	92.9	Very high	89.4	Confident	89 Å²	89	51.4 Å²	51.4	48%	0.476	24%	0.24	S	C	.	.	H	α-helix	trans	-71.6	-48.3	-172.8	-60.2	48.5	0	0	0	111.3	Y1549 I1550 K1555 L1556 L1568	Y1549-N1552 WeakPolarHBondContact O-CB 3.47Å; Y1549-N1552 PolarHBondContact O-N 3.39Å; Y1549-N1552 VanDerWaalsContact O-N 3.14Å; I1550-N1552 PolarHBondContact O-N 3.37Å; N1552-K1555 PolarHBondContact O-N 3.35Å; N1552-L1556 WeakPolarHBondContact O-CG 3.36Å; N1552-L1556 PolarHBondContact O-N 2.9Å; N1552-L1556 VanDerWaalsContact O-N 3.12Å; N1552-L1568 HydrophobicContact CB-CD2 3.32Å
1553	W	94.2	Very high	89.5	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-77.2	-24.5	176.1	59.6	-112.7	0	0	0	113.2	N1548 Y1549 I1550 L1556 A1557 A1565 L1568 I1604 I1607 E1608 I1611	N1548-W1553 VanDerWaalsContact CG-NE1 3.34Å; N1548-W1553 PolarHBondContact ND2-NE1 2.99Å; N1548-W1553 PolarHBondContact OD1-NE1 2.73Å; Y1549-W1553 PolarHBondContact O-N 3.28Å; I1550-W1553 HydrophobicContact CB-CZ2 4.2Å; I1550-W1553 HydrophobicContact CG1-CH2 4.42Å; I1550-W1553 HydrophobicContact CG1-CZ2 3.59Å; I1550-W1553 HydrophobicContact CG2-CZ2 4.4Å; W1553-L1556 PolarHBondContact O-N 3.47Å; W1553-A1557 VanDerWaalsContact O-CB 3.29Å; W1553-A1557 WeakPolarHBondContact O-CB 3.48Å; W1553-A1557 PolarHBondContact O-N 2.89Å; W1553-A1565 HydrophobicContact CB-CB 4.1Å; W1553-A1565 WeakPolarHBondContact CB-O 3.42Å; W1553-L1568 HydrophobicContact CB-CB 4.35Å; W1553-L1568 HydrophobicContact CB-CD2 4.18Å; W1553-I1604 HydrophobicContact CH2-CG2 3.69Å; W1553-I1604 HydrophobicContact CZ2-CG2 4.09Å; W1553-I1607 HydrophobicContact CZ3-CB 4.19Å; W1553-I1607 HydrophobicContact CZ3-CG2 3.95Å; W1553-E1608 HydrophobicContact CH2-CB 3.75Å; W1553-E1608 HydrophobicContact CH2-CG 4.43Å; W1553-E1608 HydrophobicContact CZ2-CB 4.1Å; W1553-E1608 HydrophobicContact CZ2-CG 4.3Å; W1553-E1608 HydrophobicContact CZ3-CB 4.43Å; W1553-I1611 HydrophobicContact CB-CD1 4.3Å; W1553-I1611 HydrophobicContact CD2-CD1 3.92Å; W1553-I1611 HydrophobicContact CE3-CD1 3.59Å; W1553-I1611 HydrophobicContact CG-CD1 4.26Å; W1553-I1611 HydrophobicContact CZ3-CD1 4.18Å
1554	L	91.5	Very high	89.5	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-62	-44.4	167.9	-76.7	171.5	0	0	0	110.9	A1529 C1532 I1550 L1556 A1557 N1558 V1602 I1604 I1607	A1529-L1554 HydrophobicContact CB-CD2 4.08Å; A1529-L1554 WeakPolarHBondContact CB-O 3.45Å; C1532-L1554 HydrophobicContact CB-CB 4.27Å; C1532-L1554 HydrophobicContact CB-CD1 3.94Å; I1550-L1554 HydrophobicContact CG2-CD1 3.47Å; I1550-L1554 VanDerWaalsContact CG2-CD1 3.47Å; I1550-L1554 HydrophobicContact CG2-CG 4.17Å; I1550-L1554 VanDerWaalsContact O-CB 3.25Å; I1550-L1554 WeakPolarHBondContact O-CB 3.17Å; I1550-L1554 WeakPolarHBondContact O-CD1 3.36Å; I1550-L1554 WeakPolarHBondContact O-CG 3.2Å; I1550-L1554 PolarHBondContact O-N 3.01Å; L1554-L1556 PolarHBondContact O-N 2.84Å; L1554-A1557 WeakPolarHBondContact O-CB 3.45Å; L1554-A1557 PolarHBondContact O-N 2.82Å; L1554-N1558 PolarHBondContact O-N 3.01Å; L1554-V1602 HydrophobicContact CD1-CG1 3.96Å; L1554-V1602 HydrophobicContact CD2-CG1 4.01Å; L1554-I1604 HydrophobicContact CD1-CG1 4.43Å; L1554-I1607 HydrophobicContact CD2-CB 4.14Å; L1554-I1607 HydrophobicContact CD2-CD1 3.55Å; L1554-I1607 HydrophobicContact CD2-CG1 4.45Å; L1554-I1607 HydrophobicContact CD2-CG2 3.92Å
1555	K	84.9	Confident	89.6	Confident	122 Å²	122	44.6 Å²	44.6	53%	0.53	22%	0.215	S	C	.	.	H	α-helix	trans	-59.1	-46.9	174	-179.5	177.1	176.4	178.3	0	111.8	P1551 N1552 A1557 N1558 E1559	P1551-K1555 WeakPolarHBondContact O-CB 3.22Å; P1551-K1555 PolarHBondContact O-N 2.95Å; N1552-K1555 PolarHBondContact O-N 3.35Å; K1555-A1557 VanDerWaalsContact C-N 3.33Å; K1555-A1557 PolarHBondContact O-N 2.96Å; K1555-N1558 WeakPolarHBondContact O-CB 3.49Å; K1555-N1558 PolarHBondContact O-N 3.07Å; K1555-E1559 WeakPolarHBondContact CE-OE1 3.3Å; K1555-E1559 WeakPolarHBondContact CG-OE1 3.37Å; K1555-E1559 WeakPolarHBondContact O-CG 3.44Å; K1555-E1559 PolarHBondContact O-N 3.13Å
1556	L	90.1	Very high	89.6	Confident	25 Å²	25	43 Å²	43	13%	0.131	20%	0.204	C	C	.	.	H	α-helix	trans	-63.7	-36.6	176.3	-67.6	170.6	0	0	0	112.6	N1552 W1553 L1554 E1559 G1560 R1561 E1564 A1565	N1552-L1556 WeakPolarHBondContact O-CG 3.36Å; N1552-L1556 PolarHBondContact O-N 2.9Å; N1552-L1556 VanDerWaalsContact O-N 3.12Å; W1553-L1556 PolarHBondContact O-N 3.47Å; L1554-L1556 PolarHBondContact O-N 2.84Å; L1556-E1559 CarbonylContact O-C 3.54Å; L1556-E1559 PolarHBondContact O-N 2.78Å; L1556-G1560 PolarHBondContact O-N 2.78Å; L1556-R1561 HydrophobicContact CB-CB 4.31Å; L1556-R1561 HydrophobicContact CD2-CB 4.08Å; L1556-R1561 PolarHBondContact O-N 3.03Å; L1556-E1564 HydrophobicContact CD1-CB 4.1Å; L1556-A1565 HydrophobicContact CB-CB 3.72Å
1557	A	86.9	Confident	89.5	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-63.9	-44.5	175	0	0	0	0	0	111.7	K1526 A1529 W1553 L1554 K1555 G1560 I1607 I1611	K1526-A1557 WeakPolarHBondContact CG-O 3.18Å; A1529-A1557 HydrophobicContact CB-CB 4.23Å; W1553-A1557 VanDerWaalsContact O-CB 3.29Å; W1553-A1557 WeakPolarHBondContact O-CB 3.48Å; W1553-A1557 PolarHBondContact O-N 2.89Å; L1554-A1557 WeakPolarHBondContact O-CB 3.45Å; L1554-A1557 PolarHBondContact O-N 2.82Å; K1555-A1557 VanDerWaalsContact C-N 3.33Å; K1555-A1557 PolarHBondContact O-N 2.96Å; A1557-G1560 PolarHBondContact O-N 3.11Å; A1557-I1607 HydrophobicContact CB-CG2 3.97Å; A1557-I1611 HydrophobicContact CB-CG2 3.77Å
1558	N	84.2	Confident	89.4	Confident	50 Å²	50	42.4 Å²	42.4	27%	0.267	20%	0.202	S	C	.	.	H	α-helix	trans	-58.9	-47.4	172.7	-172.5	10.5	0	0	0	111.5	K1526 A1529 D1530 L1554 K1555 G1560	K1526-N1558 WeakPolarHBondContact CE-O 3.44Å; K1526-N1558 WeakPolarHBondContact CG-O 3.38Å; A1529-N1558 HydrophobicContact CB-CB 4.1Å; D1530-N1558 WeakPolarHBondContact CA-ND2 3.46Å; D1530-N1558 PolarHBondContact OD1-ND2 3.14Å; L1554-N1558 PolarHBondContact O-N 3.01Å; K1555-N1558 WeakPolarHBondContact O-CB 3.49Å; K1555-N1558 PolarHBondContact O-N 3.07Å; N1558-G1560 PolarHBondContact O-N 3.01Å; N1558-G1560 VanDerWaalsContact O-N 3.1Å
1559	E	80.2	Confident	89.5	Confident	81 Å²	81	42.3 Å²	42.3	38%	0.379	20%	0.201	S	C	.	.	H	α-helix	trans	-62.4	-15.5	173.7	-71.4	175.3	-161.9	0	0	113.6	K1555 L1556 R1561	K1555-E1559 WeakPolarHBondContact CE-OE1 3.3Å; K1555-E1559 WeakPolarHBondContact CG-OE1 3.37Å; K1555-E1559 WeakPolarHBondContact O-CG 3.44Å; K1555-E1559 PolarHBondContact O-N 3.13Å; L1556-E1559 CarbonylContact O-C 3.54Å; L1556-E1559 PolarHBondContact O-N 2.78Å; E1559-R1561 HydrophobicContact CB-CG 4.23Å; E1559-R1561 WeakPolarHBondContact OE2-CD 3.49Å; E1559-R1561 IonicContact OE2-CZ 2.89Å; E1559-R1561 IonicContact OE2-NE 2.85Å; E1559-R1561 IonicContact OE2-NH1 3.45Å; E1559-R1561 PolarHBondContact OE2-NH1 3.39Å
1560	G	81	Confident	89.5	Confident	25 Å²	25	37.8 Å²	37.8	26%	0.258	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	12.8	-176.7	0	0	0	0	0	114.8	L1556 A1557 N1558 I1562	L1556-G1560 PolarHBondContact O-N 2.78Å; A1557-G1560 PolarHBondContact O-N 3.11Å; N1558-G1560 PolarHBondContact O-N 3.01Å; N1558-G1560 VanDerWaalsContact O-N 3.1Å; G1560-I1562 PolarHBondContact O-N 3.46Å
1561	R	88.7	Confident	89.3	Confident	105 Å²	105	42.2 Å²	42.2	40%	0.396	20%	0.204	S	C	.	.			trans	-85.4	58.8	-179.9	-66.8	165.6	69.7	-173.7	2.6	110.1	L1556 E1559 F1563 E1564 A1565	L1556-R1561 HydrophobicContact CB-CB 4.31Å; L1556-R1561 HydrophobicContact CD2-CB 4.08Å; L1556-R1561 PolarHBondContact O-N 3.03Å; E1559-R1561 HydrophobicContact CB-CG 4.23Å; E1559-R1561 WeakPolarHBondContact OE2-CD 3.49Å; E1559-R1561 IonicContact OE2-CZ 2.89Å; E1559-R1561 IonicContact OE2-NE 2.85Å; E1559-R1561 IonicContact OE2-NH1 3.45Å; E1559-R1561 PolarHBondContact OE2-NH1 3.39Å; R1561-F1563 VanDerWaalsContact C-N 3.33Å; R1561-F1563 PolarHBondContact O-N 3.22Å; R1561-E1564 HydrophobicContact CB-CB 4.42Å; R1561-E1564 IonicContact CZ-OE1 3.32Å; R1561-E1564 IonicContact CZ-OE2 3.73Å; R1561-E1564 IonicContact NE-OE1 3.76Å; R1561-E1564 PolarHBondContact NE-OE1 2.79Å; R1561-E1564 IonicContact NE-OE2 3.68Å; R1561-E1564 IonicContact NH2-OE1 3.21Å; R1561-E1564 PolarHBondContact NH2-OE1 3Å; R1561-E1564 IonicContact NH2-OE2 2.76Å; R1561-E1564 PolarHBondContact NH2-OE2 3.34Å; R1561-E1564 PolarHBondContact O-N 2.83Å; R1561-A1565 PolarHBondContact O-N 3.43Å
1562	I	90.5	Very high	89.4	Confident	15 Å²	15	42.1 Å²	42.1	8%	0.077	20%	0.204	C	C	.	.	H	α-helix	trans	-58	-41.4	-167.1	-55.5	-48.5	0	0	0	112.9	G1560 A1565 A1566 Y1610 I1611 K1614	G1560-I1562 PolarHBondContact O-N 3.46Å; I1562-A1565 PolarHBondContact O-N 3.4Å; I1562-A1566 WeakPolarHBondContact O-CB 3.16Å; I1562-A1566 PolarHBondContact O-N 3.42Å; I1562-Y1610 HydrophobicContact CD1-CE1 3.9Å; I1562-I1611 HydrophobicContact CD1-CG2 4.43Å; I1562-I1611 HydrophobicContact CG2-CB 4.29Å; I1562-I1611 WeakPolarHBondContact CG2-O 3.45Å; I1562-K1614 HydrophobicContact CG2-CB 3.89Å; I1562-K1614 HydrophobicContact CG2-CG 4.04Å
1563	F	89.2	Confident	89.5	Confident	86 Å²	86	38 Å²	38	38%	0.377	18%	0.181	S	C	.	.	H	α-helix	trans	-65	-41.3	-179.6	-161.3	-81.9	0	0	0	111.9	R1561 A1566 E1567 M1618 W1620	R1561-F1563 VanDerWaalsContact C-N 3.33Å; R1561-F1563 PolarHBondContact O-N 3.22Å; F1563-A1566 PolarHBondContact O-N 3.24Å; F1563-E1567 PolarHBondContact O-N 3Å; F1563-M1618 HydrophobicContact CB-CE 4.41Å; F1563-M1618 HydrophobicContact CD2-CE 4.5Å; F1563-W1620 HydrophobicContact CD2-CB 4.3Å; F1563-W1620 AromaticContact CE1-CD1 3.59Å; F1563-W1620 HydrophobicContact CE2-CB 3.72Å; F1563-W1620 AromaticContact CE2-CD1 3.81Å; F1563-W1620 HydrophobicContact CE2-CG 4.17Å; F1563-W1620 HydrophobicContact CZ-CB 4.09Å; F1563-W1620 AromaticContact CZ-CD1 3.48Å; F1563-W1620 VanDerWaalsContact CZ-CD1 3.48Å; F1563-W1620 HydrophobicContact CZ-CG 4.1Å
1564	E	90.9	Very high	89.5	Confident	89 Å²	89	38 Å²	38	42%	0.416	18%	0.181	S	C	.	.	H	α-helix	trans	-71.9	-36.3	176.9	-60.1	177.3	-103.3	0	0	111.7	L1556 R1561 E1567 L1568	L1556-E1564 HydrophobicContact CD1-CB 4.1Å; R1561-E1564 HydrophobicContact CB-CB 4.42Å; R1561-E1564 IonicContact CZ-OE1 3.32Å; R1561-E1564 IonicContact CZ-OE2 3.73Å; R1561-E1564 IonicContact NE-OE1 3.76Å; R1561-E1564 PolarHBondContact NE-OE1 2.79Å; R1561-E1564 IonicContact NE-OE2 3.68Å; R1561-E1564 IonicContact NH2-OE1 3.21Å; R1561-E1564 PolarHBondContact NH2-OE1 3Å; R1561-E1564 IonicContact NH2-OE2 2.76Å; R1561-E1564 PolarHBondContact NH2-OE2 3.34Å; R1561-E1564 PolarHBondContact O-N 2.83Å; E1564-E1567 PolarHBondContact O-N 3.44Å; E1564-L1568 WeakPolarHBondContact O-CB 3.49Å; E1564-L1568 PolarHBondContact O-N 2.95Å
1565	A	92.5	Very high	89.6	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.5	-43.5	173.3	0	0	0	0	0	111.5	W1553 L1556 R1561 I1562 S1569 I1611	W1553-A1565 HydrophobicContact CB-CB 4.1Å; W1553-A1565 WeakPolarHBondContact CB-O 3.42Å; L1556-A1565 HydrophobicContact CB-CB 3.72Å; R1561-A1565 PolarHBondContact O-N 3.43Å; I1562-A1565 PolarHBondContact O-N 3.4Å; A1565-S1569 WeakPolarHBondContact O-CB 3.34Å; A1565-S1569 PolarHBondContact O-N 3.4Å; A1565-I1611 HydrophobicContact CB-CB 4.32Å; A1565-I1611 HydrophobicContact CB-CD1 3.98Å; A1565-I1611 HydrophobicContact CB-CG2 4.2Å
1566	A	92.5	Very high	90.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-68.1	-42.2	176.2	0	0	0	0	0	112.3	I1562 F1563 L1568 S1569 H1570 A1615	I1562-A1566 WeakPolarHBondContact O-CB 3.16Å; I1562-A1566 PolarHBondContact O-N 3.42Å; F1563-A1566 PolarHBondContact O-N 3.24Å; A1566-L1568 VanDerWaalsContact C-N 3.33Å; A1566-L1568 PolarHBondContact O-N 3.36Å; A1566-S1569 WeakPolarHBondContact O-CB 3.32Å; A1566-S1569 PolarHBondContact O-N 3.26Å; A1566-H1570 WeakPolarHBondContact O-CB 3.44Å; A1566-H1570 PolarHBondContact O-N 2.83Å; A1566-A1615 HydrophobicContact CB-CB 3.33Å
1567	E	90.7	Very high	90.2	Very high	53 Å²	53	31 Å²	31	25%	0.248	15%	0.15	C	C	.	.	H	α-helix	trans	-56.3	-48.2	174	-172.3	60.8	-139.9	0	0	111.1	F1563 E1564 S1569 H1570 Q1571 W1620	F1563-E1567 PolarHBondContact O-N 3Å; E1564-E1567 PolarHBondContact O-N 3.44Å; E1567-S1569 PolarHBondContact O-N 3.48Å; E1567-H1570 PolarHBondContact O-N 3.44Å; E1567-H1570 VanDerWaalsContact O-N 3.11Å; E1567-Q1571 WeakPolarHBondContact O-CG 3.39Å; E1567-Q1571 PolarHBondContact O-N 2.9Å; E1567-W1620 PolarHBondContact OE2-NE1 3.13Å
1568	L	91.4	Very high	90.6	Very high	34 Å²	34	30.9 Å²	30.9	18%	0.178	15%	0.149	C	C	.	.	H	α-helix	trans	-64.4	-40	179	-154.5	87.3	0	0	0	112.2	Y1549 N1552 W1553 E1564 A1566 H1570 Q1571	Y1549-L1568 HydrophobicContact CD2-CD2 4.44Å; Y1549-L1568 HydrophobicContact CD2-CG 4.16Å; N1552-L1568 HydrophobicContact CB-CD2 3.32Å; W1553-L1568 HydrophobicContact CB-CB 4.35Å; W1553-L1568 HydrophobicContact CB-CD2 4.18Å; E1564-L1568 WeakPolarHBondContact O-CB 3.49Å; E1564-L1568 PolarHBondContact O-N 2.95Å; A1566-L1568 VanDerWaalsContact C-N 3.33Å; A1566-L1568 PolarHBondContact O-N 3.36Å; L1568-H1570 VanDerWaalsContact C-N 3.25Å; L1568-H1570 PolarHBondContact O-N 3.47Å; L1568-Q1571 PolarHBondContact O-N 3.12Å
1569	S	93.7	Very high	91.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.3	-38.2	172.8	-164.9	0	0	0	0	111.7	A1565 A1566 E1567 N1573 P1576 N1612	A1565-S1569 WeakPolarHBondContact O-CB 3.34Å; A1565-S1569 PolarHBondContact O-N 3.4Å; A1566-S1569 WeakPolarHBondContact O-CB 3.32Å; A1566-S1569 PolarHBondContact O-N 3.26Å; E1567-S1569 PolarHBondContact O-N 3.48Å; S1569-N1573 WeakPolarHBondContact O-CB 3.43Å; S1569-N1573 PolarHBondContact O-N 3.35Å; S1569-N1573 VanDerWaalsContact O-N 3.13Å; S1569-P1576 WeakPolarHBondContact OG-CB 3.48Å; S1569-N1612 PolarHBondContact OG-ND2 3.13Å
1570	H	92.3	Very high	91.7	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-77.1	-19.9	-180	-94.5	-52.3	0	0	0	115.4	A1566 E1567 L1568 N1573 P1576 E1577 N1612 F1616 W1620 R1687	A1566-H1570 WeakPolarHBondContact O-CB 3.44Å; A1566-H1570 PolarHBondContact O-N 2.83Å; E1567-H1570 PolarHBondContact O-N 3.44Å; E1567-H1570 VanDerWaalsContact O-N 3.11Å; L1568-H1570 VanDerWaalsContact C-N 3.25Å; L1568-H1570 PolarHBondContact O-N 3.47Å; H1570-N1573 CarbonylContact C-O 2.99Å; H1570-N1573 WeakPolarHBondContact CA-O 3.3Å; H1570-N1573 PolarHBondContact ND1-O 3.02Å; H1570-P1576 WeakPolarHBondContact CE1-CD 3.5Å; H1570-P1576 WeakPolarHBondContact CE1-CG 3.45Å; H1570-P1576 WeakPolarHBondContact ND1-CD 3.23Å; H1570-P1576 WeakPolarHBondContact ND1-CG 3.49Å; H1570-E1577 IonicContact CE1-OE2 2.84Å; H1570-N1612 PolarHBondContact CD2-OD1 2.97Å; H1570-F1616 AromaticContact NE2-CE1 3.91Å; H1570-F1616 AromaticContact NE2-CZ 3.55Å; H1570-W1620 HydrophobicContact CB-CH2 3.92Å; H1570-W1620 HydrophobicContact CB-CZ2 3.75Å; H1570-W1620 AromaticContact CD2-CE2 3.89Å; H1570-W1620 AromaticContact CD2-CH2 3.11Å; H1570-W1620 WeakPolarHBondContact CD2-CH2 3.5Å; H1570-W1620 AromaticContact CD2-CZ2 3.35Å; H1570-W1620 WeakPolarHBondContact CD2-CZ2 3.4Å; H1570-W1620 AromaticContact CD2-CZ3 3.53Å; H1570-W1620 AromaticContact CG-CH2 3.41Å; H1570-W1620 VanDerWaalsContact CG-CH2 3.41Å; H1570-W1620 AromaticContact CG-CZ2 3.66Å; H1570-W1620 AromaticContact ND1-CH2 3.97Å; H1570-W1620 AromaticContact NE2-CH2 3.53Å; H1570-W1620 AromaticContact NE2-CZ3 3.49Å; H1570-W1620 WeakPolarHBondContact NE2-CZ3 3.45Å; H1570-R1687 PolarHBondContact CE1-NH2 2.85Å; H1570-R1687 PolarHBondContact NE2-NH2 2.97Å
1571	Q	89.9	Confident	92.2	Very high	95 Å²	95	25.5 Å²	25.5	44%	0.444	12%	0.115	S	C	.	.	H	α-helix	trans	-63.9	-43.5	176.6	-75	174	11	0	0	111.7	E1567 L1568 R1945	E1567-Q1571 WeakPolarHBondContact O-CG 3.39Å; E1567-Q1571 PolarHBondContact O-N 2.9Å; L1568-Q1571 PolarHBondContact O-N 3.12Å; Q1571-R1945 PolarHBondContact O-NH2 2.94Å
1572	T	90	Very high	92.3	Very high	13 Å²	13	21.5 Å²	21.5	8%	0.08	10%	0.102	C	C	.	.	H	α-helix	trans	-93.7	-32.3	-178.9	44.4	0	0	0	0	113.5	N1548 Y1549 R1945	N1548-T1572 WeakPolarHBondContact CA-OG1 3.39Å; N1548-T1572 PolarHBondContact OD1-OG1 3.18Å; N1548-T1572 VanDerWaalsContact OD1-OG1 3.05Å; Y1549-T1572 HydrophobicContact CD1-CG2 4.41Å; Y1549-T1572 HydrophobicContact CD2-CG2 3.77Å; Y1549-T1572 HydrophobicContact CE1-CG2 4.21Å; Y1549-T1572 HydrophobicContact CE2-CG2 3.55Å; Y1549-T1572 HydrophobicContact CG-CG2 4.21Å; T1572-R1945 VanDerWaalsContact O-CZ 3.29Å; T1572-R1945 PolarHBondContact O-NE 3.3Å
1573	N	94.4	Very high	92.4	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	10%	0.104	C	C	.	.			trans	-114.3	124.5	-176.2	-166	-10.8	0	0	0	111.1	V1546 S1569 H1570 L1575 P1576 C1579 E1608	V1546-N1573 HydrophobicContact CG2-CB 4.21Å; S1569-N1573 WeakPolarHBondContact O-CB 3.43Å; S1569-N1573 PolarHBondContact O-N 3.35Å; S1569-N1573 VanDerWaalsContact O-N 3.13Å; H1570-N1573 CarbonylContact C-O 2.99Å; H1570-N1573 WeakPolarHBondContact CA-O 3.3Å; H1570-N1573 PolarHBondContact ND1-O 3.02Å; N1573-L1575 PolarHBondContact OD1-N 3.25Å; N1573-P1576 HydrophobicContact CB-CB 4.11Å; N1573-P1576 WeakPolarHBondContact ND2-CA 3.25Å; N1573-P1576 WeakPolarHBondContact O-CD 3.44Å; N1573-C1579 WeakPolarHBondContact ND2-CB 3.36Å; N1573-C1579 PolarHBondContact ND2-SG 2.75Å; N1573-E1608 PolarHBondContact ND2-OE1 3.01Å
1574	T	93.5	Very high	92.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.086	C	C	.	.	S	Bend	trans	-74.2	-29.2	177.4	-62.8	0	0	0	0	112.4	P1576 D1648 F1691 R1945	T1574-P1576 VanDerWaalsContact C-CD 3.49Å; T1574-D1648 WeakPolarHBondContact CB-OD2 3.49Å; T1574-D1648 HydrophobicContact CG2-CB 3.53Å; T1574-D1648 WeakPolarHBondContact CG2-OD2 3.11Å; T1574-D1648 PolarHBondContact OG1-OD2 3.39Å; T1574-F1691 HydrophobicContact CG2-CE1 4.2Å; T1574-F1691 HydrophobicContact CG2-CZ 3.55Å; T1574-R1945 PolarHBondContact OG1-NH1 3.27Å; T1574-R1945 VanDerWaalsContact OG1-NH1 3.17Å
1575	L	95.2	Very high	92.3	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.068	C	C	.	.			trans	-132.4	53.5	-176.2	-55	174.6	0	0	0	112.7	N1573 E1577 V1578 C1579 L1644 L1670 R1687 F1691 I1941	N1573-L1575 PolarHBondContact OD1-N 3.25Å; L1575-E1577 VanDerWaalsContact C-N 3.32Å; L1575-E1577 PolarHBondContact O-N 2.94Å; L1575-V1578 HydrophobicContact CB-CB 4.01Å; L1575-V1578 HydrophobicContact CB-CG2 4.1Å; L1575-V1578 WeakPolarHBondContact O-CB 3.27Å; L1575-V1578 PolarHBondContact O-N 2.89Å; L1575-C1579 PolarHBondContact O-N 3.12Å; L1575-C1579 PolarHBondContact O-SG 3.45Å; L1575-L1644 HydrophobicContact CD1-CD1 4.37Å; L1575-L1670 HydrophobicContact CD1-CD1 4.07Å; L1575-R1687 HydrophobicContact CD2-CG 3.57Å; L1575-F1691 HydrophobicContact CD2-CE2 4.23Å; L1575-F1691 HydrophobicContact CD2-CZ 4.14Å; L1575-I1941 HydrophobicContact CB-CD1 3.9Å; L1575-I1941 HydrophobicContact CD1-CD1 4.08Å; L1575-I1941 HydrophobicContact CD1-CG1 4.44Å; L1575-I1941 HydrophobicContact CG-CD1 4.22Å
1576	P	94.6	Very high	92	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62	-34.1	-177.2	28	-36.4	0	0	0	113.3	S1569 H1570 N1573 T1574 V1578 C1579 G1580 E1608 N1612	S1569-P1576 WeakPolarHBondContact OG-CB 3.48Å; H1570-P1576 WeakPolarHBondContact CE1-CD 3.5Å; H1570-P1576 WeakPolarHBondContact CE1-CG 3.45Å; H1570-P1576 WeakPolarHBondContact ND1-CD 3.23Å; H1570-P1576 WeakPolarHBondContact ND1-CG 3.49Å; N1573-P1576 HydrophobicContact CB-CB 4.11Å; N1573-P1576 WeakPolarHBondContact ND2-CA 3.25Å; N1573-P1576 WeakPolarHBondContact O-CD 3.44Å; T1574-P1576 VanDerWaalsContact C-CD 3.49Å; P1576-V1578 PolarHBondContact O-N 2.84Å; P1576-C1579 PolarHBondContact O-N 3.43Å; P1576-G1580 PolarHBondContact O-N 3.5Å; P1576-E1608 HydrophobicContact CB-CG 3.87Å; P1576-E1608 WeakPolarHBondContact CB-OE1 3.4Å; P1576-N1612 WeakPolarHBondContact CB-ND2 3.41Å
1577	E	92.3	Very high	91.7	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-67.8	-21.8	175.4	76.2	-76.9	-170	0	0	113.4	H1570 L1575 R1581 N1612 F1616 V1683 R1687	H1570-E1577 IonicContact CE1-OE2 2.84Å; L1575-E1577 VanDerWaalsContact C-N 3.32Å; L1575-E1577 PolarHBondContact O-N 2.94Å; E1577-R1581 VanDerWaalsContact O-CD 3.28Å; E1577-R1581 WeakPolarHBondContact O-CD 3.48Å; E1577-R1581 WeakPolarHBondContact O-CG 3.38Å; E1577-R1581 PolarHBondContact O-NH1 3.33Å; E1577-N1612 HydrophobicContact CB-CB 4.1Å; E1577-F1616 HydrophobicContact CB-CE2 3.85Å; E1577-F1616 HydrophobicContact CG-CE2 3.86Å; E1577-F1616 HydrophobicContact CG-CZ 4.34Å; E1577-V1683 HydrophobicContact CG-CG1 3.52Å; E1577-R1687 IonicContact OE1-CZ 3.73Å; E1577-R1687 IonicContact OE1-NE 2.64Å; E1577-R1687 PolarHBondContact OE1-NE 2.92Å; E1577-R1687 IonicContact OE1-NH2 2.79Å; E1577-R1687 PolarHBondContact OE1-NH2 3.24Å; E1577-R1687 IonicContact OE2-CZ 2.89Å; E1577-R1687 IonicContact OE2-NH2 3.88Å; E1577-R1687 PolarHBondContact OE2-NH2 2.77Å
1578	V	94.8	Very high	91.7	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-85.6	-45.2	171	179.8	0	0	0	0	109.7	L1575 P1576 G1580 R1581 V1582 L1670 L1679 V1683 M1684	L1575-V1578 HydrophobicContact CB-CB 4.01Å; L1575-V1578 HydrophobicContact CB-CG2 4.1Å; L1575-V1578 WeakPolarHBondContact O-CB 3.27Å; L1575-V1578 PolarHBondContact O-N 2.89Å; P1576-V1578 PolarHBondContact O-N 2.84Å; V1578-G1580 PolarHBondContact O-N 2.98Å; V1578-R1581 WeakPolarHBondContact O-CA 3.46Å; V1578-R1581 WeakPolarHBondContact O-CB 3.29Å; V1578-R1581 PolarHBondContact O-N 2.99Å; V1578-V1582 HydrophobicContact CG1-CG2 3.88Å; V1578-V1582 WeakPolarHBondContact O-CG2 3.5Å; V1578-V1582 PolarHBondContact O-N 2.65Å; V1578-L1670 HydrophobicContact CG1-CD1 4.22Å; V1578-L1670 HydrophobicContact CG1-CD2 3.96Å; V1578-L1679 HydrophobicContact CG1-CD1 4.36Å; V1578-L1679 HydrophobicContact CG1-CD2 3.87Å; V1578-L1679 HydrophobicContact CG2-CD1 4.33Å; V1578-V1683 HydrophobicContact CG2-CG1 4.13Å; V1578-M1684 HydrophobicContact CG2-SD 3.93Å
1579	C	94.5	Very high	91.7	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.014	9%	0.089	C	C	.	.	H	α-helix	trans	-61.1	-42.6	-179.7	-67.2	0	0	0	0	112.6	N1573 L1575 P1576 R1581 V1582 C1583 Q1585	N1573-C1579 WeakPolarHBondContact ND2-CB 3.36Å; N1573-C1579 PolarHBondContact ND2-SG 2.75Å; L1575-C1579 PolarHBondContact O-N 3.12Å; L1575-C1579 PolarHBondContact O-SG 3.45Å; P1576-C1579 PolarHBondContact O-N 3.43Å; C1579-R1581 PolarHBondContact O-N 3.44Å; C1579-R1581 VanDerWaalsContact O-N 3.13Å; C1579-V1582 PolarHBondContact O-N 3.29Å; C1579-C1583 VanDerWaalsContact O-CB 3.24Å; C1579-C1583 WeakPolarHBondContact O-CB 3.16Å; C1579-C1583 PolarHBondContact O-N 3.07Å; C1579-Q1585 PolarHBondContact O-NE2 2.99Å
1580	G	92.3	Very high	91.7	Very high	2 Å²	2	19 Å²	19	2%	0.021	9%	0.09	C	C	.	.	H	α-helix	trans	-60.9	-18.5	173.8	0	0	0	0	0	114.2	P1576 V1578 Q1585 G1605 E1608	P1576-G1580 PolarHBondContact O-N 3.5Å; V1578-G1580 PolarHBondContact O-N 2.98Å; G1580-Q1585 VanDerWaalsContact C-NE2 3.33Å; G1580-Q1585 PolarHBondContact O-NE2 3.17Å; G1580-G1605 CarbonylContact C-O 3.52Å; G1580-G1605 WeakPolarHBondContact CA-O 3.37Å; G1580-G1605 CarbonylContact O-C 3.55Å; G1580-E1608 PolarHBondContact N-OE2 2.9Å
1581	R	92.7	Very high	91.5	Very high	39 Å²	39	20.1 Å²	20.1	15%	0.147	10%	0.101	C	C	.	.	H	α-helix	trans	-96.2	-46.8	176.2	-70.1	172.8	162.7	79.3	2.2	113.9	E1515 E1577 V1578 C1579 D1613 L1679	E1515-R1581 VanDerWaalsContact OE1-CD 3.28Å; E1515-R1581 WeakPolarHBondContact OE1-CD 3.41Å; E1515-R1581 IonicContact OE1-CZ 3.27Å; E1515-R1581 IonicContact OE1-NE 3.96Å; E1515-R1581 PolarHBondContact OE1-NE 2.92Å; E1515-R1581 IonicContact OE1-NH2 2.71Å; E1515-R1581 IonicContact OE2-CZ 2.89Å; E1515-R1581 IonicContact OE2-NE 3.29Å; E1515-R1581 PolarHBondContact OE2-NE 3.34Å; E1515-R1581 IonicContact OE2-NH2 3.53Å; E1577-R1581 VanDerWaalsContact O-CD 3.28Å; E1577-R1581 WeakPolarHBondContact O-CD 3.48Å; E1577-R1581 WeakPolarHBondContact O-CG 3.38Å; E1577-R1581 PolarHBondContact O-NH1 3.33Å; V1578-R1581 WeakPolarHBondContact O-CA 3.46Å; V1578-R1581 WeakPolarHBondContact O-CB 3.29Å; V1578-R1581 PolarHBondContact O-N 2.99Å; C1579-R1581 PolarHBondContact O-N 3.44Å; C1579-R1581 VanDerWaalsContact O-N 3.13Å; R1581-D1613 IonicContact CZ-OD1 3.7Å; R1581-D1613 IonicContact CZ-OD2 3.12Å; R1581-D1613 VanDerWaalsContact CZ-OD2 3.3Å; R1581-D1613 IonicContact NH1-OD1 3.54Å; R1581-D1613 PolarHBondContact NH1-OD1 3.37Å; R1581-D1613 IonicContact NH1-OD2 2.82Å; R1581-D1613 PolarHBondContact NH1-OD2 2.85Å; R1581-D1613 IonicContact NH2-OD1 2.77Å; R1581-D1613 PolarHBondContact NH2-OD1 3.38Å; R1581-D1613 IonicContact NH2-OD2 2.71Å; R1581-D1613 PolarHBondContact NH2-OD2 3.36Å; R1581-L1679 HydrophobicContact CB-CD1 4.44Å; R1581-L1679 VanDerWaalsContact CD-CD1 3.48Å
1582	V	91.4	Very high	91.4	Very high	21 Å²	21	17 Å²	17	13%	0.127	9%	0.09	C	C	.	.	H	α-helix	trans	-112.3	-9.4	-165.6	-48.7	0	0	0	0	115.6	V1578 C1579 I1674 L1679 V1937	V1578-V1582 HydrophobicContact CG1-CG2 3.88Å; V1578-V1582 WeakPolarHBondContact O-CG2 3.5Å; V1578-V1582 PolarHBondContact O-N 2.65Å; C1579-V1582 PolarHBondContact O-N 3.29Å; V1582-I1674 HydrophobicContact CB-CD1 4.29Å; V1582-I1674 HydrophobicContact CG1-CD1 4.24Å; V1582-I1674 HydrophobicContact CG1-CG2 4.29Å; V1582-I1674 HydrophobicContact CG2-CD1 4.29Å; V1582-L1679 HydrophobicContact CG1-CB 3.73Å; V1582-L1679 HydrophobicContact CG1-CD2 4.15Å; V1582-L1679 HydrophobicContact CG1-CG 4.39Å; V1582-V1937 HydrophobicContact CG2-CB 4.34Å; V1582-V1937 HydrophobicContact CG2-CG1 4.46Å; V1582-V1937 HydrophobicContact CG2-CG2 4.05Å
1583	C	91.3	Very high	91.1	Very high	16 Å²	16	17 Å²	17	11%	0.108	9%	0.09	C	C	.	.	S	Bend	trans	-67.8	140.1	174.6	-75.2	0	0	0	0	110.9	C1579 Q1585 L1588	C1579-C1583 VanDerWaalsContact O-CB 3.24Å; C1579-C1583 WeakPolarHBondContact O-CB 3.16Å; C1579-C1583 PolarHBondContact O-N 3.07Å; C1583-Q1585 HydrophobicContact CB-CG 4.2Å; C1583-Q1585 VanDerWaalsContact O-CD 3.28Å; C1583-Q1585 WeakPolarHBondContact O-CG 3.36Å; C1583-Q1585 PolarHBondContact O-N 3.08Å; C1583-Q1585 PolarHBondContact O-NE2 2.9Å; C1583-L1588 HydrophobicContact CB-CD1 4.38Å
1584	P	89.5	Confident	90.2	Very high	3 Å²	3	17.9 Å²	17.9	2%	0.019	10%	0.095	C	C	.	.			trans	-73.1	73.7	168.9	32.6	-35.3	0	0	0	109	D1586 R1587 L1588 L1936	P1584-D1586 PolarHBondContact O-N 2.78Å; P1584-R1587 PolarHBondContact O-N 3.27Å; P1584-L1588 HydrophobicContact CG-CD1 4.32Å; P1584-L1588 PolarHBondContact O-N 2.88Å; P1584-L1936 HydrophobicContact CG-CD1 3.58Å; P1584-L1936 HydrophobicContact CG-CD2 3.73Å; P1584-L1936 HydrophobicContact CG-CG 4.31Å
1585	Q	89.9	Confident	89.3	Confident	8 Å²	8	18.5 Å²	18.5	4%	0.037	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-57.5	-33.8	-173.4	-62.9	125.8	5.9	0	0	111.2	C1579 G1580 C1583 R1587 L1588 E1590 G1591	C1579-Q1585 PolarHBondContact O-NE2 2.99Å; G1580-Q1585 VanDerWaalsContact C-NE2 3.33Å; G1580-Q1585 PolarHBondContact O-NE2 3.17Å; C1583-Q1585 HydrophobicContact CB-CG 4.2Å; C1583-Q1585 VanDerWaalsContact O-CD 3.28Å; C1583-Q1585 WeakPolarHBondContact O-CG 3.36Å; C1583-Q1585 PolarHBondContact O-N 3.08Å; C1583-Q1585 PolarHBondContact O-NE2 2.9Å; Q1585-R1587 PolarHBondContact O-N 3.37Å; Q1585-R1587 VanDerWaalsContact O-N 3.08Å; Q1585-L1588 CarbonylContact O-C 3.57Å; Q1585-L1588 PolarHBondContact O-N 3.48Å; Q1585-E1590 HydrophobicContact CB-CB 4.09Å; Q1585-E1590 HydrophobicContact CB-CG 3.86Å; Q1585-E1590 WeakPolarHBondContact O-CA 3.42Å; Q1585-E1590 WeakPolarHBondContact O-CB 3.41Å; Q1585-E1590 PolarHBondContact O-N 3.5Å; Q1585-G1591 PolarHBondContact O-N 2.87Å
1586	D	86.2	Confident	88.6	Confident	37 Å²	37	20.8 Å²	20.8	20%	0.198	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-60.2	-11.5	174	62.2	-64.4	0	0	0	114.8	P1584 G1591 S1813 R1814	P1584-D1586 PolarHBondContact O-N 2.78Å; D1586-G1591 WeakPolarHBondContact O-CA 3.47Å; D1586-S1813 PolarHBondContact OD1-OG 2.81Å; D1586-R1814 VanDerWaalsContact OD2-CB 3.3Å; D1586-R1814 WeakPolarHBondContact OD2-CB 3.35Å; D1586-R1814 WeakPolarHBondContact OD2-CG 3.49Å; D1586-R1814 PolarHBondContact OD2-N 2.66Å
1587	R	85.5	Confident	87.1	Confident	124 Å²	124	27.5 Å²	27.5	47%	0.468	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-122	-1.5	176.6	-62.8	177.9	60	-150.8	-5.7	113.4	P1584 Q1585 P1811	P1584-R1587 PolarHBondContact O-N 3.27Å; Q1585-R1587 PolarHBondContact O-N 3.37Å; Q1585-R1587 VanDerWaalsContact O-N 3.08Å; R1587-P1811 VanDerWaalsContact NH1-C 3.33Å; R1587-P1811 PolarHBondContact NH1-O 2.93Å
1588	L	90.5	Very high	85.4	Confident	23 Å²	23	31.2 Å²	31.2	12%	0.12	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-111.4	-177.7	-62.9	179.9	0	0	0	109.9	P1545 C1583 P1584 Q1585 S1592 L1936 V1938	P1545-L1588 HydrophobicContact CG-CD2 4.49Å; C1583-L1588 HydrophobicContact CB-CD1 4.38Å; P1584-L1588 HydrophobicContact CG-CD1 4.32Å; P1584-L1588 PolarHBondContact O-N 2.88Å; Q1585-L1588 CarbonylContact O-C 3.57Å; Q1585-L1588 PolarHBondContact O-N 3.48Å; L1588-S1592 WeakPolarHBondContact O-CB 3.3Å; L1588-S1592 PolarHBondContact O-N 3.3Å; L1588-S1592 PolarHBondContact O-OG 3.21Å; L1588-L1936 HydrophobicContact CD1-CD1 3.87Å; L1588-L1936 HydrophobicContact CD2-CD1 4.17Å; L1588-L1936 HydrophobicContact CG-CD1 4.3Å; L1588-V1938 HydrophobicContact CD1-CG1 3.82Å
1589	C	92.1	Very high	83.7	Confident	9 Å²	9	32.2 Å²	32.2	6%	0.061	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-41.7	-172.4	53.8	0	0	0	0	114.2	C1540 I1550 C1593 I1604	C1540-C1589 HydrophobicContact CB-CB 4.34Å; C1540-C1589 WeakPolarHBondContact CB-O 3.48Å; C1540-C1589 WeakPolarHBondContact O-CB 3.34Å; I1550-C1589 HydrophobicContact CD1-CB 3.9Å; C1589-C1593 WeakPolarHBondContact O-CB 3.46Å; C1589-C1593 PolarHBondContact O-N 2.92Å; C1589-I1604 HydrophobicContact CB-CD1 4.09Å; C1589-I1604 HydrophobicContact CB-CG2 4.27Å; C1589-I1604 WeakPolarHBondContact O-CD1 3.38Å
1590	E	92	Very high	82.7	Confident	5 Å²	5	33 Å²	33	2%	0.023	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-44.9	175.5	-66.9	-171.1	-164.1	0	0	110.6	R1498 Q1585 S1592 C1593 N1596 A1601 V1602 T1603 I1604 G1605	R1498-E1590 IonicContact CZ-OE2 2.84Å; R1498-E1590 VanDerWaalsContact CZ-OE2 3.24Å; R1498-E1590 IonicContact NH1-OE2 3.56Å; R1498-E1590 PolarHBondContact NH1-OE2 3.18Å; R1498-E1590 IonicContact NH2-OE2 3.61Å; R1498-E1590 PolarHBondContact NH2-OE2 2.94Å; Q1585-E1590 HydrophobicContact CB-CB 4.09Å; Q1585-E1590 HydrophobicContact CB-CG 3.86Å; Q1585-E1590 WeakPolarHBondContact O-CA 3.42Å; Q1585-E1590 WeakPolarHBondContact O-CB 3.41Å; Q1585-E1590 PolarHBondContact O-N 3.5Å; E1590-S1592 PolarHBondContact O-N 2.77Å; E1590-S1592 VanDerWaalsContact O-N 3.13Å; E1590-C1593 WeakPolarHBondContact O-CB 3.45Å; E1590-C1593 PolarHBondContact O-N 3.47Å; E1590-N1596 WeakPolarHBondContact O-CB 3.45Å; E1590-N1596 PolarHBondContact O-OD1 3.07Å; E1590-A1601 HydrophobicContact CB-CB 3.88Å; E1590-A1601 HydrophobicContact CG-CB 4.45Å; E1590-A1601 WeakPolarHBondContact O-CB 3.28Å; E1590-V1602 WeakPolarHBondContact CG-O 3.17Å; E1590-T1603 WeakPolarHBondContact OE1-CA 3.31Å; E1590-I1604 HydrophobicContact CG-CB 3.99Å; E1590-I1604 HydrophobicContact CG-CD1 4.3Å; E1590-I1604 HydrophobicContact CG-CG1 4.36Å; E1590-I1604 PolarHBondContact OE1-N 3.4Å; E1590-I1604 VanDerWaalsContact OE1-N 3.14Å; E1590-G1605 PolarHBondContact OE1-N 2.79Å; E1590-G1605 VanDerWaalsContact OE1-N 3.11Å
1591	G	88.2	Confident	82.4	Confident	23 Å²	23	32.9 Å²	32.9	24%	0.237	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.3	176.9	0	0	0	0	0	114.8	Q1585 D1586	Q1585-G1591 PolarHBondContact O-N 2.87Å; D1586-G1591 WeakPolarHBondContact O-CA 3.47Å
1592	S	88.5	Confident	82.1	Confident	30 Å²	30	31.1 Å²	31.1	21%	0.21	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	10.5	173.5	-42.3	0	0	0	0	112.5	Y1539 K1543 L1588 E1590	Y1539-S1592 VanDerWaalsContact CB-O 3.27Å; Y1539-S1592 WeakPolarHBondContact CB-O 3.23Å; K1543-S1592 WeakPolarHBondContact CB-OG 3.5Å; K1543-S1592 VanDerWaalsContact CG-OG 3.29Å; K1543-S1592 WeakPolarHBondContact CG-OG 3.45Å; L1588-S1592 WeakPolarHBondContact O-CB 3.3Å; L1588-S1592 PolarHBondContact O-N 3.3Å; L1588-S1592 PolarHBondContact O-OG 3.21Å; E1590-S1592 PolarHBondContact O-N 2.77Å; E1590-S1592 VanDerWaalsContact O-N 3.13Å
1593	C	83.2	Confident	82	Confident	13 Å²	13	30.1 Å²	30.1	9%	0.088	16%	0.163	C	C	.	.	S	Bend	trans	-69.5	137.3	174.7	179.9	0	0	0	0	108.9	C1589 E1590 L1595 N1596 A1601 I1604	C1589-C1593 WeakPolarHBondContact O-CB 3.46Å; C1589-C1593 PolarHBondContact O-N 2.92Å; E1590-C1593 WeakPolarHBondContact O-CB 3.45Å; E1590-C1593 PolarHBondContact O-N 3.47Å; C1593-L1595 PolarHBondContact O-N 2.81Å; C1593-N1596 VanDerWaalsContact O-CB 3.28Å; C1593-N1596 WeakPolarHBondContact O-CB 3.35Å; C1593-N1596 PolarHBondContact O-N 2.93Å; C1593-A1601 HydrophobicContact CB-CB 3.54Å; C1593-I1604 HydrophobicContact CB-CD1 4.33Å
1594	T	75.1	Confident	82.2	Confident	19 Å²	19	29.5 Å²	29.5	12%	0.117	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-31.2	177.7	-63.5	0	0	0	0	115.2	I1453 L1533 C1535	I1453-T1594 HydrophobicContact CB-CG2 3.69Å; I1453-T1594 HydrophobicContact CD1-CG2 3.99Å; I1453-T1594 HydrophobicContact CG1-CG2 4.45Å; I1453-T1594 HydrophobicContact CG2-CG2 3.3Å; L1533-T1594 HydrophobicContact CD1-CG2 3.5Å; C1535-T1594 PolarHBondContact SG-OG1 3.45Å; C1535-T1594 VanDerWaalsContact SG-OG1 3.35Å
1595	L	74.9	Confident	82.3	Confident	13 Å²	13	29.3 Å²	29.3	7%	0.068	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-0.4	-176.9	-69.7	-177.1	0	0	0	114.3	R1531 L1533 C1593 D1597 F1599 G1600 V1602	R1531-L1595 HydrophobicContact CB-CD1 4.37Å; R1531-L1595 WeakPolarHBondContact O-CD1 3.38Å; L1533-L1595 HydrophobicContact CD1-CD2 3.88Å; L1533-L1595 HydrophobicContact CD1-CG 4.28Å; L1533-L1595 HydrophobicContact CD2-CD2 4.49Å; L1533-L1595 HydrophobicContact CG-CD2 4.23Å; L1533-L1595 HydrophobicContact CG-CG 4.37Å; C1593-L1595 PolarHBondContact O-N 2.81Å; L1595-D1597 PolarHBondContact O-N 2.8Å; L1595-F1599 HydrophobicContact CB-CB 4.14Å; L1595-F1599 HydrophobicContact CD2-CB 4.2Å; L1595-F1599 HydrophobicContact CD2-CD2 3.71Å; L1595-F1599 HydrophobicContact CD2-CE2 4.42Å; L1595-F1599 HydrophobicContact CD2-CG 4.04Å; L1595-F1599 CarbonylContact O-C 3.49Å; L1595-F1599 WeakPolarHBondContact O-CB 3.39Å; L1595-F1599 PolarHBondContact O-N 3.03Å; L1595-F1599 VanDerWaalsContact O-N 3.16Å; L1595-G1600 CarbonylContact O-C 3.54Å; L1595-G1600 PolarHBondContact O-N 3.45Å; L1595-G1600 VanDerWaalsContact O-N 3.08Å; L1595-V1602 HydrophobicContact CD1-CG2 4.19Å
1596	N	80.9	Confident	82.4	Confident	48 Å²	48	29.5 Å²	29.5	26%	0.257	16%	0.159	S	C	.	.	H	α-helix	trans	-63.4	-47.3	-164.2	-172.3	61.2	0	0	0	114.5	E1590 C1593 E1598 G1600 A1601	E1590-N1596 WeakPolarHBondContact O-CB 3.45Å; E1590-N1596 PolarHBondContact O-OD1 3.07Å; C1593-N1596 VanDerWaalsContact O-CB 3.28Å; C1593-N1596 WeakPolarHBondContact O-CB 3.35Å; C1593-N1596 PolarHBondContact O-N 2.93Å; N1596-E1598 PolarHBondContact O-N 2.74Å; N1596-G1600 PolarHBondContact O-N 2.85Å; N1596-A1601 HydrophobicContact CB-CB 3.98Å; N1596-A1601 WeakPolarHBondContact OD1-CB 3.42Å
1597	D	62.4	Low	82.7	Confident	142 Å²	142	27.8 Å²	27.8	76%	0.759	15%	0.15	S	C	*	.	H	α-helix	trans	-80	-17	-160	-58.6	-30.7	0	0	0	114.2	L1595	L1595-D1597 PolarHBondContact O-N 2.8Å
1598	E	56.6	Low	83.2	Confident	78 Å²	78	22.4 Å²	22.4	36%	0.364	13%	0.13	S	C	.	.	H	α-helix	trans	-126.7	-44.2	172.1	-65.5	-161.4	168.3	0	0	114.4	A1450 L1451 N1596	A1450-E1598 WeakPolarHBondContact CB-OE1 3.41Å; L1451-E1598 WeakPolarHBondContact CD1-OE2 3.27Å; L1451-E1598 HydrophobicContact CD2-CB 3.83Å; L1451-E1598 HydrophobicContact CD2-CG 3.53Å; L1451-E1598 WeakPolarHBondContact CD2-OE2 3.41Å; L1451-E1598 HydrophobicContact CG-CG 4.34Å; L1451-E1598 WeakPolarHBondContact CG-OE2 3.39Å; N1596-E1598 PolarHBondContact O-N 2.74Å
