A0A087X9Y5_POEFO Loading...

Protein tyrosine phosphatase receptor type D

AlphaFold DB , UniProt , Accession A0A087X9Y5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,146 aa.

						>A0A087X9Y5_POEFO|A0A087X9Y5
MIITELQAETTYSVTVAAYTTKGDGARSKPKLITTTGAVPEKPRLMVSTTNMGTALLQWHPPAITHGPLQGYRLRFGRKDVDPLTVIEFPERENHYTTKEIHKGASYTFRLSARNKVGFGEETVKEVVTNEEVPSGYPQNIKAEGASTSTVQVSWQPVLLAERNGQIVKYALQYKDINSPRSPSELFITAPESTVLLDGLRADTTYDIKMCAFTSKGSGPYSPSVQFRTQPVDQVFAKNFHVRAAMKSSVLLTWEIPDTYNPAQPFTILYDNGQSVEVDGKLTQKLITGLQPETQYSFLLTNRGNSAGGLQHRVSTMTAPDVLRTKPYMIGKTNSDGMVTVELPSVQTSETVRGYYIVVVPLKKQRTGKFYSPWDSPDEMNLEELLKEINRTSRGLRFQRHAEPKAYIAAHFKDLPKEFTLGDGKIYDDFENKQLQNGQEYIFFVLAVLEMSENIMYATSPYSDPVVSADLNPQPIMDEEEGLIWVVGPVLAVVFIICIVIAILLYKSKPDRKRAETEARKGSLPNSKEMPLHHPTDPVELRRLNFQTPGSGAPSHPSNLHLSSMANHPPIPIMELADHVERLKANDNLKFSQEYESIDPGQQFTWEHSNLEVNKPKNRYANVIAYDHSRVLLSAIDGIPGSDYINANYIDGYRKQNAYIATQGALPETFGEFWRMIWEQRSAIVVMMTKLEERSRVKCDQYWPTRGTETYGLIQITLLDTVELATYCVRTFALFKNGSSEKREVRQFQFTAWPDHGVPEHPTPFLAFLRRVKACNPPDAGPMVVHCSAGVGRTGCFIVIDAMLERIKHEKTVDIYGHVTLMRAQRNYMVQTEDQYVFIHDALQEAVNCGTTEVPARNLYAYIQKLTQIEGGENVTGMELEFKRLANTKAHTSRFISANLPCNKFKNRLVNIMPYESTRVCLQPIRGVEGSDYINASFIDGYRQQKAYIATQGPLAETTEDFWRMLWEHNSTIVVMLTKLREMGREKCHQYWPAERSARYQYFVVDPMAEYNMPQYILREFKVTDARDGQSRTVRQFQFTDWPEQGVPKSGEGFIDFIGQVHKTKEQFGQDGPISVHCSAGVGRTGVFITLSIVLERMRYEGVVDIFQTVKMLRTQRPAMVQTEDQYQFCYRAGLEYLGSFDHYAT
					

Structure Viewer

Loading PAE data...