1599	F	59.5	Low	83.4	Confident	21 Å²	21	22.5 Å²	22.5	9%	0.092	13%	0.129	C	C	.	.	H	α-helix	trans	-87.2	-9	-173.7	-55.4	-83.6	0	0	0	113.5	L1446 L1451 H1454 L1490 K1492 R1531 L1595	L1446-F1599 HydrophobicContact CD1-CD1 4.19Å; L1446-F1599 HydrophobicContact CD1-CE1 3.25Å; L1446-F1599 HydrophobicContact CD1-CZ 3.46Å; L1446-F1599 VanDerWaalsContact CD1-CZ 3.46Å; L1451-F1599 HydrophobicContact CD1-CE2 3.86Å; L1451-F1599 HydrophobicContact CD1-CZ 3.89Å; L1451-F1599 HydrophobicContact CD2-CD2 4.41Å; L1451-F1599 HydrophobicContact CD2-CE2 3.66Å; L1451-F1599 HydrophobicContact CD2-CZ 4.46Å; L1451-F1599 HydrophobicContact CG-CE2 4.42Å; H1454-F1599 AromaticContact CD2-CE2 3.64Å; H1454-F1599 AromaticContact NE2-CD2 3.98Å; H1454-F1599 AromaticContact NE2-CE2 3.36Å; H1454-F1599 WeakPolarHBondContact NE2-CE2 3.39Å; H1454-F1599 AromaticContact NE2-CZ 3.96Å; L1490-F1599 HydrophobicContact CD2-CE2 4.34Å; L1490-F1599 HydrophobicContact CD2-CZ 3.64Å; K1492-F1599 HydrophobicContact CD-CD1 3.74Å; K1492-F1599 HydrophobicContact CD-CE1 3.59Å; K1492-F1599 VanDerWaalsContact CE-CD1 3.49Å; K1492-F1599 HydrophobicContact CG-CD1 4.48Å; K1492-F1599 HydrophobicContact CG-CE1 3.83Å; R1531-F1599 PolarHBondContact NH2-O 3.47Å; L1595-F1599 HydrophobicContact CB-CB 4.14Å; L1595-F1599 HydrophobicContact CD2-CB 4.2Å; L1595-F1599 HydrophobicContact CD2-CD2 3.71Å; L1595-F1599 HydrophobicContact CD2-CE2 4.42Å; L1595-F1599 HydrophobicContact CD2-CG 4.04Å; L1595-F1599 CarbonylContact O-C 3.49Å; L1595-F1599 WeakPolarHBondContact O-CB 3.39Å; L1595-F1599 PolarHBondContact O-N 3.03Å; L1595-F1599 VanDerWaalsContact O-N 3.16Å
1600	G	73.5	Confident	83.4	Confident	18 Å²	18	22.9 Å²	22.9	19%	0.186	13%	0.129	C	C	.	.			trans	68.2	130	-162.5	0	0	0	0	0	111.6	R1531 L1595 N1596	R1531-G1600 PolarHBondContact NH1-O 3.24Å; R1531-G1600 PolarHBondContact NH2-O 2.92Å; L1595-G1600 CarbonylContact O-C 3.54Å; L1595-G1600 PolarHBondContact O-N 3.45Å; L1595-G1600 VanDerWaalsContact O-N 3.08Å; N1596-G1600 PolarHBondContact O-N 2.85Å
1601	A	86	Confident	83.6	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.128	C	C	.	.			trans	-54.7	154.6	-175.6	0	0	0	0	0	113.2	R1498 R1531 E1590 C1593 N1596 T1603	R1498-A1601 WeakPolarHBondContact CD-O 3.38Å; R1498-A1601 PolarHBondContact NH1-O 2.93Å; R1498-A1601 VanDerWaalsContact NH1-O 3.11Å; R1531-A1601 PolarHBondContact NH1-O 3.32Å; E1590-A1601 HydrophobicContact CB-CB 3.88Å; E1590-A1601 HydrophobicContact CG-CB 4.45Å; E1590-A1601 WeakPolarHBondContact O-CB 3.28Å; C1593-A1601 HydrophobicContact CB-CB 3.54Å; N1596-A1601 HydrophobicContact CB-CB 3.98Å; N1596-A1601 WeakPolarHBondContact OD1-CB 3.42Å; A1601-T1603 PolarHBondContact O-N 2.91Å
1602	V	86.4	Confident	83.9	Confident	3 Å²	3	21.6 Å²	21.6	2%	0.018	12%	0.117	C	C	.	.			trans	-50.5	138.1	161.2	179.2	0	0	0	0	108.1	R1531 C1532 L1554 E1590 L1595 I1604 I1607	R1531-V1602 HydrophobicContact CB-CG2 4.12Å; C1532-V1602 HydrophobicContact CB-CG2 4.44Å; L1554-V1602 HydrophobicContact CD1-CG1 3.96Å; L1554-V1602 HydrophobicContact CD2-CG1 4.01Å; E1590-V1602 WeakPolarHBondContact CG-O 3.17Å; L1595-V1602 HydrophobicContact CD1-CG2 4.19Å; V1602-I1604 HydrophobicContact CB-CG1 4.05Å; V1602-I1604 HydrophobicContact CG1-CG1 4.03Å; V1602-I1604 PolarHBondContact O-N 3.18Å; V1602-I1607 HydrophobicContact CG1-CD1 4.02Å
1603	T	90.4	Very high	84	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.			trans	-80.5	53.7	-176.5	44.1	0	0	0	0	112.1	R1498 F1520 Q1528 E1590 A1601 G1605 N1606 I1607	R1498-T1603 HydrophobicContact CG-CG2 3.93Å; F1520-T1603 WeakPolarHBondContact CE2-OG1 3.37Å; F1520-T1603 HydrophobicContact CZ-CG2 4.35Å; F1520-T1603 WeakPolarHBondContact CZ-OG1 3.49Å; Q1528-T1603 WeakPolarHBondContact CB-OG1 3.28Å; E1590-T1603 WeakPolarHBondContact OE1-CA 3.31Å; A1601-T1603 PolarHBondContact O-N 2.91Å; T1603-G1605 VanDerWaalsContact C-N 3.33Å; T1603-G1605 PolarHBondContact O-N 3.29Å; T1603-N1606 PolarHBondContact O-N 3.16Å; T1603-I1607 WeakPolarHBondContact O-CG1 3.35Å; T1603-I1607 PolarHBondContact O-N 3.47Å
1604	I	93.9	Very high	84.4	Confident	2 Å²	2	23.9 Å²	23.9	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-46.5	-51	-171.8	-63.5	163.3	0	0	0	111.5	C1540 I1550 W1553 L1554 C1589 E1590 C1593 V1602 N1606 I1607 E1608	C1540-I1604 HydrophobicContact CB-CD1 3.75Å; I1550-I1604 HydrophobicContact CD1-CG2 4.09Å; I1550-I1604 HydrophobicContact CG1-CG2 4.02Å; I1550-I1604 HydrophobicContact CG2-CD1 4.06Å; I1550-I1604 HydrophobicContact CG2-CG1 4.06Å; I1550-I1604 HydrophobicContact CG2-CG2 3.97Å; W1553-I1604 HydrophobicContact CH2-CG2 3.69Å; W1553-I1604 HydrophobicContact CZ2-CG2 4.09Å; L1554-I1604 HydrophobicContact CD1-CG1 4.43Å; C1589-I1604 HydrophobicContact CB-CD1 4.09Å; C1589-I1604 HydrophobicContact CB-CG2 4.27Å; C1589-I1604 WeakPolarHBondContact O-CD1 3.38Å; E1590-I1604 HydrophobicContact CG-CB 3.99Å; E1590-I1604 HydrophobicContact CG-CD1 4.3Å; E1590-I1604 HydrophobicContact CG-CG1 4.36Å; E1590-I1604 PolarHBondContact OE1-N 3.4Å; E1590-I1604 VanDerWaalsContact OE1-N 3.14Å; C1593-I1604 HydrophobicContact CB-CD1 4.33Å; V1602-I1604 HydrophobicContact CB-CG1 4.05Å; V1602-I1604 HydrophobicContact CG1-CG1 4.03Å; V1602-I1604 PolarHBondContact O-N 3.18Å; I1604-N1606 VanDerWaalsContact C-N 3.33Å; I1604-N1606 PolarHBondContact O-N 3.34Å; I1604-I1607 PolarHBondContact O-N 3.13Å; I1604-E1608 WeakPolarHBondContact O-CB 3.38Å; I1604-E1608 PolarHBondContact O-N 3.05Å
1605	G	92.3	Very high	85.2	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-66.3	-35.4	-176	0	0	0	0	0	113.2	G1580 E1590 T1603 R1609	G1580-G1605 CarbonylContact C-O 3.52Å; G1580-G1605 WeakPolarHBondContact CA-O 3.37Å; G1580-G1605 CarbonylContact O-C 3.55Å; E1590-G1605 PolarHBondContact OE1-N 2.79Å; E1590-G1605 VanDerWaalsContact OE1-N 3.11Å; T1603-G1605 VanDerWaalsContact C-N 3.33Å; T1603-G1605 PolarHBondContact O-N 3.29Å; G1605-R1609 WeakPolarHBondContact O-CB 3.16Å; G1605-R1609 PolarHBondContact O-N 2.73Å
1606	N	92	Very high	85.9	Confident	12 Å²	12	23 Å²	23	6%	0.064	12%	0.116	C	C	.	.	H	α-helix	trans	-74.3	-30.8	178	-65.2	-46.4	0	0	0	112.3	P1501 F1520 T1603 I1604 Y1610 R1815	P1501-N1606 WeakPolarHBondContact CD-ND2 3.42Å; P1501-N1606 HydrophobicContact CG-CB 4.37Å; P1501-N1606 WeakPolarHBondContact CG-ND2 3.39Å; F1520-N1606 HydrophobicContact CD2-CB 3.97Å; F1520-N1606 HydrophobicContact CE2-CB 3.45Å; F1520-N1606 VanDerWaalsContact CE2-CB 3.45Å; F1520-N1606 HydrophobicContact CZ-CB 4.09Å; T1603-N1606 PolarHBondContact O-N 3.16Å; I1604-N1606 VanDerWaalsContact C-N 3.33Å; I1604-N1606 PolarHBondContact O-N 3.34Å; N1606-Y1610 WeakPolarHBondContact O-CB 3.36Å; N1606-Y1610 PolarHBondContact O-N 2.79Å; N1606-R1815 PolarHBondContact ND2-NH2 2.89Å
1607	I	93.4	Very high	86.3	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-76.4	-41	174.1	-57.8	161.1	0	0	0	110.2	F1520 Q1528 A1529 W1553 L1554 A1557 V1602 T1603 I1604 R1609 Y1610 I1611	F1520-I1607 HydrophobicContact CD2-CG1 4.33Å; F1520-I1607 HydrophobicContact CE2-CG1 4.13Å; Q1528-I1607 HydrophobicContact CB-CD1 4.13Å; A1529-I1607 HydrophobicContact CB-CD1 4.07Å; W1553-I1607 HydrophobicContact CZ3-CB 4.19Å; W1553-I1607 HydrophobicContact CZ3-CG2 3.95Å; L1554-I1607 HydrophobicContact CD2-CB 4.14Å; L1554-I1607 HydrophobicContact CD2-CD1 3.55Å; L1554-I1607 HydrophobicContact CD2-CG1 4.45Å; L1554-I1607 HydrophobicContact CD2-CG2 3.92Å; A1557-I1607 HydrophobicContact CB-CG2 3.97Å; V1602-I1607 HydrophobicContact CG1-CD1 4.02Å; T1603-I1607 WeakPolarHBondContact O-CG1 3.35Å; T1603-I1607 PolarHBondContact O-N 3.47Å; I1604-I1607 PolarHBondContact O-N 3.13Å; I1607-R1609 VanDerWaalsContact C-N 3.31Å; I1607-R1609 PolarHBondContact O-N 2.88Å; I1607-Y1610 PolarHBondContact O-N 2.73Å; I1607-Y1610 VanDerWaalsContact O-N 3.12Å; I1607-I1611 HydrophobicContact CG2-CG2 4.24Å; I1607-I1611 WeakPolarHBondContact O-CG1 2.92Å; I1607-I1611 PolarHBondContact O-N 3.05Å
1608	E	95.2	Very high	87.6	Confident	12 Å²	12	25.4 Å²	25.4	6%	0.056	12%	0.123	C	C	.	.	H	α-helix	trans	-57	-44.6	171.5	-170.3	-178.4	-148.8	0	0	110.7	N1548 W1553 N1573 P1576 G1580 I1604 I1611 N1612	N1548-E1608 PolarHBondContact ND2-OE1 3.17Å; W1553-E1608 HydrophobicContact CH2-CB 3.75Å; W1553-E1608 HydrophobicContact CH2-CG 4.43Å; W1553-E1608 HydrophobicContact CZ2-CB 4.1Å; W1553-E1608 HydrophobicContact CZ2-CG 4.3Å; W1553-E1608 HydrophobicContact CZ3-CB 4.43Å; N1573-E1608 PolarHBondContact ND2-OE1 3.01Å; P1576-E1608 HydrophobicContact CB-CG 3.87Å; P1576-E1608 WeakPolarHBondContact CB-OE1 3.4Å; G1580-E1608 PolarHBondContact N-OE2 2.9Å; I1604-E1608 WeakPolarHBondContact O-CB 3.38Å; I1604-E1608 PolarHBondContact O-N 3.05Å; E1608-I1611 WeakPolarHBondContact O-CG1 3.24Å; E1608-N1612 WeakPolarHBondContact O-CB 3.16Å; E1608-N1612 PolarHBondContact O-N 3.11Å; E1608-N1612 PolarHBondContact O-ND2 3.4Å
1609	R	93.9	Very high	89.1	Confident	24 Å²	24	24 Å²	24	9%	0.091	13%	0.129	C	C	.	.	H	α-helix	trans	-56.9	-54.2	170.4	174.9	-177	174.8	-179.7	6.7	111.4	E1515 Y1517 G1605 I1607 I1611 N1612 D1613	E1515-R1609 IonicContact OE2-CZ 3.6Å; E1515-R1609 IonicContact OE2-NE 3.62Å; E1515-R1609 IonicContact OE2-NH1 3.53Å; E1515-R1609 PolarHBondContact OE2-NH1 3.3Å; E1515-R1609 IonicContact OE2-NH2 3.56Å; E1515-R1609 PolarHBondContact OE2-NH2 3.25Å; Y1517-R1609 PolarHBondContact O-NH1 3.19Å; G1605-R1609 WeakPolarHBondContact O-CB 3.16Å; G1605-R1609 PolarHBondContact O-N 2.73Å; I1607-R1609 VanDerWaalsContact C-N 3.31Å; I1607-R1609 PolarHBondContact O-N 2.88Å; R1609-I1611 PolarHBondContact O-N 2.9Å; R1609-N1612 PolarHBondContact O-N 2.99Å; R1609-D1613 WeakPolarHBondContact CG-OD2 3.43Å; R1609-D1613 IonicContact NE-OD2 2.7Å; R1609-D1613 PolarHBondContact NE-OD2 3.28Å; R1609-D1613 WeakPolarHBondContact O-CB 3.42Å; R1609-D1613 PolarHBondContact O-N 3.08Å
1610	Y	93.7	Very high	90.5	Very high	18 Å²	18	23 Å²	23	7%	0.071	12%	0.124	C	C	.	.	H	α-helix	trans	-58.3	-49.9	-175	169.8	-96.3	0	0	0	112.5	F1520 E1522 A1525 I1562 N1606 I1607 N1612 K1614	F1520-Y1610 HydrophobicContact CB-CD2 4.37Å; F1520-Y1610 WeakPolarHBondContact O-CD2 3.5Å; F1520-Y1610 VanDerWaalsContact O-CE2 3.3Å; F1520-Y1610 WeakPolarHBondContact O-CE2 3.28Å; E1522-Y1610 WeakPolarHBondContact CA-OH 3.48Å; E1522-Y1610 WeakPolarHBondContact CB-OH 3.44Å; E1522-Y1610 WeakPolarHBondContact CG-OH 3.49Å; A1525-Y1610 HydrophobicContact CB-CD1 3.39Å; A1525-Y1610 HydrophobicContact CB-CD2 4.22Å; A1525-Y1610 HydrophobicContact CB-CE1 3.49Å; A1525-Y1610 VanDerWaalsContact CB-CE1 3.49Å; A1525-Y1610 HydrophobicContact CB-CE2 4.3Å; A1525-Y1610 HydrophobicContact CB-CG 3.79Å; I1562-Y1610 HydrophobicContact CD1-CE1 3.9Å; N1606-Y1610 WeakPolarHBondContact O-CB 3.36Å; N1606-Y1610 PolarHBondContact O-N 2.79Å; I1607-Y1610 PolarHBondContact O-N 2.73Å; I1607-Y1610 VanDerWaalsContact O-N 3.12Å; Y1610-N1612 PolarHBondContact O-N 3.17Å; Y1610-K1614 WeakPolarHBondContact O-CB 3.37Å; Y1610-K1614 PolarHBondContact O-N 3.41Å
1611	I	94.8	Very high	91.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.8	-40.7	-176.2	65	-173.4	0	0	0	111.6	W1553 A1557 I1562 A1565 I1607 E1608 R1609 A1615	W1553-I1611 HydrophobicContact CB-CD1 4.3Å; W1553-I1611 HydrophobicContact CD2-CD1 3.92Å; W1553-I1611 HydrophobicContact CE3-CD1 3.59Å; W1553-I1611 HydrophobicContact CG-CD1 4.26Å; W1553-I1611 HydrophobicContact CZ3-CD1 4.18Å; A1557-I1611 HydrophobicContact CB-CG2 3.77Å; I1562-I1611 HydrophobicContact CD1-CG2 4.43Å; I1562-I1611 HydrophobicContact CG2-CB 4.29Å; I1562-I1611 WeakPolarHBondContact CG2-O 3.45Å; A1565-I1611 HydrophobicContact CB-CB 4.32Å; A1565-I1611 HydrophobicContact CB-CD1 3.98Å; A1565-I1611 HydrophobicContact CB-CG2 4.2Å; I1607-I1611 HydrophobicContact CG2-CG2 4.24Å; I1607-I1611 WeakPolarHBondContact O-CG1 2.92Å; I1607-I1611 PolarHBondContact O-N 3.05Å; E1608-I1611 WeakPolarHBondContact O-CG1 3.24Å; R1609-I1611 PolarHBondContact O-N 2.9Å; I1611-A1615 VanDerWaalsContact O-CB 3.23Å; I1611-A1615 WeakPolarHBondContact O-CB 3.44Å; I1611-A1615 PolarHBondContact O-N 3.29Å
1612	N	94.4	Very high	91	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-75	-46.1	-178.2	-71	-72.9	0	0	0	111.6	S1569 H1570 P1576 E1577 E1608 R1609 Y1610 K1614 A1615 F1616	S1569-N1612 PolarHBondContact OG-ND2 3.13Å; H1570-N1612 PolarHBondContact CD2-OD1 2.97Å; P1576-N1612 WeakPolarHBondContact CB-ND2 3.41Å; E1577-N1612 HydrophobicContact CB-CB 4.1Å; E1608-N1612 WeakPolarHBondContact O-CB 3.16Å; E1608-N1612 PolarHBondContact O-N 3.11Å; E1608-N1612 PolarHBondContact O-ND2 3.4Å; R1609-N1612 PolarHBondContact O-N 2.99Å; Y1610-N1612 PolarHBondContact O-N 3.17Å; N1612-K1614 VanDerWaalsContact C-N 3.29Å; N1612-K1614 PolarHBondContact O-N 3.24Å; N1612-A1615 PolarHBondContact O-N 3.23Å; N1612-F1616 HydrophobicContact CB-CE2 4.04Å; N1612-F1616 HydrophobicContact CB-CZ 4.39Å; N1612-F1616 WeakPolarHBondContact O-CD2 3.44Å; N1612-F1616 VanDerWaalsContact O-CE2 3.24Å; N1612-F1616 WeakPolarHBondContact O-CE2 3.24Å; N1612-F1616 WeakPolarHBondContact O-CG 3.28Å; N1612-F1616 PolarHBondContact O-N 2.85Å
1613	D	92.4	Very high	91	Very high	17 Å²	17	33.8 Å²	33.8	9%	0.091	17%	0.169	C	C	.	.	H	α-helix	trans	-56	-45.3	173.9	-80.9	-25.7	0	0	0	111.2	R1581 R1609 F1616 E1617 R1686	R1581-D1613 IonicContact CZ-OD1 3.7Å; R1581-D1613 IonicContact CZ-OD2 3.12Å; R1581-D1613 VanDerWaalsContact CZ-OD2 3.3Å; R1581-D1613 IonicContact NH1-OD1 3.54Å; R1581-D1613 PolarHBondContact NH1-OD1 3.37Å; R1581-D1613 IonicContact NH1-OD2 2.82Å; R1581-D1613 PolarHBondContact NH1-OD2 2.85Å; R1581-D1613 IonicContact NH2-OD1 2.77Å; R1581-D1613 PolarHBondContact NH2-OD1 3.38Å; R1581-D1613 IonicContact NH2-OD2 2.71Å; R1581-D1613 PolarHBondContact NH2-OD2 3.36Å; R1609-D1613 WeakPolarHBondContact CG-OD2 3.43Å; R1609-D1613 IonicContact NE-OD2 2.7Å; R1609-D1613 PolarHBondContact NE-OD2 3.28Å; R1609-D1613 WeakPolarHBondContact O-CB 3.42Å; R1609-D1613 PolarHBondContact O-N 3.08Å; D1613-F1616 PolarHBondContact O-N 3.34Å; D1613-E1617 PolarHBondContact O-N 3.47Å; D1613-E1617 VanDerWaalsContact O-N 3.12Å; D1613-R1686 IonicContact OD1-CZ 3.89Å; D1613-R1686 IonicContact OD1-NH2 2.63Å; D1613-R1686 PolarHBondContact OD1-NH2 3.43Å
1614	K	91.6	Very high	90.9	Very high	75 Å²	75	36.1 Å²	36.1	33%	0.326	18%	0.181	S	C	.	.	H	α-helix	trans	-68.5	-35.4	178.8	-166.2	73.3	-160.2	164.4	0	112.8	I1562 Y1610 N1612 E1617 M1618	I1562-K1614 HydrophobicContact CG2-CB 3.89Å; I1562-K1614 HydrophobicContact CG2-CG 4.04Å; Y1610-K1614 WeakPolarHBondContact O-CB 3.37Å; Y1610-K1614 PolarHBondContact O-N 3.41Å; N1612-K1614 VanDerWaalsContact C-N 3.29Å; N1612-K1614 PolarHBondContact O-N 3.24Å; K1614-E1617 WeakPolarHBondContact CD-OE2 3.36Å; K1614-E1617 WeakPolarHBondContact CE-OE2 3.36Å; K1614-E1617 IonicContact NZ-OE2 2.77Å; K1614-E1617 PolarHBondContact NZ-OE2 3.34Å; K1614-E1617 WeakPolarHBondContact O-CB 3.49Å; K1614-E1617 PolarHBondContact O-N 2.86Å; K1614-M1618 HydrophobicContact CG-SD 4.4Å; K1614-M1618 VanDerWaalsContact O-CG 3.27Å; K1614-M1618 WeakPolarHBondContact O-CG 3.28Å; K1614-M1618 PolarHBondContact O-N 3.5Å
1615	A	91.4	Very high	90.5	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65	-38.2	173.2	0	0	0	0	0	112.2	A1566 I1611 N1612 M1618 G1619 W1620	A1566-A1615 HydrophobicContact CB-CB 3.33Å; I1611-A1615 VanDerWaalsContact O-CB 3.23Å; I1611-A1615 WeakPolarHBondContact O-CB 3.44Å; I1611-A1615 PolarHBondContact O-N 3.29Å; N1612-A1615 PolarHBondContact O-N 3.23Å; A1615-M1618 CarbonylContact O-C 3.56Å; A1615-M1618 WeakPolarHBondContact O-CA 3.47Å; A1615-M1618 WeakPolarHBondContact O-CB 3.37Å; A1615-M1618 PolarHBondContact O-N 3.12Å; A1615-M1618 VanDerWaalsContact O-N 3.13Å; A1615-G1619 PolarHBondContact O-N 3.21Å; A1615-W1620 HydrophobicContact CB-CB 3.85Å; A1615-W1620 HydrophobicContact CB-CG 4.25Å; A1615-W1620 WeakPolarHBondContact O-CB 3.22Å; A1615-W1620 PolarHBondContact O-N 2.92Å
1616	F	90.2	Very high	90.1	Very high	14 Å²	14	44.1 Å²	44.1	6%	0.061	25%	0.248	C	C	.	.	H	α-helix	trans	-66.6	-38	173.5	-56.2	-55.9	0	0	0	112.7	H1570 E1577 N1612 D1613 M1618 G1619 W1620 I1690	H1570-F1616 AromaticContact NE2-CE1 3.91Å; H1570-F1616 AromaticContact NE2-CZ 3.55Å; E1577-F1616 HydrophobicContact CB-CE2 3.85Å; E1577-F1616 HydrophobicContact CG-CE2 3.86Å; E1577-F1616 HydrophobicContact CG-CZ 4.34Å; N1612-F1616 HydrophobicContact CB-CE2 4.04Å; N1612-F1616 HydrophobicContact CB-CZ 4.39Å; N1612-F1616 WeakPolarHBondContact O-CD2 3.44Å; N1612-F1616 VanDerWaalsContact O-CE2 3.24Å; N1612-F1616 WeakPolarHBondContact O-CE2 3.24Å; N1612-F1616 WeakPolarHBondContact O-CG 3.28Å; N1612-F1616 PolarHBondContact O-N 2.85Å; D1613-F1616 PolarHBondContact O-N 3.34Å; F1616-M1618 PolarHBondContact O-N 2.9Å; F1616-G1619 PolarHBondContact O-N 3.04Å; F1616-W1620 AromaticContact CD1-CE3 3.99Å; F1616-W1620 HydrophobicContact CD1-CE3 3.99Å; F1616-W1620 AromaticContact CE1-CE3 3.51Å; F1616-W1620 HydrophobicContact CE1-CE3 3.51Å; F1616-W1620 AromaticContact CE1-CZ3 3.84Å; F1616-W1620 HydrophobicContact CE1-CZ3 3.84Å; F1616-I1690 HydrophobicContact CD1-CD1 3.88Å; F1616-I1690 HydrophobicContact CE1-CD1 3.68Å
1617	E	89.1	Confident	89.9	Confident	134 Å²	134	45.2 Å²	45.2	63%	0.626	26%	0.255	S	S	*	.	H	α-helix	trans	-59.9	-33.7	170.5	-69.9	176.3	-160.2	0	0	111.9	D1613 K1614 G1619	D1613-E1617 PolarHBondContact O-N 3.47Å; D1613-E1617 VanDerWaalsContact O-N 3.12Å; K1614-E1617 WeakPolarHBondContact CD-OE2 3.36Å; K1614-E1617 WeakPolarHBondContact CE-OE2 3.36Å; K1614-E1617 IonicContact NZ-OE2 2.77Å; K1614-E1617 PolarHBondContact NZ-OE2 3.34Å; K1614-E1617 WeakPolarHBondContact O-CB 3.49Å; K1614-E1617 PolarHBondContact O-N 2.86Å; E1617-G1619 PolarHBondContact O-N 3.46Å
1618	M	88.9	Confident	89.6	Confident	106 Å²	106	54 Å²	54	52%	0.522	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	5.1	173.6	-65.8	170.7	63.9	0	0	113.6	F1563 K1614 A1615 F1616	F1563-M1618 HydrophobicContact CB-CE 4.41Å; F1563-M1618 HydrophobicContact CD2-CE 4.5Å; K1614-M1618 HydrophobicContact CG-SD 4.4Å; K1614-M1618 VanDerWaalsContact O-CG 3.27Å; K1614-M1618 WeakPolarHBondContact O-CG 3.28Å; K1614-M1618 PolarHBondContact O-N 3.5Å; A1615-M1618 CarbonylContact O-C 3.56Å; A1615-M1618 WeakPolarHBondContact O-CA 3.47Å; A1615-M1618 WeakPolarHBondContact O-CB 3.37Å; A1615-M1618 PolarHBondContact O-N 3.12Å; A1615-M1618 VanDerWaalsContact O-N 3.13Å; F1616-M1618 PolarHBondContact O-N 2.9Å
1619	G	87.9	Confident	89.4	Confident	47 Å²	47	60 Å²	60	49%	0.485	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	17.4	176.2	0	0	0	0	0	115.6	A1615 F1616 E1617 R1621	A1615-G1619 PolarHBondContact O-N 3.21Å; F1616-G1619 PolarHBondContact O-N 3.04Å; E1617-G1619 PolarHBondContact O-N 3.46Å; G1619-R1621 PolarHBondContact O-N 3.01Å
1620	W	89.4	Confident	89.4	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.332	C	S	.	.			trans	-53.2	136.1	179	-178.3	94.9	0	0	0	112.5	F1563 E1567 H1570 A1615 F1616 P1622	F1563-W1620 HydrophobicContact CD2-CB 4.3Å; F1563-W1620 AromaticContact CE1-CD1 3.59Å; F1563-W1620 HydrophobicContact CE2-CB 3.72Å; F1563-W1620 AromaticContact CE2-CD1 3.81Å; F1563-W1620 HydrophobicContact CE2-CG 4.17Å; F1563-W1620 HydrophobicContact CZ-CB 4.09Å; F1563-W1620 AromaticContact CZ-CD1 3.48Å; F1563-W1620 VanDerWaalsContact CZ-CD1 3.48Å; F1563-W1620 HydrophobicContact CZ-CG 4.1Å; E1567-W1620 PolarHBondContact OE2-NE1 3.13Å; H1570-W1620 HydrophobicContact CB-CH2 3.92Å; H1570-W1620 HydrophobicContact CB-CZ2 3.75Å; H1570-W1620 AromaticContact CD2-CE2 3.89Å; H1570-W1620 AromaticContact CD2-CH2 3.11Å; H1570-W1620 WeakPolarHBondContact CD2-CH2 3.5Å; H1570-W1620 AromaticContact CD2-CZ2 3.35Å; H1570-W1620 WeakPolarHBondContact CD2-CZ2 3.4Å; H1570-W1620 AromaticContact CD2-CZ3 3.53Å; H1570-W1620 AromaticContact CG-CH2 3.41Å; H1570-W1620 VanDerWaalsContact CG-CH2 3.41Å; H1570-W1620 AromaticContact CG-CZ2 3.66Å; H1570-W1620 AromaticContact ND1-CH2 3.97Å; H1570-W1620 AromaticContact NE2-CH2 3.53Å; H1570-W1620 AromaticContact NE2-CZ3 3.49Å; H1570-W1620 WeakPolarHBondContact NE2-CZ3 3.45Å; A1615-W1620 HydrophobicContact CB-CB 3.85Å; A1615-W1620 HydrophobicContact CB-CG 4.25Å; A1615-W1620 WeakPolarHBondContact O-CB 3.22Å; A1615-W1620 PolarHBondContact O-N 2.92Å; F1616-W1620 AromaticContact CD1-CE3 3.99Å; F1616-W1620 HydrophobicContact CD1-CE3 3.99Å; F1616-W1620 AromaticContact CE1-CE3 3.51Å; F1616-W1620 HydrophobicContact CE1-CE3 3.51Å; F1616-W1620 AromaticContact CE1-CZ3 3.84Å; F1616-W1620 HydrophobicContact CE1-CZ3 3.84Å; W1620-P1622 HydrophobicContact CH2-CB 4.48Å; W1620-P1622 HydrophobicContact CH2-CG 3.64Å; W1620-P1622 HydrophobicContact CZ2-CG 4.38Å; W1620-P1622 HydrophobicContact CZ3-CG 3.94Å
1621	R	85.8	Confident	89.3	Confident	118 Å²	118	63.6 Å²	63.6	45%	0.445	36%	0.36	S	S	.	.			trans	-146.4	146.7	173.9	-68.8	-62.7	-176.9	-90.6	8	108.4	G1619 D1623	G1619-R1621 PolarHBondContact O-N 3.01Å; R1621-D1623 PolarHBondContact O-N 2.89Å
1622	P	84.5	Confident	89.3	Confident	14 Å²	14	66.8 Å²	66.8	9%	0.091	37%	0.374	C	S	.	.			trans	-58.2	135.5	172.9	-22.9	34.1	0	0	0	111.6	W1620 M1624 I1690 M1694	W1620-P1622 HydrophobicContact CH2-CB 4.48Å; W1620-P1622 HydrophobicContact CH2-CG 3.64Å; W1620-P1622 HydrophobicContact CZ2-CG 4.38Å; W1620-P1622 HydrophobicContact CZ3-CG 3.94Å; P1622-M1624 HydrophobicContact CB-SD 4.5Å; P1622-M1624 PolarHBondContact O-N 3.42Å; P1622-I1690 HydrophobicContact CG-CG2 3.98Å; P1622-M1694 HydrophobicContact CB-CG 4.42Å; P1622-M1694 HydrophobicContact CB-SD 4.24Å; P1622-M1694 HydrophobicContact CG-CG 4.24Å; P1622-M1694 HydrophobicContact CG-SD 3.76Å
1623	D	84.9	Confident	89.4	Confident	116 Å²	116	71.6 Å²	71.6	62%	0.62	40%	0.395	S	S	*	.			trans	-74.5	115.8	170.5	-174.8	7.9	0	0	0	110.3	R1621 S1625	R1621-D1623 PolarHBondContact O-N 2.89Å; D1623-S1625 WeakPolarHBondContact OD1-CB 3.47Å; D1623-S1625 PolarHBondContact OD1-N 2.73Å; D1623-S1625 PolarHBondContact OD1-OG 3.04Å; D1623-S1625 PolarHBondContact OD2-OG 2.77Å
1624	M	89.2	Confident	89.7	Confident	49 Å²	49	70.8 Å²	70.8	24%	0.241	39%	0.391	C	S	.	.			trans	-105.6	1.6	177.4	-60.7	-60.9	-65.7	0	0	112.5	P1622 G1626 V1627 T1651 R1652 M1694	P1622-M1624 HydrophobicContact CB-SD 4.5Å; P1622-M1624 PolarHBondContact O-N 3.42Å; M1624-G1626 VanDerWaalsContact C-N 3.31Å; M1624-G1626 PolarHBondContact O-N 3.28Å; M1624-V1627 HydrophobicContact CE-CB 4.38Å; M1624-V1627 HydrophobicContact CE-CG1 4.41Å; M1624-V1627 HydrophobicContact CE-CG2 3.93Å; M1624-V1627 PolarHBondContact O-N 2.95Å; M1624-V1627 HydrophobicContact SD-CG2 4.31Å; M1624-T1651 HydrophobicContact CE-CG2 3.99Å; M1624-R1652 HydrophobicContact SD-CG 4.43Å; M1624-M1694 HydrophobicContact CE-CB 4.29Å; M1624-M1694 HydrophobicContact CE-CE 4.39Å; M1624-M1694 HydrophobicContact CG-CB 4.46Å; M1624-M1694 HydrophobicContact CG-CG 4.19Å; M1624-M1694 HydrophobicContact SD-CB 4.27Å; M1624-M1694 HydrophobicContact SD-CE 3.89Å; M1624-M1694 HydrophobicContact SD-CG 4.02Å
1625	S	85.8	Confident	90	Very high	106 Å²	106	67.2 Å²	67.2	74%	0.741	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-28.4	-170.9	66.9	0	0	0	0	114.1	D1623	D1623-S1625 WeakPolarHBondContact OD1-CB 3.47Å; D1623-S1625 PolarHBondContact OD1-N 2.73Å; D1623-S1625 PolarHBondContact OD1-OG 3.04Å; D1623-S1625 PolarHBondContact OD2-OG 2.77Å
1626	G	82.9	Confident	90.3	Very high	65 Å²	65	67.2 Å²	67.2	67%	0.67	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-5.8	177.2	0	0	0	0	0	115.6	M1624 K1628	M1624-G1626 VanDerWaalsContact C-N 3.31Å; M1624-G1626 PolarHBondContact O-N 3.28Å; G1626-K1628 PolarHBondContact O-N 2.86Å
1627	V	88.1	Confident	90.5	Very high	35 Å²	35	67 Å²	67	21%	0.212	38%	0.375	C	S	.	.			trans	-79.8	111.5	-168	-179.2	0	0	0	0	111.8	M1624 R1652	M1624-V1627 HydrophobicContact CE-CB 4.38Å; M1624-V1627 HydrophobicContact CE-CG1 4.41Å; M1624-V1627 HydrophobicContact CE-CG2 3.93Å; M1624-V1627 PolarHBondContact O-N 2.95Å; M1624-V1627 HydrophobicContact SD-CG2 4.31Å; V1627-R1652 WeakPolarHBondContact CG1-O 3.43Å; V1627-R1652 WeakPolarHBondContact CG2-O 3.33Å
1628	K	88.6	Confident	90.8	Very high	184 Å²	184	61 Å²	61	80%	0.8	35%	0.349	S	S	*	.			trans	-80.9	124	174.8	-69.4	-178.8	-178.5	173.5	0	110.8	G1626 T1630 G1654	G1626-K1628 PolarHBondContact O-N 2.86Å; K1628-T1630 PolarHBondContact O-N 3.49Å; K1628-G1654 WeakPolarHBondContact O-CA 3.5Å
1629	Q	90.9	Very high	91.1	Very high	137 Å²	137	56 Å²	56	64%	0.64	32%	0.324	S	S	*	.			trans	-70.8	128.8	176.9	-62.4	-62.8	-57	0	0	111.4
1630	T	92.9	Very high	91.3	Very high	53 Å²	53	54.3 Å²	54.3	33%	0.325	31%	0.307	S	S	.	.			trans	-84.9	-19.3	-178.4	61.7	0	0	0	0	113.1	K1628 K1632 N1653 G1654 V1655 V1957	K1628-T1630 PolarHBondContact O-N 3.49Å; T1630-K1632 PolarHBondContact O-N 3.25Å; T1630-K1632 WeakPolarHBondContact OG1-CB 3.46Å; T1630-K1632 PolarHBondContact OG1-N 2.82Å; T1630-K1632 VanDerWaalsContact OG1-N 3.13Å; T1630-N1653 WeakPolarHBondContact CG2-O 3.43Å; T1630-G1654 WeakPolarHBondContact CG2-O 3.3Å; T1630-G1654 PolarHBondContact N-O 2.78Å; T1630-G1654 PolarHBondContact OG1-O 3.11Å; T1630-V1655 HydrophobicContact CG2-CG2 4.16Å; T1630-V1957 HydrophobicContact CG2-CB 4.49Å; T1630-V1957 HydrophobicContact CG2-CG1 3.59Å; T1630-V1957 HydrophobicContact CG2-CG2 4.13Å
1631	G	91.7	Very high	91.6	Very high	65 Å²	65	55.1 Å²	55.1	67%	0.67	31%	0.312	S	S	*	.	S	Bend	trans	80.9	-12	-169.3	0	0	0	0	0	114.5
1632	K	95.8	Very high	92.1	Very high	68 Å²	68	49.8 Å²	49.8	30%	0.296	29%	0.293	S	S	.	.			trans	-73.5	148.3	178.9	-62.5	-69.1	-177.7	168.6	0	112.1	T1630 V1655 K1656 D1718 L1955 V1957	T1630-K1632 PolarHBondContact O-N 3.25Å; T1630-K1632 WeakPolarHBondContact OG1-CB 3.46Å; T1630-K1632 PolarHBondContact OG1-N 2.82Å; T1630-K1632 VanDerWaalsContact OG1-N 3.13Å; K1632-V1655 HydrophobicContact CB-CG1 4.05Å; K1632-V1655 HydrophobicContact CB-CG2 4.34Å; K1632-K1656 PolarHBondContact O-N 2.84Å; K1632-D1718 WeakPolarHBondContact CA-OD2 3.44Å; K1632-D1718 HydrophobicContact CD-CB 4.22Å; K1632-D1718 VanDerWaalsContact CD-CG 3.4Å; K1632-D1718 WeakPolarHBondContact CD-OD1 3.37Å; K1632-D1718 IonicContact NZ-OD1 3.66Å; K1632-D1718 PolarHBondContact NZ-OD1 2.68Å; K1632-L1955 HydrophobicContact CB-CD1 4.29Å; K1632-L1955 HydrophobicContact CD-CD2 4.42Å; K1632-V1957 HydrophobicContact CG-CG2 4.11Å
1633	K	96.4	Very high	92.6	Very high	101 Å²	101	49.1 Å²	49.1	44%	0.439	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	135.4	178	-55	-175.4	-175.8	165.1	0	111.4	K1656 Y1717 D1718	K1633-K1656 WeakPolarHBondContact CA-O 3.39Å; K1633-K1656 HydrophobicContact CG-CB 4.24Å; K1633-Y1717 HydrophobicContact CB-CD1 3.86Å; K1633-Y1717 HydrophobicContact CB-CE1 4.39Å; K1633-D1718 PolarHBondContact N-OD2 2.89Å; K1633-D1718 PolarHBondContact O-N 3.24Å
1634	V	97.9	Very high	93.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	129.3	179.7	176.8	0	0	0	0	109.9	I1636 L1650 V1655 K1656 V1658 A1719 I1951 L1955	V1634-I1636 HydrophobicContact CG1-CG1 4.22Å; V1634-L1650 HydrophobicContact CB-CD1 3.9Å; V1634-L1650 HydrophobicContact CG1-CD1 3.78Å; V1634-L1650 HydrophobicContact CG2-CD1 4.11Å; V1634-V1655 HydrophobicContact CB-CG1 4.37Å; V1634-V1655 HydrophobicContact CG2-CG1 3.62Å; V1634-K1656 PolarHBondContact N-O 3.36Å; V1634-V1658 PolarHBondContact O-N 3.07Å; V1634-A1719 WeakPolarHBondContact CA-O 3.23Å; V1634-A1719 HydrophobicContact CG2-CB 4.32Å; V1634-I1951 HydrophobicContact CG1-CD1 4.46Å; V1634-I1951 HydrophobicContact CG2-CG2 3.88Å; V1634-L1955 HydrophobicContact CG2-CD1 3.84Å
1635	A	97.8	Very high	93.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	133.4	171.1	0	0	0	0	0	109.7	V1658 F1660 L1713 Y1717 A1719 V1720 F1721	A1635-V1658 CarbonylContact C-O 3.52Å; A1635-V1658 WeakPolarHBondContact CA-O 3.4Å; A1635-F1660 HydrophobicContact CB-CD2 4.45Å; A1635-F1660 HydrophobicContact CB-CE2 4.03Å; A1635-L1713 HydrophobicContact CB-CB 4.42Å; A1635-L1713 HydrophobicContact CB-CD2 4.3Å; A1635-Y1717 HydrophobicContact CB-CD1 3.85Å; A1635-Y1717 HydrophobicContact CB-CD2 3.77Å; A1635-Y1717 HydrophobicContact CB-CE1 4.17Å; A1635-Y1717 HydrophobicContact CB-CE2 4.12Å; A1635-Y1717 HydrophobicContact CB-CG 3.64Å; A1635-A1719 PolarHBondContact N-O 2.98Å; A1635-A1719 VanDerWaalsContact N-O 3.13Å; A1635-V1720 HydrophobicContact CB-CG1 4.5Å; A1635-V1720 HydrophobicContact CB-CG2 4.35Å; A1635-V1720 CarbonylContact O-C 3.6Å; A1635-V1720 VanDerWaalsContact O-CA 3.29Å; A1635-V1720 WeakPolarHBondContact O-CA 3.34Å; A1635-F1721 PolarHBondContact O-N 3.5Å
1636	I	97.8	Very high	94.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	118.2	-177.9	-63.9	179.6	0	0	0	107.1	V1634 C1646 A1647 L1650 A1657 V1658 V1659 F1660 F1721	V1634-I1636 HydrophobicContact CG1-CG1 4.22Å; I1636-C1646 HydrophobicContact CD1-CB 4.22Å; I1636-A1647 VanDerWaalsContact CD1-CA 3.48Å; I1636-A1647 HydrophobicContact CD1-CB 3.59Å; I1636-L1650 HydrophobicContact CD1-CD1 4.3Å; I1636-A1657 HydrophobicContact CD1-CB 3.86Å; I1636-V1658 PolarHBondContact N-O 2.97Å; I1636-V1659 HydrophobicContact CB-CB 4.45Å; I1636-V1659 HydrophobicContact CB-CG1 4.48Å; I1636-V1659 HydrophobicContact CB-CG2 4.08Å; I1636-V1659 HydrophobicContact CD1-CG2 4.32Å; I1636-V1659 HydrophobicContact CG2-CG1 4.13Å; I1636-V1659 HydrophobicContact CG2-CG2 4.18Å; I1636-V1659 CarbonylContact O-C 3.59Å; I1636-V1659 VanDerWaalsContact O-CA 3.3Å; I1636-V1659 WeakPolarHBondContact O-CA 3.4Å; I1636-F1660 PolarHBondContact O-N 3.39Å; I1636-F1721 HydrophobicContact CG1-CB 4.28Å; I1636-F1721 HydrophobicContact CG2-CD1 4.07Å
1637	I	95.1	Very high	94.8	Very high	10 Å²	10	33.1 Å²	33.1	5%	0.051	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	109.7	-175.7	-44.6	-175.7	0	0	0	108.8	V1704 L1710 L1713 V1720 F1721 L1722 G1723 V1724	I1637-V1704 HydrophobicContact CD1-CB 4.27Å; I1637-V1704 HydrophobicContact CD1-CG1 4Å; I1637-V1704 HydrophobicContact CD1-CG2 4.09Å; I1637-V1704 HydrophobicContact CG1-CG2 4.36Å; I1637-V1704 HydrophobicContact CG2-CB 3.95Å; I1637-V1704 HydrophobicContact CG2-CG2 3.71Å; I1637-L1710 HydrophobicContact CD1-CD1 3.65Å; I1637-L1713 HydrophobicContact CD1-CD1 3.76Å; I1637-L1713 HydrophobicContact CG1-CD1 4.27Å; I1637-V1720 HydrophobicContact CD1-CG1 3.8Å; I1637-V1720 HydrophobicContact CG1-CG1 4.04Å; I1637-F1721 PolarHBondContact N-O 3.36Å; I1637-L1722 HydrophobicContact CB-CD2 4.14Å; I1637-L1722 HydrophobicContact CD1-CD2 3.56Å; I1637-L1722 HydrophobicContact CG1-CD2 4.07Å; I1637-G1723 CarbonylContact O-C 3.6Å; I1637-G1723 VanDerWaalsContact O-C 3.3Å; I1637-G1723 WeakPolarHBondContact O-CA 3.27Å; I1637-G1723 PolarHBondContact O-N 3.33Å; I1637-V1724 HydrophobicContact CB-CG1 4.19Å; I1637-V1724 HydrophobicContact CG2-CG1 3.77Å; I1637-V1724 PolarHBondContact O-N 2.8Å
1638	G	93.9	Very high	95.1	Very high	8 Å²	8	31.4 Å²	31.4	8%	0.082	17%	0.17	C	C	.	.			trans	105.2	119.7	-171.3	0	0	0	0	0	112	G1640 G1643 F1660	G1638-G1640 VanDerWaalsContact C-N 3.26Å; G1638-G1640 PolarHBondContact O-N 3.1Å; G1638-G1643 WeakPolarHBondContact O-CA 3.49Å; G1638-F1660 PolarHBondContact N-O 3.11Å
1639	A	95.2	Very high	95.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.135	C	C	.	.			trans	-92	25.7	171.2	0	0	0	0	0	112.1	L1644 V1659 D1661 I1666 G1667	A1639-L1644 HydrophobicContact CB-CD2 4.37Å; A1639-L1644 WeakPolarHBondContact O-CD1 3.36Å; A1639-L1644 WeakPolarHBondContact O-CG 3.33Å; A1639-V1659 HydrophobicContact CB-CG1 3.76Å; A1639-D1661 HydrophobicContact CB-CB 3.73Å; A1639-D1661 PolarHBondContact N-OD2 3.34Å; A1639-I1666 HydrophobicContact CB-CB 4.14Å; A1639-I1666 HydrophobicContact CB-CG2 4.23Å; A1639-G1667 CarbonylContact O-C 3.55Å; A1639-G1667 WeakPolarHBondContact O-CA 3.48Å; A1639-G1667 PolarHBondContact O-N 3.31Å
1640	G	93.8	Very high	95.7	Very high	11 Å²	11	16.6 Å²	16.6	11%	0.113	11%	0.105	C	C	.	.	S	Bend	trans	-71.5	179.7	167.9	0	0	0	0	0	112.6	G1638 A1642 G1643 L1644	G1638-G1640 VanDerWaalsContact C-N 3.26Å; G1638-G1640 PolarHBondContact O-N 3.1Å; G1640-A1642 VanDerWaalsContact C-N 3.31Å; G1640-A1642 PolarHBondContact O-N 3.48Å; G1640-G1643 PolarHBondContact O-N 2.8Å; G1640-G1643 VanDerWaalsContact O-N 3.16Å; G1640-L1644 WeakPolarHBondContact O-CG 3.37Å; G1640-L1644 PolarHBondContact O-N 3.14Å
1641	P	94.8	Very high	95.8	Very high	18 Å²	18	14.5 Å²	14.5	12%	0.117	9%	0.091	C	C	.	.	H	α-helix	trans	-54.3	-42.3	-173.6	-22.5	29.2	0	0	0	114.1	A1645 L1670 V1937 A1940 I1941	P1641-A1645 VanDerWaalsContact O-CB 3.24Å; P1641-A1645 WeakPolarHBondContact O-CB 3.16Å; P1641-A1645 PolarHBondContact O-N 3.1Å; P1641-L1670 HydrophobicContact CG-CD1 3.97Å; P1641-L1670 HydrophobicContact CG-CD2 4.31Å; P1641-L1670 HydrophobicContact CG-CG 4Å; P1641-V1937 HydrophobicContact CB-CG1 4.12Å; P1641-V1937 HydrophobicContact CG-CG1 4.02Å; P1641-A1940 HydrophobicContact CB-CB 4.04Å; P1641-I1941 HydrophobicContact CB-CG1 3.91Å
1642	A	95.3	Very high	95.9	Very high	5 Å²	5	14.3 Å²	14.3	4%	0.041	7%	0.07	C	C	.	.	H	α-helix	trans	-66.3	-45.4	178.6	0	0	0	0	0	113	G1640 A1645 C1646 F1721 A1940 G1944	G1640-A1642 VanDerWaalsContact C-N 3.31Å; G1640-A1642 PolarHBondContact O-N 3.48Å; A1642-A1645 PolarHBondContact O-N 2.86Å; A1642-C1646 WeakPolarHBondContact O-CB 3.41Å; A1642-C1646 PolarHBondContact O-N 3.07Å; A1642-F1721 HydrophobicContact CB-CE1 4.31Å; A1642-F1721 HydrophobicContact CB-CZ 4.21Å; A1642-A1940 WeakPolarHBondContact CA-O 3.41Å; A1642-A1940 HydrophobicContact CB-CB 4.23Å; A1642-A1940 VanDerWaalsContact CB-O 3.24Å; A1642-A1940 WeakPolarHBondContact CB-O 3.47Å; A1642-G1944 WeakPolarHBondContact O-CA 3.47Å
1643	G	96.4	Very high	95.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-67.6	-38.4	179	0	0	0	0	0	112.8	G1638 G1640 C1646 A1647	G1638-G1643 WeakPolarHBondContact O-CA 3.49Å; G1640-G1643 PolarHBondContact O-N 2.8Å; G1640-G1643 VanDerWaalsContact O-N 3.16Å; G1643-C1646 PolarHBondContact O-N 2.65Å; G1643-A1647 WeakPolarHBondContact O-CB 3.4Å; G1643-A1647 PolarHBondContact O-N 3.33Å
1644	L	97.3	Very high	95.7	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-64.1	-41.4	172.9	-67.9	178.5	0	0	0	112.1	L1575 A1639 G1640 A1647 D1648 I1666 M1684 F1691 F1698	L1575-L1644 HydrophobicContact CD1-CD1 4.37Å; A1639-L1644 HydrophobicContact CB-CD2 4.37Å; A1639-L1644 WeakPolarHBondContact O-CD1 3.36Å; A1639-L1644 WeakPolarHBondContact O-CG 3.33Å; G1640-L1644 WeakPolarHBondContact O-CG 3.37Å; G1640-L1644 PolarHBondContact O-N 3.14Å; L1644-A1647 PolarHBondContact O-N 3.38Å; L1644-D1648 WeakPolarHBondContact O-CB 3.35Å; L1644-D1648 PolarHBondContact O-N 2.83Å; L1644-I1666 HydrophobicContact CD1-CD1 4.3Å; L1644-I1666 HydrophobicContact CD2-CB 4.47Å; L1644-I1666 HydrophobicContact CD2-CD1 4.21Å; L1644-M1684 HydrophobicContact CD1-CE 4.03Å; L1644-F1691 HydrophobicContact CB-CE2 4.06Å; L1644-F1691 HydrophobicContact CD1-CE2 4.49Å; L1644-F1691 HydrophobicContact CD2-CD2 4.1Å; L1644-F1691 HydrophobicContact CD2-CE2 4.06Å; L1644-F1691 HydrophobicContact CG-CE2 4.42Å; L1644-F1698 HydrophobicContact CD2-CE1 3.71Å; L1644-F1698 HydrophobicContact CD2-CZ 4Å
1645	A	96.4	Very high	95.6	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-65.8	-40.9	176.1	0	0	0	0	0	112.7	P1641 A1642 V1649 I1941 R1945	P1641-A1645 VanDerWaalsContact O-CB 3.24Å; P1641-A1645 WeakPolarHBondContact O-CB 3.16Å; P1641-A1645 PolarHBondContact O-N 3.1Å; A1642-A1645 PolarHBondContact O-N 2.86Å; A1645-V1649 PolarHBondContact O-N 2.88Å; A1645-I1941 HydrophobicContact CB-CB 4.29Å; A1645-I1941 HydrophobicContact CB-CG2 3.93Å; A1645-I1941 WeakPolarHBondContact CB-O 3.47Å; A1645-R1945 HydrophobicContact CB-CG 4.02Å
1646	C	97.1	Very high	95.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.4	-42.4	172.9	-174.3	0	0	0	0	111.5	I1636 A1642 G1643 L1650 F1721 G1944	I1636-C1646 HydrophobicContact CD1-CB 4.22Å; A1642-C1646 WeakPolarHBondContact O-CB 3.41Å; A1642-C1646 PolarHBondContact O-N 3.07Å; G1643-C1646 PolarHBondContact O-N 2.65Å; C1646-L1650 WeakPolarHBondContact O-CB 3.48Å; C1646-L1650 VanDerWaalsContact O-CG 3.24Å; C1646-L1650 WeakPolarHBondContact O-CG 3.5Å; C1646-L1650 PolarHBondContact O-N 3.01Å; C1646-L1650 VanDerWaalsContact O-N 3.08Å; C1646-F1721 HydrophobicContact CB-CD1 4.14Å; C1646-F1721 HydrophobicContact CB-CE1 4.24Å; C1646-F1721 HydrophobicContact CB-CG 4.35Å; C1646-G1944 WeakPolarHBondContact CA-O 3.4Å; C1646-G1944 WeakPolarHBondContact CB-O 3.48Å
1647	A	97.2	Very high	95.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65	-43.2	179.6	0	0	0	0	0	112.8	I1636 G1643 L1644 T1651 A1657 V1659 I1696	I1636-A1647 VanDerWaalsContact CD1-CA 3.48Å; I1636-A1647 HydrophobicContact CD1-CB 3.59Å; G1643-A1647 WeakPolarHBondContact O-CB 3.4Å; G1643-A1647 PolarHBondContact O-N 3.33Å; L1644-A1647 PolarHBondContact O-N 3.38Å; A1647-T1651 VanDerWaalsContact O-CB 3.25Å; A1647-T1651 WeakPolarHBondContact O-CB 3.33Å; A1647-T1651 PolarHBondContact O-N 3.41Å; A1647-T1651 PolarHBondContact O-OG1 2.89Å; A1647-A1657 HydrophobicContact CB-CB 3.89Å; A1647-V1659 HydrophobicContact CB-CG2 3.82Å; A1647-I1696 HydrophobicContact CB-CD1 3.92Å; A1647-I1696 HydrophobicContact CB-CG1 4.3Å; A1647-I1696 HydrophobicContact CB-CG2 4.07Å
1648	D	95.9	Very high	95.6	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-59.2	-52.4	177.2	174.4	52.1	0	0	0	111.5	T1574 L1644 T1651 R1652 F1691 M1694 R1945	T1574-D1648 WeakPolarHBondContact CB-OD2 3.49Å; T1574-D1648 HydrophobicContact CG2-CB 3.53Å; T1574-D1648 WeakPolarHBondContact CG2-OD2 3.11Å; T1574-D1648 PolarHBondContact OG1-OD2 3.39Å; L1644-D1648 WeakPolarHBondContact O-CB 3.35Å; L1644-D1648 PolarHBondContact O-N 2.83Å; D1648-T1651 PolarHBondContact O-N 3.42Å; D1648-R1652 VanDerWaalsContact O-CG 3.3Å; D1648-R1652 WeakPolarHBondContact O-CG 3.48Å; D1648-R1652 PolarHBondContact O-N 2.85Å; D1648-R1652 IonicContact OD1-CZ 3.21Å; D1648-R1652 IonicContact OD1-NE 2.84Å; D1648-R1652 PolarHBondContact OD1-NE 2.79Å; D1648-R1652 IonicContact OD1-NH2 2.74Å; D1648-R1652 PolarHBondContact OD1-NH2 2.97Å; D1648-R1652 IonicContact OD2-NE 2.65Å; D1648-F1691 HydrophobicContact CB-CE1 4.07Å; D1648-F1691 HydrophobicContact CB-CZ 4.27Å; D1648-M1694 WeakPolarHBondContact OD1-CE 3.28Å; D1648-R1945 IonicContact OD2-NH1 3.89Å
1649	V	94.9	Very high	95.8	Very high	10 Å²	10	12.6 Å²	12.6	6%	0.061	6%	0.064	C	C	.	.	H	α-helix	trans	-65.4	-46	-179.2	175	0	0	0	0	112	A1645 T1651 R1652 N1653 R1945 A1948 M1952	A1645-V1649 PolarHBondContact O-N 2.88Å; V1649-T1651 VanDerWaalsContact C-N 3.34Å; V1649-T1651 PolarHBondContact O-N 2.98Å; V1649-R1652 PolarHBondContact O-N 2.95Å; V1649-N1653 PolarHBondContact O-N 3.42Å; V1649-N1653 PolarHBondContact O-ND2 3.21Å; V1649-R1945 HydrophobicContact CG2-CB 4.1Å; V1649-R1945 HydrophobicContact CG2-CG 3.78Å; V1649-A1948 HydrophobicContact CB-CB 3.71Å; V1649-A1948 HydrophobicContact CG1-CB 3.65Å; V1649-M1952 HydrophobicContact CG1-CE 3.76Å
1650	L	96.4	Very high	95.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-60.6	-43.5	178	-72.6	175.4	0	0	0	111.9	V1634 I1636 C1646 N1653 G1654 V1655 A1948 I1951 M1952	V1634-L1650 HydrophobicContact CB-CD1 3.9Å; V1634-L1650 HydrophobicContact CG1-CD1 3.78Å; V1634-L1650 HydrophobicContact CG2-CD1 4.11Å; I1636-L1650 HydrophobicContact CD1-CD1 4.3Å; C1646-L1650 WeakPolarHBondContact O-CB 3.48Å; C1646-L1650 VanDerWaalsContact O-CG 3.24Å; C1646-L1650 WeakPolarHBondContact O-CG 3.5Å; C1646-L1650 PolarHBondContact O-N 3.01Å; C1646-L1650 VanDerWaalsContact O-N 3.08Å; L1650-N1653 CarbonylContact O-C 3.57Å; L1650-N1653 PolarHBondContact O-N 2.76Å; L1650-G1654 PolarHBondContact O-N 2.92Å; L1650-V1655 CarbonylContact C-O 3.52Å; L1650-V1655 HydrophobicContact CB-CB 4.12Å; L1650-V1655 HydrophobicContact CB-CG1 4.4Å; L1650-V1655 HydrophobicContact CD2-CB 4.26Å; L1650-V1655 HydrophobicContact CD2-CG1 4.27Å; L1650-V1655 HydrophobicContact CD2-CG2 4.47Å; L1650-V1655 PolarHBondContact O-N 2.89Å; L1650-A1948 HydrophobicContact CD2-CB 4.11Å; L1650-A1948 HydrophobicContact CG-CB 3.87Å; L1650-I1951 HydrophobicContact CD1-CD1 4.44Å; L1650-I1951 HydrophobicContact CD1-CG2 4.45Å; L1650-I1951 HydrophobicContact CD2-CB 4.3Å; L1650-I1951 HydrophobicContact CD2-CG2 3.91Å; L1650-M1952 HydrophobicContact CD2-CG 3.66Å; L1650-M1952 HydrophobicContact CD2-SD 4.26Å
1651	T	95.7	Very high	95.9	Very high	8 Å²	8	13 Å²	13	5%	0.049	6%	0.063	C	C	.	.	H	α-helix	trans	-68.9	-37.4	-177.6	-54.8	0	0	0	0	112	M1624 A1647 D1648 V1649 N1653 G1654 V1655 M1694 I1696	M1624-T1651 HydrophobicContact CE-CG2 3.99Å; A1647-T1651 VanDerWaalsContact O-CB 3.25Å; A1647-T1651 WeakPolarHBondContact O-CB 3.33Å; A1647-T1651 PolarHBondContact O-N 3.41Å; A1647-T1651 PolarHBondContact O-OG1 2.89Å; D1648-T1651 PolarHBondContact O-N 3.42Å; V1649-T1651 VanDerWaalsContact C-N 3.34Å; V1649-T1651 PolarHBondContact O-N 2.98Å; T1651-N1653 PolarHBondContact O-N 2.84Å; T1651-G1654 PolarHBondContact O-N 2.99Å; T1651-V1655 WeakPolarHBondContact CA-O 3.1Å; T1651-M1694 HydrophobicContact CG2-CB 4.28Å; T1651-M1694 WeakPolarHBondContact CG2-O 3.25Å; T1651-I1696 HydrophobicContact CG2-CG1 4.11Å; T1651-I1696 VanDerWaalsContact OG1-CG1 3.22Å; T1651-I1696 WeakPolarHBondContact OG1-CG1 3.44Å
1652	R	92.7	Very high	95.6	Very high	61 Å²	61	17.4 Å²	17.4	23%	0.23	8%	0.078	C	C	.	.	H	α-helix	trans	-64.3	-26.9	173.7	-73.3	173.5	-174	-104.7	9.3	113.3	M1624 V1627 D1648 V1649 M1694	M1624-R1652 HydrophobicContact SD-CG 4.43Å; V1627-R1652 WeakPolarHBondContact CG1-O 3.43Å; V1627-R1652 WeakPolarHBondContact CG2-O 3.33Å; D1648-R1652 VanDerWaalsContact O-CG 3.3Å; D1648-R1652 WeakPolarHBondContact O-CG 3.48Å; D1648-R1652 PolarHBondContact O-N 2.85Å; D1648-R1652 IonicContact OD1-CZ 3.21Å; D1648-R1652 IonicContact OD1-NE 2.84Å; D1648-R1652 PolarHBondContact OD1-NE 2.79Å; D1648-R1652 IonicContact OD1-NH2 2.74Å; D1648-R1652 PolarHBondContact OD1-NH2 2.97Å; D1648-R1652 IonicContact OD2-NE 2.65Å; V1649-R1652 PolarHBondContact O-N 2.95Å; R1652-M1694 HydrophobicContact CG-CE 3.8Å
1653	N	93.5	Very high	95.4	Very high	78 Å²	78	17.9 Å²	17.9	42%	0.417	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	15.5	173.7	-66.6	-72.7	0	0	0	112.8	T1630 V1649 L1650 T1651 V1655 M1952	T1630-N1653 WeakPolarHBondContact CG2-O 3.43Å; V1649-N1653 PolarHBondContact O-N 3.42Å; V1649-N1653 PolarHBondContact O-ND2 3.21Å; L1650-N1653 CarbonylContact O-C 3.57Å; L1650-N1653 PolarHBondContact O-N 2.76Å; T1651-N1653 PolarHBondContact O-N 2.84Å; N1653-V1655 VanDerWaalsContact C-N 3.34Å; N1653-V1655 PolarHBondContact O-N 3.09Å; N1653-M1952 HydrophobicContact CB-SD 3.38Å; N1653-M1952 WeakPolarHBondContact CB-SD 3.38Å; N1653-M1952 VanDerWaalsContact CG-SD 3.57Å
1654	G	93.8	Very high	95	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	16.6	171.2	0	0	0	0	0	115.6	K1628 T1630 L1650 T1651	K1628-G1654 WeakPolarHBondContact O-CA 3.5Å; T1630-G1654 WeakPolarHBondContact CG2-O 3.3Å; T1630-G1654 PolarHBondContact N-O 2.78Å; T1630-G1654 PolarHBondContact OG1-O 3.11Å; L1650-G1654 PolarHBondContact O-N 2.92Å; T1651-G1654 PolarHBondContact O-N 2.99Å
1655	V	96.6	Very high	94.8	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	10%	0.098	C	C	.	.			trans	-93	126.8	169.1	179.3	0	0	0	0	108.4	T1630 K1632 V1634 L1650 T1651 N1653 A1657 L1955 V1957	T1630-V1655 HydrophobicContact CG2-CG2 4.16Å; K1632-V1655 HydrophobicContact CB-CG1 4.05Å; K1632-V1655 HydrophobicContact CB-CG2 4.34Å; V1634-V1655 HydrophobicContact CB-CG1 4.37Å; V1634-V1655 HydrophobicContact CG2-CG1 3.62Å; L1650-V1655 CarbonylContact C-O 3.52Å; L1650-V1655 HydrophobicContact CB-CB 4.12Å; L1650-V1655 HydrophobicContact CB-CG1 4.4Å; L1650-V1655 HydrophobicContact CD2-CB 4.26Å; L1650-V1655 HydrophobicContact CD2-CG1 4.27Å; L1650-V1655 HydrophobicContact CD2-CG2 4.47Å; L1650-V1655 PolarHBondContact O-N 2.89Å; T1651-V1655 WeakPolarHBondContact CA-O 3.1Å; N1653-V1655 VanDerWaalsContact C-N 3.34Å; N1653-V1655 PolarHBondContact O-N 3.09Å; V1655-A1657 PolarHBondContact O-N 3.11Å; V1655-L1955 HydrophobicContact CG1-CD1 4.34Å; V1655-V1957 HydrophobicContact CG2-CG1 3.97Å; V1655-V1957 HydrophobicContact CG2-CG2 4.1Å
1656	K	96.4	Very high	94.7	Very high	70 Å²	70	21.3 Å²	21.3	30%	0.304	10%	0.098	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	112.7	-178.5	-174	-174	176	-172.4	0	110.8	K1632 K1633 V1634 E1697	K1632-K1656 PolarHBondContact O-N 2.84Å; K1633-K1656 WeakPolarHBondContact CA-O 3.39Å; K1633-K1656 HydrophobicContact CG-CB 4.24Å; V1634-K1656 PolarHBondContact N-O 3.36Å; K1656-E1697 WeakPolarHBondContact CE-OE2 3.41Å; K1656-E1697 IonicContact NZ-OE2 3.82Å; K1656-E1697 PolarHBondContact NZ-OE2 2.96Å
1657	A	97.3	Very high	94.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	132.6	171	0	0	0	0	0	112.2	I1636 A1647 V1655 E1697	I1636-A1657 HydrophobicContact CD1-CB 3.86Å; A1647-A1657 HydrophobicContact CB-CB 3.89Å; V1655-A1657 PolarHBondContact O-N 3.11Å; A1657-E1697 PolarHBondContact O-N 3.24Å
1658	V	97.7	Very high	94.1	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.012	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	115.2	168.1	-174.8	0	0	0	0	108.9	V1634 A1635 I1636 F1660 E1697 K1699 Y1717	V1634-V1658 PolarHBondContact O-N 3.07Å; A1635-V1658 CarbonylContact C-O 3.52Å; A1635-V1658 WeakPolarHBondContact CA-O 3.4Å; I1636-V1658 PolarHBondContact N-O 2.97Å; V1658-F1660 HydrophobicContact CB-CE2 4.24Å; V1658-F1660 HydrophobicContact CG1-CD2 4.42Å; V1658-F1660 HydrophobicContact CG1-CE2 3.72Å; V1658-F1660 HydrophobicContact CG1-CZ 3.99Å; V1658-E1697 CarbonylContact C-O 3.51Å; V1658-E1697 WeakPolarHBondContact CA-O 3.47Å; V1658-E1697 HydrophobicContact CG1-CB 4.26Å; V1658-E1697 HydrophobicContact CG1-CG 4.33Å; V1658-E1697 HydrophobicContact CG2-CB 4.19Å; V1658-K1699 HydrophobicContact CG1-CG 4.11Å; V1658-Y1717 HydrophobicContact CB-CE1 3.79Å; V1658-Y1717 HydrophobicContact CG2-CE1 3.7Å
1659	V	97.6	Very high	93.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	122.7	-172.8	-173	0	0	0	0	110.4	I1636 A1639 A1647 I1696 E1697 F1698 K1699	I1636-V1659 HydrophobicContact CB-CB 4.45Å; I1636-V1659 HydrophobicContact CB-CG1 4.48Å; I1636-V1659 HydrophobicContact CB-CG2 4.08Å; I1636-V1659 HydrophobicContact CD1-CG2 4.32Å; I1636-V1659 HydrophobicContact CG2-CG1 4.13Å; I1636-V1659 HydrophobicContact CG2-CG2 4.18Å; I1636-V1659 CarbonylContact O-C 3.59Å; I1636-V1659 VanDerWaalsContact O-CA 3.3Å; I1636-V1659 WeakPolarHBondContact O-CA 3.4Å; A1639-V1659 HydrophobicContact CB-CG1 3.76Å; A1647-V1659 HydrophobicContact CB-CG2 3.82Å; V1659-I1696 HydrophobicContact CG2-CG2 3.76Å; V1659-E1697 PolarHBondContact N-O 2.83Å; V1659-F1698 HydrophobicContact CB-CD1 3.7Å; V1659-F1698 HydrophobicContact CB-CE1 3.86Å; V1659-F1698 HydrophobicContact CG1-CD1 4.08Å; V1659-F1698 HydrophobicContact CG1-CE1 4.11Å; V1659-F1698 HydrophobicContact CG2-CD1 4.22Å; V1659-F1698 HydrophobicContact CG2-CE1 3.91Å; V1659-F1698 CarbonylContact O-C 3.52Å; V1659-F1698 WeakPolarHBondContact O-CA 3.27Å; V1659-K1699 PolarHBondContact O-N 3.11Å
1660	F	96.9	Very high	93.6	Very high	12 Å²	12	23 Å²	23	5%	0.053	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.8	176.8	-63.2	-100.1	0	0	0	109.8	A1635 I1636 G1638 V1658 K1699 T1702 V1704 L1713 Y1717	A1635-F1660 HydrophobicContact CB-CD2 4.45Å; A1635-F1660 HydrophobicContact CB-CE2 4.03Å; I1636-F1660 PolarHBondContact O-N 3.39Å; G1638-F1660 PolarHBondContact N-O 3.11Å; V1658-F1660 HydrophobicContact CB-CE2 4.24Å; V1658-F1660 HydrophobicContact CG1-CD2 4.42Å; V1658-F1660 HydrophobicContact CG1-CE2 3.72Å; V1658-F1660 HydrophobicContact CG1-CZ 3.99Å; F1660-K1699 WeakPolarHBondContact CA-O 3.48Å; F1660-K1699 HydrophobicContact CD1-CB 3.6Å; F1660-K1699 HydrophobicContact CD1-CG 3.91Å; F1660-K1699 HydrophobicContact CE1-CB 3.94Å; F1660-K1699 HydrophobicContact CE1-CG 3.7Å; F1660-K1699 HydrophobicContact CG-CB 4.16Å; F1660-K1699 HydrophobicContact CZ-CG 4.16Å; F1660-T1702 HydrophobicContact CD1-CG2 3.98Å; F1660-V1704 HydrophobicContact CB-CG2 4.18Å; F1660-L1713 HydrophobicContact CD2-CD2 4.48Å; F1660-L1713 HydrophobicContact CE1-CD2 4.12Å; F1660-L1713 HydrophobicContact CE2-CD2 3.75Å; F1660-L1713 HydrophobicContact CZ-CD2 3.54Å; F1660-Y1717 HydrophobicContact CZ-CE2 4.47Å
1661	D	94.2	Very high	93.4	Very high	8 Å²	8	23.1 Å²	23.1	4%	0.043	11%	0.107	C	C	.	.			trans	-141.8	144.1	175.2	-160.5	-74.5	0	0	0	112.6	A1639 H1663 K1699 L1700 N1701 T1702	A1639-D1661 HydrophobicContact CB-CB 3.73Å; A1639-D1661 PolarHBondContact N-OD2 3.34Å; D1661-H1663 VanDerWaalsContact C-N 3.27Å; D1661-H1663 PolarHBondContact O-N 2.76Å; D1661-H1663 WeakPolarHBondContact OD1-CB 3.28Å; D1661-H1663 IonicContact OD1-CD2 3.38Å; D1661-H1663 PolarHBondContact OD1-CD2 3Å; D1661-H1663 VanDerWaalsContact OD1-CD2 3.23Å; D1661-H1663 IonicContact OD1-CG 2.71Å; D1661-H1663 PolarHBondContact OD1-N 3.23Å; D1661-K1699 PolarHBondContact N-O 3.38Å; D1661-L1700 HydrophobicContact CB-CD2 4.17Å; D1661-L1700 CarbonylContact O-C 3.58Å; D1661-N1701 PolarHBondContact O-N 2.81Å; D1661-T1702 CarbonylContact C-O 3.54Å; D1661-T1702 VanDerWaalsContact C-O 3.32Å; D1661-T1702 PolarHBondContact O-N 2.89Å
1662	R	89.6	Confident	93.2	Very high	110 Å²	110	22.7 Å²	22.7	42%	0.415	11%	0.105	S	C	.	.	S	Bend	trans	-66.5	-24.4	178.3	63.5	174.3	61.5	-115.9	-12.3	113.6	E1703	R1662-E1703 HydrophobicContact CB-CB 4.19Å; R1662-E1703 IonicContact CZ-OE1 3.86Å; R1662-E1703 VanDerWaalsContact NH1-CD 3.29Å; R1662-E1703 IonicContact NH1-OE1 3.73Å; R1662-E1703 PolarHBondContact NH1-OE1 2.71Å; R1662-E1703 IonicContact NH1-OE2 2.96Å; R1662-E1703 IonicContact NH2-OE1 2.67Å; R1662-E1703 PolarHBondContact NH2-OE1 3.44Å
1663	H	89.1	Confident	93	Very high	16 Å²	16	20.1 Å²	20.1	7%	0.074	10%	0.097	C	C	.	.	S	Bend	trans	-91.5	159.6	-173.4	-65.6	-64.8	0	0	0	112.1	D1661 E1665 F1672 N1701 Y1727	D1661-H1663 VanDerWaalsContact C-N 3.27Å; D1661-H1663 PolarHBondContact O-N 2.76Å; D1661-H1663 WeakPolarHBondContact OD1-CB 3.28Å; D1661-H1663 IonicContact OD1-CD2 3.38Å; D1661-H1663 PolarHBondContact OD1-CD2 3Å; D1661-H1663 VanDerWaalsContact OD1-CD2 3.23Å; D1661-H1663 IonicContact OD1-CG 2.71Å; D1661-H1663 PolarHBondContact OD1-N 3.23Å; H1663-E1665 VanDerWaalsContact C-N 3.27Å; H1663-E1665 PolarHBondContact O-N 2.61Å; H1663-F1672 HydrophobicContact CB-CD2 4.21Å; H1663-F1672 HydrophobicContact CB-CE2 3.62Å; H1663-F1672 HydrophobicContact CB-CZ 4.34Å; H1663-F1672 AromaticContact CG-CD2 3.98Å; H1663-F1672 AromaticContact CG-CE2 3.91Å; H1663-N1701 PolarHBondContact O-N 2.83Å; H1663-Y1727 AromaticContact NE2-CD1 3.92Å; H1663-Y1727 AromaticContact NE2-CE1 2.76Å; H1663-Y1727 WeakPolarHBondContact NE2-CE1 3.34Å; H1663-Y1727 AromaticContact NE2-CE2 3.99Å; H1663-Y1727 AromaticContact NE2-CZ 2.82Å; H1663-Y1727 PolarHBondContact NE2-OH 3.43Å
1664	P	89.2	Confident	93	Very high	31 Å²	31	17.6 Å²	17.6	20%	0.201	8%	0.083	C	C	.	.	S	Bend	trans	-74.6	-12.5	177.5	28.6	-35.3	0	0	0	114.4	F1672 L1700 N1701 F1759	P1664-F1672 HydrophobicContact CG-CZ 4.04Å; P1664-L1700 WeakPolarHBondContact O-CD1 3.24Å; P1664-N1701 WeakPolarHBondContact CA-OD1 3.44Å; P1664-N1701 WeakPolarHBondContact CB-OD1 3.4Å; P1664-F1759 HydrophobicContact CB-CE1 4.04Å; P1664-F1759 HydrophobicContact CB-CZ 4.23Å; P1664-F1759 HydrophobicContact CG-CD1 4.26Å; P1664-F1759 HydrophobicContact CG-CE1 3.77Å; P1664-F1759 HydrophobicContact CG-CE2 4.31Å; P1664-F1759 HydrophobicContact CG-CZ 3.8Å
1665	E	92.2	Very high	92.9	Very high	40 Å²	40	17.6 Å²	17.6	19%	0.187	8%	0.083	C	C	.	.	S	Bend	trans	-134.8	154.8	178.2	-76.3	-58.1	153.9	0	0	111.6	H1663 T1671 F1672 R1688 F1759	H1663-E1665 VanDerWaalsContact C-N 3.27Å; H1663-E1665 PolarHBondContact O-N 2.61Å; E1665-T1671 HydrophobicContact CB-CG2 4.18Å; E1665-F1672 HydrophobicContact CB-CE2 4.28Å; E1665-F1672 HydrophobicContact CB-CZ 4.06Å; E1665-R1688 IonicContact OE1-NH1 3.99Å; E1665-R1688 PolarHBondContact OE1-NH1 3.31Å; E1665-R1688 WeakPolarHBondContact OE2-CD 3.31Å; E1665-R1688 IonicContact OE2-CZ 3.77Å; E1665-R1688 IonicContact OE2-NH1 2.78Å; E1665-R1688 PolarHBondContact OE2-NH1 3.21Å; E1665-F1759 HydrophobicContact CG-CZ 4.39Å
1666	I	94.1	Very high	92.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	170.2	176.6	69.1	160	0	0	0	112	A1639 L1644 T1671 M1684 R1688 F1698 L1700	A1639-I1666 HydrophobicContact CB-CB 4.14Å; A1639-I1666 HydrophobicContact CB-CG2 4.23Å; L1644-I1666 HydrophobicContact CD1-CD1 4.3Å; L1644-I1666 HydrophobicContact CD2-CB 4.47Å; L1644-I1666 HydrophobicContact CD2-CD1 4.21Å; I1666-T1671 WeakPolarHBondContact O-CB 3.43Å; I1666-T1671 PolarHBondContact O-OG1 3.34Å; I1666-M1684 HydrophobicContact CD1-CE 4.06Å; I1666-M1684 HydrophobicContact CG1-CE 4.16Å; I1666-R1688 HydrophobicContact CD1-CB 3.56Å; I1666-R1688 HydrophobicContact CD1-CG 4.13Å; I1666-R1688 HydrophobicContact CG1-CB 3.88Å; I1666-R1688 HydrophobicContact CG1-CG 4.23Å; I1666-R1688 HydrophobicContact CG2-CG 4.18Å; I1666-F1698 HydrophobicContact CG2-CD1 3.49Å; I1666-F1698 VanDerWaalsContact CG2-CD1 3.49Å; I1666-F1698 HydrophobicContact CG2-CE1 3.59Å; I1666-F1698 HydrophobicContact CG2-CG 4.01Å; I1666-F1698 HydrophobicContact CG2-CZ 4.17Å; I1666-L1700 HydrophobicContact CG2-CD1 4.49Å; I1666-L1700 HydrophobicContact CG2-CD2 3.94Å
1667	G	91.1	Very high	92.6	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.9	-15.5	175.3	0	0	0	0	0	114.1	A1639 L1669 L1670	A1639-G1667 CarbonylContact O-C 3.55Å; A1639-G1667 WeakPolarHBondContact O-CA 3.48Å; A1639-G1667 PolarHBondContact O-N 3.31Å; G1667-L1669 PolarHBondContact O-N 3.22Å; G1667-L1669 VanDerWaalsContact O-N 3.16Å; G1667-L1670 VanDerWaalsContact O-CB 3.3Å; G1667-L1670 WeakPolarHBondContact O-CB 3.36Å; G1667-L1670 WeakPolarHBondContact O-CG 3.49Å; G1667-L1670 PolarHBondContact O-N 2.67Å
1668	G	90.5	Very high	92.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	-120	-177	0	0	0	0	0	111.2	L1670 T1671 F1672	G1668-L1670 VanDerWaalsContact C-N 3.25Å; G1668-L1670 PolarHBondContact O-N 2.84Å; G1668-T1671 PolarHBondContact O-N 2.93Å; G1668-T1671 VanDerWaalsContact O-N 3.09Å; G1668-F1672 WeakPolarHBondContact O-CD2 3.38Å; G1668-F1672 PolarHBondContact O-N 3.31Å
1669	L	89.6	Confident	92.2	Very high	43 Å²	43	16.1 Å²	16.1	23%	0.225	8%	0.079	C	C	.	.	H	α-helix	trans	-68.9	-14.3	179.6	-60.8	-170.8	0	0	0	114.9	G1667 T1671 G1673 I1674 Y1727 L1746 I1750	G1667-L1669 PolarHBondContact O-N 3.22Å; G1667-L1669 VanDerWaalsContact O-N 3.16Å; L1669-T1671 VanDerWaalsContact C-N 3.29Å; L1669-G1673 CarbonylContact O-C 3.5Å; L1669-G1673 VanDerWaalsContact O-CA 3.25Å; L1669-G1673 WeakPolarHBondContact O-CA 3.46Å; L1669-G1673 PolarHBondContact O-N 2.64Å; L1669-I1674 PolarHBondContact O-N 3.17Å; L1669-Y1727 HydrophobicContact CD2-CD1 4.15Å; L1669-Y1727 HydrophobicContact CD2-CE1 3.45Å; L1669-Y1727 VanDerWaalsContact CD2-CE1 3.45Å; L1669-Y1727 HydrophobicContact CG-CE1 4.05Å; L1669-L1746 HydrophobicContact CD1-CD1 4.17Å; L1669-L1746 HydrophobicContact CD1-CD2 4.3Å; L1669-L1746 HydrophobicContact CD2-CD1 3.82Å; L1669-L1746 HydrophobicContact CD2-CD2 4.44Å; L1669-I1750 HydrophobicContact CD2-CD1 4.09Å
1670	L	91.6	Very high	91.9	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.016	9%	0.093	C	C	.	.	H	α-helix	trans	-61.9	-40.8	167.1	-64.2	177.8	0	0	0	111.4	L1575 V1578 P1641 G1667 G1668 I1674 L1679 K1681 M1684 V1937	L1575-L1670 HydrophobicContact CD1-CD1 4.07Å; V1578-L1670 HydrophobicContact CG1-CD1 4.22Å; V1578-L1670 HydrophobicContact CG1-CD2 3.96Å; P1641-L1670 HydrophobicContact CG-CD1 3.97Å; P1641-L1670 HydrophobicContact CG-CD2 4.31Å; P1641-L1670 HydrophobicContact CG-CG 4Å; G1667-L1670 VanDerWaalsContact O-CB 3.3Å; G1667-L1670 WeakPolarHBondContact O-CB 3.36Å; G1667-L1670 WeakPolarHBondContact O-CG 3.49Å; G1667-L1670 PolarHBondContact O-N 2.67Å; G1668-L1670 VanDerWaalsContact C-N 3.25Å; G1668-L1670 PolarHBondContact O-N 2.84Å; L1670-I1674 HydrophobicContact CD2-CD1 3.81Å; L1670-L1679 HydrophobicContact CB-CD2 4.22Å; L1670-L1679 HydrophobicContact CD2-CD2 4.45Å; L1670-K1681 PolarHBondContact O-NZ 2.77Å; L1670-M1684 HydrophobicContact CB-SD 4.22Å; L1670-M1684 HydrophobicContact CD1-CE 4.2Å; L1670-M1684 HydrophobicContact CD1-SD 3.9Å; L1670-V1937 HydrophobicContact CD2-CB 4.39Å; L1670-V1937 HydrophobicContact CD2-CG1 3.84Å; L1670-V1937 HydrophobicContact CD2-CG2 3.58Å
1671	T	92.9	Very high	91.6	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.012	10%	0.096	C	C	.	.	H	α-helix	trans	-82.8	-47.5	-176.8	-60.4	0	0	0	0	110.6	E1665 I1666 G1668 L1669 K1681 T1753 M1757	E1665-T1671 HydrophobicContact CB-CG2 4.18Å; I1666-T1671 WeakPolarHBondContact O-CB 3.43Å; I1666-T1671 PolarHBondContact O-OG1 3.34Å; G1668-T1671 PolarHBondContact O-N 2.93Å; G1668-T1671 VanDerWaalsContact O-N 3.09Å; L1669-T1671 VanDerWaalsContact C-N 3.29Å; T1671-K1681 WeakPolarHBondContact O-CD 3.28Å; T1671-K1681 WeakPolarHBondContact O-CE 3.14Å; T1671-K1681 PolarHBondContact O-NZ 3.24Å; T1671-T1753 VanDerWaalsContact O-CG2 3.25Å; T1671-T1753 WeakPolarHBondContact O-CG2 3.18Å; T1671-M1757 HydrophobicContact CG2-CE 4.06Å; T1671-M1757 HydrophobicContact CG2-SD 4.07Å
1672	F	90.3	Very high	91.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-101.8	-27.3	-171.4	-60.4	-75.3	0	0	0	115.3	H1663 P1664 E1665 G1668 I1750 T1753 K1754 M1757 F1759	H1663-F1672 HydrophobicContact CB-CD2 4.21Å; H1663-F1672 HydrophobicContact CB-CE2 3.62Å; H1663-F1672 HydrophobicContact CB-CZ 4.34Å; H1663-F1672 AromaticContact CG-CD2 3.98Å; H1663-F1672 AromaticContact CG-CE2 3.91Å; P1664-F1672 HydrophobicContact CG-CZ 4.04Å; E1665-F1672 HydrophobicContact CB-CE2 4.28Å; E1665-F1672 HydrophobicContact CB-CZ 4.06Å; G1668-F1672 WeakPolarHBondContact O-CD2 3.38Å; G1668-F1672 PolarHBondContact O-N 3.31Å; F1672-I1750 HydrophobicContact CB-CG1 4.1Å; F1672-I1750 HydrophobicContact CB-CG2 4.22Å; F1672-I1750 WeakPolarHBondContact O-CA 3.39Å; F1672-T1753 WeakPolarHBondContact O-CB 3.3Å; F1672-T1753 PolarHBondContact O-OG1 3.49Å; F1672-K1754 HydrophobicContact CD1-CG 4.1Å; F1672-K1754 HydrophobicContact CE1-CG 4.34Å; F1672-M1757 HydrophobicContact CE1-SD 4.32Å; F1672-F1759 HydrophobicContact CE1-CD2 4.1Å; F1672-F1759 AromaticContact CE1-CE2 3.92Å; F1672-F1759 HydrophobicContact CE1-CE2 3.92Å; F1672-F1759 HydrophobicContact CZ-CE2 4.29Å
1673	G	89.7	Confident	91.5	Very high	7 Å²	7	21.6 Å²	21.6	7%	0.072	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-46.4	-175.8	0	0	0	0	0	114	L1669	L1669-G1673 CarbonylContact O-C 3.5Å; L1669-G1673 VanDerWaalsContact O-CA 3.25Å; L1669-G1673 WeakPolarHBondContact O-CA 3.46Å; L1669-G1673 PolarHBondContact O-N 2.64Å
1674	I	92	Very high	91.7	Very high	25 Å²	25	21 Å²	21	13%	0.128	11%	0.107	C	C	.	.	S	Bend	trans	-75.4	128.7	177.6	-61.4	-179.5	0	0	0	109.1	V1582 L1669 L1670 K1678 L1679 K1681 V1937	V1582-I1674 HydrophobicContact CB-CD1 4.29Å; V1582-I1674 HydrophobicContact CG1-CD1 4.24Å; V1582-I1674 HydrophobicContact CG1-CG2 4.29Å; V1582-I1674 HydrophobicContact CG2-CD1 4.29Å; L1669-I1674 PolarHBondContact O-N 3.17Å; L1670-I1674 HydrophobicContact CD2-CD1 3.81Å; I1674-K1678 HydrophobicContact CG2-CB 3.97Å; I1674-L1679 HydrophobicContact CG2-CB 4.21Å; I1674-K1681 WeakPolarHBondContact O-CE 3.18Å; I1674-K1681 PolarHBondContact O-NZ 2.8Å; I1674-V1937 HydrophobicContact CD1-CG2 4.37Å
1675	P	93.6	Very high	91.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.114	C	C	.	.			trans	-67.1	152.5	179.3	-25.1	36.1	0	0	0	114.7	F1677 K1678 L1679 L1749 D1786	P1675-F1677 HydrophobicContact CB-CD1 3.63Å; P1675-F1677 HydrophobicContact CB-CD2 4.24Å; P1675-F1677 HydrophobicContact CB-CE1 3.23Å; P1675-F1677 HydrophobicContact CB-CE2 3.88Å; P1675-F1677 HydrophobicContact CB-CG 4.12Å; P1675-F1677 HydrophobicContact CB-CZ 3.36Å; P1675-F1677 HydrophobicContact CG-CE1 3.83Å; P1675-F1677 HydrophobicContact CG-CE2 4.14Å; P1675-F1677 HydrophobicContact CG-CZ 3.53Å; P1675-F1677 PolarHBondContact O-N 3.3Å; P1675-F1677 VanDerWaalsContact O-N 3.14Å; P1675-K1678 PolarHBondContact O-N 2.64Å; P1675-L1679 PolarHBondContact O-N 3.16Å; P1675-L1749 HydrophobicContact CG-CD2 4.19Å; P1675-D1786 VanDerWaalsContact CD-CG 3.42Å; P1675-D1786 WeakPolarHBondContact CD-OD2 3.42Å; P1675-D1786 HydrophobicContact CG-CB 3.7Å
1676	A	92.1	Very high	91.7	Very high	14 Å²	14	23.3 Å²	23.3	12%	0.116	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.3	179	0	0	0	0	0	114.2	F1513 K1678 L1679	F1513-A1676 HydrophobicContact CB-CB 4.46Å; F1513-A1676 WeakPolarHBondContact O-CB 3.46Å; A1676-K1678 PolarHBondContact O-N 3.31Å; A1676-L1679 WeakPolarHBondContact CA-O 3.37Å; A1676-L1679 CarbonylContact O-C 3.55Å; A1676-L1679 PolarHBondContact O-N 3.48Å
1677	F	93.3	Very high	91.7	Very high	1 Å²	1	23.4 Å²	23.4	0%	0.004	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-3.9	176.1	59.2	-106.7	0	0	0	115.3	F1513 V1514 I1516 P1675 R1789 R1793	F1513-F1677 AromaticContact CD1-CD1 3.82Å; F1513-F1677 HydrophobicContact CD1-CD1 3.82Å; F1513-F1677 HydrophobicContact CD1-CE1 4.2Å; F1513-F1677 HydrophobicContact CE1-CD1 4.17Å; F1513-F1677 HydrophobicContact CE1-CE1 4.1Å; V1514-F1677 VanDerWaalsContact O-CA 3.28Å; V1514-F1677 WeakPolarHBondContact O-CA 3.4Å; V1514-F1677 WeakPolarHBondContact O-CB 3.37Å; I1516-F1677 HydrophobicContact CG2-CB 4.37Å; P1675-F1677 HydrophobicContact CB-CD1 3.63Å; P1675-F1677 HydrophobicContact CB-CD2 4.24Å; P1675-F1677 HydrophobicContact CB-CE1 3.23Å; P1675-F1677 HydrophobicContact CB-CE2 3.88Å; P1675-F1677 HydrophobicContact CB-CG 4.12Å; P1675-F1677 HydrophobicContact CB-CZ 3.36Å; P1675-F1677 HydrophobicContact CG-CE1 3.83Å; P1675-F1677 HydrophobicContact CG-CE2 4.14Å; P1675-F1677 HydrophobicContact CG-CZ 3.53Å; P1675-F1677 PolarHBondContact O-N 3.3Å; P1675-F1677 VanDerWaalsContact O-N 3.14Å; F1677-R1789 HydrophobicContact CE1-CB 4.31Å; F1677-R1789 HydrophobicContact CE2-CB 3.68Å; F1677-R1789 HydrophobicContact CZ-CB 3.44Å; F1677-R1789 VanDerWaalsContact CZ-CB 3.44Å; F1677-R1793 VanDerWaalsContact CD1-NE 3.28Å
1678	K	92.3	Very high	91.8	Very high	27 Å²	27	27.1 Å²	27.1	12%	0.117	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-34.1	170.1	-71.6	167.3	73	179.8	0	112.7	I1674 P1675 A1676 D1786 E1816	I1674-K1678 HydrophobicContact CG2-CB 3.97Å; P1675-K1678 PolarHBondContact O-N 2.64Å; A1676-K1678 PolarHBondContact O-N 3.31Å; K1678-D1786 WeakPolarHBondContact CD-OD1 3.49Å; K1678-D1786 WeakPolarHBondContact CE-OD1 2.99Å; K1678-D1786 IonicContact NZ-OD1 2.82Å; K1678-D1786 PolarHBondContact NZ-OD1 3.45Å; K1678-D1786 IonicContact NZ-OD2 3.74Å; K1678-D1786 PolarHBondContact NZ-OD2 3.01Å; K1678-E1816 WeakPolarHBondContact CD-OE2 3.35Å
1679	L	93.8	Very high	91.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-147.8	106.6	-179.3	174.6	64.9	0	0	0	109.8	V1578 R1581 V1582 L1670 I1674 P1675 A1676 K1681 V1683	V1578-L1679 HydrophobicContact CG1-CD1 4.36Å; V1578-L1679 HydrophobicContact CG1-CD2 3.87Å; V1578-L1679 HydrophobicContact CG2-CD1 4.33Å; R1581-L1679 HydrophobicContact CB-CD1 4.44Å; R1581-L1679 VanDerWaalsContact CD-CD1 3.48Å; V1582-L1679 HydrophobicContact CG1-CB 3.73Å; V1582-L1679 HydrophobicContact CG1-CD2 4.15Å; V1582-L1679 HydrophobicContact CG1-CG 4.39Å; L1670-L1679 HydrophobicContact CB-CD2 4.22Å; L1670-L1679 HydrophobicContact CD2-CD2 4.45Å; I1674-L1679 HydrophobicContact CG2-CB 4.21Å; P1675-L1679 PolarHBondContact O-N 3.16Å; A1676-L1679 WeakPolarHBondContact CA-O 3.37Å; A1676-L1679 CarbonylContact O-C 3.55Å; A1676-L1679 PolarHBondContact O-N 3.48Å; L1679-K1681 WeakPolarHBondContact O-CE 3.45Å; L1679-K1681 PolarHBondContact O-NZ 2.91Å; L1679-V1683 HydrophobicContact CD1-CB 4.1Å; L1679-V1683 HydrophobicContact CD1-CG1 4.14Å; L1679-V1683 HydrophobicContact CD1-CG2 4.3Å
1680	E	91.8	Very high	92	Very high	64 Å²	64	30.7 Å²	30.7	30%	0.299	15%	0.146	S	C	.	.			trans	-65.3	141.6	175.7	-66.6	-163.5	-178	0	0	111.7	E1515 E1682 V1683	E1515-E1680 HydrophobicContact CB-CG 4.12Å; E1515-E1680 HydrophobicContact CG-CG 3.83Å; E1515-E1680 PolarHBondContact N-OE1 3.33Å; E1515-E1680 PolarHBondContact OE1-N 3.06Å; E1680-E1682 VanDerWaalsContact C-N 3.34Å; E1680-E1682 PolarHBondContact O-N 2.79Å; E1680-V1683 WeakPolarHBondContact O-CB 3.27Å; E1680-V1683 WeakPolarHBondContact O-CG2 3.22Å; E1680-V1683 PolarHBondContact O-N 2.93Å
1681	K	91.4	Very high	92.1	Very high	23 Å²	23	30.5 Å²	30.5	10%	0.1	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-24.1	-167.1	-54.2	-53.2	171.2	-156.6	0	113.7	L1670 T1671 I1674 L1679 V1683 M1684 T1685 M1757	L1670-K1681 PolarHBondContact O-NZ 2.77Å; T1671-K1681 WeakPolarHBondContact O-CD 3.28Å; T1671-K1681 WeakPolarHBondContact O-CE 3.14Å; T1671-K1681 PolarHBondContact O-NZ 3.24Å; I1674-K1681 WeakPolarHBondContact O-CE 3.18Å; I1674-K1681 PolarHBondContact O-NZ 2.8Å; L1679-K1681 WeakPolarHBondContact O-CE 3.45Å; L1679-K1681 PolarHBondContact O-NZ 2.91Å; K1681-V1683 PolarHBondContact O-N 3.16Å; K1681-M1684 PolarHBondContact O-N 3.11Å; K1681-T1685 PolarHBondContact O-N 2.87Å; K1681-T1685 PolarHBondContact O-OG1 3.03Å; K1681-M1757 HydrophobicContact CB-CE 4.1Å; K1681-M1757 HydrophobicContact CB-SD 4.33Å; K1681-M1757 HydrophobicContact CG-CE 4.44Å; K1681-M1757 HydrophobicContact CG-CG 4.44Å; K1681-M1757 HydrophobicContact CG-SD 4.01Å
1682	E	90.1	Very high	92.2	Very high	149 Å²	149	34 Å²	34	70%	0.696	17%	0.167	S	C	*	.	H	α-helix	trans	-57.5	-29.8	171.8	-169.1	175.3	171.7	0	0	112.7	E1680 M1684 T1685 R1686	E1680-E1682 VanDerWaalsContact C-N 3.34Å; E1680-E1682 PolarHBondContact O-N 2.79Å; E1682-M1684 VanDerWaalsContact C-N 3.3Å; E1682-M1684 PolarHBondContact O-N 3.3Å; E1682-T1685 PolarHBondContact O-N 3.06Å; E1682-R1686 WeakPolarHBondContact O-CB 3.48Å; E1682-R1686 PolarHBondContact O-N 2.84Å
1683	V	91.8	Very high	92.2	Very high	8 Å²	8	37.5 Å²	37.5	5%	0.048	20%	0.203	C	C	.	.	H	α-helix	trans	-59	-42.1	175	-177.8	0	0	0	0	111.2	E1577 V1578 L1679 E1680 K1681 R1687	E1577-V1683 HydrophobicContact CG-CG1 3.52Å; V1578-V1683 HydrophobicContact CG2-CG1 4.13Å; L1679-V1683 HydrophobicContact CD1-CB 4.1Å; L1679-V1683 HydrophobicContact CD1-CG1 4.14Å; L1679-V1683 HydrophobicContact CD1-CG2 4.3Å; E1680-V1683 WeakPolarHBondContact O-CB 3.27Å; E1680-V1683 WeakPolarHBondContact O-CG2 3.22Å; E1680-V1683 PolarHBondContact O-N 2.93Å; K1681-V1683 PolarHBondContact O-N 3.16Å; V1683-R1687 WeakPolarHBondContact O-CB 3.44Å; V1683-R1687 PolarHBondContact O-N 3.45Å; V1683-R1687 VanDerWaalsContact O-N 3.11Å
1684	M	92.9	Very high	92.4	Very high	3 Å²	3	38 Å²	38	2%	0.015	20%	0.203	C	C	.	.	H	α-helix	trans	-73.6	-36.9	177.6	-67.1	-53.9	-46.4	0	0	112.2	V1578 L1644 I1666 L1670 K1681 E1682 R1687 R1688	V1578-M1684 HydrophobicContact CG2-SD 3.93Å; L1644-M1684 HydrophobicContact CD1-CE 4.03Å; I1666-M1684 HydrophobicContact CD1-CE 4.06Å; I1666-M1684 HydrophobicContact CG1-CE 4.16Å; L1670-M1684 HydrophobicContact CB-SD 4.22Å; L1670-M1684 HydrophobicContact CD1-CE 4.2Å; L1670-M1684 HydrophobicContact CD1-SD 3.9Å; K1681-M1684 PolarHBondContact O-N 3.11Å; E1682-M1684 VanDerWaalsContact C-N 3.3Å; E1682-M1684 PolarHBondContact O-N 3.3Å; M1684-R1687 PolarHBondContact O-N 2.92Å; M1684-R1688 PolarHBondContact O-N 2.96Å
1685	T	90.2	Very high	92.4	Very high	58 Å²	58	38.8 Å²	38.8	36%	0.356	22%	0.218	S	C	.	.	H	α-helix	trans	-59.2	-50.1	173.3	-48.6	0	0	0	0	111	K1681 E1682 R1687 R1688 E1689	K1681-T1685 PolarHBondContact O-N 2.87Å; K1681-T1685 PolarHBondContact O-OG1 3.03Å; E1682-T1685 PolarHBondContact O-N 3.06Å; T1685-R1687 VanDerWaalsContact C-N 3.3Å; T1685-R1687 PolarHBondContact O-N 2.63Å; T1685-R1688 VanDerWaalsContact O-CB 3.3Å; T1685-R1688 WeakPolarHBondContact O-CB 3.27Å; T1685-R1688 PolarHBondContact O-N 3.05Å; T1685-R1688 VanDerWaalsContact O-N 3.12Å; T1685-E1689 PolarHBondContact O-N 2.82Å; T1685-E1689 VanDerWaalsContact O-N 3.16Å
1686	R	91.6	Very high	92.5	Very high	63 Å²	63	38.9 Å²	38.9	24%	0.238	22%	0.218	C	C	.	.	H	α-helix	trans	-58.9	-39.5	176.2	-175.3	173.2	67.1	-169.6	-0.6	112.2	D1613 E1682 E1689 I1690	D1613-R1686 IonicContact OD1-CZ 3.89Å; D1613-R1686 IonicContact OD1-NH2 2.63Å; D1613-R1686 PolarHBondContact OD1-NH2 3.43Å; E1682-R1686 WeakPolarHBondContact O-CB 3.48Å; E1682-R1686 PolarHBondContact O-N 2.84Å; R1686-E1689 PolarHBondContact O-N 2.94Å; R1686-I1690 WeakPolarHBondContact O-CG1 3.38Å; R1686-I1690 PolarHBondContact O-N 3.38Å
1687	R	92.5	Very high	92.7	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	23%	0.226	C	C	.	.	H	α-helix	trans	-66.5	-37.6	176	-178.2	54.6	54.9	-176.5	-1.2	112.6	H1570 L1575 E1577 V1683 M1684 T1685 E1689 I1690 F1691	H1570-R1687 PolarHBondContact CE1-NH2 2.85Å; H1570-R1687 PolarHBondContact NE2-NH2 2.97Å; L1575-R1687 HydrophobicContact CD2-CG 3.57Å; E1577-R1687 IonicContact OE1-CZ 3.73Å; E1577-R1687 IonicContact OE1-NE 2.64Å; E1577-R1687 PolarHBondContact OE1-NE 2.92Å; E1577-R1687 IonicContact OE1-NH2 2.79Å; E1577-R1687 PolarHBondContact OE1-NH2 3.24Å; E1577-R1687 IonicContact OE2-CZ 2.89Å; E1577-R1687 IonicContact OE2-NH2 3.88Å; E1577-R1687 PolarHBondContact OE2-NH2 2.77Å; V1683-R1687 WeakPolarHBondContact O-CB 3.44Å; V1683-R1687 PolarHBondContact O-N 3.45Å; V1683-R1687 VanDerWaalsContact O-N 3.11Å; M1684-R1687 PolarHBondContact O-N 2.92Å; T1685-R1687 VanDerWaalsContact C-N 3.3Å; T1685-R1687 PolarHBondContact O-N 2.63Å; R1687-E1689 VanDerWaalsContact C-N 3.34Å; R1687-E1689 PolarHBondContact O-N 3.27Å; R1687-I1690 PolarHBondContact O-N 3.49Å; R1687-F1691 HydrophobicContact CG-CD2 3.98Å; R1687-F1691 HydrophobicContact CG-CE2 3.63Å; R1687-F1691 HydrophobicContact CG-CZ 4.04Å; R1687-F1691 PolarHBondContact O-N 3.14Å
1688	R	93.4	Very high	92.9	Very high	78 Å²	78	42.6 Å²	42.6	29%	0.294	23%	0.233	S	C	.	.	H	α-helix	trans	-59.8	-43.8	173.8	-173.3	-178.8	160.7	-171.3	-7.2	111.7	E1665 I1666 M1684 T1685 F1691 T1692	E1665-R1688 IonicContact OE1-NH1 3.99Å; E1665-R1688 PolarHBondContact OE1-NH1 3.31Å; E1665-R1688 WeakPolarHBondContact OE2-CD 3.31Å; E1665-R1688 IonicContact OE2-CZ 3.77Å; E1665-R1688 IonicContact OE2-NH1 2.78Å; E1665-R1688 PolarHBondContact OE2-NH1 3.21Å; I1666-R1688 HydrophobicContact CD1-CB 3.56Å; I1666-R1688 HydrophobicContact CD1-CG 4.13Å; I1666-R1688 HydrophobicContact CG1-CB 3.88Å; I1666-R1688 HydrophobicContact CG1-CG 4.23Å; I1666-R1688 HydrophobicContact CG2-CG 4.18Å; M1684-R1688 PolarHBondContact O-N 2.96Å; T1685-R1688 VanDerWaalsContact O-CB 3.3Å; T1685-R1688 WeakPolarHBondContact O-CB 3.27Å; T1685-R1688 PolarHBondContact O-N 3.05Å; T1685-R1688 VanDerWaalsContact O-N 3.12Å; R1688-F1691 PolarHBondContact O-N 2.84Å; R1688-T1692 WeakPolarHBondContact O-CB 3.12Å; R1688-T1692 PolarHBondContact O-N 2.98Å; R1688-T1692 PolarHBondContact O-OG1 3.42Å
1689	E	92.5	Very high	93.1	Very high	115 Å²	115	45.2 Å²	45.2	54%	0.537	24%	0.244	S	C	.	.	H	α-helix	trans	-60.7	-45.6	176.3	-65.7	175.2	176.2	0	0	111.6	T1685 R1686 R1687 T1692 G1693	T1685-E1689 PolarHBondContact O-N 2.82Å; T1685-E1689 VanDerWaalsContact O-N 3.16Å; R1686-E1689 PolarHBondContact O-N 2.94Å; R1687-E1689 VanDerWaalsContact C-N 3.34Å; R1687-E1689 PolarHBondContact O-N 3.27Å; E1689-T1692 PolarHBondContact O-N 3.36Å; E1689-G1693 PolarHBondContact O-N 3.48Å