(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	58.1	Low	73.9	Confident	221 Å²	221	112.1 Å²	112.1	100%	1.089	58%	0.584	S	S	*	*				0	122.1	0	-179	178.9	177.1	0	0	107.3	I3	M1-I3 HydrophobicContact CE-CG1 4.35Å
2	I	69.6	Low	74.8	Confident	153 Å²	153	107.8 Å²	107.8	79%	0.785	56%	0.555	S	S	*	*			trans	-99.6	125.1	173.1	-61.2	175.4	0	0	0	105.8	T4	I2-T4 HydrophobicContact CG2-CG2 3.98Å
3	I	75.3	Confident	75.7	Confident	85 Å²	85	105.2 Å²	105.2	44%	0.436	55%	0.552	S	S	.	*			trans	-93.7	110.6	174.7	-55.7	174.5	0	0	0	106.5	M1 L6 V14	M1-I3 HydrophobicContact CE-CG1 4.35Å; I3-L6 HydrophobicContact CG2-CD1 4.34Å; I3-L6 HydrophobicContact CG2-CD2 3.79Å; I3-L6 HydrophobicContact CG2-CG 4.13Å; I3-V14 HydrophobicContact CD1-CG1 4.33Å; I3-V14 HydrophobicContact CD1-CG2 4.35Å
4	T	78.4	Confident	76.6	Confident	102 Å²	102	101.3 Å²	101.3	63%	0.626	53%	0.534	S	S	*	.			trans	-96	171.2	178.3	51.6	0	0	0	0	110.6	I2 L6	I2-T4 HydrophobicContact CG2-CG2 3.98Å; T4-L6 VanDerWaalsContact C-N 3.34Å; T4-L6 PolarHBondContact O-N 2.85Å
5	E	77.4	Confident	77.2	Confident	190 Å²	190	97.7 Å²	97.7	89%	0.888	52%	0.518	S	S	*	.			trans	66.1	25.5	176.8	-53.1	-179	-179.9	0	0	115.9
6	L	77.9	Confident	77.7	Confident	75 Å²	75	98 Å²	98	39%	0.393	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-75.9	136.2	171.1	-58.6	179.6	0	0	0	110.8	I3 T4 Y12 T35	I3-L6 HydrophobicContact CG2-CD1 4.34Å; I3-L6 HydrophobicContact CG2-CD2 3.79Å; I3-L6 HydrophobicContact CG2-CG 4.13Å; T4-L6 VanDerWaalsContact C-N 3.34Å; T4-L6 PolarHBondContact O-N 2.85Å; L6-Y12 HydrophobicContact CB-CD2 4.27Å; L6-Y12 HydrophobicContact CB-CE2 3.69Å; L6-Y12 HydrophobicContact CD1-CD2 4.31Å; L6-Y12 HydrophobicContact CD2-CD1 3.83Å; L6-Y12 HydrophobicContact CD2-CD2 3.93Å; L6-Y12 HydrophobicContact CD2-CE1 3.74Å; L6-Y12 HydrophobicContact CD2-CE2 3.83Å; L6-Y12 HydrophobicContact CD2-CG 3.93Å; L6-Y12 HydrophobicContact CG-CD2 4.4Å; L6-Y12 HydrophobicContact CG-CE2 4.22Å; L6-T35 HydrophobicContact CB-CG2 3.78Å; L6-T35 HydrophobicContact CD1-CG2 4.04Å
7	Q	75.9	Confident	78.1	Confident	135 Å²	135	93.2 Å²	93.2	63%	0.631	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-68.9	143.9	173	-64.3	-176.7	-22.5	0	0	110.3	T10 Y12 T35	Q7-T10 HydrophobicContact CB-CG2 4.48Å; Q7-T10 WeakPolarHBondContact CB-OG1 3.27Å; Q7-T10 WeakPolarHBondContact O-CB 3.38Å; Q7-Y12 VanDerWaalsContact CB-OH 3.3Å; Q7-Y12 WeakPolarHBondContact CB-OH 3.39Å; Q7-Y12 PolarHBondContact N-OH 3.49Å; Q7-T35 WeakPolarHBondContact O-CB 3.43Å; Q7-T35 PolarHBondContact O-OG1 3.45Å