1690	I	92.1	Very high	93.1	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.015	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-50.6	177.3	-66.1	168.4	0	0	0	110.7	F1616 P1622 R1686 R1687 T1692 G1693 M1694	F1616-I1690 HydrophobicContact CD1-CD1 3.88Å; F1616-I1690 HydrophobicContact CE1-CD1 3.68Å; P1622-I1690 HydrophobicContact CG-CG2 3.98Å; R1686-I1690 WeakPolarHBondContact O-CG1 3.38Å; R1686-I1690 PolarHBondContact O-N 3.38Å; R1687-I1690 PolarHBondContact O-N 3.49Å; I1690-T1692 PolarHBondContact O-N 3.37Å; I1690-G1693 CarbonylContact O-C 3.52Å; I1690-G1693 WeakPolarHBondContact O-CA 3.39Å; I1690-G1693 PolarHBondContact O-N 3.12Å; I1690-G1693 VanDerWaalsContact O-N 3.16Å; I1690-M1694 HydrophobicContact CG2-SD 4.42Å; I1690-M1694 WeakPolarHBondContact O-CG 3.38Å; I1690-M1694 PolarHBondContact O-N 3.27Å
1691	F	94.8	Very high	93.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65.9	-37.7	-179.9	-72.4	-21.4	0	0	0	113.4	T1574 L1575 L1644 D1648 R1687 R1688 G1693 M1694 G1695 I1696 F1698	T1574-F1691 HydrophobicContact CG2-CE1 4.2Å; T1574-F1691 HydrophobicContact CG2-CZ 3.55Å; L1575-F1691 HydrophobicContact CD2-CE2 4.23Å; L1575-F1691 HydrophobicContact CD2-CZ 4.14Å; L1644-F1691 HydrophobicContact CB-CE2 4.06Å; L1644-F1691 HydrophobicContact CD1-CE2 4.49Å; L1644-F1691 HydrophobicContact CD2-CD2 4.1Å; L1644-F1691 HydrophobicContact CD2-CE2 4.06Å; L1644-F1691 HydrophobicContact CG-CE2 4.42Å; D1648-F1691 HydrophobicContact CB-CE1 4.07Å; D1648-F1691 HydrophobicContact CB-CZ 4.27Å; R1687-F1691 HydrophobicContact CG-CD2 3.98Å; R1687-F1691 HydrophobicContact CG-CE2 3.63Å; R1687-F1691 HydrophobicContact CG-CZ 4.04Å; R1687-F1691 PolarHBondContact O-N 3.14Å; R1688-F1691 PolarHBondContact O-N 2.84Å; F1691-G1693 VanDerWaalsContact C-N 3.29Å; F1691-G1693 PolarHBondContact O-N 3.18Å; F1691-M1694 HydrophobicContact CD1-SD 3.75Å; F1691-M1694 HydrophobicContact CE1-SD 4.29Å; F1691-M1694 WeakPolarHBondContact O-CB 3.3Å; F1691-M1694 PolarHBondContact O-N 2.85Å; F1691-G1695 PolarHBondContact O-N 3.15Å; F1691-I1696 HydrophobicContact CB-CB 4.32Å; F1691-I1696 HydrophobicContact CB-CD1 3.75Å; F1691-I1696 HydrophobicContact CD1-CD1 3.93Å; F1691-I1696 HydrophobicContact CG-CD1 3.85Å; F1691-I1696 WeakPolarHBondContact O-CB 3.41Å; F1691-I1696 PolarHBondContact O-N 3.35Å; F1691-F1698 HydrophobicContact CB-CE2 3.85Å; F1691-F1698 HydrophobicContact CB-CZ 3.93Å; F1691-F1698 HydrophobicContact CD2-CZ 4.17Å
1692	T	94.5	Very high	93.2	Very high	76 Å²	76	48.4 Å²	48.4	47%	0.466	27%	0.265	S	S	.	.	H	α-helix	trans	-63.2	-39.9	172.8	-51.6	0	0	0	0	110.4	R1688 E1689 I1690 M1694 G1695	R1688-T1692 WeakPolarHBondContact O-CB 3.12Å; R1688-T1692 PolarHBondContact O-N 2.98Å; R1688-T1692 PolarHBondContact O-OG1 3.42Å; E1689-T1692 PolarHBondContact O-N 3.36Å; I1690-T1692 PolarHBondContact O-N 3.37Å; T1692-M1694 VanDerWaalsContact C-N 3.31Å; T1692-M1694 PolarHBondContact O-N 2.93Å; T1692-G1695 PolarHBondContact O-N 3.2Å
1693	G	90.9	Very high	93.1	Very high	73 Å²	73	43.4 Å²	43.4	75%	0.753	24%	0.242	S	C	*	.	H	α-helix	trans	-65.3	-27	174.6	0	0	0	0	0	114.7	E1689 I1690 F1691 G1695	E1689-G1693 PolarHBondContact O-N 3.48Å; I1690-G1693 CarbonylContact O-C 3.52Å; I1690-G1693 WeakPolarHBondContact O-CA 3.39Å; I1690-G1693 PolarHBondContact O-N 3.12Å; I1690-G1693 VanDerWaalsContact O-N 3.16Å; F1691-G1693 VanDerWaalsContact C-N 3.29Å; F1691-G1693 PolarHBondContact O-N 3.18Å; G1693-G1695 VanDerWaalsContact C-N 3.28Å
1694	M	92.4	Very high	92.9	Very high	16 Å²	16	43.5 Å²	43.5	8%	0.079	24%	0.243	C	C	.	.	H	α-helix	trans	-75.5	-14.6	170.9	-66.6	169.2	62.8	0	0	113.4	P1622 M1624 D1648 T1651 R1652 I1690 F1691 T1692	P1622-M1694 HydrophobicContact CB-CG 4.42Å; P1622-M1694 HydrophobicContact CB-SD 4.24Å; P1622-M1694 HydrophobicContact CG-CG 4.24Å; P1622-M1694 HydrophobicContact CG-SD 3.76Å; M1624-M1694 HydrophobicContact CE-CB 4.29Å; M1624-M1694 HydrophobicContact CE-CE 4.39Å; M1624-M1694 HydrophobicContact CG-CB 4.46Å; M1624-M1694 HydrophobicContact CG-CG 4.19Å; M1624-M1694 HydrophobicContact SD-CB 4.27Å; M1624-M1694 HydrophobicContact SD-CE 3.89Å; M1624-M1694 HydrophobicContact SD-CG 4.02Å; D1648-M1694 WeakPolarHBondContact OD1-CE 3.28Å; T1651-M1694 HydrophobicContact CG2-CB 4.28Å; T1651-M1694 WeakPolarHBondContact CG2-O 3.25Å; R1652-M1694 HydrophobicContact CG-CE 3.8Å; I1690-M1694 HydrophobicContact CG2-SD 4.42Å; I1690-M1694 WeakPolarHBondContact O-CG 3.38Å; I1690-M1694 PolarHBondContact O-N 3.27Å; F1691-M1694 HydrophobicContact CD1-SD 3.75Å; F1691-M1694 HydrophobicContact CE1-SD 4.29Å; F1691-M1694 WeakPolarHBondContact O-CB 3.3Å; F1691-M1694 PolarHBondContact O-N 2.85Å; T1692-M1694 VanDerWaalsContact C-N 3.31Å; T1692-M1694 PolarHBondContact O-N 2.93Å
1695	G	92	Very high	92.4	Very high	42 Å²	42	44.6 Å²	44.6	43%	0.433	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.3	8.4	-176.9	0	0	0	0	0	115.6	F1691 T1692 G1693 E1697	F1691-G1695 PolarHBondContact O-N 3.15Å; T1692-G1695 PolarHBondContact O-N 3.2Å; G1693-G1695 VanDerWaalsContact C-N 3.28Å; G1695-E1697 PolarHBondContact O-N 3.38Å
1696	I	96.7	Very high	92.1	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.015	27%	0.265	C	S	.	.			trans	-70.6	125.2	172.1	-62.3	164.1	0	0	0	108.8	A1647 T1651 V1659 F1691 F1698	A1647-I1696 HydrophobicContact CB-CD1 3.92Å; A1647-I1696 HydrophobicContact CB-CG1 4.3Å; A1647-I1696 HydrophobicContact CB-CG2 4.07Å; T1651-I1696 HydrophobicContact CG2-CG1 4.11Å; T1651-I1696 VanDerWaalsContact OG1-CG1 3.22Å; T1651-I1696 WeakPolarHBondContact OG1-CG1 3.44Å; V1659-I1696 HydrophobicContact CG2-CG2 3.76Å; F1691-I1696 HydrophobicContact CB-CB 4.32Å; F1691-I1696 HydrophobicContact CB-CD1 3.75Å; F1691-I1696 HydrophobicContact CD1-CD1 3.93Å; F1691-I1696 HydrophobicContact CG-CD1 3.85Å; F1691-I1696 WeakPolarHBondContact O-CB 3.41Å; F1691-I1696 PolarHBondContact O-N 3.35Å; I1696-F1698 HydrophobicContact CB-CE2 4.12Å; I1696-F1698 HydrophobicContact CB-CZ 4.32Å; I1696-F1698 HydrophobicContact CG2-CD2 4.3Å; I1696-F1698 HydrophobicContact CG2-CE1 4.06Å; I1696-F1698 HydrophobicContact CG2-CE2 3.69Å; I1696-F1698 HydrophobicContact CG2-CZ 3.55Å
1697	E	97	Very high	92.1	Very high	61 Å²	61	49.8 Å²	49.8	29%	0.285	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	126	-179.9	-174	176.1	165.4	0	0	110.8	K1656 A1657 V1658 V1659 G1695 K1699	K1656-E1697 WeakPolarHBondContact CE-OE2 3.41Å; K1656-E1697 IonicContact NZ-OE2 3.82Å; K1656-E1697 PolarHBondContact NZ-OE2 2.96Å; A1657-E1697 PolarHBondContact O-N 3.24Å; V1658-E1697 CarbonylContact C-O 3.51Å; V1658-E1697 WeakPolarHBondContact CA-O 3.47Å; V1658-E1697 HydrophobicContact CG1-CB 4.26Å; V1658-E1697 HydrophobicContact CG1-CG 4.33Å; V1658-E1697 HydrophobicContact CG2-CB 4.19Å; V1659-E1697 PolarHBondContact N-O 2.83Å; G1695-E1697 PolarHBondContact O-N 3.38Å; E1697-K1699 WeakPolarHBondContact OE1-CE 3.23Å; E1697-K1699 IonicContact OE1-NZ 2.81Å; E1697-K1699 PolarHBondContact OE1-NZ 3.08Å
1698	F	96.8	Very high	91.9	Very high	31 Å²	31	51.4 Å²	51.4	14%	0.136	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	122.7	179.8	-66.6	-80.5	0	0	0	112.2	L1644 V1659 I1666 F1691 I1696 L1700	L1644-F1698 HydrophobicContact CD2-CE1 3.71Å; L1644-F1698 HydrophobicContact CD2-CZ 4Å; V1659-F1698 HydrophobicContact CB-CD1 3.7Å; V1659-F1698 HydrophobicContact CB-CE1 3.86Å; V1659-F1698 HydrophobicContact CG1-CD1 4.08Å; V1659-F1698 HydrophobicContact CG1-CE1 4.11Å; V1659-F1698 HydrophobicContact CG2-CD1 4.22Å; V1659-F1698 HydrophobicContact CG2-CE1 3.91Å; V1659-F1698 CarbonylContact O-C 3.52Å; V1659-F1698 WeakPolarHBondContact O-CA 3.27Å; I1666-F1698 HydrophobicContact CG2-CD1 3.49Å; I1666-F1698 VanDerWaalsContact CG2-CD1 3.49Å; I1666-F1698 HydrophobicContact CG2-CE1 3.59Å; I1666-F1698 HydrophobicContact CG2-CG 4.01Å; I1666-F1698 HydrophobicContact CG2-CZ 4.17Å; F1691-F1698 HydrophobicContact CB-CE2 3.85Å; F1691-F1698 HydrophobicContact CB-CZ 3.93Å; F1691-F1698 HydrophobicContact CD2-CZ 4.17Å; I1696-F1698 HydrophobicContact CB-CE2 4.12Å; I1696-F1698 HydrophobicContact CB-CZ 4.32Å; I1696-F1698 HydrophobicContact CG2-CD2 4.3Å; I1696-F1698 HydrophobicContact CG2-CE1 4.06Å; I1696-F1698 HydrophobicContact CG2-CE2 3.69Å; I1696-F1698 HydrophobicContact CG2-CZ 3.55Å; F1698-L1700 HydrophobicContact CB-CD2 4.25Å; F1698-L1700 HydrophobicContact CB-CG 4.14Å
1699	K	96.1	Very high	91.7	Very high	82 Å²	82	51.6 Å²	51.6	36%	0.357	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	83.7	169.6	-58.9	-54	-161.6	-164.4	0	109.4	V1658 V1659 F1660 D1661 E1697	V1658-K1699 HydrophobicContact CG1-CG 4.11Å; V1659-K1699 PolarHBondContact O-N 3.11Å; F1660-K1699 WeakPolarHBondContact CA-O 3.48Å; F1660-K1699 HydrophobicContact CD1-CB 3.6Å; F1660-K1699 HydrophobicContact CD1-CG 3.91Å; F1660-K1699 HydrophobicContact CE1-CB 3.94Å; F1660-K1699 HydrophobicContact CE1-CG 3.7Å; F1660-K1699 HydrophobicContact CG-CB 4.16Å; F1660-K1699 HydrophobicContact CZ-CG 4.16Å; D1661-K1699 PolarHBondContact N-O 3.38Å; E1697-K1699 WeakPolarHBondContact OE1-CE 3.23Å; E1697-K1699 IonicContact OE1-NZ 2.81Å; E1697-K1699 PolarHBondContact OE1-NZ 3.08Å
1700	L	93.9	Very high	91.5	Very high	27 Å²	27	46.2 Å²	46.2	14%	0.141	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	162.6	-179.4	-56.4	177.8	0	0	0	111.1	D1661 P1664 I1666 F1698 T1702	D1661-L1700 HydrophobicContact CB-CD2 4.17Å; D1661-L1700 CarbonylContact O-C 3.58Å; P1664-L1700 WeakPolarHBondContact O-CD1 3.24Å; I1666-L1700 HydrophobicContact CG2-CD1 4.49Å; I1666-L1700 HydrophobicContact CG2-CD2 3.94Å; F1698-L1700 HydrophobicContact CB-CD2 4.25Å; F1698-L1700 HydrophobicContact CB-CG 4.14Å; L1700-T1702 PolarHBondContact O-N 2.99Å; L1700-T1702 PolarHBondContact O-OG1 2.89Å; L1700-T1702 VanDerWaalsContact O-OG1 3.11Å
1701	N	92	Very high	91.3	Very high	98 Å²	98	50.7 Å²	50.7	52%	0.524	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	30	-171.1	-53.9	-75.1	0	0	0	114.1	D1661 H1663 P1664	D1661-N1701 PolarHBondContact O-N 2.81Å; H1663-N1701 PolarHBondContact O-N 2.83Å; P1664-N1701 WeakPolarHBondContact CA-OD1 3.44Å; P1664-N1701 WeakPolarHBondContact CB-OD1 3.4Å
1702	T	92.4	Very high	91.1	Very high	29 Å²	29	54.5 Å²	54.5	18%	0.178	31%	0.307	C	S	.	.			trans	-122.2	102.6	-176.3	-52.8	0	0	0	0	109.8	F1660 D1661 L1700 D1707 V1708	F1660-T1702 HydrophobicContact CD1-CG2 3.98Å; D1661-T1702 CarbonylContact C-O 3.54Å; D1661-T1702 VanDerWaalsContact C-O 3.32Å; D1661-T1702 PolarHBondContact O-N 2.89Å; L1700-T1702 PolarHBondContact O-N 2.99Å; L1700-T1702 PolarHBondContact O-OG1 2.89Å; L1700-T1702 VanDerWaalsContact O-OG1 3.11Å; T1702-D1707 HydrophobicContact CG2-CB 4.21Å; T1702-V1708 HydrophobicContact CG2-CB 4.49Å; T1702-V1708 HydrophobicContact CG2-CG2 3.66Å
1703	E	88.8	Confident	91	Very high	44 Å²	44	51.1 Å²	51.1	21%	0.206	29%	0.286	C	S	.	.			trans	-91.8	111.2	179.8	-178.7	168.5	-162.3	0	0	111.2	R1662 G1705 R1706 D1707	R1662-E1703 HydrophobicContact CB-CB 4.19Å; R1662-E1703 IonicContact CZ-OE1 3.86Å; R1662-E1703 VanDerWaalsContact NH1-CD 3.29Å; R1662-E1703 IonicContact NH1-OE1 3.73Å; R1662-E1703 PolarHBondContact NH1-OE1 2.71Å; R1662-E1703 IonicContact NH1-OE2 2.96Å; R1662-E1703 IonicContact NH2-OE1 2.67Å; R1662-E1703 PolarHBondContact NH2-OE1 3.44Å; E1703-G1705 PolarHBondContact O-N 2.9Å; E1703-R1706 HydrophobicContact CB-CB 4.27Å; E1703-R1706 HydrophobicContact CG-CB 4.26Å; E1703-R1706 PolarHBondContact O-N 3.1Å; E1703-R1706 IonicContact OE2-CZ 3.24Å; E1703-R1706 IonicContact OE2-NE 3.14Å; E1703-R1706 IonicContact OE2-NH1 3.79Å; E1703-R1706 PolarHBondContact OE2-NH1 3.4Å; E1703-D1707 PolarHBondContact N-OD2 3.31Å; E1703-D1707 PolarHBondContact O-N 2.63Å
1704	V	86.7	Confident	91	Very high	11 Å²	11	48.9 Å²	48.9	7%	0.067	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-66.2	134.6	176.1	-178.1	0	0	0	0	110.6	I1637 F1660 V1708 L1713	I1637-V1704 HydrophobicContact CD1-CB 4.27Å; I1637-V1704 HydrophobicContact CD1-CG1 4Å; I1637-V1704 HydrophobicContact CD1-CG2 4.09Å; I1637-V1704 HydrophobicContact CG1-CG2 4.36Å; I1637-V1704 HydrophobicContact CG2-CB 3.95Å; I1637-V1704 HydrophobicContact CG2-CG2 3.71Å; F1660-V1704 HydrophobicContact CB-CG2 4.18Å; V1704-V1708 CarbonylContact C-O 3.59Å; V1704-V1708 WeakPolarHBondContact CA-O 3.4Å; V1704-L1713 HydrophobicContact CG1-CD1 4.04Å; V1704-L1713 HydrophobicContact CG2-CD1 3.88Å
1705	G	82.7	Confident	90.9	Very high	26 Å²	26	52.5 Å²	52.5	27%	0.268	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.6	-24.3	-168	0	0	0	0	0	113.1	E1703 V1708 Q1709	E1703-G1705 PolarHBondContact O-N 2.9Å; G1705-V1708 PolarHBondContact N-O 2.92Å; G1705-Q1709 PolarHBondContact O-NE2 2.87Å
1706	R	85.4	Confident	91	Very high	153 Å²	153	56 Å²	56	58%	0.577	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	-57.4	176.3	-169.9	-171.6	72.6	-155.8	4	112.3	E1703	E1703-R1706 HydrophobicContact CB-CB 4.27Å; E1703-R1706 HydrophobicContact CG-CB 4.26Å; E1703-R1706 PolarHBondContact O-N 3.1Å; E1703-R1706 IonicContact OE2-CZ 3.24Å; E1703-R1706 IonicContact OE2-NE 3.14Å; E1703-R1706 IonicContact OE2-NH1 3.79Å; E1703-R1706 PolarHBondContact OE2-NH1 3.4Å
1707	D	90.2	Very high	91	Very high	76 Å²	76	57.5 Å²	57.5	41%	0.406	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-27.4	-170.6	-52.1	-38.5	0	0	0	112.5	T1702 E1703	T1702-D1707 HydrophobicContact CG2-CB 4.21Å; E1703-D1707 PolarHBondContact N-OD2 3.31Å; E1703-D1707 PolarHBondContact O-N 2.63Å
1708	V	88.3	Confident	91	Very high	35 Å²	35	56.9 Å²	56.9	21%	0.212	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-139.5	138.6	174.9	178.4	0	0	0	0	107.6	T1702 V1704 G1705 D1712 L1713	T1702-V1708 HydrophobicContact CG2-CB 4.49Å; T1702-V1708 HydrophobicContact CG2-CG2 3.66Å; V1704-V1708 CarbonylContact C-O 3.59Å; V1704-V1708 WeakPolarHBondContact CA-O 3.4Å; G1705-V1708 PolarHBondContact N-O 2.92Å; V1708-D1712 HydrophobicContact CG1-CB 4.49Å; V1708-L1713 HydrophobicContact CG1-CD1 4.39Å; V1708-L1713 HydrophobicContact CG1-CD2 3.97Å; V1708-L1713 HydrophobicContact CG1-CG 3.99Å
1709	Q	89.9	Confident	91	Very high	82 Å²	82	55.4 Å²	55.4	38%	0.383	29%	0.29	S	S	.	.			trans	-91.2	153.8	179.1	-58.8	-59.9	-49.4	0	0	111.3	G1705 D1711 D1712	G1705-Q1709 PolarHBondContact O-NE2 2.87Å; Q1709-D1711 VanDerWaalsContact C-N 3.28Å; Q1709-D1711 PolarHBondContact O-N 2.77Å; Q1709-D1712 WeakPolarHBondContact CB-OD2 3.28Å; Q1709-D1712 PolarHBondContact N-OD2 2.82Å; Q1709-D1712 PolarHBondContact O-N 3.47Å
1710	L	88.2	Confident	91	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-66.4	-32.4	-179.9	-170.8	69.4	0	0	0	112	I1637 D1712 L1713 L1714 V1720 W1893 H1897 I1924	I1637-L1710 HydrophobicContact CD1-CD1 3.65Å; L1710-D1712 VanDerWaalsContact C-N 3.31Å; L1710-D1712 PolarHBondContact O-N 3.2Å; L1710-L1713 HydrophobicContact CD1-CD1 4.45Å; L1710-L1713 PolarHBondContact O-N 3.47Å; L1710-L1713 VanDerWaalsContact O-N 3.16Å; L1710-L1714 HydrophobicContact CD2-CD1 4.19Å; L1710-L1714 HydrophobicContact CG-CD1 4.01Å; L1710-L1714 HydrophobicContact CG-CG 4.24Å; L1710-L1714 WeakPolarHBondContact O-CG 3.38Å; L1710-L1714 PolarHBondContact O-N 3.28Å; L1710-V1720 HydrophobicContact CD1-CG1 4.12Å; L1710-W1893 HydrophobicContact CB-CE3 4.19Å; L1710-W1893 HydrophobicContact CB-CZ3 4.44Å; L1710-W1893 HydrophobicContact CD1-CZ3 4.21Å; L1710-W1893 HydrophobicContact CD2-CE3 3.9Å; L1710-W1893 HydrophobicContact CD2-CZ3 3.81Å; L1710-W1893 HydrophobicContact CG-CE3 4.49Å; L1710-W1893 HydrophobicContact CG-CZ3 4.37Å; L1710-H1897 HydrophobicContact CD2-CB 4.32Å; L1710-H1897 VanDerWaalsContact CD2-CD2 3.4Å; L1710-H1897 WeakPolarHBondContact CD2-CD2 3.27Å; L1710-I1924 HydrophobicContact CD2-CD1 4.01Å
1711	D	87.4	Confident	91.2	Very high	97 Å²	97	50.2 Å²	50.2	52%	0.519	27%	0.267	S	S	.	.	H	α-helix	trans	-57.2	-42.3	175.7	-74.1	-52.1	0	0	0	112.3	Q1709 L1713 L1714 S1715 H1897	Q1709-D1711 VanDerWaalsContact C-N 3.28Å; Q1709-D1711 PolarHBondContact O-N 2.77Å; D1711-L1713 VanDerWaalsContact C-N 3.32Å; D1711-L1713 PolarHBondContact O-N 3.31Å; D1711-L1714 PolarHBondContact O-N 2.86Å; D1711-S1715 PolarHBondContact O-N 3.36Å; D1711-H1897 IonicContact OD1-CE1 3.78Å; D1711-H1897 PolarHBondContact OD1-CE1 3.48Å; D1711-H1897 IonicContact OD1-ND1 3.92Å; D1711-H1897 IonicContact OD2-CE1 2.81Å
1712	D	90.4	Very high	91.3	Very high	81 Å²	81	45.6 Å²	45.6	43%	0.433	24%	0.242	S	C	.	.	H	α-helix	trans	-61.2	-43.3	177.3	-52.7	-44.6	0	0	0	110.5	V1708 Q1709 L1710 S1715 D1716	V1708-D1712 HydrophobicContact CG1-CB 4.49Å; Q1709-D1712 WeakPolarHBondContact CB-OD2 3.28Å; Q1709-D1712 PolarHBondContact N-OD2 2.82Å; Q1709-D1712 PolarHBondContact O-N 3.47Å; L1710-D1712 VanDerWaalsContact C-N 3.31Å; L1710-D1712 PolarHBondContact O-N 3.2Å; D1712-S1715 WeakPolarHBondContact O-CB 3.06Å; D1712-S1715 PolarHBondContact O-N 3.2Å; D1712-D1716 WeakPolarHBondContact O-CB 3.39Å; D1712-D1716 PolarHBondContact O-N 3.45Å
1713	L	92.4	Very high	91.4	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-68.7	-35	178.4	-60.5	178.2	0	0	0	112.7	A1635 I1637 F1660 V1704 V1708 L1710 D1711 S1715 Y1717 V1720	A1635-L1713 HydrophobicContact CB-CB 4.42Å; A1635-L1713 HydrophobicContact CB-CD2 4.3Å; I1637-L1713 HydrophobicContact CD1-CD1 3.76Å; I1637-L1713 HydrophobicContact CG1-CD1 4.27Å; F1660-L1713 HydrophobicContact CD2-CD2 4.48Å; F1660-L1713 HydrophobicContact CE1-CD2 4.12Å; F1660-L1713 HydrophobicContact CE2-CD2 3.75Å; F1660-L1713 HydrophobicContact CZ-CD2 3.54Å; V1704-L1713 HydrophobicContact CG1-CD1 4.04Å; V1704-L1713 HydrophobicContact CG2-CD1 3.88Å; V1708-L1713 HydrophobicContact CG1-CD1 4.39Å; V1708-L1713 HydrophobicContact CG1-CD2 3.97Å; V1708-L1713 HydrophobicContact CG1-CG 3.99Å; L1710-L1713 HydrophobicContact CD1-CD1 4.45Å; L1710-L1713 PolarHBondContact O-N 3.47Å; L1710-L1713 VanDerWaalsContact O-N 3.16Å; D1711-L1713 VanDerWaalsContact C-N 3.32Å; D1711-L1713 PolarHBondContact O-N 3.31Å; L1713-S1715 VanDerWaalsContact C-N 3.28Å; L1713-S1715 PolarHBondContact O-N 3.23Å; L1713-Y1717 HydrophobicContact CB-CD2 4.48Å; L1713-Y1717 HydrophobicContact CD2-CD2 4.17Å; L1713-Y1717 HydrophobicContact CD2-CE2 3.76Å; L1713-Y1717 WeakPolarHBondContact O-CB 3.35Å; L1713-Y1717 WeakPolarHBondContact O-CD2 3.44Å; L1713-Y1717 PolarHBondContact O-N 2.97Å; L1713-V1720 HydrophobicContact CB-CG2 4.33Å
1714	L	91.1	Very high	91.4	Very high	27 Å²	27	43.9 Å²	43.9	14%	0.141	24%	0.236	C	C	.	.	H	α-helix	trans	-71.9	-23.4	175.9	-72	168.4	0	0	0	112.9	L1710 D1711 V1720 K1923 I1924	L1710-L1714 HydrophobicContact CD2-CD1 4.19Å; L1710-L1714 HydrophobicContact CG-CD1 4.01Å; L1710-L1714 HydrophobicContact CG-CG 4.24Å; L1710-L1714 WeakPolarHBondContact O-CG 3.38Å; L1710-L1714 PolarHBondContact O-N 3.28Å; D1711-L1714 PolarHBondContact O-N 2.86Å; L1714-V1720 HydrophobicContact CD2-CB 4.48Å; L1714-V1720 HydrophobicContact CD2-CG2 3.8Å; L1714-V1720 HydrophobicContact CG-CG2 4.34Å; L1714-K1923 HydrophobicContact CD2-CB 3.98Å; L1714-K1923 HydrophobicContact CD2-CD 4.32Å; L1714-K1923 PolarHBondContact O-NZ 3.16Å; L1714-I1924 HydrophobicContact CD1-CD1 4.29Å; L1714-I1924 HydrophobicContact CD2-CD1 4.11Å; L1714-I1924 HydrophobicContact CD2-CG1 3.76Å
1715	S	91.5	Very high	91.5	Very high	92 Å²	92	44.1 Å²	44.1	64%	0.643	24%	0.241	S	C	*	.	H	α-helix	trans	-78.1	-52.3	171.2	173.6	0	0	0	0	111.7	D1711 D1712 L1713 Y1717	D1711-S1715 PolarHBondContact O-N 3.36Å; D1712-S1715 WeakPolarHBondContact O-CB 3.06Å; D1712-S1715 PolarHBondContact O-N 3.2Å; L1713-S1715 VanDerWaalsContact C-N 3.28Å; L1713-S1715 PolarHBondContact O-N 3.23Å; S1715-Y1717 PolarHBondContact O-N 3.21Å
1716	D	93.8	Very high	91.7	Very high	116 Å²	116	43 Å²	43	62%	0.62	23%	0.229	S	C	*	.	H	α-helix	trans	-81.1	-13	-167.3	-74.6	1.6	0	0	0	114.8	D1712	D1712-D1716 WeakPolarHBondContact O-CB 3.39Å; D1712-D1716 PolarHBondContact O-N 3.45Å
1717	Y	96.9	Very high	91.6	Very high	34 Å²	34	37.8 Å²	37.8	13%	0.133	21%	0.209	C	C	.	.	S	Bend	trans	-126.6	149.7	-175.9	-60.5	-97.5	0	0	0	112	K1633 A1635 V1658 F1660 L1713 S1715 K1923	K1633-Y1717 HydrophobicContact CB-CD1 3.86Å; K1633-Y1717 HydrophobicContact CB-CE1 4.39Å; A1635-Y1717 HydrophobicContact CB-CD1 3.85Å; A1635-Y1717 HydrophobicContact CB-CD2 3.77Å; A1635-Y1717 HydrophobicContact CB-CE1 4.17Å; A1635-Y1717 HydrophobicContact CB-CE2 4.12Å; A1635-Y1717 HydrophobicContact CB-CG 3.64Å; V1658-Y1717 HydrophobicContact CB-CE1 3.79Å; V1658-Y1717 HydrophobicContact CG2-CE1 3.7Å; F1660-Y1717 HydrophobicContact CZ-CE2 4.47Å; L1713-Y1717 HydrophobicContact CB-CD2 4.48Å; L1713-Y1717 HydrophobicContact CD2-CD2 4.17Å; L1713-Y1717 HydrophobicContact CD2-CE2 3.76Å; L1713-Y1717 WeakPolarHBondContact O-CB 3.35Å; L1713-Y1717 WeakPolarHBondContact O-CD2 3.44Å; L1713-Y1717 PolarHBondContact O-N 2.97Å; S1715-Y1717 PolarHBondContact O-N 3.21Å; Y1717-K1923 PolarHBondContact O-NZ 3.35Å
1718	D	96.4	Very high	91.4	Very high	48 Å²	48	37 Å²	37	26%	0.257	20%	0.203	S	C	.	.	S	Bend	trans	-67	-38.2	179.4	-64.7	-95.9	0	0	0	111.4	K1632 K1633 K1923 L1955	K1632-D1718 WeakPolarHBondContact CA-OD2 3.44Å; K1632-D1718 HydrophobicContact CD-CB 4.22Å; K1632-D1718 VanDerWaalsContact CD-CG 3.4Å; K1632-D1718 WeakPolarHBondContact CD-OD1 3.37Å; K1632-D1718 IonicContact NZ-OD1 3.66Å; K1632-D1718 PolarHBondContact NZ-OD1 2.68Å; K1633-D1718 PolarHBondContact N-OD2 2.89Å; K1633-D1718 PolarHBondContact O-N 3.24Å; D1718-K1923 WeakPolarHBondContact O-CE 3.41Å; D1718-L1955 HydrophobicContact CB-CD2 3.52Å
1719	A	96.6	Very high	91.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	164.6	174.9	0	0	0	0	0	111.6	V1634 A1635 K1923 I1951 L1955	V1634-A1719 WeakPolarHBondContact CA-O 3.23Å; V1634-A1719 HydrophobicContact CG2-CB 4.32Å; A1635-A1719 PolarHBondContact N-O 2.98Å; A1635-A1719 VanDerWaalsContact N-O 3.13Å; A1719-K1923 WeakPolarHBondContact CA-O 3.3Å; A1719-I1951 HydrophobicContact CB-CG2 4.22Å; A1719-L1955 HydrophobicContact CB-CD2 4.47Å
1720	V	96.6	Very high	91	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131.9	177.8	-176.5	0	0	0	0	110.5	A1635 I1637 L1710 L1713 L1714 L1722 K1923 I1924 F1925	A1635-V1720 HydrophobicContact CB-CG1 4.5Å; A1635-V1720 HydrophobicContact CB-CG2 4.35Å; A1635-V1720 CarbonylContact O-C 3.6Å; A1635-V1720 VanDerWaalsContact O-CA 3.29Å; A1635-V1720 WeakPolarHBondContact O-CA 3.34Å; I1637-V1720 HydrophobicContact CD1-CG1 3.8Å; I1637-V1720 HydrophobicContact CG1-CG1 4.04Å; L1710-V1720 HydrophobicContact CD1-CG1 4.12Å; L1713-V1720 HydrophobicContact CB-CG2 4.33Å; L1714-V1720 HydrophobicContact CD2-CB 4.48Å; L1714-V1720 HydrophobicContact CD2-CG2 3.8Å; L1714-V1720 HydrophobicContact CG-CG2 4.34Å; V1720-L1722 HydrophobicContact CG1-CD2 4.22Å; V1720-K1923 PolarHBondContact N-O 2.91Å; V1720-I1924 WeakPolarHBondContact O-CA 3.33Å; V1720-F1925 PolarHBondContact O-N 2.97Å
1721	F	97.5	Very high	90.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	133.9	172	178.6	-96.5	0	0	0	111.6	A1635 I1636 I1637 A1642 C1646 F1925 A1947 I1951	A1635-F1721 PolarHBondContact O-N 3.5Å; I1636-F1721 HydrophobicContact CG1-CB 4.28Å; I1636-F1721 HydrophobicContact CG2-CD1 4.07Å; I1637-F1721 PolarHBondContact N-O 3.36Å; A1642-F1721 HydrophobicContact CB-CE1 4.31Å; A1642-F1721 HydrophobicContact CB-CZ 4.21Å; C1646-F1721 HydrophobicContact CB-CD1 4.14Å; C1646-F1721 HydrophobicContact CB-CE1 4.24Å; C1646-F1721 HydrophobicContact CB-CG 4.35Å; F1721-F1925 CarbonylContact C-O 3.55Å; F1721-F1925 WeakPolarHBondContact CA-O 3.31Å; F1721-F1925 HydrophobicContact CD2-CB 4.03Å; F1721-A1947 HydrophobicContact CD2-CB 3.85Å; F1721-A1947 HydrophobicContact CE2-CB 3.37Å; F1721-A1947 HydrophobicContact CZ-CB 4.34Å; F1721-I1951 HydrophobicContact CB-CD1 4.03Å; F1721-I1951 HydrophobicContact CD2-CD1 4.26Å
1722	L	95	Very high	90.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	101.1	179.1	-56.8	178.2	0	0	0	110.8	I1637 V1720 W1893 L1894 I1907 I1924 F1925 A1926 G1927 I1930	I1637-L1722 HydrophobicContact CB-CD2 4.14Å; I1637-L1722 HydrophobicContact CD1-CD2 3.56Å; I1637-L1722 HydrophobicContact CG1-CD2 4.07Å; V1720-L1722 HydrophobicContact CG1-CD2 4.22Å; L1722-W1893 HydrophobicContact CD2-CH2 4.27Å; L1722-W1893 HydrophobicContact CD2-CZ3 4.44Å; L1722-L1894 HydrophobicContact CD1-CD2 3.67Å; L1722-I1907 HydrophobicContact CB-CD1 4.28Å; L1722-I1907 HydrophobicContact CD1-CD1 3.69Å; L1722-I1924 HydrophobicContact CD1-CG2 3.5Å; L1722-I1924 HydrophobicContact CG-CG2 3.86Å; L1722-F1925 PolarHBondContact N-O 3.21Å; L1722-A1926 HydrophobicContact CB-CB 4.02Å; L1722-A1926 WeakPolarHBondContact O-CA 3.48Å; L1722-G1927 PolarHBondContact O-N 2.83Å; L1722-I1930 WeakPolarHBondContact O-CG2 3.3Å
1723	G	93	Very high	89.7	Confident	10 Å²	10	38.9 Å²	38.9	10%	0.103	24%	0.238	C	C	.	.			trans	-111.9	32.6	175.2	0	0	0	0	0	113	I1637 G1725	I1637-G1723 CarbonylContact O-C 3.6Å; I1637-G1723 VanDerWaalsContact O-C 3.3Å; I1637-G1723 WeakPolarHBondContact O-CA 3.27Å; I1637-G1723 PolarHBondContact O-N 3.33Å; G1723-G1725 VanDerWaalsContact C-N 3.28Å; G1723-G1725 PolarHBondContact O-N 3.06Å
1724	V	89.6	Confident	89.5	Confident	28 Å²	28	39.9 Å²	39.9	17%	0.17	24%	0.243	C	C	.	.			trans	-71	-11.4	-166.7	-64.2	0	0	0	0	116	I1637 Y1727 M1891 I1930	I1637-V1724 HydrophobicContact CB-CG1 4.19Å; I1637-V1724 HydrophobicContact CG2-CG1 3.77Å; I1637-V1724 PolarHBondContact O-N 2.8Å; V1724-Y1727 WeakPolarHBondContact O-CE2 3.43Å; V1724-M1891 HydrophobicContact CG2-CE 3.83Å; V1724-M1891 HydrophobicContact CG2-SD 3.89Å; V1724-I1930 HydrophobicContact CG2-CB 4.02Å; V1724-I1930 HydrophobicContact CG2-CD1 4.06Å; V1724-I1930 HydrophobicContact CG2-CG1 3.7Å; V1724-I1930 HydrophobicContact CG2-CG2 4.37Å
1725	G	88.3	Confident	89.4	Confident	15 Å²	15	45.1 Å²	45.1	16%	0.155	27%	0.267	C	S	.	.			trans	69	-168	174.9	0	0	0	0	0	116	G1723	G1723-G1725 VanDerWaalsContact C-N 3.28Å; G1723-G1725 PolarHBondContact O-N 3.06Å
1726	T	87.3	Confident	89.3	Confident	3 Å²	3	44.1 Å²	44.1	2%	0.018	26%	0.255	C	S	.	.			trans	-125	113.9	179.6	56.6	0	0	0	0	111	P1888 D1929 S1934	T1726-P1888 HydrophobicContact CG2-CG 4.04Å; T1726-D1929 HydrophobicContact CG2-CB 4.04Å; T1726-D1929 WeakPolarHBondContact CG2-O 3.24Å; T1726-S1934 PolarHBondContact OG1-OG 2.94Å
1727	Y	83.5	Confident	89	Confident	43 Å²	43	39.3 Å²	39.3	17%	0.169	23%	0.228	C	C	.	.			trans	-115.8	-17.8	-175.7	-73.4	-102.7	0	0	0	114.3	H1663 L1669 V1724 S1729 L1746	H1663-Y1727 AromaticContact NE2-CD1 3.92Å; H1663-Y1727 AromaticContact NE2-CE1 2.76Å; H1663-Y1727 WeakPolarHBondContact NE2-CE1 3.34Å; H1663-Y1727 AromaticContact NE2-CE2 3.99Å; H1663-Y1727 AromaticContact NE2-CZ 2.82Å; H1663-Y1727 PolarHBondContact NE2-OH 3.43Å; L1669-Y1727 HydrophobicContact CD2-CD1 4.15Å; L1669-Y1727 HydrophobicContact CD2-CE1 3.45Å; L1669-Y1727 VanDerWaalsContact CD2-CE1 3.45Å; L1669-Y1727 HydrophobicContact CG-CE1 4.05Å; V1724-Y1727 WeakPolarHBondContact O-CE2 3.43Å; Y1727-S1729 PolarHBondContact O-N 3.08Å; Y1727-L1746 HydrophobicContact CD1-CD2 4.08Å
1728	Q	84.7	Confident	88.6	Confident	60 Å²	60	45 Å²	45	28%	0.28	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	120	-178.1	-168.1	177.2	31.5	0	0	109.9	F1886 R1887 H1889	Q1728-F1886 CarbonylContact O-C 3.54Å; Q1728-F1886 VanDerWaalsContact O-CA 3.26Å; Q1728-F1886 WeakPolarHBondContact O-CA 3.29Å; Q1728-R1887 HydrophobicContact CB-CG 3.99Å; Q1728-R1887 HydrophobicContact CG-CG 4.39Å; Q1728-R1887 PolarHBondContact N-O 3.24Å; Q1728-R1887 VanDerWaalsContact N-O 3.14Å; Q1728-R1887 PolarHBondContact O-N 2.92Å; Q1728-H1889 PolarHBondContact N-NE2 3.42Å
1729	S	85.2	Confident	88.2	Confident	23 Å²	23	43.5 Å²	43.5	16%	0.161	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	143.4	177.4	-63.8	0	0	0	0	111.7	Y1727	Y1727-S1729 PolarHBondContact O-N 3.08Å
1730	M	85	Confident	87.8	Confident	79 Å²	79	47.7 Å²	47.7	39%	0.389	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-83.5	132.8	173.6	-67.9	-161.3	-70.7	0	0	111.5	F1884 G1885	M1730-F1884 WeakPolarHBondContact CE-O 3.39Å; M1730-G1885 PolarHBondContact N-O 2.97Å
1731	H	80.7	Confident	87.6	Confident	119 Å²	119	47.8 Å²	47.8	55%	0.551	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-83.3	148.5	175.3	-72.8	-79	0	0	0	112	E1737	H1731-E1737 WeakPolarHBondContact CA-OE1 3.42Å; H1731-E1737 WeakPolarHBondContact CB-OE1 3.45Å; H1731-E1737 IonicContact CG-OE1 3.53Å; H1731-E1737 IonicContact ND1-OE1 3.88Å; H1731-E1737 PolarHBondContact ND1-OE1 3.36Å
1732	G	75.8	Confident	87.3	Confident	40 Å²	40	48.8 Å²	48.8	41%	0.412	29%	0.285	S	S	.	.			trans	-84.9	-24.7	-179.2	0	0	0	0	0	114.1	L1734 E1737	G1732-L1734 VanDerWaalsContact C-N 3.35Å; G1732-E1737 VanDerWaalsContact CA-OE2 3.27Å; G1732-E1737 WeakPolarHBondContact CA-OE2 3.48Å; G1732-E1737 VanDerWaalsContact N-CD 3.34Å; G1732-E1737 PolarHBondContact N-OE1 3.39Å; G1732-E1737 PolarHBondContact N-OE2 3.11Å
1733	G	83.1	Confident	87.3	Confident	76 Å²	76	51.2 Å²	51.2	78%	0.784	29%	0.294	S	S	*	.			trans	73.7	27.5	-168.7	0	0	0	0	0	112.6	E1737	G1733-E1737 PolarHBondContact N-OE2 3.06Å
1734	L	88.3	Confident	87.1	Confident	24 Å²	24	52.2 Å²	52.2	13%	0.126	30%	0.302	C	S	.	.			trans	-80.9	148.5	-176.8	-61.8	174.5	0	0	0	111.6	G1732 N1736 E1737 L1778 P1833 I1836 F1884	G1732-L1734 VanDerWaalsContact C-N 3.35Å; L1734-N1736 PolarHBondContact O-N 3.44Å; L1734-E1737 HydrophobicContact CB-CB 4.23Å; L1734-E1737 PolarHBondContact N-OE2 3.45Å; L1734-E1737 WeakPolarHBondContact O-CB 3.19Å; L1734-E1737 PolarHBondContact O-N 2.85Å; L1734-L1778 HydrophobicContact CD1-CD1 4.03Å; L1734-P1833 HydrophobicContact CD1-CB 3.96Å; L1734-P1833 HydrophobicContact CD1-CG 4.06Å; L1734-P1833 HydrophobicContact CD2-CB 4.06Å; L1734-P1833 HydrophobicContact CD2-CG 4.21Å; L1734-P1833 WeakPolarHBondContact CD2-O 3.36Å; L1734-I1836 HydrophobicContact CD1-CD1 4.3Å; L1734-F1884 HydrophobicContact CD1-CE2 4.42Å; L1734-F1884 HydrophobicContact CD1-CZ 4.33Å
1735	E	88	Confident	87.3	Confident	138 Å²	138	50.9 Å²	50.9	65%	0.645	29%	0.294	S	S	*	.	B	Isolated β-bridge	trans	-61.3	132.9	168.2	-169	175.8	-174.7	0	0	109.7	E1737 I1836	E1735-E1737 VanDerWaalsContact C-N 3.32Å; E1735-E1737 PolarHBondContact O-N 3.32Å; E1735-I1836 PolarHBondContact O-N 3.2Å
1736	N	90.3	Very high	87.3	Confident	71 Å²	71	50.6 Å²	50.6	38%	0.38	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	31.4	-175.1	-50.4	-48.7	0	0	0	115.3	L1734 D1738 A1739 I1836 V1838	L1734-N1736 PolarHBondContact O-N 3.44Å; N1736-D1738 PolarHBondContact O-N 3.01Å; N1736-A1739 HydrophobicContact CB-CB 4.28Å; N1736-A1739 VanDerWaalsContact O-CB 3.24Å; N1736-A1739 WeakPolarHBondContact O-CB 3.32Å; N1736-A1739 PolarHBondContact O-N 3.2Å; N1736-I1836 HydrophobicContact CB-CB 4.1Å; N1736-I1836 WeakPolarHBondContact CB-O 3.45Å; N1736-I1836 PolarHBondContact ND2-O 3.4Å; N1736-V1838 HydrophobicContact CB-CG1 4.04Å
1737	E	88.2	Confident	87.4	Confident	14 Å²	14	52.6 Å²	52.6	7%	0.065	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-30	177.7	-167.4	168.2	137.8	0	0	114	H1731 G1732 G1733 L1734 E1735 A1739 V1742 M1882	H1731-E1737 WeakPolarHBondContact CA-OE1 3.42Å; H1731-E1737 WeakPolarHBondContact CB-OE1 3.45Å; H1731-E1737 IonicContact CG-OE1 3.53Å; H1731-E1737 IonicContact ND1-OE1 3.88Å; H1731-E1737 PolarHBondContact ND1-OE1 3.36Å; G1732-E1737 VanDerWaalsContact CA-OE2 3.27Å; G1732-E1737 WeakPolarHBondContact CA-OE2 3.48Å; G1732-E1737 VanDerWaalsContact N-CD 3.34Å; G1732-E1737 PolarHBondContact N-OE1 3.39Å; G1732-E1737 PolarHBondContact N-OE2 3.11Å; G1733-E1737 PolarHBondContact N-OE2 3.06Å; L1734-E1737 HydrophobicContact CB-CB 4.23Å; L1734-E1737 PolarHBondContact N-OE2 3.45Å; L1734-E1737 WeakPolarHBondContact O-CB 3.19Å; L1734-E1737 PolarHBondContact O-N 2.85Å; E1735-E1737 VanDerWaalsContact C-N 3.32Å; E1735-E1737 PolarHBondContact O-N 3.32Å; E1737-A1739 VanDerWaalsContact C-N 3.34Å; E1737-A1739 PolarHBondContact O-N 3Å; E1737-V1742 WeakPolarHBondContact O-CB 3.21Å; E1737-V1742 VanDerWaalsContact O-CG1 3.3Å; E1737-V1742 WeakPolarHBondContact O-CG1 3.38Å; E1737-M1882 VanDerWaalsContact CD-SD 3.54Å; E1737-M1882 HydrophobicContact CG-CE 3.46Å; E1737-M1882 VanDerWaalsContact CG-CE 3.46Å; E1737-M1882 HydrophobicContact CG-SD 3.46Å; E1737-M1882 WeakPolarHBondContact CG-SD 3.45Å; E1737-M1882 WeakPolarHBondContact OE1-CE 3.5Å
1738	D	86.9	Confident	87.8	Confident	153 Å²	153	50.9 Å²	50.9	82%	0.818	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	14.2	179.9	-56.1	-47.9	0	0	0	113.9	N1736	N1736-D1738 PolarHBondContact O-N 3.01Å
1739	A	88.8	Confident	88.2	Confident	17 Å²	17	48.2 Å²	48.2	14%	0.14	28%	0.283	C	S	.	.	S	Bend	trans	-72.5	154.4	-175.5	0	0	0	0	0	114.1	N1736 E1737 G1741 V1742 V1838	N1736-A1739 HydrophobicContact CB-CB 4.28Å; N1736-A1739 VanDerWaalsContact O-CB 3.24Å; N1736-A1739 WeakPolarHBondContact O-CB 3.32Å; N1736-A1739 PolarHBondContact O-N 3.2Å; E1737-A1739 VanDerWaalsContact C-N 3.34Å; E1737-A1739 PolarHBondContact O-N 3Å; A1739-G1741 PolarHBondContact O-N 3Å; A1739-V1742 HydrophobicContact CB-CG2 4.16Å; A1739-V1742 PolarHBondContact O-N 3.16Å; A1739-V1838 HydrophobicContact CB-CG1 3.62Å
1740	D	89	Confident	88.5	Confident	89 Å²	89	47.2 Å²	47.2	48%	0.476	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-60.9	127.7	174.6	174	34.1	0	0	0	110.6	K1843 V1844	D1740-K1843 HydrophobicContact CB-CB 4.31Å; D1740-K1843 HydrophobicContact CB-CG 4.26Å; D1740-K1843 CarbonylContact O-C 3.57Å; D1740-K1843 WeakPolarHBondContact O-CA 3.49Å; D1740-K1843 WeakPolarHBondContact O-CG 3.21Å; D1740-K1843 IonicContact OD1-NZ 3.21Å; D1740-K1843 PolarHBondContact OD1-NZ 2.83Å; D1740-K1843 WeakPolarHBondContact OD2-CD 3.24Å; D1740-K1843 WeakPolarHBondContact OD2-CG 3.46Å; D1740-K1843 IonicContact OD2-NZ 2.95Å; D1740-K1843 PolarHBondContact OD2-NZ 2.84Å; D1740-V1844 PolarHBondContact O-N 3.49Å
1741	G	90.8	Very high	88.8	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.01	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.4	0.9	-173.5	0	0	0	0	0	115.1	A1739 Y1743 A1879 V1880	A1739-G1741 PolarHBondContact O-N 3Å; G1741-Y1743 WeakPolarHBondContact O-CD2 3.39Å; G1741-Y1743 VanDerWaalsContact O-CE2 3.31Å; G1741-Y1743 WeakPolarHBondContact O-CE2 3.48Å; G1741-A1879 CarbonylContact O-C 3.19Å; G1741-A1879 WeakPolarHBondContact O-CA 3.44Å; G1741-V1880 PolarHBondContact O-N 2.76Å
1742	V	93	Very high	89.3	Confident	21 Å²	21	38.1 Å²	38.1	13%	0.127	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	131.9	166.1	-168.8	0	0	0	0	109.6	E1737 A1739 I1836 V1880 M1882	E1737-V1742 WeakPolarHBondContact O-CB 3.21Å; E1737-V1742 VanDerWaalsContact O-CG1 3.3Å; E1737-V1742 WeakPolarHBondContact O-CG1 3.38Å; A1739-V1742 HydrophobicContact CB-CG2 4.16Å; A1739-V1742 PolarHBondContact O-N 3.16Å; V1742-I1836 HydrophobicContact CG2-CG1 4.29Å; V1742-I1836 HydrophobicContact CG2-CG2 3.92Å; V1742-V1880 CarbonylContact C-O 3.54Å; V1742-V1880 WeakPolarHBondContact CA-O 3.3Å; V1742-V1880 HydrophobicContact CG1-CB 4.39Å; V1742-V1880 HydrophobicContact CG1-CG1 4.37Å; V1742-V1880 HydrophobicContact CG2-CB 4.41Å; V1742-M1882 HydrophobicContact CG1-CE 3.97Å; V1742-M1882 HydrophobicContact CG1-CG 4.18Å; V1742-M1882 HydrophobicContact CG1-SD 4.26Å