8	A	69.8	Low	78.1	Confident	35 Å²	35	92.3 Å²	92.3	29%	0.289	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	154	178.2	0	0	0	0	0	112.2	T10 T35 A38	A8-T10 PolarHBondContact O-N 2.52Å; A8-T10 PolarHBondContact O-OG1 3.06Å; A8-T35 WeakPolarHBondContact CA-OG1 3.37Å; A8-A38 HydrophobicContact CB-CB 3.61Å
9	E	74.2	Confident	78.2	Confident	114 Å²	114	94.3 Å²	94.3	53%	0.533	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	23.9	-175.8	-56.7	-168.9	161.8	0	0	114.2	T35 K116	E9-T35 WeakPolarHBondContact CA-O 3.08Å; E9-T35 PolarHBondContact N-O 3.41Å; E9-T35 PolarHBondContact N-OG1 2.85Å; E9-T35 VanDerWaalsContact N-OG1 3.14Å; E9-K116 WeakPolarHBondContact OE1-CE 3.47Å; E9-K116 IonicContact OE1-NZ 3.62Å; E9-K116 PolarHBondContact OE1-NZ 3.31Å; E9-K116 IonicContact OE2-NZ 3.98Å
10	T	75.3	Confident	78.3	Confident	42 Å²	42	94.5 Å²	94.5	26%	0.258	51%	0.514	S	S	.	.			trans	-112.1	130.1	-173.3	-57.1	0	0	0	0	110.2	Q7 A8 Y12 T34 T35	Q7-T10 HydrophobicContact CB-CG2 4.48Å; Q7-T10 WeakPolarHBondContact CB-OG1 3.27Å; Q7-T10 WeakPolarHBondContact O-CB 3.38Å; A8-T10 PolarHBondContact O-N 2.52Å; A8-T10 PolarHBondContact O-OG1 3.06Å; T10-Y12 HydrophobicContact CG2-CD2 4.31Å; T10-Y12 HydrophobicContact CG2-CE1 4.44Å; T10-Y12 HydrophobicContact CG2-CE2 3.68Å; T10-Y12 VanDerWaalsContact O-CD2 3.3Å; T10-Y12 WeakPolarHBondContact O-CD2 3.23Å; T10-T34 WeakPolarHBondContact O-CA 3.27Å; T10-T35 PolarHBondContact N-OG1 3.39Å; T10-T35 VanDerWaalsContact N-OG1 3.09Å; T10-T35 PolarHBondContact O-N 2.91Å; T10-T35 PolarHBondContact O-OG1 2.82Å
11	T	80.9	Confident	78.2	Confident	81 Å²	81	97 Å²	97	50%	0.497	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	119.5	176.9	-54.5	0	0	0	0	110.5	L32 I33 T34	T11-L32 HydrophobicContact CG2-CB 4.05Å; T11-L32 HydrophobicContact CG2-CD2 4.23Å; T11-I33 WeakPolarHBondContact CA-O 3.03Å; T11-T34 PolarHBondContact OG1-OG1 2.89Å
12	Y	84.6	Confident	79	Confident	61 Å²	61	95.9 Å²	95.9	24%	0.239	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	142.6	176.9	-70.5	-84.5	0	0	0	111.4	L6 Q7 T10 L32 I33 T35	L6-Y12 HydrophobicContact CB-CD2 4.27Å; L6-Y12 HydrophobicContact CB-CE2 3.69Å; L6-Y12 HydrophobicContact CD1-CD2 4.31Å; L6-Y12 HydrophobicContact CD2-CD1 3.83Å; L6-Y12 HydrophobicContact CD2-CD2 3.93Å; L6-Y12 HydrophobicContact CD2-CE1 3.74Å; L6-Y12 HydrophobicContact CD2-CE2 3.83Å; L6-Y12 HydrophobicContact CD2-CG 3.93Å; L6-Y12 HydrophobicContact CG-CD2 4.4Å; L6-Y12 HydrophobicContact CG-CE2 4.22Å; Q7-Y12 VanDerWaalsContact CB-OH 3.3Å; Q7-Y12 WeakPolarHBondContact CB-OH 3.39Å; Q7-Y12 PolarHBondContact N-OH 3.49Å; T10-Y12 HydrophobicContact CG2-CD2 4.31Å; T10-Y12 