1743	Y	93	Very high	90	Very high	52 Å²	52	36.3 Å²	36.3	20%	0.204	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	144.9	-174.4	-53.8	-73	0	0	0	111.6	G1741 V1768 M1770 A1879 V1880 I1881 M1882	G1741-Y1743 WeakPolarHBondContact O-CD2 3.39Å; G1741-Y1743 VanDerWaalsContact O-CE2 3.31Å; G1741-Y1743 WeakPolarHBondContact O-CE2 3.48Å; Y1743-V1768 HydrophobicContact CD1-CG1 4.42Å; Y1743-V1768 HydrophobicContact CD1-CG2 4Å; Y1743-V1768 HydrophobicContact CD2-CG1 4.37Å; Y1743-V1768 HydrophobicContact CE1-CB 4.43Å; Y1743-V1768 HydrophobicContact CE1-CG1 3.85Å; Y1743-V1768 HydrophobicContact CE1-CG2 3.73Å; Y1743-V1768 HydrophobicContact CE2-CG1 3.78Å; Y1743-V1768 VanDerWaalsContact CZ-CG1 3.49Å; Y1743-M1770 HydrophobicContact CD2-CE 3.94Å; Y1743-M1770 HydrophobicContact CE2-CE 4.14Å; Y1743-A1879 HydrophobicContact CD2-CB 4.43Å; Y1743-A1879 HydrophobicContact CE2-CB 4.02Å; Y1743-V1880 PolarHBondContact N-O 2.86Å; Y1743-I1881 CarbonylContact O-C 3.32Å; Y1743-I1881 WeakPolarHBondContact O-CA 3.24Å; Y1743-M1882 PolarHBondContact O-N 2.86Å
1744	A	90.7	Very high	90.2	Very high	31 Å²	31	33.9 Å²	33.9	26%	0.256	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	140.6	168.4	0	0	0	0	0	110.9	L1746 P1747 F1748	A1744-L1746 PolarHBondContact O-N 2.97Å; A1744-P1747 HydrophobicContact CB-CG 4.12Å; A1744-F1748 PolarHBondContact O-N 2.7Å
1745	A	92	Very high	90.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.8	-45	-174.7	0	0	0	0	0	114.4	F1748 L1749 T1783 C1787 I1881 M1882 A1883	A1745-F1748 PolarHBondContact O-N 2.81Å; A1745-L1749 WeakPolarHBondContact O-CG 3.3Å; A1745-L1749 PolarHBondContact O-N 2.71Å; A1745-T1783 HydrophobicContact CB-CG2 3.77Å; A1745-C1787 VanDerWaalsContact CB-SG 3.53Å; A1745-I1881 HydrophobicContact CB-CG2 4.04Å; A1745-M1882 WeakPolarHBondContact CB-O 3.42Å; A1745-M1882 PolarHBondContact N-O 2.98Å; A1745-A1883 HydrophobicContact CB-CB 3.91Å
1746	L	89.2	Confident	90.2	Very high	9 Å²	9	34.1 Å²	34.1	5%	0.047	19%	0.185	C	C	.	.	H	α-helix	trans	-70.3	-47.7	-173.2	-177.5	64.5	0	0	0	113.2	L1669 Y1727 A1744 F1748 L1749 I1750 F1886	L1669-L1746 HydrophobicContact CD1-CD1 4.17Å; L1669-L1746 HydrophobicContact CD1-CD2 4.3Å; L1669-L1746 HydrophobicContact CD2-CD1 3.82Å; L1669-L1746 HydrophobicContact CD2-CD2 4.44Å; Y1727-L1746 HydrophobicContact CD1-CD2 4.08Å; A1744-L1746 PolarHBondContact O-N 2.97Å; L1746-F1748 VanDerWaalsContact C-N 3.27Å; L1746-F1748 PolarHBondContact O-N 3.43Å; L1746-L1749 PolarHBondContact O-N 2.97Å; L1746-I1750 HydrophobicContact CD1-CD1 3.81Å; L1746-I1750 HydrophobicContact CD1-CG1 4Å; L1746-I1750 HydrophobicContact CD2-CD1 4.39Å; L1746-I1750 HydrophobicContact CG-CD1 3.73Å; L1746-I1750 HydrophobicContact CG-CG1 4.31Å; L1746-I1750 WeakPolarHBondContact O-CG1 3.47Å; L1746-I1750 PolarHBondContact O-N 3.34Å; L1746-F1886 HydrophobicContact CB-CD1 4.29Å; L1746-F1886 HydrophobicContact CB-CE1 3.4Å; L1746-F1886 VanDerWaalsContact CB-CE1 3.4Å; L1746-F1886 HydrophobicContact CB-CZ 3.74Å; L1746-F1886 HydrophobicContact CD2-CD1 4.16Å; L1746-F1886 HydrophobicContact CD2-CE1 4.02Å; L1746-F1886 HydrophobicContact CD2-CZ 4.48Å; L1746-F1886 HydrophobicContact CG-CE1 4.28Å
1747	P	89.2	Confident	90.1	Very high	44 Å²	44	33.7 Å²	33.7	29%	0.286	18%	0.181	S	C	.	.	H	α-helix	trans	-55.5	-39.9	171.5	-28.3	36.7	0	0	0	113.2	A1744 A1751 E1765	A1744-P1747 HydrophobicContact CB-CG 4.12Å; P1747-A1751 WeakPolarHBondContact O-CB 3.47Å; P1747-A1751 PolarHBondContact O-N 3.42Å; P1747-E1765 HydrophobicContact CB-CG 4.41Å
1748	F	92.6	Very high	90	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.035	21%	0.211	C	C	.	.	H	α-helix	trans	-61.1	-46.6	176.1	168.4	-106.5	0	0	0	112.6	A1744 A1745 L1746 N1752 V1768 M1770 C1787 T1790 I1881	A1744-F1748 PolarHBondContact O-N 2.7Å; A1745-F1748 PolarHBondContact O-N 2.81Å; L1746-F1748 VanDerWaalsContact C-N 3.27Å; L1746-F1748 PolarHBondContact O-N 3.43Å; F1748-N1752 WeakPolarHBondContact O-CB 3.3Å; F1748-N1752 PolarHBondContact O-N 3.24Å; F1748-N1752 VanDerWaalsContact O-N 3.09Å; F1748-V1768 HydrophobicContact CD2-CB 4.49Å; F1748-M1770 HydrophobicContact CD2-CE 3.72Å; F1748-M1770 HydrophobicContact CE2-CE 3.45Å; F1748-M1770 VanDerWaalsContact CE2-CE 3.45Å; F1748-M1770 HydrophobicContact CE2-CG 3.86Å; F1748-M1770 HydrophobicContact CZ-CE 4.14Å; F1748-M1770 HydrophobicContact CZ-CG 4.01Å; F1748-C1787 HydrophobicContact CE1-CB 4.47Å; F1748-T1790 HydrophobicContact CE1-CG2 3.82Å; F1748-T1790 HydrophobicContact CZ-CG2 3.74Å; F1748-I1881 HydrophobicContact CD1-CD1 3.91Å; F1748-I1881 HydrophobicContact CE1-CD1 3.81Å; F1748-I1881 HydrophobicContact CG-CD1 4.33Å; F1748-I1881 HydrophobicContact CZ-CD1 4.15Å
1749	L	93.3	Very high	89.7	Confident	4 Å²	4	32.3 Å²	32.3	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-68.3	-41	179.2	-68.2	173.7	0	0	0	112.4	P1675 A1745 L1746 T1753 T1783 D1786	P1675-L1749 HydrophobicContact CG-CD2 4.19Å; A1745-L1749 WeakPolarHBondContact O-CG 3.3Å; A1745-L1749 PolarHBondContact O-N 2.71Å; L1746-L1749 PolarHBondContact O-N 2.97Å; L1749-T1753 WeakPolarHBondContact O-CB 3.47Å; L1749-T1753 PolarHBondContact O-N 2.99Å; L1749-T1753 PolarHBondContact O-OG1 2.99Å; L1749-T1783 HydrophobicContact CD1-CG2 4.24Å; L1749-D1786 HydrophobicContact CD1-CB 4.02Å; L1749-D1786 HydrophobicContact CD2-CB 4.21Å
1750	I	90.7	Very high	88.8	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-65.8	-47.6	177.4	-66.6	174.7	0	0	0	110.8	L1669 F1672 L1746 N1752 T1753 K1754 E1765	L1669-I1750 HydrophobicContact CD2-CD1 4.09Å; F1672-I1750 HydrophobicContact CB-CG1 4.1Å; F1672-I1750 HydrophobicContact CB-CG2 4.22Å; F1672-I1750 WeakPolarHBondContact O-CA 3.39Å; L1746-I1750 HydrophobicContact CD1-CD1 3.81Å; L1746-I1750 HydrophobicContact CD1-CG1 4Å; L1746-I1750 HydrophobicContact CD2-CD1 4.39Å; L1746-I1750 HydrophobicContact CG-CD1 3.73Å; L1746-I1750 HydrophobicContact CG-CG1 4.31Å; L1746-I1750 WeakPolarHBondContact O-CG1 3.47Å; L1746-I1750 PolarHBondContact O-N 3.34Å; I1750-N1752 PolarHBondContact O-N 3Å; I1750-T1753 PolarHBondContact O-N 3.19Å; I1750-K1754 HydrophobicContact CG2-CD 4Å; I1750-K1754 HydrophobicContact CG2-CG 4.26Å; I1750-K1754 WeakPolarHBondContact O-CB 3.48Å; I1750-K1754 WeakPolarHBondContact O-CG 3.19Å; I1750-K1754 PolarHBondContact O-N 3.3Å; I1750-E1765 WeakPolarHBondContact CG2-OE2 3.02Å
1751	A	90.2	Very high	87.8	Confident	5 Å²	5	36.4 Å²	36.4	4%	0.041	22%	0.217	C	C	.	.	H	α-helix	trans	-61.2	-43.5	179	0	0	0	0	0	112	P1747 T1753 Q1755 E1765 P1766	P1747-A1751 WeakPolarHBondContact O-CB 3.47Å; P1747-A1751 PolarHBondContact O-N 3.42Å; A1751-T1753 PolarHBondContact O-N 3.4Å; A1751-Q1755 WeakPolarHBondContact O-CB 3.36Å; A1751-Q1755 PolarHBondContact O-N 3.44Å; A1751-E1765 HydrophobicContact CB-CB 4.44Å; A1751-E1765 WeakPolarHBondContact CB-O 3.28Å; A1751-P1766 WeakPolarHBondContact CB-O 3.46Å
1752	N	92	Very high	86.8	Confident	3 Å²	3	39.1 Å²	39.1	2%	0.016	23%	0.233	C	C	.	.	H	α-helix	trans	-59.1	-46.5	173.8	178	88.3	0	0	0	111.9	F1748 I1750 Q1755 L1756 F1767 T1790 Q1794	F1748-N1752 WeakPolarHBondContact O-CB 3.3Å; F1748-N1752 PolarHBondContact O-N 3.24Å; F1748-N1752 VanDerWaalsContact O-N 3.09Å; I1750-N1752 PolarHBondContact O-N 3Å; N1752-Q1755 PolarHBondContact O-N 3.5Å; N1752-L1756 WeakPolarHBondContact ND2-CD1 3.42Å; N1752-L1756 WeakPolarHBondContact O-CG 3.4Å; N1752-L1756 PolarHBondContact O-N 3.31Å; N1752-F1767 HydrophobicContact CB-CE2 4.34Å; N1752-T1790 HydrophobicContact CB-CG2 4.22Å; N1752-Q1794 PolarHBondContact OD1-NE2 3.39Å
1753	T	90.5	Very high	85.6	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.012	27%	0.27	C	S	.	.	H	α-helix	trans	-71.4	-38	-177.2	-53.4	0	0	0	0	112.1	T1671 F1672 L1749 I1750 A1751 Q1755 L1756 M1757	T1671-T1753 VanDerWaalsContact O-CG2 3.25Å; T1671-T1753 WeakPolarHBondContact O-CG2 3.18Å; F1672-T1753 WeakPolarHBondContact O-CB 3.3Å; F1672-T1753 PolarHBondContact O-OG1 3.49Å; L1749-T1753 WeakPolarHBondContact O-CB 3.47Å; L1749-T1753 PolarHBondContact O-N 2.99Å; L1749-T1753 PolarHBondContact O-OG1 2.99Å; I1750-T1753 PolarHBondContact O-N 3.19Å; A1751-T1753 PolarHBondContact O-N 3.4Å; T1753-Q1755 PolarHBondContact O-N 2.82Å; T1753-L1756 PolarHBondContact O-N 3.34Å; T1753-M1757 HydrophobicContact CG2-SD 4.16Å; T1753-M1757 WeakPolarHBondContact O-CB 3.12Å; T1753-M1757 WeakPolarHBondContact O-CG 3.5Å; T1753-M1757 PolarHBondContact O-N 3.23Å
1754	K	88.4	Confident	84.3	Confident	24 Å²	24	53.6 Å²	53.6	10%	0.104	30%	0.296	C	S	.	.	H	α-helix	trans	-57	-48.1	170.9	-82.7	179.8	171.9	175.9	0	111.6	F1672 I1750 L1756 M1757 G1758 F1759 T1762 E1765	F1672-K1754 HydrophobicContact CD1-CG 4.1Å; F1672-K1754 HydrophobicContact CE1-CG 4.34Å; I1750-K1754 HydrophobicContact CG2-CD 4Å; I1750-K1754 HydrophobicContact CG2-CG 4.26Å; I1750-K1754 WeakPolarHBondContact O-CB 3.48Å; I1750-K1754 WeakPolarHBondContact O-CG 3.19Å; I1750-K1754 PolarHBondContact O-N 3.3Å; K1754-L1756 PolarHBondContact O-N 3.24Å; K1754-M1757 CarbonylContact O-C 3.6Å; K1754-M1757 PolarHBondContact O-N 2.88Å; K1754-G1758 PolarHBondContact O-N 2.95Å; K1754-G1758 VanDerWaalsContact O-N 3.07Å; K1754-F1759 HydrophobicContact CB-CB 4Å; K1754-F1759 HydrophobicContact CG-CB 4.16Å; K1754-F1759 HydrophobicContact CG-CD2 4.49Å; K1754-F1759 PolarHBondContact O-N 2.99Å; K1754-T1762 PolarHBondContact NZ-OG1 3.12Å; K1754-E1765 WeakPolarHBondContact CE-OE2 3.32Å; K1754-E1765 IonicContact NZ-OE2 3.04Å; K1754-E1765 PolarHBondContact NZ-OE2 3.29Å
1755	Q	87.9	Confident	83.5	Confident	86 Å²	86	53.7 Å²	53.7	40%	0.402	29%	0.291	S	S	.	.	H	α-helix	trans	-60.5	-45.5	177.9	-170.2	-168.6	65	0	0	111.8	A1751 N1752 T1753 M1757 G1758 F1767	A1751-Q1755 WeakPolarHBondContact O-CB 3.36Å; A1751-Q1755 PolarHBondContact O-N 3.44Å; N1752-Q1755 PolarHBondContact O-N 3.5Å; T1753-Q1755 PolarHBondContact O-N 2.82Å; Q1755-M1757 VanDerWaalsContact C-N 3.27Å; Q1755-M1757 PolarHBondContact O-N 3.1Å; Q1755-G1758 PolarHBondContact O-N 3.11Å; Q1755-F1767 HydrophobicContact CB-CD2 4.11Å; Q1755-F1767 HydrophobicContact CG-CD2 4.44Å; Q1755-F1767 VanDerWaalsContact NE2-CG 3.26Å
1756	L	87.8	Confident	83	Confident	82 Å²	82	57 Å²	57	43%	0.429	31%	0.312	S	S	.	.	H	α-helix	trans	-62.3	-31.9	176.4	-71.1	170.4	0	0	0	113.2	F1513 N1752 T1753 K1754 G1758	F1513-L1756 HydrophobicContact CB-CD1 3.86Å; F1513-L1756 HydrophobicContact CB-CD2 4.33Å; F1513-L1756 HydrophobicContact CD1-CD1 3.54Å; F1513-L1756 HydrophobicContact CD2-CD1 4.02Å; F1513-L1756 HydrophobicContact CD2-CD2 3.97Å; F1513-L1756 HydrophobicContact CE1-CD1 4Å; F1513-L1756 HydrophobicContact CE2-CD1 4.42Å; F1513-L1756 HydrophobicContact CE2-CD2 4.5Å; F1513-L1756 HydrophobicContact CG-CD1 3.54Å; F1513-L1756 HydrophobicContact CG-CD2 4.18Å; F1513-L1756 HydrophobicContact CZ-CD1 4.41Å; N1752-L1756 WeakPolarHBondContact ND2-CD1 3.42Å; N1752-L1756 WeakPolarHBondContact O-CG 3.4Å; N1752-L1756 PolarHBondContact O-N 3.31Å; T1753-L1756 PolarHBondContact O-N 3.34Å; K1754-L1756 PolarHBondContact O-N 3.24Å; L1756-G1758 VanDerWaalsContact C-N 3.33Å
1757	M	88.4	Confident	82.9	Confident	61 Å²	61	58.8 Å²	58.8	30%	0.3	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-0	175.6	-67	-177.9	76.8	0	0	113.7	T1671 F1672 K1681 T1753 K1754 Q1755 F1759	T1671-M1757 HydrophobicContact CG2-CE 4.06Å; T1671-M1757 HydrophobicContact CG2-SD 4.07Å; F1672-M1757 HydrophobicContact CE1-SD 4.32Å; K1681-M1757 HydrophobicContact CB-CE 4.1Å; K1681-M1757 HydrophobicContact CB-SD 4.33Å; K1681-M1757 HydrophobicContact CG-CE 4.44Å; K1681-M1757 HydrophobicContact CG-CG 4.44Å; K1681-M1757 HydrophobicContact CG-SD 4.01Å; T1753-M1757 HydrophobicContact CG2-SD 4.16Å; T1753-M1757 WeakPolarHBondContact O-CB 3.12Å; T1753-M1757 WeakPolarHBondContact O-CG 3.5Å; T1753-M1757 PolarHBondContact O-N 3.23Å; K1754-M1757 CarbonylContact O-C 3.6Å; K1754-M1757 PolarHBondContact O-N 2.88Å; Q1755-M1757 VanDerWaalsContact C-N 3.27Å; Q1755-M1757 PolarHBondContact O-N 3.1Å; M1757-F1759 VanDerWaalsContact C-N 3.34Å; M1757-F1759 HydrophobicContact CB-CD2 3.67Å; M1757-F1759 HydrophobicContact CB-CE2 3.78Å; M1757-F1759 HydrophobicContact CE-CE2 3.94Å; M1757-F1759 HydrophobicContact SD-CE2 4.16Å
1758	G	85.4	Confident	82.8	Confident	68 Å²	68	57.7 Å²	57.7	70%	0.701	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	14	-179.3	0	0	0	0	0	115.2	K1754 Q1755 L1756	K1754-G1758 PolarHBondContact O-N 2.95Å; K1754-G1758 VanDerWaalsContact O-N 3.07Å; Q1755-G1758 PolarHBondContact O-N 3.11Å; L1756-G1758 VanDerWaalsContact C-N 3.33Å
1759	F	80.6	Confident	82.7	Confident	71 Å²	71	59.6 Å²	59.6	31%	0.311	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-78.6	137.3	170	-63.5	-65.9	0	0	0	110.4	P1664 E1665 F1672 K1754 M1757	P1664-F1759 HydrophobicContact CB-CE1 4.04Å; P1664-F1759 HydrophobicContact CB-CZ 4.23Å; P1664-F1759 HydrophobicContact CG-CD1 4.26Å; P1664-F1759 HydrophobicContact CG-CE1 3.77Å; P1664-F1759 HydrophobicContact CG-CE2 4.31Å; P1664-F1759 HydrophobicContact CG-CZ 3.8Å; E1665-F1759 HydrophobicContact CG-CZ 4.39Å; F1672-F1759 HydrophobicContact CE1-CD2 4.1Å; F1672-F1759 AromaticContact CE1-CE2 3.92Å; F1672-F1759 HydrophobicContact CE1-CE2 3.92Å; F1672-F1759 HydrophobicContact CZ-CE2 4.29Å; K1754-F1759 HydrophobicContact CB-CB 4Å; K1754-F1759 HydrophobicContact CG-CB 4.16Å; K1754-F1759 HydrophobicContact CG-CD2 4.49Å; K1754-F1759 PolarHBondContact O-N 2.99Å; M1757-F1759 VanDerWaalsContact C-N 3.34Å; M1757-F1759 HydrophobicContact CB-CD2 3.67Å; M1757-F1759 HydrophobicContact CB-CE2 3.78Å; M1757-F1759 HydrophobicContact CE-CE2 3.94Å; M1757-F1759 HydrophobicContact SD-CE2 4.16Å
1760	G	69.3	Low	82.8	Confident	61 Å²	61	59.4 Å²	59.4	63%	0.629	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-67	154.2	179.5	0	0	0	0	0	113.5
1761	E	69.4	Low	82.9	Confident	131 Å²	131	66.3 Å²	66.3	61%	0.612	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-63.3	137.2	177.8	-66	-177.6	-151.7	0	0	111.9	F1767	E1761-F1767 HydrophobicContact CG-CB 4.14Å; E1761-F1767 PolarHBondContact OE2-N 3.38Å
1762	T	68.6	Low	83.1	Confident	58 Å²	58	68.3 Å²	68.3	36%	0.356	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-107.9	145.4	175.6	40.3	0	0	0	0	110.3	K1754 D1764 E1765	K1754-T1762 PolarHBondContact NZ-OG1 3.12Å; T1762-D1764 PolarHBondContact O-N 2.91Å; T1762-E1765 CarbonylContact O-C 3.54Å; T1762-E1765 PolarHBondContact O-N 3.05Å
1763	R	68.2	Low	83.2	Confident	238 Å²	238	70.6 Å²	70.6	90%	0.898	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-34.1	-174.1	-174.3	178	-179.3	178.9	-0.9	113.9
1764	D	66.1	Low	83.6	Confident	139 Å²	139	74.7 Å²	74.7	74%	0.743	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-8.2	-175.9	-46.2	-55.4	0	0	0	113	T1762	T1762-D1764 PolarHBondContact O-N 2.91Å
1765	E	73.8	Confident	84	Confident	33 Å²	33	73.6 Å²	73.6	15%	0.154	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-141.5	62.9	-178.8	-60.8	174.7	158.8	0	0	110.3	P1747 I1750 A1751 K1754 T1762	P1747-E1765 HydrophobicContact CB-CG 4.41Å; I1750-E1765 WeakPolarHBondContact CG2-OE2 3.02Å; A1751-E1765 HydrophobicContact CB-CB 4.44Å; A1751-E1765 WeakPolarHBondContact CB-O 3.28Å; K1754-E1765 WeakPolarHBondContact CE-OE2 3.32Å; K1754-E1765 IonicContact NZ-OE2 3.04Å; K1754-E1765 PolarHBondContact NZ-OE2 3.29Å; T1762-E1765 CarbonylContact O-C 3.54Å; T1762-E1765 PolarHBondContact O-N 3.05Å
1766	P	81.1	Confident	84.4	Confident	69 Å²	69	69.5 Å²	69.5	45%	0.448	38%	0.38	S	S	.	.			trans	-67.4	147.1	179.1	29.2	-35.5	0	0	0	111.1	A1751	A1751-P1766 WeakPolarHBondContact CB-O 3.46Å
1767	F	88.2	Confident	84.9	Confident	46 Å²	46	65.6 Å²	65.6	20%	0.202	36%	0.36	C	S	.	.			trans	-72	134.2	175.4	178.4	-98.8	0	0	0	111	N1752 Q1755 E1761	N1752-F1767 HydrophobicContact CB-CE2 4.34Å; Q1755-F1767 HydrophobicContact CB-CD2 4.11Å; Q1755-F1767 HydrophobicContact CG-CD2 4.44Å; Q1755-F1767 VanDerWaalsContact NE2-CG 3.26Å; E1761-F1767 HydrophobicContact CG-CB 4.14Å; E1761-F1767 PolarHBondContact OE2-N 3.38Å
1768	V	86.9	Confident	85.2	Confident	21 Å²	21	62.7 Å²	62.7	13%	0.127	35%	0.345	C	S	.	.			trans	-122.4	108.4	179.7	-176.3	0	0	0	0	109.5	Y1743 F1748 M1770 Q1794	Y1743-V1768 HydrophobicContact CD1-CG1 4.42Å; Y1743-V1768 HydrophobicContact CD1-CG2 4Å; Y1743-V1768 HydrophobicContact CD2-CG1 4.37Å; Y1743-V1768 HydrophobicContact CE1-CB 4.43Å; Y1743-V1768 HydrophobicContact CE1-CG1 3.85Å; Y1743-V1768 HydrophobicContact CE1-CG2 3.73Å; Y1743-V1768 HydrophobicContact CE2-CG1 3.78Å; Y1743-V1768 VanDerWaalsContact CZ-CG1 3.49Å; F1748-V1768 HydrophobicContact CD2-CB 4.49Å; V1768-M1770 HydrophobicContact CB-CE 4.32Å; V1768-M1770 HydrophobicContact CG1-CE 3.68Å; V1768-Q1794 PolarHBondContact O-OE1 3.29Å
1769	S	90.6	Very high	85.4	Confident	49 Å²	49	59.9 Å²	59.9	34%	0.343	32%	0.316	S	S	.	.			trans	-69.4	132.8	170.5	176.6	0	0	0	0	111.1	E1771 K1773	S1769-E1771 WeakPolarHBondContact OG-CB 3.45Å; S1769-E1771 PolarHBondContact OG-N 3.43Å; S1769-E1771 VanDerWaalsContact OG-N 3.14Å; S1769-K1773 WeakPolarHBondContact O-CE 3.41Å; S1769-K1773 PolarHBondContact O-NZ 2.88Å
1770	M	94.5	Very high	85.7	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.31	C	S	.	.			trans	-95.1	2.4	170.6	-62.5	-63	164.8	0	0	113.6	Y1743 F1748 V1768 G1772 K1773 V1775 Q1794 A1796 A1879 I1881	Y1743-M1770 HydrophobicContact CD2-CE 3.94Å; Y1743-M1770 HydrophobicContact CE2-CE 4.14Å; F1748-M1770 HydrophobicContact CD2-CE 3.72Å; F1748-M1770 HydrophobicContact CE2-CE 3.45Å; F1748-M1770 VanDerWaalsContact CE2-CE 3.45Å; F1748-M1770 HydrophobicContact CE2-CG 3.86Å; F1748-M1770 HydrophobicContact CZ-CE 4.14Å; F1748-M1770 HydrophobicContact CZ-CG 4.01Å; V1768-M1770 HydrophobicContact CB-CE 4.32Å; V1768-M1770 HydrophobicContact CG1-CE 3.68Å; M1770-G1772 PolarHBondContact O-N 3.21Å; M1770-K1773 WeakPolarHBondContact O-CB 3.45Å; M1770-K1773 PolarHBondContact O-N 3.27Å; M1770-K1773 VanDerWaalsContact O-N 3.13Å; M1770-K1773 HydrophobicContact SD-CD 4.44Å; M1770-V1775 HydrophobicContact CB-CG2 4.03Å; M1770-V1775 HydrophobicContact CG-CG2 4.19Å; M1770-V1775 HydrophobicContact SD-CG1 4.4Å; M1770-V1775 HydrophobicContact SD-CG2 3.81Å; M1770-Q1794 HydrophobicContact CB-CB 4.16Å; M1770-A1796 HydrophobicContact CB-CB 4.22Å; M1770-A1796 VanDerWaalsContact O-CA 3.31Å; M1770-A1796 WeakPolarHBondContact O-CA 3.37Å; M1770-A1879 HydrophobicContact CE-CB 4.47Å; M1770-A1879 HydrophobicContact SD-CB 3.77Å; M1770-I1881 HydrophobicContact CE-CD1 3.94Å; M1770-I1881 HydrophobicContact CE-CG1 4.26Å
1771	E	93.9	Very high	86.6	Confident	145 Å²	145	54.9 Å²	54.9	68%	0.678	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	128.9	-175	-168.5	177.6	-175	0	0	112.4	S1769 K1773 Q1794	S1769-E1771 WeakPolarHBondContact OG-CB 3.45Å; S1769-E1771 PolarHBondContact OG-N 3.43Å; S1769-E1771 VanDerWaalsContact OG-N 3.14Å; E1771-K1773 PolarHBondContact O-N 3.35Å; E1771-K1773 VanDerWaalsContact O-N 3.07Å; E1771-Q1794 VanDerWaalsContact CA-O 3.29Å; E1771-Q1794 WeakPolarHBondContact CA-O 3.48Å; E1771-Q1794 WeakPolarHBondContact CB-O 3.24Å; E1771-Q1794 PolarHBondContact N-O 2.83Å
1772	G	93	Very high	87.5	Confident	47 Å²	47	50.3 Å²	50.3	49%	0.485	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	-6.7	178.3	0	0	0	0	0	116.3	M1770 G1795 K1797	M1770-G1772 PolarHBondContact O-N 3.21Å; G1772-G1795 PolarHBondContact N-O 3.5Å; G1772-K1797 VanDerWaalsContact O-CB 3.24Å; G1772-K1797 WeakPolarHBondContact O-CB 3.42Å
1773	K	95.5	Very high	88.5	Confident	52 Å²	52	49.7 Å²	49.7	23%	0.226	26%	0.26	C	S	.	.			trans	-83.9	153.1	-177.5	-62	-178.5	-171.6	166	0	112.9	S1769 M1770 E1771 V1775 K1797 H1798 D1878 A1879	S1769-K1773 WeakPolarHBondContact O-CE 3.41Å; S1769-K1773 PolarHBondContact O-NZ 2.88Å; M1770-K1773 WeakPolarHBondContact O-CB 3.45Å; M1770-K1773 PolarHBondContact O-N 3.27Å; M1770-K1773 VanDerWaalsContact O-N 3.13Å; M1770-K1773 HydrophobicContact SD-CD 4.44Å; E1771-K1773 PolarHBondContact O-N 3.35Å; E1771-K1773 VanDerWaalsContact O-N 3.07Å; K1773-V1775 HydrophobicContact CB-CG2 4.28Å; K1773-K1797 PolarHBondContact O-N 2.91Å; K1773-H1798 PolarHBondContact O-N 3.16Å; K1773-D1878 HydrophobicContact CB-CB 4.06Å; K1773-D1878 HydrophobicContact CG-CB 4.32Å; K1773-A1879 HydrophobicContact CD-CB 4.08Å
1774	R	97	Very high	89.7	Confident	87 Å²	87	38.3 Å²	38.3	33%	0.328	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	114.3	160.4	-60.3	168.3	-68.5	170.1	10.5	108.5	H1798 D1878 A1879	R1774-H1798 WeakPolarHBondContact CA-O 3.22Å; R1774-H1798 HydrophobicContact CG-CB 4.3Å; R1774-D1878 VanDerWaalsContact CB-OD2 3.23Å; R1774-D1878 WeakPolarHBondContact CB-OD2 3.31Å; R1774-D1878 VanDerWaalsContact CG-OD2 3.29Å; R1774-D1878 WeakPolarHBondContact CG-OD2 3.44Å; R1774-D1878 IonicContact CZ-OD1 3.49Å; R1774-D1878 IonicContact CZ-OD2 2.64Å; R1774-D1878 PolarHBondContact N-OD2 3.02Å; R1774-D1878 IonicContact NE-OD1 2.65Å; R1774-D1878 PolarHBondContact NE-OD1 3.36Å; R1774-D1878 IonicContact NE-OD2 3.03Å; R1774-D1878 PolarHBondContact NE-OD2 3.05Å; R1774-D1878 IonicContact NH2-OD1 3.55Å; R1774-D1878 PolarHBondContact NH2-OD1 2.79Å; R1774-D1878 IonicContact NH2-OD2 2.68Å; R1774-D1878 PolarHBondContact O-N 2.7Å; R1774-A1879 PolarHBondContact O-N 2.79Å
1775	V	97.7	Very high	91	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128.8	-175.5	-173.9	0	0	0	0	110.2	M1770 K1773 V1777 A1796 H1798 V1799 T1800 A1879 I1881	M1770-V1775 HydrophobicContact CB-CG2 4.03Å; M1770-V1775 HydrophobicContact CG-CG2 4.19Å; M1770-V1775 HydrophobicContact SD-CG1 4.4Å; M1770-V1775 HydrophobicContact SD-CG2 3.81Å; K1773-V1775 HydrophobicContact CB-CG2 4.28Å; V1775-V1777 HydrophobicContact CG1-CG2 4.24Å; V1775-A1796 HydrophobicContact CG2-CB 3.86Å; V1775-H1798 PolarHBondContact N-O 3.11Å; V1775-V1799 HydrophobicContact CB-CG1 4.49Å; V1775-V1799 HydrophobicContact CB-CG2 4.4Å; V1775-V1799 WeakPolarHBondContact O-CA 3.36Å; V1775-T1800 PolarHBondContact O-N 3.47Å; V1775-A1879 WeakPolarHBondContact CA-O 3.29Å; V1775-A1879 HydrophobicContact CG2-CB 4.44Å; V1775-I1881 HydrophobicContact CG1-CD1 3.85Å; V1775-I1881 HydrophobicContact CG1-CG1 4.06Å
1776	V	97.4	Very high	92	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	118.8	171.1	177	0	0	0	0	109.5	L1778 T1800 V1847 M1849 V1875 A1877 A1879 V1880 I1881	V1776-L1778 HydrophobicContact CG1-CD2 3.67Å; V1776-L1778 HydrophobicContact CG1-CG 4.4Å; V1776-T1800 CarbonylContact C-O 3.5Å; V1776-T1800 WeakPolarHBondContact CA-O 3.25Å; V1776-V1847 HydrophobicContact CB-CG2 4.32Å; V1776-V1847 HydrophobicContact CG1-CG2 4.11Å; V1776-M1849 HydrophobicContact CG1-CE 3.72Å; V1776-V1875 HydrophobicContact CG2-CG1 3.9Å; V1776-A1877 HydrophobicContact CB-CB 4.17Å; V1776-A1877 HydrophobicContact CG2-CB 3.65Å; V1776-A1879 PolarHBondContact N-O 3.14Å; V1776-V1880 HydrophobicContact CB-CG2 4.47Å; V1776-V1880 CarbonylContact O-C 3.43Å; V1776-V1880 VanDerWaalsContact O-CA 3.26Å; V1776-V1880 WeakPolarHBondContact O-CA 3.35Å; V1776-I1881 PolarHBondContact O-N 3.04Å
1777	V	96.6	Very high	92.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.2	174.9	-177.1	0	0	0	0	108.9	V1775 A1784 C1787 V1788 T1800 A1802 I1881 A1883	V1775-V1777 HydrophobicContact CG1-CG2 4.24Å; V1777-A1784 HydrophobicContact CG1-CB 4.07Å; V1777-C1787 HydrophobicContact CG1-CB 4.1Å; V1777-C1787 HydrophobicContact CG2-CB 4.17Å; V1777-V1788 HydrophobicContact CB-CG1 3.68Å; V1777-V1788 HydrophobicContact CG1-CG1 4.31Å; V1777-V1788 HydrophobicContact CG2-CB 4.48Å; V1777-V1788 HydrophobicContact CG2-CG1 3.37Å; V1777-T1800 PolarHBondContact N-O 3.46Å; V1777-A1802 PolarHBondContact O-N 3.15Å; V1777-I1881 CarbonylContact C-O 3.59Å; V1777-I1881 WeakPolarHBondContact CA-O 3.46Å; V1777-I1881 HydrophobicContact CG2-CB 4.12Å; V1777-I1881 HydrophobicContact CG2-CD1 4.19Å; V1777-I1881 HydrophobicContact CG2-CG1 4.41Å; V1777-A1883 HydrophobicContact CG1-CB 4.12Å
1778	L	94.6	Very high	93.1	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	114.8	-178.8	-57.6	-179.5	0	0	0	109.7	L1734 V1776 A1802 P1833 I1836 V1847 M1849 V1880 I1881 A1883 F1884	L1734-L1778 HydrophobicContact CD1-CD1 4.03Å; V1776-L1778 HydrophobicContact CG1-CD2 3.67Å; V1776-L1778 HydrophobicContact CG1-CG 4.4Å; L1778-A1802 HydrophobicContact CD2-CB 4.09Å; L1778-P1833 HydrophobicContact CD1-CB 4.06Å; L1778-P1833 HydrophobicContact CD1-CG 4.15Å; L1778-P1833 HydrophobicContact CD2-CB 4.24Å; L1778-P1833 HydrophobicContact CD2-CG 4.31Å; L1778-I1836 HydrophobicContact CD1-CD1 4.14Å; L1778-V1847 HydrophobicContact CD1-CG1 4.33Å; L1778-V1847 HydrophobicContact CD2-CG1 4.14Å; L1778-M1849 HydrophobicContact CD2-CE 3.89Å; L1778-V1880 HydrophobicContact CD1-CG1 3.59Å; L1778-V1880 HydrophobicContact CG-CG1 3.87Å; L1778-I1881 PolarHBondContact N-O 2.82Å; L1778-A1883 CarbonylContact O-C 3.55Å; L1778-A1883 WeakPolarHBondContact O-CA 3.18Å; L1778-A1883 PolarHBondContact O-N 3.27Å; L1778-F1884 HydrophobicContact CB-CE1 3.73Å; L1778-F1884 HydrophobicContact CB-CZ 3.7Å; L1778-F1884 HydrophobicContact CD1-CZ 4.33Å
1779	G	90.9	Very high	93.5	Very high	9 Å²	9	24 Å²	24	9%	0.093	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	130.4	-175.4	-176.3	0	0	0	0	0	112.8	A1802	G1779-A1802 PolarHBondContact N-O 2.97Å
1780	G	86.5	Confident	93.8	Very high	17 Å²	17	21.7 Å²	21.7	18%	0.175	12%	0.124	C	C	.	.			trans	-157.7	164.8	-179.4	0	0	0	0	0	109.9
1781	G	88.1	Confident	93.9	Very high	9 Å²	9	21.7 Å²	21.7	9%	0.093	12%	0.124	C	C	.	.	S	Bend	trans	105.2	173.1	-164.8	0	0	0	0	0	111.9	T1783 A1784 M1785	G1781-T1783 VanDerWaalsContact C-N 3.3Å; G1781-T1783 PolarHBondContact O-N 3.03Å; G1781-A1784 WeakPolarHBondContact O-CB 3.29Å; G1781-A1784 PolarHBondContact O-N 2.83Å; G1781-M1785 PolarHBondContact O-N 3.04Å
1782	D	87.6	Confident	94	Very high	36 Å²	36	15.4 Å²	15.4	19%	0.193	10%	0.095	C	C	.	.	H	α-helix	trans	-64.3	-33	-171.7	-63.6	-46.3	0	0	0	113	A1784 M1785 D1786 G1812 S1813	D1782-A1784 VanDerWaalsContact C-N 3.32Å; D1782-A1784 PolarHBondContact O-N 3.45Å; D1782-M1785 WeakPolarHBondContact O-CB 3.46Å; D1782-M1785 PolarHBondContact O-N 2.68Å; D1782-M1785 VanDerWaalsContact O-N 3.12Å; D1782-D1786 WeakPolarHBondContact O-CB 3.23Å; D1782-D1786 PolarHBondContact O-N 2.88Å; D1782-G1812 WeakPolarHBondContact OD1-CA 3.24Å; D1782-S1813 PolarHBondContact OD1-N 3.01Å
1783	T	90.3	Very high	94.1	Very high	44 Å²	44	13.9 Å²	13.9	27%	0.27	8%	0.075	S	C	.	.	H	α-helix	trans	-57.4	-42.4	171.7	-50.7	0	0	0	0	112.4	A1745 L1749 G1781 M1785 D1786 C1787 A1883 F1886	A1745-T1783 HydrophobicContact CB-CG2 3.77Å; L1749-T1783 HydrophobicContact CD1-CG2 4.24Å; G1781-T1783 VanDerWaalsContact C-N 3.3Å; G1781-T1783 PolarHBondContact O-N 3.03Å; T1783-M1785 VanDerWaalsContact C-N 3.33Å; T1783-D1786 PolarHBondContact O-N 2.89Å; T1783-C1787 PolarHBondContact O-N 3.19Å; T1783-C1787 PolarHBondContact O-SG 3.03Å; T1783-A1883 HydrophobicContact CG2-CB 4.4Å; T1783-F1886 HydrophobicContact CG2-CE2 4.09Å; T1783-F1886 HydrophobicContact CG2-CZ 3.8Å
1784	A	93.3	Very high	94	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-67.5	-36.9	177.8	0	0	0	0	0	111.2	V1777 G1781 D1782 C1787 V1788 A1883	V1777-A1784 HydrophobicContact CG1-CB 4.07Å; G1781-A1784 WeakPolarHBondContact O-CB 3.29Å; G1781-A1784 PolarHBondContact O-N 2.83Å; D1782-A1784 VanDerWaalsContact C-N 3.32Å; D1782-A1784 PolarHBondContact O-N 3.45Å; A1784-C1787 PolarHBondContact O-N 2.89Å; A1784-V1788 WeakPolarHBondContact O-CG2 3.42Å; A1784-V1788 PolarHBondContact O-N 3.47Å; A1784-A1883 HydrophobicContact CB-CB 3.93Å
1785	M	94.1	Very high	93.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.2	-42.2	175.1	-63.6	-57.4	95	0	0	111.4	G1781 D1782 T1783 C1787 V1788 R1789 C1801 M1810 E1816 V1817 A1820 F1827	G1781-M1785 PolarHBondContact O-N 3.04Å; D1782-M1785 WeakPolarHBondContact O-CB 3.46Å; D1782-M1785 PolarHBondContact O-N 2.68Å; D1782-M1785 VanDerWaalsContact O-N 3.12Å; T1783-M1785 VanDerWaalsContact C-N 3.33Å; M1785-C1787 VanDerWaalsContact C-N 3.35Å; M1785-C1787 PolarHBondContact O-N 3.49Å; M1785-V1788 HydrophobicContact CE-CG2 4.26Å; M1785-V1788 VanDerWaalsContact O-CG2 3.27Å; M1785-V1788 WeakPolarHBondContact O-CG2 3.32Å; M1785-V1788 PolarHBondContact O-N 3.09Å; M1785-R1789 VanDerWaalsContact O-CB 3.27Å; M1785-R1789 WeakPolarHBondContact O-CB 3.21Å; M1785-R1789 WeakPolarHBondContact O-CG 3.41Å; M1785-R1789 PolarHBondContact O-N 2.93Å; M1785-C1801 HydrophobicContact CE-CB 4.33Å; M1785-C1801 VanDerWaalsContact CE-SG 3.58Å; M1785-M1810 HydrophobicContact CE-SD 4.37Å; M1785-E1816 HydrophobicContact CB-CB 4.18Å; M1785-E1816 HydrophobicContact CG-CB 4.17Å; M1785-V1817 HydrophobicContact CG-CG2 4.39Å; M1785-V1817 HydrophobicContact SD-CB 4.37Å; M1785-V1817 HydrophobicContact SD-CG2 3.8Å; M1785-A1820 HydrophobicContact SD-CB 4.22Å; M1785-F1827 HydrophobicContact CE-CE1 3.54Å; M1785-F1827 HydrophobicContact CE-CZ 3.87Å; M1785-F1827 HydrophobicContact SD-CE1 3.83Å; M1785-F1827 HydrophobicContact SD-CZ 3.68Å
1786	D	94.6	Very high	93.7	Very high	8 Å²	8	11 Å²	11	4%	0.043	8%	0.079	C	C	.	.	H	α-helix	trans	-65	-40	178.1	-69.6	-8.1	0	0	0	111	P1675 K1678 L1749 D1782 T1783 T1790	P1675-D1786 VanDerWaalsContact CD-CG 3.42Å; P1675-D1786 WeakPolarHBondContact CD-OD2 3.42Å; P1675-D1786 HydrophobicContact CG-CB 3.7Å; K1678-D1786 WeakPolarHBondContact CD-OD1 3.49Å; K1678-D1786 WeakPolarHBondContact CE-OD1 2.99Å; K1678-D1786 IonicContact NZ-OD1 2.82Å; K1678-D1786 PolarHBondContact NZ-OD1 3.45Å; K1678-D1786 IonicContact NZ-OD2 3.74Å; K1678-D1786 PolarHBondContact NZ-OD2 3.01Å; L1749-D1786 HydrophobicContact CD1-CB 4.02Å; L1749-D1786 HydrophobicContact CD2-CB 4.21Å; D1782-D1786 WeakPolarHBondContact O-CB 3.23Å; D1782-D1786 PolarHBondContact O-N 2.88Å; T1783-D1786 PolarHBondContact O-N 2.89Å; D1786-T1790 WeakPolarHBondContact O-CB 3.37Å; D1786-T1790 PolarHBondContact O-N 2.88Å; D1786-T1790 PolarHBondContact O-OG1 2.88Å
1787	C	95.7	Very high	93.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.1	-55.9	172.2	-68.2	0	0	0	0	112.4	A1745 F1748 V1777 T1783 A1784 M1785 R1789 T1790 S1791 I1881	A1745-C1787 VanDerWaalsContact CB-SG 3.53Å; F1748-C1787 HydrophobicContact CE1-CB 4.47Å; V1777-C1787 HydrophobicContact CG1-CB 4.1Å; V1777-C1787 HydrophobicContact CG2-CB 4.17Å; T1783-C1787 PolarHBondContact O-N 3.19Å; T1783-C1787 PolarHBondContact O-SG 3.03Å; A1784-C1787 PolarHBondContact O-N 2.89Å; M1785-C1787 VanDerWaalsContact C-N 3.35Å; M1785-C1787 PolarHBondContact O-N 3.49Å; C1787-R1789 VanDerWaalsContact C-N 3.34Å; C1787-R1789 PolarHBondContact O-N 3.49Å; C1787-T1790 PolarHBondContact O-N 2.8Å; C1787-S1791 PolarHBondContact O-N 2.81Å; C1787-S1791 PolarHBondContact O-OG 3.36Å; C1787-S1791 VanDerWaalsContact O-OG 3.09Å; C1787-I1881 HydrophobicContact CB-CD1 4.34Å; C1787-I1881 HydrophobicContact CB-CG2 4.33Å
1788	V	96.3	Very high	93.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.7	-41.1	-176.5	-65.2	0	0	0	0	112.3	V1777 A1784 M1785 T1790 S1791 V1792 V1799 C1801 A1820 V1825	V1777-V1788 HydrophobicContact CB-CG1 3.68Å; V1777-V1788 HydrophobicContact CG1-CG1 4.31Å; V1777-V1788 HydrophobicContact CG2-CB 4.48Å; V1777-V1788 HydrophobicContact CG2-CG1 3.37Å; A1784-V1788 WeakPolarHBondContact O-CG2 3.42Å; A1784-V1788 PolarHBondContact O-N 3.47Å; M1785-V1788 HydrophobicContact CE-CG2 4.26Å; M1785-V1788 VanDerWaalsContact O-CG2 3.27Å; M1785-V1788 WeakPolarHBondContact O-CG2 3.32Å; M1785-V1788 PolarHBondContact O-N 3.09Å; V1788-T1790 VanDerWaalsContact C-N 3.33Å; V1788-T1790 PolarHBondContact O-N 3.49Å; V1788-S1791 PolarHBondContact O-N 3.27Å; V1788-V1792 WeakPolarHBondContact O-CG2 3.2Å; V1788-V1792 PolarHBondContact O-N 3.37Å; V1788-V1799 HydrophobicContact CB-CG1 3.6Å; V1788-V1799 HydrophobicContact CG1-CG1 3.63Å; V1788-C1801 HydrophobicContact CG1-CB 4.08Å; V1788-A1820 HydrophobicContact CG2-CB 4.13Å; V1788-V1825 HydrophobicContact CB-CG1 3.93Å; V1788-V1825 HydrophobicContact CB-CG2 3.88Å; V1788-V1825 HydrophobicContact CG1-CG1 4.08Å; V1788-V1825 HydrophobicContact CG2-CG1 4.01Å; V1788-V1825 HydrophobicContact CG2-CG2 3.95Å
1789	R	96	Very high	93.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-70.8	-28.8	179.7	-67.6	-175.4	72.6	-150.7	-3	112.5	F1677 M1785 C1787 R1793 E1816 A1820 E1823	F1677-R1789 HydrophobicContact CE1-CB 4.31Å; F1677-R1789 HydrophobicContact CE2-CB 3.68Å; F1677-R1789 HydrophobicContact CZ-CB 3.44Å; F1677-R1789 VanDerWaalsContact CZ-CB 3.44Å; M1785-R1789 VanDerWaalsContact O-CB 3.27Å; M1785-R1789 WeakPolarHBondContact O-CB 3.21Å; M1785-R1789 WeakPolarHBondContact O-CG 3.41Å; M1785-R1789 PolarHBondContact O-N 2.93Å; C1787-R1789 VanDerWaalsContact C-N 3.34Å; C1787-R1789 PolarHBondContact O-N 3.49Å; R1789-R1793 WeakPolarHBondContact O-CG 3.47Å; R1789-R1793 PolarHBondContact O-N 3.1Å; R1789-R1793 PolarHBondContact O-NH1 3.37Å; R1789-E1816 IonicContact CZ-OE2 2.65Å; R1789-E1816 IonicContact NH1-OE1 3.37Å; R1789-E1816 PolarHBondContact NH1-OE1 3.42Å; R1789-E1816 VanDerWaalsContact NH1-OE1 3.07Å; R1789-E1816 IonicContact NH1-OE2 2.75Å; R1789-E1816 PolarHBondContact NH1-OE2 3.05Å; R1789-A1820 HydrophobicContact CG-CB 3.8Å; R1789-E1823 WeakPolarHBondContact CG-OE2 3.45Å; R1789-E1823 IonicContact CZ-OE1 2.8Å; R1789-E1823 IonicContact CZ-OE2 3.2Å; R1789-E1823 IonicContact NE-OE1 3.6Å; R1789-E1823 IonicContact NE-OE2 2.66Å; R1789-E1823 PolarHBondContact NE-OE2 3.16Å; R1789-E1823 IonicContact NH2-OE1 3.44Å; R1789-E1823 PolarHBondContact NH2-OE1 3.27Å; R1789-E1823 IonicContact NH2-OE2 3.71Å
1790	T	96.2	Very high	93.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-70.9	-46	169.5	-61.6	0	0	0	0	111.1	F1513 F1748 N1752 D1786 C1787 V1788 V1792 R1793 Q1794	F1513-T1790 HydrophobicContact CE1-CG2 4.04Å; F1513-T1790 HydrophobicContact CZ-CG2 4.2Å; F1748-T1790 HydrophobicContact CE1-CG2 3.82Å; F1748-T1790 HydrophobicContact CZ-CG2 3.74Å; N1752-T1790 HydrophobicContact CB-CG2 4.22Å; D1786-T1790 WeakPolarHBondContact O-CB 3.37Å; D1786-T1790 PolarHBondContact O-N 2.88Å; D1786-T1790 PolarHBondContact O-OG1 2.88Å; C1787-T1790 PolarHBondContact O-N 2.8Å; V1788-T1790 VanDerWaalsContact C-N 3.33Å; V1788-T1790 PolarHBondContact O-N 3.49Å; T1790-V1792 VanDerWaalsContact C-N 3.32Å; T1790-V1792 PolarHBondContact O-N 2.97Å; T1790-R1793 PolarHBondContact O-N 2.86Å; T1790-R1793 VanDerWaalsContact O-N 3.1Å; T1790-Q1794 HydrophobicContact CG2-CG 4.45Å; T1790-Q1794 WeakPolarHBondContact O-CG 3.46Å; T1790-Q1794 PolarHBondContact O-N 2.82Å
1791	S	96.3	Very high	94.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.5	-39.9	176.9	-56.1	0	0	0	0	112.6	C1787 V1788 R1793 Q1794 G1795 A1796	C1787-S1791 PolarHBondContact O-N 2.81Å; C1787-S1791 PolarHBondContact O-OG 3.36Å; C1787-S1791 VanDerWaalsContact O-OG 3.09Å; V1788-S1791 PolarHBondContact O-N 3.27Å; S1791-R1793 PolarHBondContact O-N 3.46Å; S1791-Q1794 PolarHBondContact O-N 3.37Å; S1791-G1795 PolarHBondContact O-N 3.16Å; S1791-A1796 WeakPolarHBondContact O-CB 3.41Å; S1791-A1796 PolarHBondContact O-N 2.84Å
1792	V	95.9	Very high	94.7	Very high	13 Å²	13	21.4 Å²	21.4	8%	0.079	12%	0.116	C	C	.	.	H	α-helix	trans	-59.3	-45.2	173.6	171	0	0	0	0	111.4	K1510 V1788 T1790 G1795 V1799 E1823 V1825	K1510-V1792 HydrophobicContact CB-CG1 4.4Å; K1510-V1792 HydrophobicContact CG-CG1 4.17Å; V1788-V1792 WeakPolarHBondContact O-CG2 3.2Å; V1788-V1792 PolarHBondContact O-N 3.37Å; T1790-V1792 VanDerWaalsContact C-N 3.32Å; T1790-V1792 PolarHBondContact O-N 2.97Å; V1792-G1795 PolarHBondContact O-N 3.42Å; V1792-G1795 VanDerWaalsContact O-N 3.1Å; V1792-V1799 HydrophobicContact CG2-CB 4.22Å; V1792-V1799 HydrophobicContact CG2-CG2 3.82Å; V1792-E1823 HydrophobicContact CG1-CB 4.49Å; V1792-V1825 HydrophobicContact CG2-CG2 3.78Å