HydrophobicContact CG2-CE1 4.44Å; T10-Y12 HydrophobicContact CG2-CE2 3.68Å; T10-Y12 VanDerWaalsContact O-CD2 3.3Å; T10-Y12 WeakPolarHBondContact O-CD2 3.23Å; Y12-L32 CarbonylContact O-C 3.55Å; Y12-L32 VanDerWaalsContact O-CA 3.26Å; Y12-L32 WeakPolarHBondContact O-CA 3.3Å; Y12-I33 PolarHBondContact N-O 2.84Å; Y12-I33 PolarHBondContact O-N 3.02Å; Y12-T35 HydrophobicContact CD2-CG2 4.25Å; Y12-T35 HydrophobicContact CE2-CG2 4.2Å
13	S	87.3	Confident	79.2	Confident	74 Å²	74	90.3 Å²	90.3	52%	0.517	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.1	171.4	-179.7	0	0	0	0	110.1	P30	S13-P30 WeakPolarHBondContact OG-CB 3.39Å
14	V	87.6	Confident	79.4	Confident	50 Å²	50	92.1 Å²	92.1	30%	0.303	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.2	-178.8	-174.1	0	0	0	0	110.5	I3 P30 K31	I3-V14 HydrophobicContact CD1-CG1 4.33Å; I3-V14 HydrophobicContact CD1-CG2 4.35Å; V14-P30 WeakPolarHBondContact O-CA 3.37Å; V14-K31 PolarHBondContact N-O 3.15Å; V14-K31 PolarHBondContact O-N 2.9Å
15	T	86.4	Confident	79.5	Confident	48 Å²	48	89 Å²	89	29%	0.294	50%	0.5	S	S	.	.			trans	-130.9	146.4	173.4	61.2	0	0	0	0	110.3	R27 S28 P30	T15-R27 PolarHBondContact OG1-NH1 2.72Å; T15-S28 WeakPolarHBondContact CG2-O 3.41Å; T15-P30 HydrophobicContact CG2-CB 3.77Å
16	V	85.3	Confident	79.7	Confident	102 Å²	102	84.7 Å²	84.7	62%	0.618	50%	0.497	S	S	*	.			trans	-120.9	136	178.7	-178.4	0	0	0	0	110	R27 S28	V16-R27 CarbonylContact O-C 3.58Å; V16-R27 WeakPolarHBondContact O-CA 3.4Å; V16-S28 PolarHBondContact N-OG 2.83Å; V16-S28 PolarHBondContact O-N 2.84Å
17	A	84.4	Confident	80.1	Confident	17 Å²	17	88.9 Å²	88.9	14%	0.14	51%	0.508	C	S	.	.			trans	-124.8	149	169	0	0	0	0	0	110	Y19 G25 R27	A17-Y19 HydrophobicContact CB-CE2 4.04Å; A17-Y19 WeakPolarHBondContact O-CD2 3.33Å; A17-Y19 WeakPolarHBondContact O-CE2 3.4Å; A17-G25 WeakPolarHBondContact CB-O 3.48Å; A17-R27 HydrophobicContact CB-CB 4.43Å; A17-R27 HydrophobicContact CB-CG 3.63Å
18	A	76.9	Confident	80.7	Confident	77 Å²	77	85.1 Å²	85.1	64%	0.636	50%	0.496	S	S	*	.			trans	-98.2	140.5	173.7	0	0	0	0	0	109.9	G25	A18-G25 VanDerWaalsContact O-CA 3.3Å; A18-G25 WeakPolarHBondContact O-CA 3.14Å; A18-G25 PolarHBondContact O-N 2.81Å
19	Y	81.2	Confident	81.6	Confident	129 Å²	129	92.6 Å²	92.6	51%	0.506	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.6	-174.6	-57.7	-96.9	0	0	0	110.2	A17 D24	A17-Y19 HydrophobicContact CB-CE2 4.04Å; A17-Y19 WeakPolarHBondContact O-CD2 3.33Å; A17-Y19 WeakPolarHBondContact O-CE2 3.4Å; Y19-D24 HydrophobicContact CD1-CB 3.69Å; Y19-D24 WeakPolarHBondContact CD1-OD1 3.26Å; Y19-D24 HydrophobicContact CE1-CB 3.62Å; Y19-D24 WeakPolarHBondContact CE1-OD1 3.41Å; Y19-D24 WeakPolarHBondContact CE1-OD2 3.47Å