1793	R	94.8	Very high	95	Very high	15 Å²	15	20.5 Å²	20.5	6%	0.057	11%	0.11	C	C	.	.	H	α-helix	trans	-70.3	-29.1	179.8	-73.2	168	177	69.7	2.4	113.7	R1509 K1510 E1512 F1513 F1677 R1789 T1790 S1791 G1795 E1823	R1509-R1793 PolarHBondContact O-NE 2.93Å; R1509-R1793 VanDerWaalsContact O-NE 3.15Å; R1509-R1793 PolarHBondContact O-NH2 3.26Å; K1510-R1793 WeakPolarHBondContact O-CA 3.46Å; E1512-R1793 PolarHBondContact O-NE 3.34Å; F1513-R1793 HydrophobicContact CD2-CB 4.25Å; F1513-R1793 HydrophobicContact CE1-CB 4.03Å; F1513-R1793 HydrophobicContact CE2-CB 3.57Å; F1513-R1793 HydrophobicContact CZ-CB 3.45Å; F1513-R1793 VanDerWaalsContact CZ-CB 3.45Å; F1513-R1793 HydrophobicContact CZ-CG 4.47Å; F1677-R1793 VanDerWaalsContact CD1-NE 3.28Å; R1789-R1793 WeakPolarHBondContact O-CG 3.47Å; R1789-R1793 PolarHBondContact O-N 3.1Å; R1789-R1793 PolarHBondContact O-NH1 3.37Å; T1790-R1793 PolarHBondContact O-N 2.86Å; T1790-R1793 VanDerWaalsContact O-N 3.1Å; S1791-R1793 PolarHBondContact O-N 3.46Å; R1793-G1795 PolarHBondContact O-N 3.1Å; R1793-E1823 IonicContact CZ-OE1 2.69Å; R1793-E1823 IonicContact CZ-OE2 2.92Å; R1793-E1823 IonicContact NH1-OE1 3.23Å; R1793-E1823 IonicContact NH1-OE2 3.69Å; R1793-E1823 PolarHBondContact NH1-OE2 3.06Å; R1793-E1823 IonicContact NH2-OE1 2.9Å; R1793-E1823 PolarHBondContact NH2-OE1 2.97Å; R1793-E1823 IonicContact NH2-OE2 3.7Å
1794	Q	94.2	Very high	95.1	Very high	23 Å²	23	24.5 Å²	24.5	11%	0.107	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	6.7	169.4	-69	-174.8	-4.6	0	0	113.8	F1513 N1752 V1768 M1770 E1771 T1790 S1791	F1513-Q1794 HydrophobicContact CZ-CG 4.32Å; N1752-Q1794 PolarHBondContact OD1-NE2 3.39Å; V1768-Q1794 PolarHBondContact O-OE1 3.29Å; M1770-Q1794 HydrophobicContact CB-CB 4.16Å; E1771-Q1794 VanDerWaalsContact CA-O 3.29Å; E1771-Q1794 WeakPolarHBondContact CA-O 3.48Å; E1771-Q1794 WeakPolarHBondContact CB-O 3.24Å; E1771-Q1794 PolarHBondContact N-O 2.83Å; T1790-Q1794 HydrophobicContact CG2-CG 4.45Å; T1790-Q1794 WeakPolarHBondContact O-CG 3.46Å; T1790-Q1794 PolarHBondContact O-N 2.82Å; S1791-Q1794 PolarHBondContact O-N 3.37Å
1795	G	92.9	Very high	94.9	Very high	38 Å²	38	26.1 Å²	26.1	39%	0.392	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	26.1	176.1	0	0	0	0	0	115	G1772 S1791 V1792 R1793 K1797	G1772-G1795 PolarHBondContact N-O 3.5Å; S1791-G1795 PolarHBondContact O-N 3.16Å; V1792-G1795 PolarHBondContact O-N 3.42Å; V1792-G1795 VanDerWaalsContact O-N 3.1Å; R1793-G1795 PolarHBondContact O-N 3.1Å; G1795-K1797 PolarHBondContact O-N 2.99Å
1796	A	95.3	Very high	94.7	Very high	18 Å²	18	27.7 Å²	27.7	15%	0.149	14%	0.135	C	C	.	.			trans	-57	136.7	172.6	0	0	0	0	0	111.8	M1770 V1775 S1791 V1799	M1770-A1796 HydrophobicContact CB-CB 4.22Å; M1770-A1796 VanDerWaalsContact O-CA 3.31Å; M1770-A1796 WeakPolarHBondContact O-CA 3.37Å; V1775-A1796 HydrophobicContact CG2-CB 3.86Å; S1791-A1796 WeakPolarHBondContact O-CB 3.41Å; S1791-A1796 PolarHBondContact O-N 2.84Å; A1796-V1799 HydrophobicContact CB-CG2 3.5Å; A1796-V1799 VanDerWaalsContact CB-CG2 3.5Å
1797	K	94.1	Very high	94.4	Very high	163 Å²	163	31.4 Å²	31.4	71%	0.709	15%	0.152	S	C	*	.	S	Bend	trans	-69.9	-37	-177.4	177	177.9	179.2	178.8	0	112.3	G1772 K1773 G1795	G1772-K1797 VanDerWaalsContact O-CB 3.24Å; G1772-K1797 WeakPolarHBondContact O-CB 3.42Å; K1773-K1797 PolarHBondContact O-N 2.91Å; G1795-K1797 PolarHBondContact O-N 2.99Å
1798	H	95.7	Very high	93.7	Very high	80 Å²	80	38.6 Å²	38.6	37%	0.37	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	143.4	174.1	-165.2	65.4	0	0	0	108.8	K1773 R1774 V1775 T1800 E1826	K1773-H1798 PolarHBondContact O-N 3.16Å; R1774-H1798 WeakPolarHBondContact CA-O 3.22Å; R1774-H1798 HydrophobicContact CG-CB 4.3Å; V1775-H1798 PolarHBondContact N-O 3.11Å; H1798-T1800 PolarHBondContact CD2-OG1 3.3Å; H1798-E1826 IonicContact CD2-OE2 2.74Å; H1798-E1826 IonicContact CE1-OE2 3.08Å; H1798-E1826 IonicContact NE2-OE2 2.63Å; H1798-E1826 PolarHBondContact NE2-OE2 3.44Å
1799	V	97.6	Very high	93.1	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.024	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	124.8	179.7	-174.1	0	0	0	0	109.6	V1775 V1788 V1792 A1796 V1825 E1826	V1775-V1799 HydrophobicContact CB-CG1 4.49Å; V1775-V1799 HydrophobicContact CB-CG2 4.4Å; V1775-V1799 WeakPolarHBondContact O-CA 3.36Å; V1788-V1799 HydrophobicContact CB-CG1 3.6Å; V1788-V1799 HydrophobicContact CG1-CG1 3.63Å; V1792-V1799 HydrophobicContact CG2-CB 4.22Å; V1792-V1799 HydrophobicContact CG2-CG2 3.82Å; A1796-V1799 HydrophobicContact CB-CG2 3.5Å; A1796-V1799 VanDerWaalsContact CB-CG2 3.5Å; V1799-V1825 HydrophobicContact CB-CG2 4.41Å; V1799-V1825 HydrophobicContact CG1-CG1 4.33Å; V1799-V1825 HydrophobicContact CG1-CG2 4.33Å; V1799-E1826 PolarHBondContact O-N 2.9Å
1800	T	97.1	Very high	92.6	Very high	4 Å²	4	41.4 Å²	41.4	3%	0.025	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.7	179.5	-52.8	0	0	0	0	110.3	V1775 V1776 V1777 H1798 E1826 K1828	V1775-T1800 PolarHBondContact O-N 3.47Å; V1776-T1800 CarbonylContact C-O 3.5Å; V1776-T1800 WeakPolarHBondContact CA-O 3.25Å; V1777-T1800 PolarHBondContact N-O 3.46Å; H1798-T1800 PolarHBondContact CD2-OG1 3.3Å; T1800-E1826 CarbonylContact C-O 3.52Å; T1800-E1826 VanDerWaalsContact CA-O 3.28Å; T1800-E1826 WeakPolarHBondContact CA-O 3.25Å; T1800-E1826 HydrophobicContact CG2-CB 4.45Å; T1800-K1828 HydrophobicContact CG2-CD 3.99Å; T1800-K1828 HydrophobicContact CG2-CG 3.88Å
1801	C	96	Very high	91.8	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.007	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	126.8	166.5	-174.6	0	0	0	0	109.3	M1785 V1788 V1825 E1826 F1827 K1828	M1785-C1801 HydrophobicContact CE-CB 4.33Å; M1785-C1801 VanDerWaalsContact CE-SG 3.58Å; V1788-C1801 HydrophobicContact CG1-CB 4.08Å; C1801-V1825 HydrophobicContact CB-CG1 4.33Å; C1801-E1826 PolarHBondContact N-O 3.29Å; C1801-F1827 HydrophobicContact CB-CD1 3.94Å; C1801-F1827 HydrophobicContact CB-CE1 4.04Å; C1801-F1827 HydrophobicContact CB-CG 4.48Å; C1801-K1828 PolarHBondContact O-N 3.41Å
1802	A	94.6	Very high	90.9	Very high	2 Å²	2	44.3 Å²	44.3	2%	0.017	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	122.4	179.4	0	0	0	0	0	111.5	V1777 L1778 G1779 K1828 V1831 M1849	V1777-A1802 PolarHBondContact O-N 3.15Å; L1778-A1802 HydrophobicContact CD2-CB 4.09Å; G1779-A1802 PolarHBondContact N-O 2.97Å; A1802-K1828 WeakPolarHBondContact CA-O 3.48Å; A1802-V1831 HydrophobicContact CB-CG2 4.13Å; A1802-M1849 HydrophobicContact CB-CE 3.53Å; A1802-M1849 HydrophobicContact CB-SD 3.95Å
1803	Y	94.3	Very high	90.3	Very high	18 Å²	18	44.1 Å²	44.1	7%	0.071	22%	0.219	C	C	.	.			trans	-132.7	136.8	-176	-168.3	-121.6	0	0	0	113	R1805 N1809 M1810 P1811 K1828 F1829 N1830 V1831	Y1803-R1805 HydrophobicContact CD1-CB 4.05Å; Y1803-R1805 HydrophobicContact CE1-CB 3.66Å; Y1803-R1805 HydrophobicContact CE1-CG 4.23Å; Y1803-R1805 PolarHBondContact O-N 3.39Å; Y1803-R1805 VanDerWaalsContact O-N 3.14Å; Y1803-N1809 PolarHBondContact OH-O 2.88Å; Y1803-M1810 HydrophobicContact CD1-CB 4.15Å; Y1803-M1810 HydrophobicContact CD1-CE 3.89Å; Y1803-M1810 HydrophobicContact CD1-CG 4.34Å; Y1803-M1810 HydrophobicContact CD2-CE 4.37Å; Y1803-M1810 HydrophobicContact CE1-CB 4.02Å; Y1803-M1810 HydrophobicContact CE1-CG 4.35Å; Y1803-M1810 HydrophobicContact CG-CE 3.69Å; Y1803-P1811 VanDerWaalsContact OH-CD 3.3Å; Y1803-P1811 WeakPolarHBondContact OH-CD 3.37Å; Y1803-K1828 PolarHBondContact N-O 3.05Å; Y1803-F1829 CarbonylContact O-C 3.52Å; Y1803-N1830 PolarHBondContact O-N 2.85Å; Y1803-V1831 CarbonylContact C-O 3.3Å; Y1803-V1831 PolarHBondContact O-N 3Å; Y1803-V1831 VanDerWaalsContact O-N 3.08Å
1804	R	91.3	Very high	89.9	Confident	127 Å²	127	51 Å²	51	48%	0.479	25%	0.245	S	C	.	.	S	Bend	trans	-75.9	5.6	-172.4	68.7	175.4	179.8	-173.8	-4	116	V1831 Q1832 T1852 A1865	R1804-V1831 WeakPolarHBondContact CA-O 3.5Å; R1804-V1831 PolarHBondContact N-O 2.86Å; R1804-Q1832 HydrophobicContact CB-CB 4.04Å; R1804-Q1832 HydrophobicContact CB-CG 4.47Å; R1804-T1852 PolarHBondContact O-OG1 2.92Å; R1804-A1865 HydrophobicContact CB-CB 4.44Å; R1804-A1865 HydrophobicContact CG-CB 4.39Å; R1804-A1865 WeakPolarHBondContact O-CB 3.42Å
1805	R	90.6	Very high	89.5	Confident	34 Å²	34	52 Å²	52	13%	0.128	25%	0.248	C	C	.	.	S	Bend	trans	-137.2	176.2	177	-60.2	179.1	166.7	151	-7.3	109.4	Y1803 N1809 F1829 N1830 M1854 R1863 A1865	Y1803-R1805 HydrophobicContact CD1-CB 4.05Å; Y1803-R1805 HydrophobicContact CE1-CB 3.66Å; Y1803-R1805 HydrophobicContact CE1-CG 4.23Å; Y1803-R1805 PolarHBondContact O-N 3.39Å; Y1803-R1805 VanDerWaalsContact O-N 3.14Å; R1805-N1809 HydrophobicContact CB-CB 4.13Å; R1805-F1829 WeakPolarHBondContact O-CB 3.39Å; R1805-N1830 WeakPolarHBondContact CA-OD1 3.47Å; R1805-N1830 PolarHBondContact O-N 2.94Å; R1805-M1854 HydrophobicContact CB-CE 3.9Å; R1805-M1854 HydrophobicContact CB-SD 3.6Å; R1805-M1854 VanDerWaalsContact CB-SD 3.6Å; R1805-M1854 HydrophobicContact CG-CE 3.77Å; R1805-M1854 HydrophobicContact CG-SD 3.74Å; R1805-R1863 PolarHBondContact NE-O 2.95Å; R1805-R1863 PolarHBondContact NH2-O 3.45Å; R1805-A1865 HydrophobicContact CG-CB 4.39Å
1806	D	89.1	Confident	89.3	Confident	33 Å²	33	50.9 Å²	50.9	18%	0.176	23%	0.232	C	C	.	.			trans	-62.7	174.1	170.2	59.6	49.1	0	0	0	113.4	E1808 N1809 N1830 M1854	D1806-E1808 PolarHBondContact OD1-N 2.71Å; D1806-N1809 VanDerWaalsContact CG-ND2 3.34Å; D1806-N1809 VanDerWaalsContact OD1-CB 3.28Å; D1806-N1809 WeakPolarHBondContact OD1-CB 3.4Å; D1806-N1809 PolarHBondContact OD1-N 3.22Å; D1806-N1809 PolarHBondContact OD1-ND2 3.02Å; D1806-N1809 PolarHBondContact OD2-ND2 3.14Å; D1806-N1809 VanDerWaalsContact OD2-ND2 3.11Å; D1806-N1830 PolarHBondContact N-OD1 2.79Å; D1806-M1854 WeakPolarHBondContact OD2-CG 3.28Å
1807	E	89	Confident	89.1	Confident	87 Å²	87	50.4 Å²	50.4	41%	0.407	23%	0.228	S	C	.	.	S	Bend	trans	-69.4	-33.3	-179.7	-174.7	162.1	-179.7	0	0	112.6	M1810 R1821 F1829	E1807-M1810 WeakPolarHBondContact O-CB 3.39Å; E1807-M1810 PolarHBondContact O-N 3.19Å; E1807-R1821 IonicContact OE1-CZ 3.31Å; E1807-R1821 IonicContact OE1-NH1 3.22Å; E1807-R1821 PolarHBondContact OE1-NH1 3.05Å; E1807-R1821 IonicContact OE1-NH2 3.75Å; E1807-R1821 PolarHBondContact OE1-NH2 3.21Å; E1807-R1821 IonicContact OE2-CZ 2.64Å; E1807-R1821 IonicContact OE2-NH1 3.5Å; E1807-R1821 PolarHBondContact OE2-NH1 3.35Å; E1807-R1821 IonicContact OE2-NH2 3.88Å; E1807-R1821 PolarHBondContact OE2-NH2 3.2Å; E1807-F1829 HydrophobicContact CB-CD1 4.11Å; E1807-F1829 HydrophobicContact CB-CD2 4.1Å; E1807-F1829 HydrophobicContact CB-CE1 3.76Å; E1807-F1829 HydrophobicContact CB-CE2 3.74Å; E1807-F1829 HydrophobicContact CB-CG 4.28Å; E1807-F1829 HydrophobicContact CB-CZ 3.56Å; E1807-F1829 HydrophobicContact CG-CE1 4.04Å; E1807-F1829 HydrophobicContact CG-CE2 3.92Å; E1807-F1829 HydrophobicContact CG-CZ 3.51Å; E1807-F1829 VanDerWaalsContact OE2-CE2 3.28Å; E1807-F1829 WeakPolarHBondContact OE2-CE2 3.4Å
1808	E	81.3	Confident	88.9	Confident	151 Å²	151	48.8 Å²	48.8	71%	0.706	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-37.2	-178.6	-174.3	175	-162	0	0	112.2	D1806 M1810	D1806-E1808 PolarHBondContact OD1-N 2.71Å; E1808-M1810 VanDerWaalsContact C-N 3.3Å; E1808-M1810 PolarHBondContact O-N 3.24Å
1809	N	83.2	Confident	88.7	Confident	46 Å²	46	45 Å²	45	25%	0.246	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	7.5	177.7	-71.5	-91.1	0	0	0	113.6	Y1803 R1805 D1806 M1854	Y1803-N1809 PolarHBondContact OH-O 2.88Å; R1805-N1809 HydrophobicContact CB-CB 4.13Å; D1806-N1809 VanDerWaalsContact CG-ND2 3.34Å; D1806-N1809 VanDerWaalsContact OD1-CB 3.28Å; D1806-N1809 WeakPolarHBondContact OD1-CB 3.4Å; D1806-N1809 PolarHBondContact OD1-N 3.22Å; D1806-N1809 PolarHBondContact OD1-ND2 3.02Å; D1806-N1809 PolarHBondContact OD2-ND2 3.14Å; D1806-N1809 VanDerWaalsContact OD2-ND2 3.11Å; N1809-M1854 HydrophobicContact CB-CE 4.43Å
1810	M	85.2	Confident	88.5	Confident	12 Å²	12	44.8 Å²	44.8	6%	0.059	20%	0.202	C	C	.	.			trans	-74	125.4	173.8	-175.9	175.1	-90.2	0	0	110.6	M1785 Y1803 E1807 E1808 G1812 V1817 F1827 F1829	M1785-M1810 HydrophobicContact CE-SD 4.37Å; Y1803-M1810 HydrophobicContact CD1-CB 4.15Å; Y1803-M1810 HydrophobicContact CD1-CE 3.89Å; Y1803-M1810 HydrophobicContact CD1-CG 4.34Å; Y1803-M1810 HydrophobicContact CD2-CE 4.37Å; Y1803-M1810 HydrophobicContact CE1-CB 4.02Å; Y1803-M1810 HydrophobicContact CE1-CG 4.35Å; Y1803-M1810 HydrophobicContact CG-CE 3.69Å; E1807-M1810 WeakPolarHBondContact O-CB 3.39Å; E1807-M1810 PolarHBondContact O-N 3.19Å; E1808-M1810 VanDerWaalsContact C-N 3.3Å; E1808-M1810 PolarHBondContact O-N 3.24Å; M1810-G1812 PolarHBondContact O-N 2.69Å; M1810-G1812 VanDerWaalsContact O-N 3.1Å; M1810-V1817 HydrophobicContact SD-CG2 3.77Å; M1810-F1827 HydrophobicContact CE-CD1 4.48Å; M1810-F1827 HydrophobicContact CE-CE1 4.49Å; M1810-F1827 HydrophobicContact SD-CE1 4.46Å; M1810-F1829 HydrophobicContact CE-CD1 4.29Å; M1810-F1829 HydrophobicContact CE-CE1 3.6Å; M1810-F1829 HydrophobicContact CE-CZ 4.49Å; M1810-F1829 HydrophobicContact SD-CE1 4.15Å
1811	P	80.4	Confident	88.3	Confident	59 Å²	59	50 Å²	50	38%	0.383	22%	0.221	S	C	.	.			trans	-80.4	14.1	-172.7	32.7	-37.7	0	0	0	114.9	R1587 Y1803	R1587-P1811 VanDerWaalsContact NH1-C 3.33Å; R1587-P1811 PolarHBondContact NH1-O 2.93Å; Y1803-P1811 VanDerWaalsContact OH-CD 3.3Å; Y1803-P1811 WeakPolarHBondContact OH-CD 3.37Å
1812	G	76.2	Confident	88.1	Confident	3 Å²	3	53 Å²	53	3%	0.031	24%	0.235	C	C	.	.	S	Bend	trans	-89.6	173.2	176.7	0	0	0	0	0	112.1	D1782 M1810	D1782-G1812 WeakPolarHBondContact OD1-CA 3.24Å; M1810-G1812 PolarHBondContact O-N 2.69Å; M1810-G1812 VanDerWaalsContact O-N 3.1Å
1813	S	84.7	Confident	88.1	Confident	9 Å²	9	53 Å²	53	6%	0.063	23%	0.234	C	C	.	.			trans	-67.1	133.5	166.5	175.7	0	0	0	0	110.6	D1586 D1782 R1815 E1816 V1817	D1586-S1813 PolarHBondContact OD1-OG 2.81Å; D1782-S1813 PolarHBondContact OD1-N 3.01Å; S1813-R1815 PolarHBondContact O-N 3.05Å; S1813-R1815 WeakPolarHBondContact OG-CB 3.45Å; S1813-R1815 PolarHBondContact OG-N 3.35Å; S1813-E1816 PolarHBondContact O-N 3.06Å; S1813-E1816 VanDerWaalsContact O-N 3.1Å; S1813-V1817 PolarHBondContact O-N 2.88Å; S1813-V1817 VanDerWaalsContact O-N 3.14Å
1814	R	84.6	Confident	88	Confident	159 Å²	159	54.2 Å²	54.2	60%	0.6	25%	0.253	S	S	*	.	H	α-helix	trans	-61.4	-32	174.4	-63	173.7	169.9	-178.9	-5	111.2	D1586 E1816 K1818	D1586-R1814 VanDerWaalsContact OD2-CB 3.3Å; D1586-R1814 WeakPolarHBondContact OD2-CB 3.35Å; D1586-R1814 WeakPolarHBondContact OD2-CG 3.49Å; D1586-R1814 PolarHBondContact OD2-N 2.66Å; R1814-E1816 VanDerWaalsContact C-N 3.33Å; R1814-E1816 PolarHBondContact O-N 3.05Å; R1814-K1818 WeakPolarHBondContact O-CB 3.46Å; R1814-K1818 PolarHBondContact O-N 2.88Å
1815	R	86.5	Confident	88.2	Confident	43 Å²	43	48.5 Å²	48.5	16%	0.162	23%	0.232	C	C	.	.	H	α-helix	trans	-62.9	-40	175.4	-171.6	-179.2	-114	164.6	2.3	111.2	D1500 Y1517 N1606 S1813 N1819	D1500-R1815 IonicContact OD1-CZ 2.61Å; D1500-R1815 IonicContact OD1-NH2 3.85Å; D1500-R1815 PolarHBondContact OD1-NH2 2.95Å; Y1517-R1815 HydrophobicContact CE2-CG 4.46Å; Y1517-R1815 WeakPolarHBondContact OH-CG 3.4Å; Y1517-R1815 PolarHBondContact OH-NE 3.43Å; N1606-R1815 PolarHBondContact ND2-NH2 2.89Å; S1813-R1815 PolarHBondContact O-N 3.05Å; S1813-R1815 WeakPolarHBondContact OG-CB 3.45Å; S1813-R1815 PolarHBondContact OG-N 3.35Å; R1815-N1819 WeakPolarHBondContact O-CB 3.42Å; R1815-N1819 PolarHBondContact O-N 2.93Å; R1815-N1819 PolarHBondContact O-ND2 3.35Å
1816	E	89.6	Confident	88.5	Confident	15 Å²	15	50 Å²	50	7%	0.07	24%	0.241	C	C	.	.	H	α-helix	trans	-74.5	-40	-179.5	-74.3	-63.1	101.9	0	0	113.1	K1678 M1785 R1789 S1813 R1814 K1818 N1819 A1820	K1678-E1816 WeakPolarHBondContact CD-OE2 3.35Å; M1785-E1816 HydrophobicContact CB-CB 4.18Å; M1785-E1816 HydrophobicContact CG-CB 4.17Å; R1789-E1816 IonicContact CZ-OE2 2.65Å; R1789-E1816 IonicContact NH1-OE1 3.37Å; R1789-E1816 PolarHBondContact NH1-OE1 3.42Å; R1789-E1816 VanDerWaalsContact NH1-OE1 3.07Å; R1789-E1816 IonicContact NH1-OE2 2.75Å; R1789-E1816 PolarHBondContact NH1-OE2 3.05Å; S1813-E1816 PolarHBondContact O-N 3.06Å; S1813-E1816 VanDerWaalsContact O-N 3.1Å; R1814-E1816 VanDerWaalsContact C-N 3.33Å; R1814-E1816 PolarHBondContact O-N 3.05Å; E1816-K1818 VanDerWaalsContact C-N 3.32Å; E1816-K1818 PolarHBondContact O-N 2.91Å; E1816-N1819 PolarHBondContact O-N 3.2Å; E1816-N1819 PolarHBondContact OE1-ND2 2.7Å; E1816-A1820 WeakPolarHBondContact O-CB 3.46Å; E1816-A1820 PolarHBondContact O-N 3.21Å
1817	V	89.9	Confident	88.7	Confident	8 Å²	8	49.9 Å²	49.9	5%	0.048	24%	0.238	C	C	.	.	H	α-helix	trans	-57.1	-46.5	170.2	174.2	0	0	0	0	110.8	M1785 M1810 S1813 A1820 R1821 F1827	M1785-V1817 HydrophobicContact CG-CG2 4.39Å; M1785-V1817 HydrophobicContact SD-CB 4.37Å; M1785-V1817 HydrophobicContact SD-CG2 3.8Å; M1810-V1817 HydrophobicContact SD-CG2 3.77Å; S1813-V1817 PolarHBondContact O-N 2.88Å; S1813-V1817 VanDerWaalsContact O-N 3.14Å; V1817-A1820 PolarHBondContact O-N 3.43Å; V1817-R1821 WeakPolarHBondContact O-CB 3.32Å; V1817-R1821 PolarHBondContact O-N 3.47Å; V1817-F1827 HydrophobicContact CB-CZ 4.38Å; V1817-F1827 HydrophobicContact CG1-CD1 4.46Å; V1817-F1827 HydrophobicContact CG1-CE1 3.84Å; V1817-F1827 HydrophobicContact CG1-CE2 4.4Å; V1817-F1827 HydrophobicContact CG1-CZ 3.82Å; V1817-F1827 HydrophobicContact CG2-CE1 4.41Å
1818	K	89.6	Confident	89	Confident	129 Å²	129	48.6 Å²	48.6	56%	0.561	23%	0.231	S	C	*	.	H	α-helix	trans	-61.7	-45.1	175.7	-176.3	177.6	178.5	178	0	112.1	R1814 E1816 R1821 E1822	R1814-K1818 WeakPolarHBondContact O-CB 3.46Å; R1814-K1818 PolarHBondContact O-N 2.88Å; E1816-K1818 VanDerWaalsContact C-N 3.32Å; E1816-K1818 PolarHBondContact O-N 2.91Å; K1818-R1821 PolarHBondContact O-N 3.38Å; K1818-E1822 WeakPolarHBondContact O-CG 3.26Å; K1818-E1822 PolarHBondContact O-N 3.18Å
1819	N	92	Very high	89.5	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-43.5	177.7	-73.4	-28.2	0	0	0	112.3	K1503 I1516 R1815 E1816 E1822 E1823	K1503-N1819 PolarHBondContact NZ-OD1 3.16Å; I1516-N1819 HydrophobicContact CD1-CB 4.44Å; I1516-N1819 WeakPolarHBondContact CD1-ND2 3.39Å; R1815-N1819 WeakPolarHBondContact O-CB 3.42Å; R1815-N1819 PolarHBondContact O-N 2.93Å; R1815-N1819 PolarHBondContact O-ND2 3.35Å; E1816-N1819 PolarHBondContact O-N 3.2Å; E1816-N1819 PolarHBondContact OE1-ND2 2.7Å; N1819-E1822 PolarHBondContact O-N 2.97Å; N1819-E1823 WeakPolarHBondContact O-CB 3.09Å; N1819-E1823 VanDerWaalsContact O-CG 3.3Å; N1819-E1823 WeakPolarHBondContact O-CG 3.14Å; N1819-E1823 PolarHBondContact O-N 3.16Å
1820	A	93	Very high	90	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.4	-42.2	176.2	0	0	0	0	0	112	M1785 V1788 R1789 E1816 V1817 E1823 G1824 V1825 F1827	M1785-A1820 HydrophobicContact SD-CB 4.22Å; V1788-A1820 HydrophobicContact CG2-CB 4.13Å; R1789-A1820 HydrophobicContact CG-CB 3.8Å; E1816-A1820 WeakPolarHBondContact O-CB 3.46Å; E1816-A1820 PolarHBondContact O-N 3.21Å; V1817-A1820 PolarHBondContact O-N 3.43Å; A1820-E1823 CarbonylContact O-C 3.6Å; A1820-E1823 PolarHBondContact O-N 2.82Å; A1820-G1824 PolarHBondContact O-N 3.09Å; A1820-G1824 VanDerWaalsContact O-N 3.11Å; A1820-V1825 HydrophobicContact CB-CB 4.16Å; A1820-V1825 HydrophobicContact CB-CG2 4.04Å; A1820-V1825 WeakPolarHBondContact O-CB 3.42Å; A1820-V1825 WeakPolarHBondContact O-CG2 3.44Å; A1820-V1825 PolarHBondContact O-N 2.63Å; A1820-F1827 HydrophobicContact CB-CE2 4.12Å; A1820-F1827 HydrophobicContact CB-CZ 3.95Å
1821	R	93.3	Very high	90.4	Very high	114 Å²	114	43.6 Å²	43.6	43%	0.43	21%	0.208	S	C	.	.	H	α-helix	trans	-63.7	-43.2	176.1	-169	175.8	-66.4	159.4	3.4	111.9	E1807 V1817 K1818 E1823 G1824 F1827	E1807-R1821 IonicContact OE1-CZ 3.31Å; E1807-R1821 IonicContact OE1-NH1 3.22Å; E1807-R1821 PolarHBondContact OE1-NH1 3.05Å; E1807-R1821 IonicContact OE1-NH2 3.75Å; E1807-R1821 PolarHBondContact OE1-NH2 3.21Å; E1807-R1821 IonicContact OE2-CZ 2.64Å; E1807-R1821 IonicContact OE2-NH1 3.5Å; E1807-R1821 PolarHBondContact OE2-NH1 3.35Å; E1807-R1821 IonicContact OE2-NH2 3.88Å; E1807-R1821 PolarHBondContact OE2-NH2 3.2Å; V1817-R1821 WeakPolarHBondContact O-CB 3.32Å; V1817-R1821 PolarHBondContact O-N 3.47Å; K1818-R1821 PolarHBondContact O-N 3.38Å; R1821-E1823 VanDerWaalsContact C-N 3.33Å; R1821-E1823 PolarHBondContact O-N 2.66Å; R1821-G1824 PolarHBondContact O-N 2.92Å; R1821-G1824 VanDerWaalsContact O-N 3.16Å; R1821-F1827 HydrophobicContact CB-CE2 4.15Å
1822	E	92.4	Very high	90.9	Very high	64 Å²	64	43.3 Å²	43.3	30%	0.299	20%	0.202	S	C	.	.	H	α-helix	trans	-58.8	-42.1	171.5	-74.3	173.8	-155.3	0	0	112	K1503 L1506 R1509 K1818 N1819 G1824	K1503-E1822 IonicContact NZ-OE1 2.92Å; K1503-E1822 PolarHBondContact NZ-OE1 3.07Å; K1503-E1822 IonicContact NZ-OE2 3.81Å; K1503-E1822 PolarHBondContact NZ-OE2 3.48Å; L1506-E1822 HydrophobicContact CD1-CB 4.35Å; L1506-E1822 WeakPolarHBondContact CD1-O 3.19Å; R1509-E1822 IonicContact CZ-OE2 2.8Å; R1509-E1822 VanDerWaalsContact CZ-OE2 3.3Å; R1509-E1822 IonicContact NH1-OE2 2.79Å; R1509-E1822 PolarHBondContact NH1-OE2 2.92Å; R1509-E1822 IonicContact NH2-OE2 2.91Å; R1509-E1822 PolarHBondContact NH2-OE2 2.95Å; K1818-E1822 WeakPolarHBondContact O-CG 3.26Å; K1818-E1822 PolarHBondContact O-N 3.18Å; N1819-E1822 PolarHBondContact O-N 2.97Å; E1822-G1824 PolarHBondContact O-N 2.84Å
1823	E	93.5	Very high	91.6	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-71.2	-10.4	178.7	-72.7	169.6	-176.3	0	0	113.1	L1506 R1509 K1510 R1789 V1792 R1793 N1819 A1820 R1821	L1506-E1823 HydrophobicContact CD1-CG 4.47Å; R1509-E1823 HydrophobicContact CB-CG 4.43Å; K1510-E1823 WeakPolarHBondContact CD-O 3.25Å; K1510-E1823 VanDerWaalsContact CE-O 3.23Å; K1510-E1823 WeakPolarHBondContact CE-O 3.36Å; K1510-E1823 HydrophobicContact CG-CB 4.43Å; K1510-E1823 PolarHBondContact NZ-O 2.8Å; R1789-E1823 WeakPolarHBondContact CG-OE2 3.45Å; R1789-E1823 IonicContact CZ-OE1 2.8Å; R1789-E1823 IonicContact CZ-OE2 3.2Å; R1789-E1823 IonicContact NE-OE1 3.6Å; R1789-E1823 IonicContact NE-OE2 2.66Å; R1789-E1823 PolarHBondContact NE-OE2 3.16Å; R1789-E1823 IonicContact NH2-OE1 3.44Å; R1789-E1823 PolarHBondContact NH2-OE1 3.27Å; R1789-E1823 IonicContact NH2-OE2 3.71Å; V1792-E1823 HydrophobicContact CG1-CB 4.49Å; R1793-E1823 IonicContact CZ-OE1 2.69Å; R1793-E1823 IonicContact CZ-OE2 2.92Å; R1793-E1823 IonicContact NH1-OE1 3.23Å; R1793-E1823 IonicContact NH1-OE2 3.69Å; R1793-E1823 PolarHBondContact NH1-OE2 3.06Å; R1793-E1823 IonicContact NH2-OE1 2.9Å; R1793-E1823 PolarHBondContact NH2-OE1 2.97Å; R1793-E1823 IonicContact NH2-OE2 3.7Å; N1819-E1823 WeakPolarHBondContact O-CB 3.09Å; N1819-E1823 VanDerWaalsContact O-CG 3.3Å; N1819-E1823 WeakPolarHBondContact O-CG 3.14Å; N1819-E1823 PolarHBondContact O-N 3.16Å; A1820-E1823 CarbonylContact O-C 3.6Å; A1820-E1823 PolarHBondContact O-N 2.82Å; R1821-E1823 VanDerWaalsContact C-N 3.33Å; R1821-E1823 PolarHBondContact O-N 2.66Å
1824	G	93	Very high	91.9	Very high	44 Å²	44	46.5 Å²	46.5	45%	0.454	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	105.9	20.1	171.7	0	0	0	0	0	115.5	A1820 R1821 E1822	A1820-G1824 PolarHBondContact O-N 3.09Å; A1820-G1824 VanDerWaalsContact O-N 3.11Å; R1821-G1824 PolarHBondContact O-N 2.92Å; R1821-G1824 VanDerWaalsContact O-N 3.16Å; E1822-G1824 PolarHBondContact O-N 2.84Å
1825	V	95.6	Very high	92.2	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.042	19%	0.192	C	C	.	.			trans	-77.7	130	175.1	178.8	0	0	0	0	110.7	V1788 V1792 V1799 C1801 A1820 F1827	V1788-V1825 HydrophobicContact CB-CG1 3.93Å; V1788-V1825 HydrophobicContact CB-CG2 3.88Å; V1788-V1825 HydrophobicContact CG1-CG1 4.08Å; V1788-V1825 HydrophobicContact CG2-CG1 4.01Å; V1788-V1825 HydrophobicContact CG2-CG2 3.95Å; V1792-V1825 HydrophobicContact CG2-CG2 3.78Å; V1799-V1825 HydrophobicContact CB-CG2 4.41Å; V1799-V1825 HydrophobicContact CG1-CG1 4.33Å; V1799-V1825 HydrophobicContact CG1-CG2 4.33Å; C1801-V1825 HydrophobicContact CB-CG1 4.33Å; A1820-V1825 HydrophobicContact CB-CB 4.16Å; A1820-V1825 HydrophobicContact CB-CG2 4.04Å; A1820-V1825 WeakPolarHBondContact O-CB 3.42Å; A1820-V1825 WeakPolarHBondContact O-CG2 3.44Å; A1820-V1825 PolarHBondContact O-N 2.63Å; V1825-F1827 HydrophobicContact CB-CE2 4.13Å; V1825-F1827 HydrophobicContact CG1-CD2 4.3Å; V1825-F1827 HydrophobicContact CG1-CE2 3.95Å; V1825-F1827 HydrophobicContact CG1-CZ 4.41Å
1826	E	96.2	Very high	92.5	Very high	67 Å²	67	37.2 Å²	37.2	31%	0.313	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	134.3	170.4	-171.8	-170.7	166.2	0	0	110.2	H1798 V1799 T1800 C1801 K1828	H1798-E1826 IonicContact CD2-OE2 2.74Å; H1798-E1826 IonicContact CE1-OE2 3.08Å; H1798-E1826 IonicContact NE2-OE2 2.63Å; H1798-E1826 PolarHBondContact NE2-OE2 3.44Å; V1799-E1826 PolarHBondContact O-N 2.9Å; T1800-E1826 CarbonylContact C-O 3.52Å; T1800-E1826 VanDerWaalsContact CA-O 3.28Å; T1800-E1826 WeakPolarHBondContact CA-O 3.25Å; T1800-E1826 HydrophobicContact CG2-CB 4.45Å; C1801-E1826 PolarHBondContact N-O 3.29Å; E1826-K1828 WeakPolarHBondContact OE1-CE 3.34Å; E1826-K1828 IonicContact OE1-NZ 2.87Å; E1826-K1828 PolarHBondContact OE1-NZ 2.91Å
1827	F	94.5	Very high	92.7	Very high	29 Å²	29	39.5 Å²	39.5	13%	0.127	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128.2	174.3	-74.9	-101.5	0	0	0	110.6	M1785 C1801 M1810 V1817 A1820 R1821 V1825 F1829	M1785-F1827 HydrophobicContact CE-CE1 3.54Å; M1785-F1827 HydrophobicContact CE-CZ 3.87Å; M1785-F1827 HydrophobicContact SD-CE1 3.83Å; M1785-F1827 HydrophobicContact SD-CZ 3.68Å; C1801-F1827 HydrophobicContact CB-CD1 3.94Å; C1801-F1827 HydrophobicContact CB-CE1 4.04Å; C1801-F1827 HydrophobicContact CB-CG 4.48Å; M1810-F1827 HydrophobicContact CE-CD1 4.48Å; M1810-F1827 HydrophobicContact CE-CE1 4.49Å; M1810-F1827 HydrophobicContact SD-CE1 4.46Å; V1817-F1827 HydrophobicContact CB-CZ 4.38Å; V1817-F1827 HydrophobicContact CG1-CD1 4.46Å; V1817-F1827 HydrophobicContact CG1-CE1 3.84Å; V1817-F1827 HydrophobicContact CG1-CE2 4.4Å; V1817-F1827 HydrophobicContact CG1-CZ 3.82Å; V1817-F1827 HydrophobicContact CG2-CE1 4.41Å; A1820-F1827 HydrophobicContact CB-CE2 4.12Å; A1820-F1827 HydrophobicContact CB-CZ 3.95Å; R1821-F1827 HydrophobicContact CB-CE2 4.15Å; V1825-F1827 HydrophobicContact CB-CE2 4.13Å; V1825-F1827 HydrophobicContact CG1-CD2 4.3Å; V1825-F1827 HydrophobicContact CG1-CE2 3.95Å; V1825-F1827 HydrophobicContact CG1-CZ 4.41Å; F1827-F1829 HydrophobicContact CB-CD2 4.14Å; F1827-F1829 HydrophobicContact CB-CE2 3.54Å; F1827-F1829 HydrophobicContact CB-CZ 3.89Å; F1827-F1829 HydrophobicContact CD1-CE1 4.15Å; F1827-F1829 HydrophobicContact CD1-CE2 4.14Å; F1827-F1829 AromaticContact CD1-CZ 3.56Å; F1827-F1829 HydrophobicContact CD1-CZ 3.56Å; F1827-F1829 HydrophobicContact CE1-CZ 4.4Å; F1827-F1829 HydrophobicContact CG-CE2 4.11Å; F1827-F1829 HydrophobicContact CG-CZ 4Å
1828	K	93.8	Very high	92.8	Very high	60 Å²	60	41.4 Å²	41.4	26%	0.261	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	99.1	167.5	-63.2	-171.4	-174.7	-57.5	0	108.4	T1800 C1801 A1802 Y1803 E1826 V1831 V1875	T1800-K1828 HydrophobicContact CG2-CD 3.99Å; T1800-K1828 HydrophobicContact CG2-CG 3.88Å; C1801-K1828 PolarHBondContact O-N 3.41Å; A1802-K1828 WeakPolarHBondContact CA-O 3.48Å; Y1803-K1828 PolarHBondContact N-O 3.05Å; E1826-K1828 WeakPolarHBondContact OE1-CE 3.34Å; E1826-K1828 IonicContact OE1-NZ 2.87Å; E1826-K1828 PolarHBondContact OE1-NZ 2.91Å; K1828-V1831 HydrophobicContact CB-CG2 3.65Å; K1828-V1831 VanDerWaalsContact O-CG2 3.3Å; K1828-V1831 WeakPolarHBondContact O-CG2 3.4Å; K1828-V1875 HydrophobicContact CD-CG2 3.99Å
1829	F	92.8	Very high	92.8	Very high	41 Å²	41	38.3 Å²	38.3	18%	0.18	20%	0.196	C	C	.	.			trans	-83.8	166.2	170.2	-62	-73.1	0	0	0	110.5	Y1803 R1805 E1807 M1810 F1827 V1831	Y1803-F1829 CarbonylContact O-C 3.52Å; R1805-F1829 WeakPolarHBondContact O-CB 3.39Å; E1807-F1829 HydrophobicContact CB-CD1 4.11Å; E1807-F1829 HydrophobicContact CB-CD2 4.1Å; E1807-F1829 HydrophobicContact CB-CE1 3.76Å; E1807-F1829 HydrophobicContact CB-CE2 3.74Å; E1807-F1829 HydrophobicContact CB-CG 4.28Å; E1807-F1829 HydrophobicContact CB-CZ 3.56Å; E1807-F1829 HydrophobicContact CG-CE1 4.04Å; E1807-F1829 HydrophobicContact CG-CE2 3.92Å; E1807-F1829 HydrophobicContact CG-CZ 3.51Å; E1807-F1829 VanDerWaalsContact OE2-CE2 3.28Å; E1807-F1829 WeakPolarHBondContact OE2-CE2 3.4Å; M1810-F1829 HydrophobicContact CE-CD1 4.29Å; M1810-F1829 HydrophobicContact CE-CE1 3.6Å; M1810-F1829 HydrophobicContact CE-CZ 4.49Å; M1810-F1829 HydrophobicContact SD-CE1 4.15Å; F1827-F1829 HydrophobicContact CB-CD2 4.14Å; F1827-F1829 HydrophobicContact CB-CE2 3.54Å; F1827-F1829 HydrophobicContact CB-CZ 3.89Å; F1827-F1829 HydrophobicContact CD1-CE1 4.15Å; F1827-F1829 HydrophobicContact CD1-CE2 4.14Å; F1827-F1829 AromaticContact CD1-CZ 3.56Å; F1827-F1829 HydrophobicContact CD1-CZ 3.56Å; F1827-F1829 HydrophobicContact CE1-CZ 4.4Å; F1827-F1829 HydrophobicContact CG-CE2 4.11Å; F1827-F1829 HydrophobicContact CG-CZ 4Å; F1829-V1831 PolarHBondContact O-N 2.92Å
1830	N	93.2	Very high	92.4	Very high	51 Å²	51	42.5 Å²	42.5	27%	0.273	24%	0.239	S	C	.	.	S	Bend	trans	53.9	38.2	178.6	-69.2	-35.5	0	0	0	113.2	Y1803 R1805 D1806 R1851 T1852	Y1803-N1830 PolarHBondContact O-N 2.85Å; R1805-N1830 WeakPolarHBondContact CA-OD1 3.47Å; R1805-N1830 PolarHBondContact O-N 2.94Å; D1806-N1830 PolarHBondContact N-OD1 2.79Å; N1830-R1851 CarbonylContact O-C 3.57Å; N1830-R1851 WeakPolarHBondContact O-CA 3.17Å; N1830-R1851 WeakPolarHBondContact O-CG 3.43Å; N1830-T1852 WeakPolarHBondContact CA-OG1 3.35Å; N1830-T1852 WeakPolarHBondContact CB-O 3.14Å; N1830-T1852 PolarHBondContact O-N 2.8Å; N1830-T1852 PolarHBondContact O-OG1 3.13Å
1831	V	93	Very high	91.9	Very high	12 Å²	12	49.8 Å²	49.8	7%	0.073	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	136.6	173.2	-68.4	0	0	0	0	112.1	A1802 Y1803 R1804 K1828 F1829 M1849 V1850	A1802-V1831 HydrophobicContact CB-CG2 4.13Å; Y1803-V1831 CarbonylContact C-O 3.3Å; Y1803-V1831 PolarHBondContact O-N 3Å; Y1803-V1831 VanDerWaalsContact O-N 3.08Å; R1804-V1831 WeakPolarHBondContact CA-O 3.5Å; R1804-V1831 PolarHBondContact N-O 2.86Å; K1828-V1831 HydrophobicContact CB-CG2 3.65Å; K1828-V1831 VanDerWaalsContact O-CG2 3.3Å; K1828-V1831 WeakPolarHBondContact O-CG2 3.4Å; F1829-V1831 PolarHBondContact O-N 2.92Å; V1831-M1849 HydrophobicContact CB-SD 4.24Å; V1831-M1849 HydrophobicContact CG2-SD 3.93Å; V1831-V1850 CarbonylContact C-O 3.5Å; V1831-V1850 VanDerWaalsContact CA-O 3.31Å; V1831-V1850 WeakPolarHBondContact CA-O 3.36Å
1832	Q	90.8	Very high	91.5	Very high	53 Å²	53	46.1 Å²	46.1	25%	0.248	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135	176.5	-179.1	173.9	-33.4	0	0	110	R1804 M1849 V1850 T1852	R1804-Q1832 HydrophobicContact CB-CB 4.04Å; R1804-Q1832 HydrophobicContact CB-CG 4.47Å; Q1832-M1849 CarbonylContact O-C 3.56Å; Q1832-M1849 WeakPolarHBondContact O-CA 3.36Å; Q1832-V1850 HydrophobicContact CB-CG1 4.34Å; Q1832-V1850 PolarHBondContact N-O 3.2Å; Q1832-V1850 PolarHBondContact O-N 3.49Å; Q1832-T1852 HydrophobicContact CB-CG2 3.73Å
1833	P	92.6	Very high	91.4	Very high	13 Å²	13	46.6 Å²	46.6	8%	0.084	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	140	170.7	29	-35	0	0	0	111.1	L1734 L1778 V1847 F1884	L1734-P1833 HydrophobicContact CD1-CB 3.96Å; L1734-P1833 HydrophobicContact CD1-CG 4.06Å; L1734-P1833 HydrophobicContact CD2-CB 4.06Å; L1734-P1833 HydrophobicContact CD2-CG 4.21Å; L1734-P1833 WeakPolarHBondContact CD2-O 3.36Å; L1778-P1833 HydrophobicContact CD1-CB 4.06Å; L1778-P1833 HydrophobicContact CD1-CG 4.15Å; L1778-P1833 HydrophobicContact CD2-CB 4.24Å; L1778-P1833 HydrophobicContact CD2-CG 4.31Å; P1833-V1847 HydrophobicContact CB-CG1 3.89Å; P1833-F1884 HydrophobicContact CG-CZ 4.2Å
1834	L	89.7	Confident	91.4	Very high	67 Å²	67	46.7 Å²	46.7	35%	0.351	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-30.4	170.9	-67.7	-177.3	0	0	0	112.4	K1848 V1850 E1872	L1834-K1848 HydrophobicContact CB-CG 4.48Å; L1834-K1848 PolarHBondContact N-O 2.87Å; L1834-V1850 HydrophobicContact CD1-CB 3.84Å; L1834-V1850 HydrophobicContact CD1-CG1 4.11Å; L1834-V1850 HydrophobicContact CD2-CG1 3.88Å; L1834-V1850 HydrophobicContact CG-CB 4.06Å; L1834-V1850 HydrophobicContact CG-CG1 3.88Å; L1834-E1872 HydrophobicContact CD1-CG 3.89Å
1835	G	92.3	Very high	91.4	Very high	4 Å²	4	46.7 Å²	46.7	4%	0.041	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	164.9	-179	0	0	0	0	0	112.6	K1848	G1835-K1848 PolarHBondContact N-O 2.83Å; G1835-K1848 PolarHBondContact O-N 2.8Å
1836	I	92.8	Very high	91.4	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.015	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	125.1	176	-51.7	-57.6	0	0	0	108.9	L1734 E1735 N1736 V1742 L1778 V1844 V1847 V1880	L1734-I1836 HydrophobicContact CD1-CD1 4.3Å; E1735-I1836 PolarHBondContact O-N 3.2Å; N1736-I1836 HydrophobicContact CB-CB 4.1Å; N1736-I1836 WeakPolarHBondContact CB-O 3.45Å; N1736-I1836 PolarHBondContact ND2-O 3.4Å; V1742-I1836 HydrophobicContact CG2-CG1 4.29Å; V1742-I1836 HydrophobicContact CG2-CG2 3.92Å; L1778-I1836 HydrophobicContact CD1-CD1 4.14Å; I1836-V1844 HydrophobicContact CG2-CB 4.14Å; I1836-V1844 HydrophobicContact CG2-CG2 3.48Å; I1836-V1844 VanDerWaalsContact CG2-CG2 3.48Å; I1836-V1847 HydrophobicContact CD1-CG1 4.25Å; I1836-V1847 HydrophobicContact CD1-CG2 3.99Å; I1836-V1880 HydrophobicContact CD1-CG1 4.1Å; I1836-V1880 HydrophobicContact CD1-CG2 4.47Å
1837	E	93.4	Very high	91.3	Very high	63 Å²	63	43.2 Å²	43.2	29%	0.294	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	116.5	179.3	-66.6	-71.6	169.7	0	0	109.2	S1845 G1846 K1848 I1874	E1837-S1845 PolarHBondContact O-N 3.09Å; E1837-S1845 PolarHBondContact O-OG 2.8Å; E1837-G1846 PolarHBondContact N-O 2.82Å; E1837-G1846 PolarHBondContact O-N 2.9Å; E1837-G1846 VanDerWaalsContact O-N 3.17Å; E1837-K1848 HydrophobicContact CG-CB 4.18Å; E1837-I1874 HydrophobicContact CG-CD1 3.99Å; E1837-I1874 HydrophobicContact CG-CG1 4.14Å; E1837-I1874 HydrophobicContact CG-CG2 4.17Å
1838	V	91.5	Very high	91.3	Very high	48 Å²	48	45.6 Å²	45.6	29%	0.291	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	147.1	179.6	-64.1	0	0	0	0	111.9	N1736 A1739 K1843	N1736-V1838 HydrophobicContact CB-CG1 4.04Å; A1739-V1838 HydrophobicContact CB-CG1 3.62Å; V1838-K1843 CarbonylContact C-O 3.55Å; V1838-K1843 WeakPolarHBondContact CA-O 3.26Å
1839	N	89.9	Confident	91.3	Very high	63 Å²	63	42.7 Å²	42.7	34%	0.337	25%	0.252	S	S	.	.			trans	-77.2	176.9	169.6	66.3	41.5	0	0	0	111.3	N1841 G1842 K1843	N1839-N1841 PolarHBondContact O-N 3.05Å; N1839-N1841 WeakPolarHBondContact OD1-CA 3.32Å; N1839-N1841 WeakPolarHBondContact OD1-CB 3.45Å; N1839-N1841 PolarHBondContact OD1-N 2.98Å; N1839-G1842 PolarHBondContact O-N 3.35Å; N1839-K1843 VanDerWaalsContact CG-O 3.23Å; N1839-K1843 PolarHBondContact N-O 3.48Å; N1839-K1843 PolarHBondContact ND2-O 3.5Å; N1839-K1843 PolarHBondContact OD1-N 3.18Å; N1839-K1843 PolarHBondContact OD1-O 2.96Å
1840	G	82.7	Confident	91.4	Very high	88 Å²	88	40.8 Å²	40.8	91%	0.907	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-7.6	-178.7	0	0	0	0	0	116.4
1841	N	84	Confident	91.4	Very high	154 Å²	154	43.9 Å²	43.9	82%	0.824	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	7.4	174.7	-60.1	-15.2	0	0	0	112.9	N1839 K1843	N1839-N1841 PolarHBondContact O-N 3.05Å; N1839-N1841 WeakPolarHBondContact OD1-CA 3.32Å; N1839-N1841 WeakPolarHBondContact OD1-CB 3.45Å; N1839-N1841 PolarHBondContact OD1-N 2.98Å; N1841-K1843 VanDerWaalsContact C-N 3.27Å; N1841-K1843 PolarHBondContact O-N 3.34Å
1842	G	84.1	Confident	91.4	Very high	36 Å²	36	43.3 Å²	43.3	37%	0.371	25%	0.248	S	C	.	.	S	Bend	trans	75.6	10.2	-177.7	0	0	0	0	0	114.9	N1839	N1839-G1842 PolarHBondContact O-N 3.35Å
1843	K	89.8	Confident	91.3	Very high	74 Å²	74	45.7 Å²	45.7	32%	0.322	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-95.1	143.9	176.5	-173.8	-176	-165	87.4	0	110.6	D1740 V1838 N1839 N1841	D1740-K1843 HydrophobicContact CB-CB 4.31Å; D1740-K1843 HydrophobicContact CB-CG 4.26Å; D1740-K1843 CarbonylContact O-C 3.57Å; D1740-K1843 WeakPolarHBondContact O-CA 3.49Å; D1740-K1843 WeakPolarHBondContact O-CG 3.21Å; D1740-K1843 IonicContact OD1-NZ 3.21Å; D1740-K1843 PolarHBondContact OD1-NZ 2.83Å; D1740-K1843 WeakPolarHBondContact OD2-CD 3.24Å; D1740-K1843 WeakPolarHBondContact OD2-CG 3.46Å; D1740-K1843 IonicContact OD2-NZ 2.95Å; D1740-K1843 PolarHBondContact OD2-NZ 2.84Å; V1838-K1843 CarbonylContact C-O 3.55Å; V1838-K1843 WeakPolarHBondContact CA-O 3.26Å; N1839-K1843 VanDerWaalsContact CG-O 3.23Å; N1839-K1843 PolarHBondContact N-O 3.48Å; N1839-K1843 PolarHBondContact ND2-O 3.5Å; N1839-K1843 PolarHBondContact OD1-N 3.18Å; N1839-K1843 PolarHBondContact OD1-O 2.96Å; N1841-K1843 VanDerWaalsContact C-N 3.27Å; N1841-K1843 PolarHBondContact O-N 3.34Å
1844	V	93.8	Very high	91	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.024	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	142.8	178.9	70.7	0	0	0	0	113.1	D1740 I1836 A1877 V1880	D1740-V1844 PolarHBondContact O-N 3.49Å; I1836-V1844 HydrophobicContact CG2-CB 4.14Å; I1836-V1844 HydrophobicContact CG2-CG2 3.48Å; I1836-V1844 VanDerWaalsContact CG2-CG2 3.48Å; V1844-A1877 HydrophobicContact CG2-CB 4.46Å; V1844-V1880 HydrophobicContact CG2-CG2 3.75Å
1845	S	93.6	Very high	90.6	Very high	44 Å²	44	44 Å²	44	31%	0.308	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	-19.1	177.8	67.4	0	0	0	0	113.1	E1837 A1877	E1837-S1845 PolarHBondContact O-N 3.09Å; E1837-S1845 PolarHBondContact O-OG 2.8Å; S1845-A1877 CarbonylContact C-O 3.57Å; S1845-A1877 WeakPolarHBondContact CA-O 3.44Å; S1845-A1877 PolarHBondContact N-O 3.38Å; S1845-A1877 PolarHBondContact O-N 2.82Å
1846	G	94.4	Very high	89.9	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.2	177.4	174.9	0	0	0	0	0	112.6	E1837 V1875 A1877	E1837-G1846 PolarHBondContact N-O 2.82Å; E1837-G1846 PolarHBondContact O-N 2.9Å; E1837-G1846 VanDerWaalsContact O-N 3.17Å; G1846-V1875 CarbonylContact C-O 3.54Å; G1846-V1875 WeakPolarHBondContact CA-O 3.41Å; G1846-A1877 PolarHBondContact N-O 3.49Å
1847	V	94.7	Very high	89.1	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.2	169.7	-178.4	0	0	0	0	108.1	V1776 L1778 P1833 I1836 M1849 I1874 V1875 A1877 V1880	V1776-V1847 HydrophobicContact CB-CG2 4.32Å; V1776-V1847 HydrophobicContact CG1-CG2 4.11Å; L1778-V1847 HydrophobicContact CD1-CG1 4.33Å; L1778-V1847 HydrophobicContact CD2-CG1 4.14Å; P1833-V1847 HydrophobicContact CB-CG1 3.89Å; I1836-V1847 HydrophobicContact CD1-CG1 4.25Å; I1836-V1847 HydrophobicContact CD1-CG2 3.99Å; V1847-M1849 HydrophobicContact CB-CE 3.95Å; V1847-M1849 HydrophobicContact CG1-CE 3.87Å; V1847-M1849 HydrophobicContact CG1-CG 3.97Å; V1847-M1849 PolarHBondContact O-N 2.87Å; V1847-I1874 WeakPolarHBondContact O-CA 3.4Å; V1847-V1875 PolarHBondContact N-O 3.21Å; V1847-V1875 PolarHBondContact O-N 3.44Å; V1847-A1877 HydrophobicContact CG2-CB 4.43Å; V1847-V1880 HydrophobicContact CG2-CG1 4.29Å; V1847-V1880 HydrophobicContact CG2-CG2 3.46Å; V1847-V1880 VanDerWaalsContact CG2-CG2 3.46Å
1848	K	94.7	Very high	88.2	Confident	79 Å²	79	55.1 Å²	55.1	34%	0.343	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	119.4	171	-172.1	177.7	-175.1	172.8	0	108.4	L1834 G1835 E1837	L1834-K1848 HydrophobicContact CB-CG 4.48Å; L1834-K1848 PolarHBondContact N-O 2.87Å; G1835-K1848 PolarHBondContact N-O 2.83Å; G1835-K1848 PolarHBondContact O-N 2.8Å; E1837-K1848 HydrophobicContact CG-CB 4.18Å
1849	M	94.3	Very high	87.2	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	155.9	-178.4	-61.8	-169.3	-174.6	0	0	110.8	V1776 L1778 A1802 V1831 Q1832 V1847 E1872 H1873 V1875	V1776-M1849 HydrophobicContact CG1-CE 3.72Å; L1778-M1849 HydrophobicContact CD2-CE 3.89Å; A1802-M1849 HydrophobicContact CB-CE 3.53Å; A1802-M1849 HydrophobicContact CB-SD 3.95Å; V1831-M1849 HydrophobicContact CB-SD 4.24Å; V1831-M1849 HydrophobicContact CG2-SD 3.93Å; Q1832-M1849 CarbonylContact O-C 3.56Å; Q1832-M1849 WeakPolarHBondContact O-CA 3.36Å; V1847-M1849 HydrophobicContact CB-CE 3.95Å; V1847-M1849 HydrophobicContact CG1-CE 3.87Å; V1847-M1849 HydrophobicContact CG1-CG 3.97Å; V1847-M1849 PolarHBondContact O-N 2.87Å; M1849-E1872 CarbonylContact O-C 3.57Å; M1849-E1872 VanDerWaalsContact O-CA 3.28Å; M1849-E1872 WeakPolarHBondContact O-CA 3.33Å; M1849-H1873 PolarHBondContact N-O 2.85Å; M1849-H1873 PolarHBondContact O-N 3.18Å; M1849-V1875 HydrophobicContact CE-CB 3.97Å; M1849-V1875 HydrophobicContact CE-CG1 4.46Å; M1849-V1875 HydrophobicContact CE-CG2 3.86Å; M1849-V1875 HydrophobicContact CG-CG2 4.22Å; M1849-V1875 HydrophobicContact SD-CB 4.34Å; M1849-V1875 HydrophobicContact SD-CG2 3.58Å; M1849-V1875 VanDerWaalsContact SD-CG2 3.58Å
1850	V	93.9	Very high	85.8	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	147.9	170.8	70.8	0	0	0	0	109.3	V1831 Q1832 L1834 I1867 V1868 S1871 E1872	V1831-V1850 CarbonylContact C-O 3.5Å; V1831-V1850 VanDerWaalsContact CA-O 3.31Å; V1831-V1850 WeakPolarHBondContact CA-O 3.36Å; Q1832-V1850 HydrophobicContact CB-CG1 4.34Å; Q1832-V1850 PolarHBondContact N-O 3.2Å; Q1832-V1850 PolarHBondContact O-N 3.49Å; L1834-V1850 HydrophobicContact CD1-CB 3.84Å; L1834-V1850 HydrophobicContact CD1-CG1 4.11Å; L1834-V1850 HydrophobicContact CD2-CG1 3.88Å; L1834-V1850 HydrophobicContact CG-CB 4.06Å; L1834-V1850 HydrophobicContact CG-CG1 3.88Å; V1850-I1867 HydrophobicContact CB-CG2 4.33Å; V1850-I1867 HydrophobicContact CG1-CD1 4.38Å; V1850-I1867 HydrophobicContact CG1-CG1 4.17Å; V1850-I1867 HydrophobicContact CG1-CG2 3.75Å; V1850-I1867 HydrophobicContact CG2-CG2 3.62Å; V1850-V1868 WeakPolarHBondContact CG2-O 3.4Å; V1850-S1871 VanDerWaalsContact CG2-OG 3.24Å; V1850-S1871 WeakPolarHBondContact CG2-OG 3.29Å; V1850-E1872 HydrophobicContact CB-CG 4.45Å; V1850-E1872 HydrophobicContact CG2-CG 4.16Å
1851	R	94.1	Very high	85	Confident	116 Å²	116	62.1 Å²	62.1	44%	0.438	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	144.6	174.9	-161.1	177.8	79.4	-141	8.5	110	N1830 E1853 V1868 S1871	N1830-R1851 CarbonylContact O-C 3.57Å; N1830-R1851 WeakPolarHBondContact O-CA 3.17Å; N1830-R1851 WeakPolarHBondContact O-CG 3.43Å; R1851-E1853 IonicContact CZ-OE1 3.74Å; R1851-E1853 IonicContact NE-OE1 2.76Å; R1851-E1853 PolarHBondContact NE-OE1 3.14Å; R1851-E1853 IonicContact NH2-OE1 2.72Å; R1851-E1853 PolarHBondContact NH2-OE1 3.5Å; R1851-V1868 HydrophobicContact CB-CB 4.32Å; R1851-V1868 HydrophobicContact CB-CG2 4.43Å; R1851-V1868 PolarHBondContact O-N 2.82Å; R1851-S1871 VanDerWaalsContact CB-OG 3.23Å; R1851-S1871 WeakPolarHBondContact CB-OG 3.46Å; R1851-S1871 PolarHBondContact N-OG 2.98Å
1852	T	91.9	Very high	84.4	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.006	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	154	172.8	54.3	0	0	0	0	111.2	R1804 N1830 Q1832 A1865 E1866 I1867	R1804-T1852 PolarHBondContact O-OG1 2.92Å; N1830-T1852 WeakPolarHBondContact CA-OG1 3.35Å; N1830-T1852 WeakPolarHBondContact CB-O 3.14Å; N1830-T1852 PolarHBondContact O-N 2.8Å; N1830-T1852 PolarHBondContact O-OG1 3.13Å; Q1832-T1852 HydrophobicContact CB-CG2 3.73Å; T1852-A1865 HydrophobicContact CG2-CB 4.4Å; T1852-E1866 CarbonylContact C-O 3.51Å; T1852-E1866 WeakPolarHBondContact CA-O 3.45Å; T1852-E1866 WeakPolarHBondContact CB-O 3.41Å; T1852-I1867 HydrophobicContact CG2-CG1 4.35Å
1853	E	88.7	Confident	84.1	Confident	102 Å²	102	65.1 Å²	65.1	48%	0.477	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	158.1	172.1	-75.6	170.3	-158.6	0	0	109.7	R1851 G1855 E1866 V1868	R1851-E1853 IonicContact CZ-OE1 3.74Å; R1851-E1853 IonicContact NE-OE1 2.76Å; R1851-E1853 PolarHBondContact NE-OE1 3.14Å; R1851-E1853 IonicContact NH2-OE1 2.72Å; R1851-E1853 PolarHBondContact NH2-OE1 3.5Å; E1853-G1855 PolarHBondContact O-N 3.42Å; E1853-E1866 PolarHBondContact N-O 3.35Å; E1853-E1866 PolarHBondContact O-N 3.07Å; E1853-V1868 HydrophobicContact CB-CG2 4.24Å; E1853-V1868 HydrophobicContact CG-CG2 3.68Å; E1853-V1868 WeakPolarHBondContact OE1-CG2 3.14Å
1854	M	87.4	Confident	83.6	Confident	32 Å²	32	70 Å²	70	16%	0.158	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	102.9	-170	-62.5	-58.5	-61.7	0	0	110.7	R1805 D1806 N1809 R1863	R1805-M1854 HydrophobicContact CB-CE 3.9Å; R1805-M1854 HydrophobicContact CB-SD 3.6Å; R1805-M1854 VanDerWaalsContact CB-SD 3.6Å; R1805-M1854 HydrophobicContact CG-CE 3.77Å; R1805-M1854 HydrophobicContact CG-SD 3.74Å; D1806-M1854 WeakPolarHBondContact OD2-CG 3.28Å; N1809-M1854 HydrophobicContact CB-CE 4.43Å; M1854-R1863 HydrophobicContact CE-CB 3.43Å; M1854-R1863 VanDerWaalsContact CE-CB 3.43Å; M1854-R1863 PolarHBondContact O-NH2 2.8Å
1855	G	81	Confident	83.1	Confident	12 Å²	12	70.8 Å²	70.8	12%	0.124	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	-167.1	173.1	0	0	0	0	0	113.3	E1853 R1863 R1864	E1853-G1855 PolarHBondContact O-N 3.42Å; G1855-R1863 PolarHBondContact O-NE 2.87Å; G1855-R1863 PolarHBondContact O-NH2 3.17Å; G1855-R1864 PolarHBondContact N-O 3.05Å
1856	E	78.3	Confident	82.8	Confident	154 Å²	154	73.5 Å²	73.5	72%	0.72	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.3	152.4	178.4	-68.1	-58.6	139.1	0	0	112.7	R1864	E1856-R1864 PolarHBondContact O-N 2.69Å; E1856-R1864 VanDerWaalsContact O-N 3.07Å
1857	P	75.1	Confident	82.5	Confident	70 Å²	70	77.9 Å²	77.9	46%	0.455	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	139.5	170.1	28.1	-32.1	0	0	0	112.1	R1863	P1857-R1863 HydrophobicContact CB-CG 4.16Å
1858	D	74.1	Confident	82.2	Confident	80 Å²	80	79.4 Å²	79.4	43%	0.428	40%	0.398	S	S	.	.			trans	-71.9	176.7	168.4	72.3	13.8	0	0	0	112.2	K1860 G1861 R1862	D1858-K1860 PolarHBondContact O-N 3.39Å; D1858-K1860 VanDerWaalsContact OD1-C 3.28Å; D1858-K1860 VanDerWaalsContact OD1-CA 3.27Å; D1858-K1860 WeakPolarHBondContact OD1-CA 3.36Å; D1858-K1860 WeakPolarHBondContact OD1-CB 3.42Å; D1858-K1860 PolarHBondContact OD1-N 3.49Å; D1858-G1861 PolarHBondContact O-N 3.13Å; D1858-G1861 PolarHBondContact OD1-N 2.92Å; D1858-R1862 PolarHBondContact N-O 2.9Å; D1858-R1862 WeakPolarHBondContact OD1-CB 3.38Å; D1858-R1862 PolarHBondContact OD1-N 2.85Å
1859	A	71.1	Confident	81.7	Confident	114 Å²	114	79.9 Å²	79.9	94%	0.942	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-4.4	177.8	0	0	0	0	0	114.8
1860	K	60.8	Low	81.3	Confident	178 Å²	178	83.1 Å²	83.1	77%	0.774	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	15.7	172.4	-60.2	-174.8	177.8	-175.5	0	111.9	D1858 R1862	D1858-K1860 PolarHBondContact O-N 3.39Å; D1858-K1860 VanDerWaalsContact OD1-C 3.28Å; D1858-K1860 VanDerWaalsContact OD1-CA 3.27Å; D1858-K1860 WeakPolarHBondContact OD1-CA 3.36Å; D1858-K1860 WeakPolarHBondContact OD1-CB 3.42Å; D1858-K1860 PolarHBondContact OD1-N 3.49Å; K1860-R1862 PolarHBondContact O-N 2.85Å
1861	G	66.4	Low	81.2	Confident	54 Å²	54	84.1 Å²	84.1	56%	0.557	46%	0.456	S	S	*	.	S	Bend	trans	74.5	4	-179.2	0	0	0	0	0	114.8	D1858 R1863	D1858-G1861 PolarHBondContact O-N 3.13Å; D1858-G1861 PolarHBondContact OD1-N 2.92Å; G1861-R1863 PolarHBondContact O-N 3.07Å
1862	R	69.5	Low	81.1	Confident	155 Å²	155	83 Å²	83	59%	0.585	46%	0.456	S	S	*	.			trans	-88.9	113.1	-174.9	-61.1	177.2	171.9	-167.6	-3.3	109.9	D1858 K1860 R1864	D1858-R1862 PolarHBondContact N-O 2.9Å; D1858-R1862 WeakPolarHBondContact OD1-CB 3.38Å; D1858-R1862 PolarHBondContact OD1-N 2.85Å; K1860-R1862 PolarHBondContact O-N 2.85Å; R1862-R1864 PolarHBondContact O-N 2.98Å
1863	R	78	Confident	81.1	Confident	98 Å²	98	86.5 Å²	86.5	37%	0.37	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	132.1	177	-65.3	-172.5	72.5	171.6	5.7	112.4	R1805 M1854 G1855 P1857 G1861	R1805-R1863 PolarHBondContact NE-O 2.95Å; R1805-R1863 PolarHBondContact NH2-O 3.45Å; M1854-R1863 HydrophobicContact CE-CB 3.43Å; M1854-R1863 VanDerWaalsContact CE-CB 3.43Å; M1854-R1863 PolarHBondContact O-NH2 2.8Å; G1855-R1863 PolarHBondContact O-NE 2.87Å; G1855-R1863 PolarHBondContact O-NH2 3.17Å; P1857-R1863 HydrophobicContact CB-CG 4.16Å; G1861-R1863 PolarHBondContact O-N 3.07Å
1864	R	80	Confident	81.3	Confident	177 Å²	177	86.3 Å²	86.3	67%	0.668	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	140.8	177.9	-167	175.8	-176.4	172.9	0.1	109.9	G1855 E1856 R1862 E1866	G1855-R1864 PolarHBondContact N-O 3.05Å; E1856-R1864 PolarHBondContact O-N 2.69Å; E1856-R1864 VanDerWaalsContact O-N 3.07Å; R1862-R1864 PolarHBondContact O-N 2.98Å; R1864-E1866 HydrophobicContact CG-CG 4.46Å
1865	A	83.3	Confident	81.6	Confident	20 Å²	20	85.1 Å²	85.1	17%	0.165	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	124.5	168.5	0	0	0	0	0	108.5	R1804 R1805 T1852	R1804-A1865 HydrophobicContact CB-CB 4.44Å; R1804-A1865 HydrophobicContact CG-CB 4.39Å; R1804-A1865 WeakPolarHBondContact O-CB 3.42Å; R1805-A1865 HydrophobicContact CG-CB 4.39Å; T1852-A1865 HydrophobicContact CG2-CB 4.4Å
1866	E	87.1	Confident	82.2	Confident	102 Å²	102	87.9 Å²	87.9	48%	0.477	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.9	-178.5	-60.3	-169.7	169.9	0	0	109.7	T1852 E1853 R1864	T1852-E1866 CarbonylContact C-O 3.51Å; T1852-E1866 WeakPolarHBondContact CA-O 3.45Å; T1852-E1866 WeakPolarHBondContact CB-O 3.41Å; E1853-E1866 PolarHBondContact N-O 3.35Å; E1853-E1866 PolarHBondContact O-N 3.07Å; R1864-E1866 HydrophobicContact CG-CG 4.46Å
1867	I	89	Confident	83	Confident	92 Å²	92	80.5 Å²	80.5	47%	0.472	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	128.6	-172.3	-67.1	173.4	0	0	0	110.4	V1850 T1852 A1869	V1850-I1867 HydrophobicContact CB-CG2 4.33Å; V1850-I1867 HydrophobicContact CG1-CD1 4.38Å; V1850-I1867 HydrophobicContact CG1-CG1 4.17Å; V1850-I1867 HydrophobicContact CG1-CG2 3.75Å; V1850-I1867 HydrophobicContact CG2-CG2 3.62Å; T1852-I1867 HydrophobicContact CG2-CG1 4.35Å; I1867-A1869 PolarHBondContact O-N 2.85Å
1868	V	88.6	Confident	84	Confident	32 Å²	32	79.6 Å²	79.6	19%	0.194	44%	0.44	C	S	.	.			trans	-83.9	101.9	171.3	-174.9	0	0	0	0	108.6	V1850 R1851 E1853 S1871	V1850-V1868 WeakPolarHBondContact CG2-O 3.4Å; R1851-V1868 HydrophobicContact CB-CB 4.32Å; R1851-V1868 HydrophobicContact CB-CG2 4.43Å; R1851-V1868 PolarHBondContact O-N 2.82Å; E1853-V1868 HydrophobicContact CB-CG2 4.24Å; E1853-V1868 HydrophobicContact CG-CG2 3.68Å; E1853-V1868 WeakPolarHBondContact OE1-CG2 3.14Å; V1868-S1871 WeakPolarHBondContact O-CB 3.38Å; V1868-S1871 PolarHBondContact O-N 2.83Å; V1868-S1871 PolarHBondContact O-OG 2.82Å
1869	A	83.4	Confident	85.1	Confident	89 Å²	89	75.8 Å²	75.8	74%	0.736	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	138.9	179.6	0	0	0	0	0	112.2	I1867	I1867-A1869 PolarHBondContact O-N 2.85Å
1870	G	85.9	Confident	86.2	Confident	67 Å²	67	70.3 Å²	70.3	69%	0.691	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	13.1	179.4	0	0	0	0	0	114.8	E1872	G1870-E1872 WeakPolarHBondContact CA-OE2 3.4Å; G1870-E1872 PolarHBondContact N-OE1 2.83Å; G1870-E1872 PolarHBondContact N-OE2 2.79Å
1871	S	91.1	Very high	87.9	Confident	21 Å²	21	61.9 Å²	61.9	15%	0.147	34%	0.338	C	S	.	.			trans	-106.6	19.2	178.3	70.8	0	0	0	0	113.7	V1850 R1851 V1868 H1873	V1850-S1871 VanDerWaalsContact CG2-OG 3.24Å; V1850-S1871 WeakPolarHBondContact CG2-OG 3.29Å; R1851-S1871 VanDerWaalsContact CB-OG 3.23Å; R1851-S1871 WeakPolarHBondContact CB-OG 3.46Å; R1851-S1871 PolarHBondContact N-OG 2.98Å; V1868-S1871 WeakPolarHBondContact O-CB 3.38Å; V1868-S1871 PolarHBondContact O-N 2.83Å; V1868-S1871 PolarHBondContact O-OG 2.82Å; S1871-H1873 PolarHBondContact O-ND1 3.24Å
1872	E	91.6	Very high	89.2	Confident	94 Å²	94	60.1 Å²	60.1	44%	0.439	32%	0.316	S	S	.	.			trans	-68	130.9	-177.4	-56.4	77.8	-170.4	0	0	111.6	L1834 M1849 V1850 G1870	L1834-E1872 HydrophobicContact CD1-CG 3.89Å; M1849-E1872 CarbonylContact O-C 3.57Å; M1849-E1872 VanDerWaalsContact O-CA 3.28Å; M1849-E1872 WeakPolarHBondContact O-CA 3.33Å; V1850-E1872 HydrophobicContact CB-CG 4.45Å; V1850-E1872 HydrophobicContact CG2-CG 4.16Å; G1870-E1872 WeakPolarHBondContact CA-OE2 3.4Å; G1870-E1872 PolarHBondContact N-OE1 2.83Å; G1870-E1872 PolarHBondContact N-OE2 2.79Å
1873	H	93.6	Very high	90.3	Very high	74 Å²	74	53 Å²	53	34%	0.343	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	163.4	177.3	63.4	-77.5	0	0	0	110.7	M1849 S1871	M1849-H1873 PolarHBondContact N-O 2.85Å; M1849-H1873 PolarHBondContact O-N 3.18Å; S1871-H1873 PolarHBondContact O-ND1 3.24Å
1874	I	93.2	Very high	90.8	Very high	97 Å²	97	51.5 Å²	51.5	50%	0.497	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.4	-179.9	-61.4	169.8	0	0	0	109.6	E1837 V1847	E1837-I1874 HydrophobicContact CG-CD1 3.99Å; E1837-I1874 HydrophobicContact CG-CG1 4.14Å; E1837-I1874 HydrophobicContact CG-CG2 4.17Å; V1847-I1874 WeakPolarHBondContact O-CA 3.4Å
1875	V	93.4	Very high	91	Very high	8 Å²	8	44 Å²	44	5%	0.048	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	115.7	168.9	-179.5	0	0	0	0	108.4	V1776 K1828 G1846 V1847 M1849	V1776-V1875 HydrophobicContact CG2-CG1 3.9Å; K1828-V1875 HydrophobicContact CD-CG2 3.99Å; G1846-V1875 CarbonylContact C-O 3.54Å; G1846-V1875 WeakPolarHBondContact CA-O 3.41Å; V1847-V1875 PolarHBondContact N-O 3.21Å; V1847-V1875 PolarHBondContact O-N 3.44Å; M1849-V1875 HydrophobicContact CE-CB 3.97Å; M1849-V1875 HydrophobicContact CE-CG1 4.46Å; M1849-V1875 HydrophobicContact CE-CG2 3.86Å; M1849-V1875 HydrophobicContact CG-CG2 4.22Å; M1849-V1875 HydrophobicContact SD-CB 4.34Å; M1849-V1875 HydrophobicContact SD-CG2 3.58Å; M1849-V1875 VanDerWaalsContact SD-CG2 3.58Å
1876	P	93.6	Very high	91.1	Very high	69 Å²	69	44.5 Å²	44.5	45%	0.448	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	136.3	-176.9	-21.9	33.5	0	0	0	113.2
1877	A	95.5	Very high	91	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.26	C	S	.	.			trans	-148.7	134.7	-172.8	0	0	0	0	0	111.2	V1776 V1844 S1845 G1846 V1847 V1880	V1776-A1877 HydrophobicContact CB-CB 4.17Å; V1776-A1877 HydrophobicContact CG2-CB 3.65Å; V1844-A1877 HydrophobicContact CG2-CB 4.46Å; S1845-A1877 CarbonylContact C-O 3.57Å; S1845-A1877 WeakPolarHBondContact CA-O 3.44Å; S1845-A1877 PolarHBondContact N-O 3.38Å; S1845-A1877 PolarHBondContact O-N 2.82Å; G1846-A1877 PolarHBondContact N-O 3.49Å; V1847-A1877 HydrophobicContact CG2-CB 4.43Å; A1877-V1880 HydrophobicContact CB-CG2 3.93Å
1878	D	95	Very high	90.7	Very high	50 Å²	50	41.1 Å²	41.1	27%	0.267	24%	0.241	S	C	.	.	S	Bend	trans	-103.1	-12	171.3	-47.9	-58.7	0	0	0	111.8	K1773 R1774	K1773-D1878 HydrophobicContact CB-CB 4.06Å; K1773-D1878 HydrophobicContact CG-CB 4.32Å; R1774-D1878 VanDerWaalsContact CB-OD2 3.23Å; R1774-D1878 WeakPolarHBondContact CB-OD2 3.31Å; R1774-D1878 VanDerWaalsContact CG-OD2 3.29Å; R1774-D1878 WeakPolarHBondContact CG-OD2 3.44Å; R1774-D1878 IonicContact CZ-OD1 3.49Å; R1774-D1878 IonicContact CZ-OD2 2.64Å; R1774-D1878 PolarHBondContact N-OD2 3.02Å; R1774-D1878 IonicContact NE-OD1 2.65Å; R1774-D1878 PolarHBondContact NE-OD1 3.36Å; R1774-D1878 IonicContact NE-OD2 3.03Å; R1774-D1878 PolarHBondContact NE-OD2 3.05Å; R1774-D1878 IonicContact NH2-OD1 3.55Å; R1774-D1878 PolarHBondContact NH2-OD1 2.79Å; R1774-D1878 IonicContact NH2-OD2 2.68Å; R1774-D1878 PolarHBondContact O-N 2.7Å
1879	A	96.2	Very high	90.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	144.4	168.3	0	0	0	0	0	110	G1741 Y1743 M1770 K1773 R1774 V1775 V1776	G1741-A1879 CarbonylContact O-C 3.19Å; G1741-A1879 WeakPolarHBondContact O-CA 3.44Å; Y1743-A1879 HydrophobicContact CD2-CB 4.43Å; Y1743-A1879 HydrophobicContact CE2-CB 4.02Å; M1770-A1879 HydrophobicContact CE-CB 4.47Å; M1770-A1879 HydrophobicContact SD-CB 3.77Å; K1773-A1879 HydrophobicContact CD-CB 4.08Å; R1774-A1879 PolarHBondContact O-N 2.79Å; V1775-A1879 WeakPolarHBondContact CA-O 3.29Å; V1775-A1879 HydrophobicContact CG2-CB 4.44Å; V1776-A1879 PolarHBondContact N-O 3.14Å
1880	V	96.1	Very high	89.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	133.2	175.8	176.5	0	0	0	0	109.1	G1741 V1742 Y1743 V1776 L1778 I1836 V1844 V1847 A1877	G1741-V1880 PolarHBondContact O-N 2.76Å; V1742-V1880 CarbonylContact C-O 3.54Å; V1742-V1880 WeakPolarHBondContact CA-O 3.3Å; V1742-V1880 HydrophobicContact CG1-CB 4.39Å; V1742-V1880 HydrophobicContact CG1-CG1 4.37Å; V1742-V1880 HydrophobicContact CG2-CB 4.41Å; Y1743-V1880 PolarHBondContact N-O 2.86Å; V1776-V1880 HydrophobicContact CB-CG2 4.47Å; V1776-V1880 CarbonylContact O-C 3.43Å; V1776-V1880 VanDerWaalsContact O-CA 3.26Å; V1776-V1880 WeakPolarHBondContact O-CA 3.35Å; L1778-V1880 HydrophobicContact CD1-CG1 3.59Å; L1778-V1880 HydrophobicContact CG-CG1 3.87Å; I1836-V1880 HydrophobicContact CD1-CG1 4.1Å; I1836-V1880 HydrophobicContact CD1-CG2 4.47Å; V1844-V1880 HydrophobicContact CG2-CG2 3.75Å; V1847-V1880 HydrophobicContact CG2-CG1 4.29Å; V1847-V1880 HydrophobicContact CG2-CG2 3.46Å; V1847-V1880 VanDerWaalsContact CG2-CG2 3.46Å; A1877-V1880 HydrophobicContact CB-CG2 3.93Å
1881	I	95.3	Very high	89.2	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.9	176.9	-47.7	177.2	0	0	0	109.2	Y1743 A1745 F1748 M1770 V1775 V1776 V1777 L1778 C1787	Y1743-I1881 CarbonylContact O-C 3.32Å; Y1743-I1881 WeakPolarHBondContact O-CA 3.24Å; A1745-I1881 HydrophobicContact CB-CG2 4.04Å; F1748-I1881 HydrophobicContact CD1-CD1 3.91Å; F1748-I1881 HydrophobicContact CE1-CD1 3.81Å; F1748-I1881 HydrophobicContact CG-CD1 4.33Å; F1748-I1881 HydrophobicContact CZ-CD1 4.15Å; M1770-I1881 HydrophobicContact CE-CD1 3.94Å; M1770-I1881 HydrophobicContact CE-CG1 4.26Å; V1775-I1881 HydrophobicContact CG1-CD1 3.85Å; V1775-I1881 HydrophobicContact CG1-CG1 4.06Å; V1776-I1881 PolarHBondContact O-N 3.04Å; V1777-I1881 CarbonylContact C-O 3.59Å; V1777-I1881 WeakPolarHBondContact CA-O 3.46Å; V1777-I1881 HydrophobicContact CG2-CB 4.12Å; V1777-I1881 HydrophobicContact CG2-CD1 4.19Å; V1777-I1881 HydrophobicContact CG2-CG1 4.41Å; L1778-I1881 PolarHBondContact N-O 2.82Å; C1787-I1881 HydrophobicContact CB-CD1 4.34Å; C1787-I1881 HydrophobicContact CB-CG2 4.33Å
1882	M	93.9	Very high	88.3	Confident	17 Å²	17	50.4 Å²	50.4	8%	0.084	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	116	179	-63.3	-166.4	-69.7	0	0	111.3	E1737 V1742 Y1743 A1745 F1884	E1737-M1882 VanDerWaalsContact CD-SD 3.54Å; E1737-M1882 HydrophobicContact CG-CE 3.46Å; E1737-M1882 VanDerWaalsContact CG-CE 3.46Å; E1737-M1882 HydrophobicContact CG-SD 3.46Å; E1737-M1882 WeakPolarHBondContact CG-SD 3.45Å; E1737-M1882 WeakPolarHBondContact OE1-CE 3.5Å; V1742-M1882 HydrophobicContact CG1-CE 3.97Å; V1742-M1882 HydrophobicContact CG1-CG 4.18Å; V1742-M1882 HydrophobicContact CG1-SD 4.26Å; Y1743-M1882 PolarHBondContact O-N 2.86Å; A1745-M1882 WeakPolarHBondContact CB-O 3.42Å; A1745-M1882 PolarHBondContact N-O 2.98Å; M1882-F1884 HydrophobicContact CB-CD2 4.35Å; M1882-F1884 HydrophobicContact CB-CE2 4.3Å; M1882-F1884 HydrophobicContact CG-CE2 4.22Å; M1882-F1884 HydrophobicContact SD-CE2 3.98Å
1883	A	92.9	Very high	87.7	Confident	6 Å²	6	48 Å²	48	5%	0.05	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	48.8	-178.5	0	0	0	0	0	110.9	A1745 V1777 L1778 T1783 A1784	A1745-A1883 HydrophobicContact CB-CB 3.91Å; V1777-A1883 HydrophobicContact CG1-CB 4.12Å; L1778-A1883 CarbonylContact O-C 3.55Å; L1778-A1883 WeakPolarHBondContact O-CA 3.18Å; L1778-A1883 PolarHBondContact O-N 3.27Å; T1783-A1883 HydrophobicContact CG2-CB 4.4Å; A1784-A1883 HydrophobicContact CB-CB 3.93Å
1884	F	88.1	Confident	86.9	Confident	66 Å²	66	44.5 Å²	44.5	29%	0.289	22%	0.222	S	C	.	.	S	Bend	trans	-80.2	-15.5	-178.4	-60.3	-41.7	0	0	0	114.4	M1730 L1734 L1778 P1833 M1882	M1730-F1884 WeakPolarHBondContact CE-O 3.39Å; L1734-F1884 HydrophobicContact CD1-CE2 4.42Å; L1734-F1884 HydrophobicContact CD1-CZ 4.33Å; L1778-F1884 HydrophobicContact CB-CE1 3.73Å; L1778-F1884 HydrophobicContact CB-CZ 3.7Å; L1778-F1884 HydrophobicContact CD1-CZ 4.33Å; P1833-F1884 HydrophobicContact CG-CZ 4.2Å; M1882-F1884 HydrophobicContact CB-CD2 4.35Å; M1882-F1884 HydrophobicContact CB-CE2 4.3Å; M1882-F1884 HydrophobicContact CG-CE2 4.22Å; M1882-F1884 HydrophobicContact SD-CE2 3.98Å
1885	G	84.2	Confident	85.9	Confident	20 Å²	20	43.7 Å²	43.7	21%	0.206	23%	0.23	C	C	.	.			trans	121.9	-173.3	179.7	0	0	0	0	0	112.6	M1730	M1730-G1885 PolarHBondContact N-O 2.97Å
1886	F	86.2	Confident	85.2	Confident	30 Å²	30	51.3 Å²	51.3	13%	0.132	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	160.7	-172.1	-48.4	-73	0	0	0	112.3	Q1728 L1746 T1783	Q1728-F1886 CarbonylContact O-C 3.54Å; Q1728-F1886 VanDerWaalsContact O-CA 3.26Å; Q1728-F1886 WeakPolarHBondContact O-CA 3.29Å; L1746-F1886 HydrophobicContact CB-CD1 4.29Å; L1746-F1886 HydrophobicContact CB-CE1 3.4Å; L1746-F1886 VanDerWaalsContact CB-CE1 3.4Å; L1746-F1886 HydrophobicContact CB-CZ 3.74Å; L1746-F1886 HydrophobicContact CD2-CD1 4.16Å; L1746-F1886 HydrophobicContact CD2-CE1 4.02Å; L1746-F1886 HydrophobicContact CD2-CZ 4.48Å; L1746-F1886 HydrophobicContact CG-CE1 4.28Å; T1783-F1886 HydrophobicContact CG2-CE2 4.09Å; T1783-F1886 HydrophobicContact CG2-CZ 3.8Å
1887	R	84.3	Confident	84.7	Confident	112 Å²	112	48.9 Å²	48.9	42%	0.423	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	163.5	172.5	69	179.6	-173.1	-157.8	-6	110.8	Q1728	Q1728-R1887 HydrophobicContact CB-CG 3.99Å; Q1728-R1887 HydrophobicContact CG-CG 4.39Å; Q1728-R1887 PolarHBondContact N-O 3.24Å; Q1728-R1887 VanDerWaalsContact N-O 3.14Å; Q1728-R1887 PolarHBondContact O-N 2.92Å
1888	P	82.2	Confident	84.1	Confident	12 Å²	12	53.1 Å²	53.1	8%	0.078	28%	0.275	C	S	.	.			trans	-55.1	147.6	171.2	-27	37.3	0	0	0	112.2	T1726 G1905 R1906 I1930	T1726-P1888 HydrophobicContact CG2-CG 4.04Å; P1888-G1905 WeakPolarHBondContact CB-O 3.41Å; P1888-G1905 WeakPolarHBondContact CG-O 2.76Å; P1888-R1906 HydrophobicContact CG-CG 3.82Å; P1888-I1930 HydrophobicContact CB-CD1 3.71Å; P1888-I1930 HydrophobicContact CG-CD1 3.9Å
1889	H	78.3	Confident	83.7	Confident	103 Å²	103	51.2 Å²	51.2	48%	0.477	27%	0.265	S	S	.	.			trans	-72.1	150.5	163.2	-87.2	-90.3	0	0	0	110	Q1728 M1891	Q1728-H1889 PolarHBondContact N-NE2 3.42Å; H1889-M1891 PolarHBondContact O-N 2.73Å
1890	N	72.1	Confident	83.4	Confident	127 Å²	127	57 Å²	57	68%	0.679	29%	0.292	S	S	*	.			trans	-67.4	101.4	168.8	-173.6	25.3	0	0	0	109.7	E1892	N1890-E1892 PolarHBondContact O-N 2.8Å
1891	M	76	Confident	83	Confident	27 Å²	27	60.6 Å²	60.6	13%	0.133	31%	0.311	C	S	.	.			trans	-97	82.2	179.6	-70.4	176.7	-76.1	0	0	109.4	V1724 H1889 W1893 L1894 I1930	V1724-M1891 HydrophobicContact CG2-CE 3.83Å; V1724-M1891 HydrophobicContact CG2-SD 3.89Å; H1889-M1891 PolarHBondContact O-N 2.73Å; M1891-W1893 HydrophobicContact CB-CD2 4.44Å; M1891-W1893 HydrophobicContact CB-CZ2 4.24Å; M1891-W1893 HydrophobicContact CG-CZ2 4.13Å; M1891-W1893 PolarHBondContact O-N 3.23Å; M1891-W1893 HydrophobicContact SD-CH2 4.25Å; M1891-W1893 HydrophobicContact SD-CZ2 3.62Å; M1891-L1894 HydrophobicContact CB-CD1 3.86Å; M1891-L1894 HydrophobicContact CB-CG 4.02Å; M1891-L1894 HydrophobicContact CE-CD1 3.66Å; M1891-L1894 WeakPolarHBondContact O-CB 3.31Å; M1891-L1894 PolarHBondContact O-N 2.72Å; M1891-L1894 HydrophobicContact SD-CD1 4.2Å; M1891-I1930 HydrophobicContact CE-CD1 3.55Å; M1891-I1930 HydrophobicContact CE-CG1 4.25Å
1892	E	73	Confident	82.6	Confident	147 Å²	147	62.6 Å²	62.6	69%	0.687	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-24	-176.3	-62.9	-172.8	165.9	0	0	114.1	N1890	N1890-E1892 PolarHBondContact O-N 2.8Å
1893	W	78.5	Confident	82.1	Confident	42 Å²	42	67.8 Å²	67.8	16%	0.159	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-33.6	175.5	52	-95.3	0	0	0	113.2	L1710 L1722 M1891 A1895 K1896 H1897	L1710-W1893 HydrophobicContact CB-CE3 4.19Å; L1710-W1893 HydrophobicContact CB-CZ3 4.44Å; L1710-W1893 HydrophobicContact CD1-CZ3 4.21Å; L1710-W1893 HydrophobicContact CD2-CE3 3.9Å; L1710-W1893 HydrophobicContact CD2-CZ3 3.81Å; L1710-W1893 HydrophobicContact CG-CE3 4.49Å; L1710-W1893 HydrophobicContact CG-CZ3 4.37Å; L1722-W1893 HydrophobicContact CD2-CH2 4.27Å; L1722-W1893 HydrophobicContact CD2-CZ3 4.44Å; M1891-W1893 HydrophobicContact CB-CD2 4.44Å; M1891-W1893 HydrophobicContact CB-CZ2 4.24Å; M1891-W1893 HydrophobicContact CG-CZ2 4.13Å; M1891-W1893 PolarHBondContact O-N 3.23Å; M1891-W1893 HydrophobicContact SD-CH2 4.25Å; M1891-W1893 HydrophobicContact SD-CZ2 3.62Å; W1893-A1895 VanDerWaalsContact C-N 3.27Å; W1893-A1895 PolarHBondContact O-N 2.76Å; W1893-K1896 WeakPolarHBondContact O-CB 3.42Å; W1893-K1896 PolarHBondContact O-N 3.14Å; W1893-K1896 VanDerWaalsContact O-N 3.13Å; W1893-H1897 PolarHBondContact O-CD2 2.83Å; W1893-H1897 PolarHBondContact O-NE2 3.33Å
1894	L	77.4	Confident	81.4	Confident	1 Å²	1	73.5 Å²	73.5	1%	0.005	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-59.6	-37.5	179.1	-72.6	175.7	0	0	0	112.9	L1722 M1891 K1896 H1897 V1899 L1901 I1907	L1722-L1894 HydrophobicContact CD1-CD2 3.67Å; M1891-L1894 HydrophobicContact CB-CD1 3.86Å; M1891-L1894 HydrophobicContact CB-CG 4.02Å; M1891-L1894 HydrophobicContact CE-CD1 3.66Å; M1891-L1894 WeakPolarHBondContact O-CB 3.31Å; M1891-L1894 PolarHBondContact O-N 2.72Å; M1891-L1894 HydrophobicContact SD-CD1 4.2Å; L1894-K1896 PolarHBondContact O-N 2.49Å; L1894-K1896 VanDerWaalsContact O-N 3.15Å; L1894-H1897 PolarHBondContact O-N 3.42Å; L1894-H1897 VanDerWaalsContact O-N 3.08Å; L1894-V1899 HydrophobicContact CB-CB 4.45Å; L1894-V1899 HydrophobicContact CD2-CB 4.39Å; L1894-V1899 HydrophobicContact CD2-CG1 4.39Å; L1894-V1899 HydrophobicContact CD2-CG2 4.34Å; L1894-L1901 HydrophobicContact CD1-CD2 4.29Å; L1894-I1907 HydrophobicContact CD1-CD1 3.89Å; L1894-I1907 HydrophobicContact CD1-CG1 4.12Å; L1894-I1907 HydrophobicContact CD2-CD1 4.47Å
1895	A	71.4	Confident	81.2	Confident	81 Å²	81	71.6 Å²	71.6	67%	0.669	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-61.4	-23.5	-179.6	0	0	0	0	0	113.2	W1893	W1893-A1895 VanDerWaalsContact C-N 3.27Å; W1893-A1895 PolarHBondContact O-N 2.76Å
1896	K	78.6	Confident	81.4	Confident	167 Å²	167	73.6 Å²	73.6	73%	0.726	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-76.3	-20.7	177.8	-63.7	-178.7	-178.4	174.7	0	113.6	W1893 L1894	W1893-K1896 WeakPolarHBondContact O-CB 3.42Å; W1893-K1896 PolarHBondContact O-N 3.14Å; W1893-K1896 VanDerWaalsContact O-N 3.13Å; L1894-K1896 PolarHBondContact O-N 2.49Å; L1894-K1896 VanDerWaalsContact O-N 3.15Å
1897	H	83.4	Confident	81.7	Confident	18 Å²	18	72.4 Å²	72.4	8%	0.083	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-109.8	20.8	-171.5	-50.2	-70.9	0	0	0	113.3	L1710 D1711 W1893 L1894 V1899 N1921 I1924	L1710-H1897 HydrophobicContact CD2-CB 4.32Å; L1710-H1897 VanDerWaalsContact CD2-CD2 3.4Å; L1710-H1897 WeakPolarHBondContact CD2-CD2 3.27Å; D1711-H1897 IonicContact OD1-CE1 3.78Å; D1711-H1897 PolarHBondContact OD1-CE1 3.48Å; D1711-H1897 IonicContact OD1-ND1 3.92Å; D1711-H1897 IonicContact OD2-CE1 2.81Å; W1893-H1897 PolarHBondContact O-CD2 2.83Å; W1893-H1897 PolarHBondContact O-NE2 3.33Å; L1894-H1897 PolarHBondContact O-N 3.42Å; L1894-H1897 VanDerWaalsContact O-N 3.08Å; H1897-V1899 VanDerWaalsContact C-N 3.29Å; H1897-V1899 PolarHBondContact O-N 2.89Å; H1897-N1921 WeakPolarHBondContact O-CB 3.39Å; H1897-N1921 PolarHBondContact O-ND2 2.65Å; H1897-I1924 HydrophobicContact CB-CD1 4.24Å
1898	S	83.2	Confident	82	Confident	90 Å²	90	70.6 Å²	70.6	63%	0.629	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	36.6	179.6	-50.9	0	0	0	0	114.1	S1920	S1898-S1920 WeakPolarHBondContact O-CB 3.32Å; S1898-S1920 PolarHBondContact O-OG 3.09Å
1899	V	87.3	Confident	82.4	Confident	9 Å²	9	70.4 Å²	70.4	6%	0.055	38%	0.378	C	S	.	.			trans	-90.3	115.3	171.8	179	0	0	0	0	109	L1894 H1897 I1907 T1919 S1920 N1921 I1924	L1894-V1899 HydrophobicContact CB-CB 4.45Å; L1894-V1899 HydrophobicContact CD2-CB 4.39Å; L1894-V1899 HydrophobicContact CD2-CG1 4.39Å; L1894-V1899 HydrophobicContact CD2-CG2 4.34Å; H1897-V1899 VanDerWaalsContact C-N 3.29Å; H1897-V1899 PolarHBondContact O-N 2.89Å; V1899-I1907 HydrophobicContact CG1-CD1 4.39Å; V1899-I1907 HydrophobicContact CG1-CG1 4.15Å; V1899-I1907 HydrophobicContact CG1-CG2 3.71Å; V1899-T1919 HydrophobicContact CG1-CG2 4.36Å; V1899-S1920 WeakPolarHBondContact CA-OG 3.45Å; V1899-N1921 HydrophobicContact CG2-CB 4.35Å; V1899-I1924 HydrophobicContact CG2-CD1 3.82Å; V1899-I1924 HydrophobicContact CG2-CG2 4.39Å
1900	E	88.7	Confident	82.8	Confident	122 Å²	122	68.9 Å²	68.9	57%	0.57	38%	0.377	S	S	*	.			trans	-73.8	139.6	179.4	-72	-175.6	-178.2	0	0	112.2	I1908 S1920	E1900-I1908 HydrophobicContact CB-CB 4.34Å; E1900-I1908 HydrophobicContact CB-CD1 4.23Å; E1900-I1908 PolarHBondContact O-N 3.32Å; E1900-S1920 PolarHBondContact N-OG 3.1Å
1901	L	88.2	Confident	83.4	Confident	75 Å²	75	67 Å²	67	39%	0.393	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-119	145.7	177.9	-56.9	-178.6	0	0	0	110.5	L1894 R1906 I1907	L1894-L1901 HydrophobicContact CD1-CD2 4.29Å; L1901-R1906 CarbonylContact C-O 3.25Å; L1901-R1906 VanDerWaalsContact CA-O 3.24Å; L1901-R1906 WeakPolarHBondContact CA-O 3.4Å; L1901-I1907 HydrophobicContact CD2-CB 4.4Å; L1901-I1907 HydrophobicContact CD2-CG1 3.7Å
1902	D	87.1	Confident	83.4	Confident	42 Å²	42	69.8 Å²	69.8	23%	0.225	40%	0.4	C	S	.	.			trans	-80.1	177.2	174	89.5	-20.5	0	0	0	112.8	Q1904 G1905 R1906 I1908	D1902-Q1904 PolarHBondContact O-N 2.82Å; D1902-Q1904 VanDerWaalsContact OD1-CA 3.29Å; D1902-Q1904 WeakPolarHBondContact OD1-CA 3.34Å; D1902-Q1904 WeakPolarHBondContact OD1-CB 3.39Å; D1902-Q1904 PolarHBondContact OD1-N 3.45Å; D1902-G1905 PolarHBondContact O-N 3.03Å; D1902-G1905 PolarHBondContact OD1-N 2.89Å; D1902-R1906 PolarHBondContact N-O 3.07Å; D1902-R1906 WeakPolarHBondContact OD1-CB 3.33Å; D1902-R1906 PolarHBondContact OD1-N 3.07Å; D1902-R1906 IonicContact OD1-NE 3.34Å; D1902-R1906 IonicContact OD2-CZ 2.76Å; D1902-R1906 IonicContact OD2-NE 2.82Å; D1902-R1906 PolarHBondContact OD2-NE 2.77Å; D1902-R1906 IonicContact OD2-NH2 3.66Å; D1902-R1906 PolarHBondContact OD2-NH2 2.99Å; D1902-I1908 HydrophobicContact CB-CD1 4.41Å; D1902-I1908 HydrophobicContact CB-CG1 4.27Å
1903	S	83.1	Confident	83.5	Confident	127 Å²	127	64.8 Å²	64.8	89%	0.888	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-4.7	178.6	60	0	0	0	0	115.3
1904	Q	78.7	Confident	83.4	Confident	125 Å²	125	70 Å²	70	58%	0.584	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	4.1	176	-58.2	-167.6	-28.1	0	0	112.4	D1902	D1902-Q1904 PolarHBondContact O-N 2.82Å; D1902-Q1904 VanDerWaalsContact OD1-CA 3.29Å; D1902-Q1904 WeakPolarHBondContact OD1-CA 3.34Å; D1902-Q1904 WeakPolarHBondContact OD1-CB 3.39Å; D1902-Q1904 PolarHBondContact OD1-N 3.45Å
1905	G	83.3	Confident	83.9	Confident	27 Å²	27	71.1 Å²	71.1	28%	0.278	42%	0.419	S	S	.	.	S	Bend	trans	80.1	13.8	-178.6	0	0	0	0	0	114.5	P1888 D1902	P1888-G1905 WeakPolarHBondContact CB-O 3.41Å; P1888-G1905 WeakPolarHBondContact CG-O 2.76Å; D1902-G1905 PolarHBondContact O-N 3.03Å; D1902-G1905 PolarHBondContact OD1-N 2.89Å
1906	R	88.6	Confident	84.8	Confident	62 Å²	62	68.2 Å²	68.2	23%	0.234	39%	0.394	C	S	.	.			trans	-83.9	147.4	176.8	-62.1	176.7	-66.1	176	2.4	110.3	P1888 L1901 D1902 I1930 R1932	P1888-R1906 HydrophobicContact CG-CG 3.82Å; L1901-R1906 CarbonylContact C-O 3.25Å; L1901-R1906 VanDerWaalsContact CA-O 3.24Å; L1901-R1906 WeakPolarHBondContact CA-O 3.4Å; D1902-R1906 PolarHBondContact N-O 3.07Å; D1902-R1906 WeakPolarHBondContact OD1-CB 3.33Å; D1902-R1906 PolarHBondContact OD1-N 3.07Å; D1902-R1906 IonicContact OD1-NE 3.34Å; D1902-R1906 IonicContact OD2-CZ 2.76Å; D1902-R1906 IonicContact OD2-NE 2.82Å; D1902-R1906 PolarHBondContact OD2-NE 2.77Å; D1902-R1906 IonicContact OD2-NH2 3.66Å; D1902-R1906 PolarHBondContact OD2-NH2 2.99Å; R1906-I1930 CarbonylContact C-O 3.24Å; R1906-I1930 VanDerWaalsContact CA-O 3.27Å; R1906-I1930 WeakPolarHBondContact CA-O 3.33Å; R1906-I1930 VanDerWaalsContact CB-O 3.31Å; R1906-I1930 WeakPolarHBondContact CB-O 3.2Å; R1906-R1932 PolarHBondContact NH1-O 2.68Å
1907	I	91.3	Very high	85.5	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.021	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-72.5	133.8	178.4	-64.9	172.7	0	0	0	109.9	L1722 L1894 V1899 L1901 A1909 T1919 A1926 I1930 V1931	L1722-I1907 HydrophobicContact CB-CD1 4.28Å; L1722-I1907 HydrophobicContact CD1-CD1 3.69Å; L1894-I1907 HydrophobicContact CD1-CD1 3.89Å; L1894-I1907 HydrophobicContact CD1-CG1 4.12Å; L1894-I1907 HydrophobicContact CD2-CD1 4.47Å; V1899-I1907 HydrophobicContact CG1-CD1 4.39Å; V1899-I1907 HydrophobicContact CG1-CG1 4.15Å; V1899-I1907 HydrophobicContact CG1-CG2 3.71Å; L1901-I1907 HydrophobicContact CD2-CB 4.4Å; L1901-I1907 HydrophobicContact CD2-CG1 3.7Å; I1907-A1909 HydrophobicContact CG2-CB 4.47Å; I1907-A1909 PolarHBondContact O-N 2.88Å; I1907-T1919 HydrophobicContact CG2-CG2 3.64Å; I1907-A1926 HydrophobicContact CB-CB 4.17Å; I1907-A1926 HydrophobicContact CD1-CB 4.06Å; I1907-A1926 HydrophobicContact CG2-CB 3.67Å; I1907-I1930 HydrophobicContact CB-CG1 4.49Å; I1907-I1930 HydrophobicContact CD1-CG1 3.65Å; I1907-I1930 HydrophobicContact CG1-CG1 3.89Å; I1907-I1930 PolarHBondContact N-O 2.97Å; I1907-V1931 HydrophobicContact CB-CG2 4.38Å
1908	I	91	Very high	86.1	Confident	75 Å²	75	61.1 Å²	61.1	39%	0.385	36%	0.364	S	S	.	.			trans	-83.6	106.3	172.5	-58.1	-179.6	0	0	0	108.7	E1900 D1902	E1900-I1908 HydrophobicContact CB-CB 4.34Å; E1900-I1908 HydrophobicContact CB-CD1 4.23Å; E1900-I1908 PolarHBondContact O-N 3.32Å; D1902-I1908 HydrophobicContact CB-CD1 4.41Å; D1902-I1908 HydrophobicContact CB-CG1 4.27Å
1909	A	91.3	Very high	86.5	Confident	7 Å²	7	57.4 Å²	57.4	6%	0.058	34%	0.337	C	S	.	.			trans	-139.4	96.2	175.9	0	0	0	0	0	108.5	I1907 F1917 T1919 A1926 V1931	I1907-A1909 HydrophobicContact CG2-CB 4.47Å; I1907-A1909 PolarHBondContact O-N 2.88Å; A1909-F1917 WeakPolarHBondContact CB-O 3.19Å; A1909-T1919 HydrophobicContact CB-CG2 4.22Å; A1909-A1926 HydrophobicContact CB-CB 4.13Å; A1909-V1931 HydrophobicContact CB-CG1 4.39Å; A1909-V1931 HydrophobicContact CB-CG2 3.98Å
1910	P	86.7	Confident	86.6	Confident	71 Å²	71	59.6 Å²	59.6	46%	0.461	35%	0.353	S	S	.	.			trans	-70.7	141.5	-175.7	27.7	-34	0	0	0	112.5	S1913 F1917	P1910-S1913 PolarHBondContact O-OG 3.28Å; P1910-F1917 WeakPolarHBondContact O-CA 3.39Å; P1910-F1917 PolarHBondContact O-N 2.72Å
1911	E	84.1	Confident	86.8	Confident	88 Å²	88	55.2 Å²	55.2	41%	0.411	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-30.3	175.1	-179.7	173	-175.4	0	0	112.5	S1913 A1916 F1917 K1946	E1911-S1913 PolarHBondContact O-N 2.87Å; E1911-A1916 WeakPolarHBondContact O-CB 3.46Å; E1911-F1917 HydrophobicContact CB-CE1 4.39Å; E1911-F1917 HydrophobicContact CB-CE2 3.97Å; E1911-F1917 HydrophobicContact CB-CZ 3.78Å; E1911-F1917 HydrophobicContact CG-CE2 3.77Å; E1911-F1917 HydrophobicContact CG-CZ 3.9Å; E1911-K1946 WeakPolarHBondContact OE1-CD 3.37Å; E1911-K1946 IonicContact OE1-NZ 3.39Å; E1911-K1946 PolarHBondContact OE1-NZ 2.93Å
1912	G	75.7	Confident	86.8	Confident	86 Å²	86	54.9 Å²	54.9	89%	0.887	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	22.3	-170	0	0	0	0	0	116.6
1913	S	75.4	Confident	87.1	Confident	42 Å²	42	56.1 Å²	56.1	29%	0.294	34%	0.339	S	S	.	.	S	Bend	trans	-94	157.8	172.6	41.4	0	0	0	0	111.6	P1910 E1911 N1915 A1916	P1910-S1913 PolarHBondContact O-OG 3.28Å; E1911-S1913 PolarHBondContact O-N 2.87Å; S1913-N1915 CarbonylContact O-C 3.54Å; S1913-N1915 PolarHBondContact O-N 3.02Å; S1913-N1915 VanDerWaalsContact O-N 3.16Å; S1913-N1915 PolarHBondContact OG-O 2.95Å; S1913-A1916 PolarHBondContact O-N 3.36Å
1914	D	76.8	Confident	87.7	Confident	150 Å²	150	50 Å²	50	80%	0.802	30%	0.297	S	S	*	.	S	Bend	trans	-53.6	-37.1	177.5	-61.5	-33.3	0	0	0	112	N1953	D1914-N1953 PolarHBondContact O-ND2 3.41Å
1915	N	88.8	Confident	88.5	Confident	26 Å²	26	44.1 Å²	44.1	14%	0.139	27%	0.269	C	S	.	.	S	Bend	trans	-100.8	96.7	163.1	-51	-49.8	0	0	0	107.8	S1913 Q1918 F1925 W1954	S1913-N1915 CarbonylContact O-C 3.54Å; S1913-N1915 PolarHBondContact O-N 3.02Å; S1913-N1915 VanDerWaalsContact O-N 3.16Å; S1913-N1915 PolarHBondContact OG-O 2.95Å; N1915-Q1918 HydrophobicContact CB-CB 3.98Å; N1915-Q1918 HydrophobicContact CB-CG 4.48Å; N1915-Q1918 PolarHBondContact ND2-OE1 2.82Å; N1915-Q1918 WeakPolarHBondContact O-CB 3.2Å; N1915-Q1918 PolarHBondContact O-N 2.77Å; N1915-F1925 HydrophobicContact CB-CE1 3.98Å; N1915-F1925 HydrophobicContact CB-CZ 4.09Å; N1915-W1954 PolarHBondContact OD1-N 3.03Å
1916	A	88.9	Confident	89.1	Confident	19 Å²	19	42.8 Å²	42.8	16%	0.157	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	138.8	-179.3	0	0	0	0	0	111.1	E1911 S1913 Q1918 F1925	E1911-A1916 WeakPolarHBondContact O-CB 3.46Å; S1913-A1916 PolarHBondContact O-N 3.36Å; A1916-Q1918 PolarHBondContact O-N 2.82Å; A1916-F1925 WeakPolarHBondContact O-CD1 3.45Å
1917	F	94	Very high	89.3	Confident	4 Å²	4	39.9 Å²	39.9	2%	0.018	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	16.1	179.2	-64.9	-82.6	0	0	0	115.9	A1909 P1910 E1911 F1925 A1926 E1943 K1946 A1947	A1909-F1917 WeakPolarHBondContact CB-O 3.19Å; P1910-F1917 WeakPolarHBondContact O-CA 3.39Å; P1910-F1917 PolarHBondContact O-N 2.72Å; E1911-F1917 HydrophobicContact CB-CE1 4.39Å; E1911-F1917 HydrophobicContact CB-CE2 3.97Å; E1911-F1917 HydrophobicContact CB-CZ 3.78Å; E1911-F1917 HydrophobicContact CG-CE2 3.77Å; E1911-F1917 HydrophobicContact CG-CZ 3.9Å; F1917-F1925 VanDerWaalsContact O-CA 3.28Å; F1917-F1925 WeakPolarHBondContact O-CA 3.27Å; F1917-A1926 WeakPolarHBondContact CB-O 3.48Å; F1917-A1926 WeakPolarHBondContact CD1-O 3.46Å; F1917-A1926 PolarHBondContact O-N 2.84Å; F1917-E1943 HydrophobicContact CE1-CB 4.17Å; F1917-E1943 HydrophobicContact CE1-CG 4Å; F1917-E1943 HydrophobicContact CE2-CB 4.49Å; F1917-E1943 HydrophobicContact CZ-CB 3.97Å; F1917-E1943 HydrophobicContact CZ-CG 3.69Å; F1917-K1946 HydrophobicContact CD2-CB 3.98Å; F1917-K1946 HydrophobicContact CE2-CB 3.66Å; F1917-K1946 HydrophobicContact CE2-CD 4.19Å; F1917-A1947 HydrophobicContact CB-CB 3.74Å; F1917-A1947 HydrophobicContact CD2-CB 4.23Å; F1917-A1947 HydrophobicContact CG-CB 4.15Å
1918	Q	94.7	Very high	89.3	Confident	33 Å²	33	39.8 Å²	39.8	15%	0.154	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-67.1	136	168	-165.6	170.5	43	0	0	109.8	N1915 A1916 P1922 F1925	N1915-Q1918 HydrophobicContact CB-CB 3.98Å; N1915-Q1918 HydrophobicContact CB-CG 4.48Å; N1915-Q1918 PolarHBondContact ND2-OE1 2.82Å; N1915-Q1918 WeakPolarHBondContact O-CB 3.2Å; N1915-Q1918 PolarHBondContact O-N 2.77Å; A1916-Q1918 PolarHBondContact O-N 2.82Å; Q1918-P1922 PolarHBondContact NE2-O 3.48Å; Q1918-F1925 HydrophobicContact CB-CD1 4.01Å; Q1918-F1925 HydrophobicContact CB-CE1 3.6Å; Q1918-F1925 HydrophobicContact CB-CZ 3.92Å; Q1918-F1925 HydrophobicContact CG-CE1 4.06Å; Q1918-F1925 HydrophobicContact CG-CE2 4.19Å; Q1918-F1925 HydrophobicContact CG-CZ 3.84Å
1919	T	92.8	Very high	89.2	Confident	11 Å²	11	38 Å²	38	7%	0.067	24%	0.236	C	C	.	.			trans	-84	178.8	174.2	70.7	0	0	0	0	110.9	V1899 I1907 A1909 N1921 I1924 A1926	V1899-T1919 HydrophobicContact CG1-CG2 4.36Å; I1907-T1919 HydrophobicContact CG2-CG2 3.64Å; A1909-T1919 HydrophobicContact CB-CG2 4.22Å; T1919-N1921 PolarHBondContact O-N 2.86Å; T1919-N1921 PolarHBondContact OG1-N 2.95Å; T1919-N1921 VanDerWaalsContact OG1-N 3.16Å; T1919-N1921 PolarHBondContact OG1-O 3.16Å; T1919-N1921 VanDerWaalsContact OG1-O 3.1Å; T1919-I1924 WeakPolarHBondContact CB-O 3.17Å; T1919-I1924 HydrophobicContact CG2-CG2 4.02Å; T1919-I1924 WeakPolarHBondContact CG2-O 3.16Å; T1919-I1924 PolarHBondContact N-O 3.28Å; T1919-I1924 WeakPolarHBondContact OG1-CB 3.42Å; T1919-I1924 PolarHBondContact OG1-O 2.63Å; T1919-A1926 HydrophobicContact CG2-CB 3.89Å
1920	S	90.3	Very high	89.2	Confident	55 Å²	55	37.7 Å²	37.7	39%	0.385	23%	0.233	S	C	.	.	S	Bend	trans	-58.8	-12.2	168.5	50	0	0	0	0	114.5	S1898 V1899 E1900	S1898-S1920 WeakPolarHBondContact O-CB 3.32Å; S1898-S1920 PolarHBondContact O-OG 3.09Å; V1899-S1920 WeakPolarHBondContact CA-OG 3.45Å; E1900-S1920 PolarHBondContact N-OG 3.1Å
1921	N	91.3	Very high	89.4	Confident	31 Å²	31	35.5 Å²	35.5	17%	0.166	22%	0.218	C	C	.	.	S	Bend	trans	-100.9	120.9	165.1	-177.5	-38.6	0	0	0	109.8	H1897 V1899 T1919 K1923 I1924	H1897-N1921 WeakPolarHBondContact O-CB 3.39Å; H1897-N1921 PolarHBondContact O-ND2 2.65Å; V1899-N1921 HydrophobicContact CG2-CB 4.35Å; T1919-N1921 PolarHBondContact O-N 2.86Å; T1919-N1921 PolarHBondContact OG1-N 2.95Å; T1919-N1921 VanDerWaalsContact OG1-N 3.16Å; T1919-N1921 PolarHBondContact OG1-O 3.16Å; T1919-N1921 VanDerWaalsContact OG1-O 3.1Å; N1921-K1923 VanDerWaalsContact C-N 3.26Å; N1921-K1923 PolarHBondContact O-N 2.91Å; N1921-K1923 VanDerWaalsContact O-N 3.16Å; N1921-K1923 PolarHBondContact OD1-N 2.6Å; N1921-K1923 VanDerWaalsContact OD1-N 3.09Å; N1921-I1924 HydrophobicContact CB-CB 4.16Å; N1921-I1924 HydrophobicContact CB-CD1 3.96Å; N1921-I1924 HydrophobicContact CB-CG1 4.13Å; N1921-I1924 PolarHBondContact O-N 3.13Å; N1921-I1924 VanDerWaalsContact O-O 3.06Å
1922	P	89.4	Confident	89.4	Confident	67 Å²	67	36.5 Å²	36.5	44%	0.435	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-22.2	-171	26.2	-35.4	0	0	0	114.6	Q1918 W1954	Q1918-P1922 PolarHBondContact NE2-O 3.48Å; P1922-W1954 HydrophobicContact CB-CH2 3.75Å; P1922-W1954 HydrophobicContact CB-CZ2 3.88Å; P1922-W1954 HydrophobicContact CB-CZ3 4.38Å; P1922-W1954 PolarHBondContact O-NE1 3.14Å
1923	K	93.2	Very high	89.8	Confident	68 Å²	68	33.1 Å²	33.1	30%	0.296	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-10.5	174.2	-98.3	-156.1	173	-158.3	0	113.7	L1714 Y1717 D1718 A1719 V1720 N1921	L1714-K1923 HydrophobicContact CD2-CB 3.98Å; L1714-K1923 HydrophobicContact CD2-CD 4.32Å; L1714-K1923 PolarHBondContact O-NZ 3.16Å; Y1717-K1923 PolarHBondContact O-NZ 3.35Å; D1718-K1923 WeakPolarHBondContact O-CE 3.41Å; A1719-K1923 WeakPolarHBondContact CA-O 3.3Å; V1720-K1923 PolarHBondContact N-O 2.91Å; N1921-K1923 VanDerWaalsContact C-N 3.26Å; N1921-K1923 PolarHBondContact O-N 2.91Å; N1921-K1923 VanDerWaalsContact O-N 3.16Å; N1921-K1923 PolarHBondContact OD1-N 2.6Å; N1921-K1923 VanDerWaalsContact OD1-N 3.09Å
1924	I	94.8	Very high	90	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.9	-171.9	-57.5	176.4	0	0	0	110.1	L1710 L1714 V1720 L1722 H1897 V1899 T1919 N1921	L1710-I1924 HydrophobicContact CD2-CD1 4.01Å; L1714-I1924 HydrophobicContact CD1-CD1 4.29Å; L1714-I1924 HydrophobicContact CD2-CD1 4.11Å; L1714-I1924 HydrophobicContact CD2-CG1 3.76Å; V1720-I1924 WeakPolarHBondContact O-CA 3.33Å; L1722-I1924 HydrophobicContact CD1-CG2 3.5Å; L1722-I1924 HydrophobicContact CG-CG2 3.86Å; H1897-I1924 HydrophobicContact CB-CD1 4.24Å; V1899-I1924 HydrophobicContact CG2-CD1 3.82Å; V1899-I1924 HydrophobicContact CG2-CG2 4.39Å; T1919-I1924 WeakPolarHBondContact CB-O 3.17Å; T1919-I1924 HydrophobicContact CG2-CG2 4.02Å; T1919-I1924 WeakPolarHBondContact CG2-O 3.16Å; T1919-I1924 PolarHBondContact N-O 3.28Å; T1919-I1924 WeakPolarHBondContact OG1-CB 3.42Å; T1919-I1924 PolarHBondContact OG1-O 2.63Å; N1921-I1924 HydrophobicContact CB-CB 4.16Å; N1921-I1924 HydrophobicContact CB-CD1 3.96Å; N1921-I1924 HydrophobicContact CB-CG1 4.13Å; N1921-I1924 PolarHBondContact O-N 3.13Å; N1921-I1924 VanDerWaalsContact O-O 3.06Å
1925	F	96.6	Very high	90.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	154.6	173.7	-69.9	-106.4	0	0	0	109.3	V1720 F1721 L1722 N1915 A1916 F1917 Q1918 G1950 I1951 W1954	V1720-F1925 PolarHBondContact O-N 2.97Å; F1721-F1925 CarbonylContact C-O 3.55Å; F1721-F1925 WeakPolarHBondContact CA-O 3.31Å; F1721-F1925 HydrophobicContact CD2-CB 4.03Å; L1722-F1925 PolarHBondContact N-O 3.21Å; N1915-F1925 HydrophobicContact CB-CE1 3.98Å; N1915-F1925 HydrophobicContact CB-CZ 4.09Å; A1916-F1925 WeakPolarHBondContact O-CD1 3.45Å; F1917-F1925 VanDerWaalsContact O-CA 3.28Å; F1917-F1925 WeakPolarHBondContact O-CA 3.27Å; Q1918-F1925 HydrophobicContact CB-CD1 4.01Å; Q1918-F1925 HydrophobicContact CB-CE1 3.6Å; Q1918-F1925 HydrophobicContact CB-CZ 3.92Å; Q1918-F1925 HydrophobicContact CG-CE1 4.06Å; Q1918-F1925 HydrophobicContact CG-CE2 4.19Å; Q1918-F1925 HydrophobicContact CG-CZ 3.84Å; F1925-G1950 VanDerWaalsContact CE1-C 3.48Å; F1925-I1951 HydrophobicContact CB-CD1 4Å; F1925-I1951 HydrophobicContact CB-CG1 3.95Å; F1925-I1951 HydrophobicContact CD1-CG1 3.68Å; F1925-I1951 HydrophobicContact CD2-CD1 4.34Å; F1925-I1951 HydrophobicContact CD2-CG1 3.51Å; F1925-I1951 HydrophobicContact CE1-CG1 4.02Å; F1925-I1951 HydrophobicContact CE2-CG1 3.88Å; F1925-I1951 HydrophobicContact CG-CD1 4.05Å; F1925-I1951 HydrophobicContact CG-CG1 3.42Å; F1925-I1951 VanDerWaalsContact CG-CG1 3.42Å; F1925-I1951 HydrophobicContact CZ-CG1 4.13Å; F1925-W1954 HydrophobicContact CE2-CB 4.26Å; F1925-W1954 HydrophobicContact CE2-CG 4.13Å; F1925-W1954 HydrophobicContact CZ-CB 3.73Å; F1925-W1954 HydrophobicContact CZ-CG 4.01Å
1926	A	94.6	Very high	90.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	144.7	179.4	0	0	0	0	0	111.6	L1722 I1907 A1909 F1917 T1919 V1931	L1722-A1926 HydrophobicContact CB-CB 4.02Å; L1722-A1926 WeakPolarHBondContact O-CA 3.48Å; I1907-A1926 HydrophobicContact CB-CB 4.17Å; I1907-A1926 HydrophobicContact CD1-CB 4.06Å; I1907-A1926 HydrophobicContact CG2-CB 3.67Å; A1909-A1926 HydrophobicContact CB-CB 4.13Å; F1917-A1926 WeakPolarHBondContact CB-O 3.48Å; F1917-A1926 WeakPolarHBondContact CD1-O 3.46Å; F1917-A1926 PolarHBondContact O-N 2.84Å; T1919-A1926 HydrophobicContact CG2-CB 3.89Å; A1926-V1931 HydrophobicContact CB-CG2 3.75Å; A1926-V1931 WeakPolarHBondContact O-CG2 3.44Å
1927	G	93	Very high	90.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.174	C	C	.	.			trans	-164.1	165.4	-179.4	0	0	0	0	0	114	L1722	L1722-G1927 PolarHBondContact O-N 2.83Å
1928	G	91.8	Very high	90.3	Very high	2 Å²	2	31.2 Å²	31.2	2%	0.021	17%	0.173	C	C	.	.	S	Bend	trans	80.1	-155.1	-171.7	0	0	0	0	0	112.5	I1930 V1931 R1932 E1943	G1928-I1930 PolarHBondContact O-N 3.01Å; G1928-V1931 PolarHBondContact O-N 3.11Å; G1928-R1932 PolarHBondContact O-N 2.74Å; G1928-R1932 VanDerWaalsContact O-N 3.07Å; G1928-E1943 WeakPolarHBondContact CA-OE2 3.35Å; G1928-E1943 PolarHBondContact N-OE2 2.78Å
1929	D	89.4	Confident	90.2	Very high	38 Å²	38	30.4 Å²	30.4	20%	0.203	17%	0.17	C	C	.	.	H	α-helix	trans	-58.2	-22.2	-169.5	-56	-46.3	0	0	0	114.3	T1726 V1931 G1933 D1935	T1726-D1929 HydrophobicContact CG2-CB 4.04Å; T1726-D1929 WeakPolarHBondContact CG2-O 3.24Å; D1929-V1931 VanDerWaalsContact C-N 3.3Å; D1929-V1931 PolarHBondContact O-N 3.4Å; D1929-G1933 CarbonylContact O-C 3.52Å; D1929-G1933 WeakPolarHBondContact O-CA 3.32Å; D1929-G1933 PolarHBondContact O-N 2.64Å; D1929-D1935 PolarHBondContact OD1-N 3.05Å
1930	I	90.6	Very high	90.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-71.5	-23.2	177	-170.1	57	0	0	0	113.4	L1722 V1724 P1888 M1891 R1906 I1907 G1928	L1722-I1930 WeakPolarHBondContact O-CG2 3.3Å; V1724-I1930 HydrophobicContact CG2-CB 4.02Å; V1724-I1930 HydrophobicContact CG2-CD1 4.06Å; V1724-I1930 HydrophobicContact CG2-CG1 3.7Å; V1724-I1930 HydrophobicContact CG2-CG2 4.37Å; P1888-I1930 HydrophobicContact CB-CD1 3.71Å; P1888-I1930 HydrophobicContact CG-CD1 3.9Å; M1891-I1930 HydrophobicContact CE-CD1 3.55Å; M1891-I1930 HydrophobicContact CE-CG1 4.25Å; R1906-I1930 CarbonylContact C-O 3.24Å; R1906-I1930 VanDerWaalsContact CA-O 3.27Å; R1906-I1930 WeakPolarHBondContact CA-O 3.33Å; R1906-I1930 VanDerWaalsContact CB-O 3.31Å; R1906-I1930 WeakPolarHBondContact CB-O 3.2Å; I1907-I1930 HydrophobicContact CB-CG1 4.49Å; I1907-I1930 HydrophobicContact CD1-CG1 3.65Å; I1907-I1930 HydrophobicContact CG1-CG1 3.89Å; I1907-I1930 PolarHBondContact N-O 2.97Å; G1928-I1930 PolarHBondContact O-N 3.01Å
1931	V	90.5	Very high	90.4	Very high	25 Å²	25	27.5 Å²	27.5	15%	0.152	15%	0.151	C	C	.	.	H	α-helix	trans	-97.7	-51.4	174.8	177.5	0	0	0	0	110.1	I1907 A1909 A1926 G1928 D1929	I1907-V1931 HydrophobicContact CB-CG2 4.38Å; A1909-V1931 HydrophobicContact CB-CG1 4.39Å; A1909-V1931 HydrophobicContact CB-CG2 3.98Å; A1926-V1931 HydrophobicContact CB-CG2 3.75Å; A1926-V1931 WeakPolarHBondContact O-CG2 3.44Å; G1928-V1931 PolarHBondContact O-N 3.11Å; D1929-V1931 VanDerWaalsContact C-N 3.3Å; D1929-V1931 PolarHBondContact O-N 3.4Å
1932	R	85.7	Confident	90.5	Very high	109 Å²	109	26.4 Å²	26.4	41%	0.411	15%	0.146	S	C	.	.	H	α-helix	trans	-77.9	-29	-175.2	-172.2	166.8	-66.6	-110.6	-5.7	113.6	R1906 G1928 D1935 E1943	R1906-R1932 PolarHBondContact NH1-O 2.68Å; G1928-R1932 PolarHBondContact O-N 2.74Å; G1928-R1932 VanDerWaalsContact O-N 3.07Å; R1932-D1935 WeakPolarHBondContact CD-OD2 3.37Å; R1932-D1935 HydrophobicContact CG-CB 4.38Å; R1932-E1943 IonicContact CZ-OE1 2.68Å; R1932-E1943 IonicContact NE-OE1 3.7Å; R1932-E1943 PolarHBondContact NE-OE1 2.77Å; R1932-E1943 IonicContact NH2-OE1 3.84Å; R1932-E1943 PolarHBondContact NH2-OE1 3.25Å
1933	G	83.5	Confident	90.8	Very high	15 Å²	15	23.6 Å²	23.6	16%	0.155	13%	0.127	C	C	.	.			trans	85.1	166.7	-156	0	0	0	0	0	110.7	D1929 D1935	D1929-G1933 CarbonylContact O-C 3.52Å; D1929-G1933 WeakPolarHBondContact O-CA 3.32Å; D1929-G1933 PolarHBondContact O-N 2.64Å; G1933-D1935 PolarHBondContact O-N 3.46Å; G1933-D1935 VanDerWaalsContact O-N 3.1Å
1934	S	79	Confident	90.8	Very high	59 Å²	59	20.3 Å²	20.3	41%	0.413	11%	0.113	S	C	.	.	S	Bend	trans	-57.9	112	-171.9	-38.8	0	0	0	0	112.8	T1726	T1726-S1934 PolarHBondContact OG1-OG 2.94Å
1935	D	83.7	Confident	90.8	Very high	76 Å²	76	22.8 Å²	22.8	41%	0.406	12%	0.123	S	C	.	.			trans	-134.6	-159.4	-178	-161.8	3.7	0	0	0	110.8	D1929 R1932 G1933	D1929-D1935 PolarHBondContact OD1-N 3.05Å; R1932-D1935 WeakPolarHBondContact CD-OD2 3.37Å; R1932-D1935 HydrophobicContact CG-CB 4.38Å; G1933-D1935 PolarHBondContact O-N 3.46Å; G1933-D1935 VanDerWaalsContact O-N 3.1Å
1936	L	87.8	Confident	90.7	Very high	37 Å²	37	26.3 Å²	26.3	19%	0.194	14%	0.138	C	C	.	.			trans	-80.1	146.2	-177	-54.7	-179	0	0	0	113.4	P1584 L1588 V1938 T1939 A1940	P1584-L1936 HydrophobicContact CG-CD1 3.58Å; P1584-L1936 HydrophobicContact CG-CD2 3.73Å; P1584-L1936 HydrophobicContact CG-CG 4.31Å; L1588-L1936 HydrophobicContact CD1-CD1 3.87Å; L1588-L1936 HydrophobicContact CD2-CD1 4.17Å; L1588-L1936 HydrophobicContact CG-CD1 4.3Å; L1936-V1938 HydrophobicContact CB-CG1 4.22Å; L1936-V1938 PolarHBondContact O-N 3.4Å; L1936-V1938 VanDerWaalsContact O-N 3.16Å; L1936-T1939 WeakPolarHBondContact O-CA 3.42Å; L1936-T1939 WeakPolarHBondContact O-CB 3.42Å; L1936-T1939 PolarHBondContact O-N 3.23Å; L1936-A1940 PolarHBondContact O-N 3.28Å; L1936-A1940 VanDerWaalsContact O-N 3.11Å
1937	V	91.1	Very high	90.7	Very high	28 Å²	28	26.3 Å²	26.3	17%	0.17	14%	0.138	C	C	.	.	H	α-helix	trans	-47.1	-45.6	174.3	172.3	0	0	0	0	112.6	V1582 P1641 L1670 I1674 A1940 I1941	V1582-V1937 HydrophobicContact CG2-CB 4.34Å; V1582-V1937 HydrophobicContact CG2-CG1 4.46Å; V1582-V1937 HydrophobicContact CG2-CG2 4.05Å; P1641-V1937 HydrophobicContact CB-CG1 4.12Å; P1641-V1937 HydrophobicContact CG-CG1 4.02Å; L1670-V1937 HydrophobicContact CD2-CB 4.39Å; L1670-V1937 HydrophobicContact CD2-CG1 3.84Å; L1670-V1937 HydrophobicContact CD2-CG2 3.58Å; I1674-V1937 HydrophobicContact CD1-CG2 4.37Å; V1937-A1940 PolarHBondContact O-N 2.68Å; V1937-I1941 HydrophobicContact CG1-CD1 4.09Å; V1937-I1941 WeakPolarHBondContact O-CG1 3.22Å; V1937-I1941 PolarHBondContact O-N 3.49Å
1938	V	92.8	Very high	90.8	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.012	14%	0.138	C	C	.	.	H	α-helix	trans	-70.3	-29.7	-179.1	61.7	0	0	0	0	113	P1545 V1546 L1588 L1936 I1941 A1942	P1545-V1938 HydrophobicContact CB-CG1 4.47Å; P1545-V1938 HydrophobicContact CB-CG2 4.3Å; P1545-V1938 HydrophobicContact CG-CG1 3.92Å; P1545-V1938 HydrophobicContact CG-CG2 4.44Å; V1546-V1938 HydrophobicContact CB-CG2 4.36Å; V1546-V1938 HydrophobicContact CG1-CG2 3.79Å; V1546-V1938 HydrophobicContact CG2-CG2 3.83Å; L1588-V1938 HydrophobicContact CD1-CG1 3.82Å; L1936-V1938 HydrophobicContact CB-CG1 4.22Å; L1936-V1938 PolarHBondContact O-N 3.4Å; L1936-V1938 VanDerWaalsContact O-N 3.16Å; V1938-I1941 PolarHBondContact O-N 3.48Å; V1938-A1942 WeakPolarHBondContact O-CB 3.24Å; V1938-A1942 PolarHBondContact O-N 2.89Å
1939	T	91.5	Very high	90.8	Very high	15 Å²	15	30.2 Å²	30.2	9%	0.092	16%	0.158	C	C	.	.	H	α-helix	trans	-66.4	-45.2	171.2	-49.3	0	0	0	0	110.1	L1936 I1941 A1942 E1943	L1936-T1939 WeakPolarHBondContact O-CA 3.42Å; L1936-T1939 WeakPolarHBondContact O-CB 3.42Å; L1936-T1939 PolarHBondContact O-N 3.23Å; T1939-I1941 VanDerWaalsContact C-N 3.33Å; T1939-I1941 PolarHBondContact O-N 3.28Å; T1939-A1942 WeakPolarHBondContact O-CB 3.45Å; T1939-A1942 PolarHBondContact O-N 3.4Å; T1939-A1942 VanDerWaalsContact O-N 3.16Å; T1939-E1943 PolarHBondContact O-N 3.46Å
1940	A	93.7	Very high	91	Very high	5 Å²	5	28.6 Å²	28.6	4%	0.041	15%	0.15	C	C	.	.	H	α-helix	trans	-62.2	-38.2	176.4	0	0	0	0	0	112.4	P1641 A1642 L1936 V1937 G1944	P1641-A1940 HydrophobicContact CB-CB 4.04Å; A1642-A1940 WeakPolarHBondContact CA-O 3.41Å; A1642-A1940 HydrophobicContact CB-CB 4.23Å; A1642-A1940 VanDerWaalsContact CB-O 3.24Å; A1642-A1940 WeakPolarHBondContact CB-O 3.47Å; L1936-A1940 PolarHBondContact O-N 3.28Å; L1936-A1940 VanDerWaalsContact O-N 3.11Å; V1937-A1940 PolarHBondContact O-N 2.68Å; A1940-G1944 PolarHBondContact O-N 3.44Å
1941	I	95.3	Very high	91.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61	-48.5	171.5	-66.8	166.3	0	0	0	110.4	V1546 L1575 P1641 A1645 V1937 V1938 T1939 E1943 G1944 R1945	V1546-I1941 HydrophobicContact CG1-CB 4.17Å; V1546-I1941 HydrophobicContact CG1-CG2 3.75Å; L1575-I1941 HydrophobicContact CB-CD1 3.9Å; L1575-I1941 HydrophobicContact CD1-CD1 4.08Å; L1575-I1941 HydrophobicContact CD1-CG1 4.44Å; L1575-I1941 HydrophobicContact CG-CD1 4.22Å; P1641-I1941 HydrophobicContact CB-CG1 3.91Å; A1645-I1941 HydrophobicContact CB-CB 4.29Å; A1645-I1941 HydrophobicContact CB-CG2 3.93Å; A1645-I1941 WeakPolarHBondContact CB-O 3.47Å; V1937-I1941 HydrophobicContact CG1-CD1 4.09Å; V1937-I1941 WeakPolarHBondContact O-CG1 3.22Å; V1937-I1941 PolarHBondContact O-N 3.49Å; V1938-I1941 PolarHBondContact O-N 3.48Å; T1939-I1941 VanDerWaalsContact C-N 3.33Å; T1939-I1941 PolarHBondContact O-N 3.28Å; I1941-E1943 PolarHBondContact O-N 2.92Å; I1941-G1944 PolarHBondContact O-N 2.87Å; I1941-R1945 HydrophobicContact CG2-CG 4.49Å; I1941-R1945 WeakPolarHBondContact O-CG 3.35Å; I1941-R1945 PolarHBondContact O-N 3.49Å
1942	A	93.5	Very high	91.4	Very high	9 Å²	9	28.2 Å²	28.2	7%	0.074	15%	0.147	C	C	.	.	H	α-helix	trans	-59.5	-44.2	-179.4	0	0	0	0	0	112.9	P1545 V1546 V1938 T1939 R1945 K1946	P1545-A1942 HydrophobicContact CB-CB 4.3Å; P1545-A1942 WeakPolarHBondContact O-CB 3.14Å; V1546-A1942 HydrophobicContact CG1-CB 3.86Å; V1938-A1942 WeakPolarHBondContact O-CB 3.24Å; V1938-A1942 PolarHBondContact O-N 2.89Å; T1939-A1942 WeakPolarHBondContact O-CB 3.45Å; T1939-A1942 PolarHBondContact O-N 3.4Å; T1939-A1942 VanDerWaalsContact O-N 3.16Å; A1942-R1945 PolarHBondContact O-N 3.06Å; A1942-K1946 WeakPolarHBondContact O-CG 3.35Å; A1942-K1946 PolarHBondContact O-N 2.91Å; A1942-K1946 VanDerWaalsContact O-N 3.11Å
1943	E	93.9	Very high	91.8	Very high	7 Å²	7	27.7 Å²	27.7	3%	0.033	15%	0.152	C	C	.	.	H	α-helix	trans	-66.9	-40.5	175.8	-66.6	-172	164.8	0	0	112.2	F1917 G1928 R1932 T1939 I1941 R1945 K1946 A1947	F1917-E1943 HydrophobicContact CE1-CB 4.17Å; F1917-E1943 HydrophobicContact CE1-CG 4Å; F1917-E1943 HydrophobicContact CE2-CB 4.49Å; F1917-E1943 HydrophobicContact CZ-CB 3.97Å; F1917-E1943 HydrophobicContact CZ-CG 3.69Å; G1928-E1943 WeakPolarHBondContact CA-OE2 3.35Å; G1928-E1943 PolarHBondContact N-OE2 2.78Å; R1932-E1943 IonicContact CZ-OE1 2.68Å; R1932-E1943 IonicContact NE-OE1 3.7Å; R1932-E1943 PolarHBondContact NE-OE1 2.77Å; R1932-E1943 IonicContact NH2-OE1 3.84Å; R1932-E1943 PolarHBondContact NH2-OE1 3.25Å; T1939-E1943 PolarHBondContact O-N 3.46Å; I1941-E1943 PolarHBondContact O-N 2.92Å; E1943-R1945 VanDerWaalsContact C-N 3.3Å; E1943-R1945 PolarHBondContact O-N 2.94Å; E1943-K1946 PolarHBondContact O-N 2.92Å; E1943-A1947 VanDerWaalsContact O-CB 3.27Å; E1943-A1947 WeakPolarHBondContact O-CB 3.4Å; E1943-A1947 PolarHBondContact O-N 2.95Å
1944	G	95	Very high	92.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.9	-36.7	175.9	0	0	0	0	0	113.5	A1642 C1646 A1940 I1941 A1948	A1642-G1944 WeakPolarHBondContact O-CA 3.47Å; C1646-G1944 WeakPolarHBondContact CA-O 3.4Å; C1646-G1944 WeakPolarHBondContact CB-O 3.48Å; A1940-G1944 PolarHBondContact O-N 3.44Å; I1941-G1944 PolarHBondContact O-N 2.87Å; G1944-A1948 PolarHBondContact O-N 3.42Å; G1944-A1948 VanDerWaalsContact O-N 3.14Å
1945	R	94.8	Very high	92.9	Very high	52 Å²	52	29.5 Å²	29.5	20%	0.196	15%	0.146	C	C	.	.	H	α-helix	trans	-68.7	-50.2	174.5	-64.9	177	63.7	100.9	-4.7	111.6	Q1571 T1572 T1574 A1645 D1648 V1649 I1941 A1942 E1943 A1947 A1948 D1949	Q1571-R1945 PolarHBondContact O-NH2 2.94Å; T1572-R1945 VanDerWaalsContact O-CZ 3.29Å; T1572-R1945 PolarHBondContact O-NE 3.3Å; T1574-R1945 PolarHBondContact OG1-NH1 3.27Å; T1574-R1945 VanDerWaalsContact OG1-NH1 3.17Å; A1645-R1945 HydrophobicContact CB-CG 4.02Å; D1648-R1945 IonicContact OD2-NH1 3.89Å; V1649-R1945 HydrophobicContact CG2-CB 4.1Å; V1649-R1945 HydrophobicContact CG2-CG 3.78Å; I1941-R1945 HydrophobicContact CG2-CG 4.49Å; I1941-R1945 WeakPolarHBondContact O-CG 3.35Å; I1941-R1945 PolarHBondContact O-N 3.49Å; A1942-R1945 PolarHBondContact O-N 3.06Å; E1943-R1945 VanDerWaalsContact C-N 3.3Å; E1943-R1945 PolarHBondContact O-N 2.94Å; R1945-A1947 VanDerWaalsContact C-N 3.27Å; R1945-A1947 PolarHBondContact O-N 3.08Å; R1945-A1948 WeakPolarHBondContact O-CA 3.39Å; R1945-A1948 WeakPolarHBondContact O-CB 3.49Å; R1945-A1948 PolarHBondContact O-N 3.03Å; R1945-D1949 PolarHBondContact O-N 3.16Å
1946	K	93	Very high	93.1	Very high	74 Å²	74	34.9 Å²	34.9	32%	0.322	17%	0.169	S	C	.	.	H	α-helix	trans	-61	-35.3	177.6	-70.8	173.7	177.1	179.6	0	112.8	E1911 F1917 A1942 E1943 D1949 G1950	E1911-K1946 WeakPolarHBondContact OE1-CD 3.37Å; E1911-K1946 IonicContact OE1-NZ 3.39Å; E1911-K1946 PolarHBondContact OE1-NZ 2.93Å; F1917-K1946 HydrophobicContact CD2-CB 3.98Å; F1917-K1946 HydrophobicContact CE2-CB 3.66Å; F1917-K1946 HydrophobicContact CE2-CD 4.19Å; A1942-K1946 WeakPolarHBondContact O-CG 3.35Å; A1942-K1946 PolarHBondContact O-N 2.91Å; A1942-K1946 VanDerWaalsContact O-N 3.11Å; E1943-K1946 PolarHBondContact O-N 2.92Å; K1946-D1949 PolarHBondContact O-N 3.24Å; K1946-G1950 PolarHBondContact O-N 3.15Å
1947	A	94.9	Very high	92.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-68.7	-35	173.8	0	0	0	0	0	112.3	F1721 F1917 E1943 R1945 D1949 G1950 I1951	F1721-A1947 HydrophobicContact CD2-CB 3.85Å; F1721-A1947 HydrophobicContact CE2-CB 3.37Å; F1721-A1947 HydrophobicContact CZ-CB 4.34Å; F1917-A1947 HydrophobicContact CB-CB 3.74Å; F1917-A1947 HydrophobicContact CD2-CB 4.23Å; F1917-A1947 HydrophobicContact CG-CB 4.15Å; E1943-A1947 VanDerWaalsContact O-CB 3.27Å; E1943-A1947 WeakPolarHBondContact O-CB 3.4Å; E1943-A1947 PolarHBondContact O-N 2.95Å; R1945-A1947 VanDerWaalsContact C-N 3.27Å; R1945-A1947 PolarHBondContact O-N 3.08Å; A1947-D1949 VanDerWaalsContact C-N 3.35Å; A1947-G1950 PolarHBondContact O-N 3.13Å; A1947-I1951 WeakPolarHBondContact O-CB 3.44Å; A1947-I1951 WeakPolarHBondContact O-CD1 3.48Å; A1947-I1951 WeakPolarHBondContact O-CG1 3.4Å; A1947-I1951 PolarHBondContact O-N 2.94Å
1948	A	95.3	Very high	92.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.8	-41.2	170.1	0	0	0	0	0	111.7	V1649 L1650 G1944 R1945 G1950 I1951 M1952	V1649-A1948 HydrophobicContact CB-CB 3.71Å; V1649-A1948 HydrophobicContact CG1-CB 3.65Å; L1650-A1948 HydrophobicContact CD2-CB 4.11Å; L1650-A1948 HydrophobicContact CG-CB 3.87Å; G1944-A1948 PolarHBondContact O-N 3.42Å; G1944-A1948 VanDerWaalsContact O-N 3.14Å; R1945-A1948 WeakPolarHBondContact O-CA 3.39Å; R1945-A1948 WeakPolarHBondContact O-CB 3.49Å; R1945-A1948 PolarHBondContact O-N 3.03Å; A1948-G1950 PolarHBondContact O-N 3.27Å; A1948-I1951 PolarHBondContact O-N 2.82Å; A1948-M1952 VanDerWaalsContact O-CG 3.32Å; A1948-M1952 WeakPolarHBondContact O-CG 3.48Å; A1948-M1952 PolarHBondContact O-N 3.46Å
1949	D	92.1	Very high	92.9	Very high	84 Å²	84	40.1 Å²	40.1	45%	0.449	20%	0.198	S	C	.	.	H	α-helix	trans	-61.2	-43.7	174.5	-56.7	-36.2	0	0	0	111.4	R1945 K1946 A1947 I1951 M1952 N1953	R1945-D1949 PolarHBondContact O-N 3.16Å; K1946-D1949 PolarHBondContact O-N 3.24Å; A1947-D1949 VanDerWaalsContact C-N 3.35Å; D1949-I1951 PolarHBondContact O-N 3.4Å; D1949-M1952 HydrophobicContact CB-CE 4.46Å; D1949-M1952 PolarHBondContact O-N 3.34Å; D1949-M1952 VanDerWaalsContact OD1-CE 3.28Å; D1949-M1952 WeakPolarHBondContact OD1-CE 3.42Å; D1949-N1953 PolarHBondContact O-N 3.41Å
1950	G	93.5	Very high	93	Very high	3 Å²	3	41.4 Å²	41.4	3%	0.031	20%	0.203	C	C	.	.	H	α-helix	trans	-62.6	-36.8	173.5	0	0	0	0	0	114	F1925 K1946 A1947 A1948 W1954	F1925-G1950 VanDerWaalsContact CE1-C 3.48Å; K1946-G1950 PolarHBondContact O-N 3.15Å; A1947-G1950 PolarHBondContact O-N 3.13Å; A1948-G1950 PolarHBondContact O-N 3.27Å; G1950-W1954 WeakPolarHBondContact O-CB 3.41Å; G1950-W1954 PolarHBondContact O-N 2.8Å; G1950-W1954 VanDerWaalsContact O-N 3.11Å
1951	I	96	Very high	92.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67.5	-43.4	173.4	-70.5	161.1	0	0	0	110.7	V1634 L1650 A1719 F1721 F1925 A1947 A1948 D1949 W1954 L1955	V1634-I1951 HydrophobicContact CG1-CD1 4.46Å; V1634-I1951 HydrophobicContact CG2-CG2 3.88Å; L1650-I1951 HydrophobicContact CD1-CD1 4.44Å; L1650-I1951 HydrophobicContact CD1-CG2 4.45Å; L1650-I1951 HydrophobicContact CD2-CB 4.3Å; L1650-I1951 HydrophobicContact CD2-CG2 3.91Å; A1719-I1951 HydrophobicContact CB-CG2 4.22Å; F1721-I1951 HydrophobicContact CB-CD1 4.03Å; F1721-I1951 HydrophobicContact CD2-CD1 4.26Å; F1925-I1951 HydrophobicContact CB-CD1 4Å; F1925-I1951 HydrophobicContact CB-CG1 3.95Å; F1925-I1951 HydrophobicContact CD1-CG1 3.68Å; F1925-I1951 HydrophobicContact CD2-CD1 4.34Å; F1925-I1951 HydrophobicContact CD2-CG1 3.51Å; F1925-I1951 HydrophobicContact CE1-CG1 4.02Å; F1925-I1951 HydrophobicContact CE2-CG1 3.88Å; F1925-I1951 HydrophobicContact CG-CD1 4.05Å; F1925-I1951 HydrophobicContact CG-CG1 3.42Å; F1925-I1951 VanDerWaalsContact CG-CG1 3.42Å; F1925-I1951 HydrophobicContact CZ-CG1 4.13Å; A1947-I1951 WeakPolarHBondContact O-CB 3.44Å; A1947-I1951 WeakPolarHBondContact O-CD1 3.48Å; A1947-I1951 WeakPolarHBondContact O-CG1 3.4Å; A1947-I1951 PolarHBondContact O-N 2.94Å; A1948-I1951 PolarHBondContact O-N 2.82Å; D1949-I1951 PolarHBondContact O-N 3.4Å; I1951-W1954 PolarHBondContact O-N 2.71Å; I1951-L1955 HydrophobicContact CG2-CD1 3.7Å; I1951-L1955 HydrophobicContact CG2-CG 4.2Å; I1951-L1955 WeakPolarHBondContact O-CB 3.47Å; I1951-L1955 WeakPolarHBondContact O-CG 3.4Å; I1951-L1955 PolarHBondContact O-N 2.98Å
1952	M	94.2	Very high	92.8	Very high	18 Å²	18	46.3 Å²	46.3	9%	0.089	23%	0.226	C	C	.	.	H	α-helix	trans	-64.6	-41.9	179	-69.4	-179	-59	0	0	111.6	V1649 L1650 N1653 A1948 D1949 W1954 L1955 E1956 V1957	V1649-M1952 HydrophobicContact CG1-CE 3.76Å; L1650-M1952 HydrophobicContact CD2-CG 3.66Å; L1650-M1952 HydrophobicContact CD2-SD 4.26Å; N1653-M1952 HydrophobicContact CB-SD 3.38Å; N1653-M1952 WeakPolarHBondContact CB-SD 3.38Å; N1653-M1952 VanDerWaalsContact CG-SD 3.57Å; A1948-M1952 VanDerWaalsContact O-CG 3.32Å; A1948-M1952 WeakPolarHBondContact O-CG 3.48Å; A1948-M1952 PolarHBondContact O-N 3.46Å; D1949-M1952 HydrophobicContact CB-CE 4.46Å; D1949-M1952 PolarHBondContact O-N 3.34Å; D1949-M1952 VanDerWaalsContact OD1-CE 3.28Å; D1949-M1952 WeakPolarHBondContact OD1-CE 3.42Å; M1952-W1954 VanDerWaalsContact C-N 3.35Å; M1952-W1954 PolarHBondContact O-N 3.44Å; M1952-L1955 PolarHBondContact O-N 3Å; M1952-L1955 VanDerWaalsContact O-N 3.15Å; M1952-E1956 PolarHBondContact O-N 3.2Å; M1952-E1956 VanDerWaalsContact O-N 3.1Å; M1952-V1957 HydrophobicContact CB-CB 4.35Å; M1952-V1957 PolarHBondContact O-N 3Å; M1952-V1957 VanDerWaalsContact O-N 3.16Å
1953	N	92.5	Very high	92.7	Very high	97 Å²	97	48.8 Å²	48.8	52%	0.519	24%	0.236	S	C	.	.	H	α-helix	trans	-59.4	-45.2	173.9	-163.9	28.2	0	0	0	111.5	D1914 D1949 L1955 E1956	D1914-N1953 PolarHBondContact O-ND2 3.41Å; D1949-N1953 PolarHBondContact O-N 3.41Å; N1953-L1955 VanDerWaalsContact C-N 3.31Å; N1953-L1955 PolarHBondContact O-N 3.49Å; N1953-E1956 PolarHBondContact O-N 2.84Å
1954	W	92.9	Very high	92.6	Very high	99 Å²	99	51.8 Å²	51.8	38%	0.375	25%	0.251	S	S	.	.	H	α-helix	trans	-64.6	-30	175.5	173.2	-104.4	0	0	0	114.2	N1915 P1922 F1925 G1950 I1951 M1952	N1915-W1954 PolarHBondContact OD1-N 3.03Å; P1922-W1954 HydrophobicContact CB-CH2 3.75Å; P1922-W1954 HydrophobicContact CB-CZ2 3.88Å; P1922-W1954 HydrophobicContact CB-CZ3 4.38Å; P1922-W1954 PolarHBondContact O-NE1 3.14Å; F1925-W1954 HydrophobicContact CE2-CB 4.26Å; F1925-W1954 HydrophobicContact CE2-CG 4.13Å; F1925-W1954 HydrophobicContact CZ-CB 3.73Å; F1925-W1954 HydrophobicContact CZ-CG 4.01Å; G1950-W1954 WeakPolarHBondContact O-CB 3.41Å; G1950-W1954 PolarHBondContact O-N 2.8Å; G1950-W1954 VanDerWaalsContact O-N 3.11Å; I1951-W1954 PolarHBondContact O-N 2.71Å; M1952-W1954 VanDerWaalsContact C-N 3.35Å; M1952-W1954 PolarHBondContact O-N 3.44Å
1955	L	93	Very high	92.4	Very high	14 Å²	14	55.8 Å²	55.8	7%	0.073	27%	0.27	C	S	.	.	H	α-helix	trans	-87.8	-3.7	179.2	-67.6	179.8	0	0	0	114.1	K1632 V1634 V1655 D1718 A1719 I1951 M1952 N1953 V1957	K1632-L1955 HydrophobicContact CB-CD1 4.29Å; K1632-L1955 HydrophobicContact CD-CD2 4.42Å; V1634-L1955 HydrophobicContact CG2-CD1 3.84Å; V1655-L1955 HydrophobicContact CG1-CD1 4.34Å; D1718-L1955 HydrophobicContact CB-CD2 3.52Å; A1719-L1955 HydrophobicContact CB-CD2 4.47Å; I1951-L1955 HydrophobicContact CG2-CD1 3.7Å; I1951-L1955 HydrophobicContact CG2-CG 4.2Å; I1951-L1955 WeakPolarHBondContact O-CB 3.47Å; I1951-L1955 WeakPolarHBondContact O-CG 3.4Å; I1951-L1955 PolarHBondContact O-N 2.98Å; M1952-L1955 PolarHBondContact O-N 3Å; M1952-L1955 VanDerWaalsContact O-N 3.15Å; N1953-L1955 VanDerWaalsContact C-N 3.31Å; N1953-L1955 PolarHBondContact O-N 3.49Å; L1955-V1957 HydrophobicContact CB-CG2 3.77Å
1956	E	88.4	Confident	92.2	Very high	189 Å²	189	56.1 Å²	56.1	88%	0.883	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	48.4	-173.9	-57	-178.4	163.2	0	0	112.6	M1952 N1953	M1952-E1956 PolarHBondContact O-N 3.2Å; M1952-E1956 VanDerWaalsContact O-N 3.1Å; N1953-E1956 PolarHBondContact O-N 2.84Å
1957	V	81	Confident	92.2	Very high	95 Å²	95	54.5 Å²	54.5	58%	0.576	27%	0.272	S	S	*	.			trans	-103	0	-175.9	168.6	0	0	0	0	112.9	T1630 K1632 V1655 M1952 L1955	T1630-V1957 HydrophobicContact CG2-CB 4.49Å; T1630-V1957 HydrophobicContact CG2-CG1 3.59Å; T1630-V1957 HydrophobicContact CG2-CG2 4.13Å; K1632-V1957 HydrophobicContact CG-CG2 4.11Å; V1655-V1957 HydrophobicContact CG2-CG1 3.97Å; V1655-V1957 HydrophobicContact CG2-CG2 4.1Å; M1952-V1957 HydrophobicContact CB-CB 4.35Å; M1952-V1957 PolarHBondContact O-N 3Å; M1952-V1957 VanDerWaalsContact O-N 3.16Å; L1955-V1957 HydrophobicContact CB-CG2 3.77Å

Retrieved 1,957 of 1,957 residues in 1481.9 ms (Link to these results)

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