20	T	80.3	Confident	82.1	Confident	99 Å²	99	91.2 Å²	91.2	61%	0.607	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124	172.4	172.9	70.2	0	0	0	0	110.1	K22 G23	T20-K22 PolarHBondContact O-N 2.85Å; T20-K22 PolarHBondContact OG1-N 3.33Å; T20-G23 PolarHBondContact N-O 2.83Å; T20-G23 PolarHBondContact O-N 2.79Å
21	T	75.9	Confident	82.5	Confident	148 Å²	148	96 Å²	96	91%	0.908	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-7.8	175.4	53.9	0	0	0	0	114.1
22	K	74.2	Confident	82.8	Confident	197 Å²	197	98.1 Å²	98.1	86%	0.857	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-7.5	175.6	-63.2	-62.9	-174.9	-179.4	0	114.1	T20	T20-K22 PolarHBondContact O-N 2.85Å; T20-K22 PolarHBondContact OG1-N 3.33Å
23	G	73.1	Confident	82.6	Confident	35 Å²	35	99.5 Å²	99.5	36%	0.361	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	131	-172	179.3	0	0	0	0	0	114.2	T20	T20-G23 PolarHBondContact N-O 2.83Å; T20-G23 PolarHBondContact O-N 2.79Å
24	D	81.1	Confident	82.2	Confident	124 Å²	124	99.9 Å²	99.9	66%	0.663	56%	0.558	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.5	130.6	-170.2	-53	4.3	0	0	0	111.3	Y19	Y19-D24 HydrophobicContact CD1-CB 3.69Å; Y19-D24 WeakPolarHBondContact CD1-OD1 3.26Å; Y19-D24 HydrophobicContact CE1-CB 3.62Å; Y19-D24 WeakPolarHBondContact CE1-OD1 3.41Å; Y19-D24 WeakPolarHBondContact CE1-OD2 3.47Å
25	G	79.6	Confident	81.6	Confident	36 Å²	36	99.1 Å²	99.1	37%	0.371	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-78.7	165.8	170.8	0	0	0	0	0	112.8	A17 A18 R27	A17-G25 WeakPolarHBondContact CB-O 3.48Å; A18-G25 VanDerWaalsContact O-CA 3.3Å; A18-G25 WeakPolarHBondContact O-CA 3.14Å; A18-G25 PolarHBondContact O-N 2.81Å; G25-R27 PolarHBondContact O-N 3.43Å
26	A	82.1	Confident	81	Confident	99 Å²	99	102.8 Å²	102.8	82%	0.818	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-58.7	134.7	179.8	0	0	0	0	0	112.2
27	R	86.3	Confident	80.3	Confident	164 Å²	164	99 Å²	99	62%	0.619	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-69.5	143.1	174.9	-74.6	179.5	179.1	-114.3	-1.2	110.9	T15 V16 A17 G25	T15-R27 PolarHBondContact OG1-NH1 2.72Å; V16-R27 CarbonylContact O-C 3.58Å; V16-R27 WeakPolarHBondContact O-CA 3.4Å; A17-R27 HydrophobicContact CB-CB 4.43Å; A17-R27 HydrophobicContact CB-CG 3.63Å; G25-R27 PolarHBondContact O-N 3.43Å
28	S	88.6	Confident	80	Confident	55 Å²	55	99.5 Å²	99.5	39%	0.385	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-62.3	161.8	171.2	75.9	0	0	0	0	111.3	T15 V16	T15-S28 WeakPolarHBondContact CG2-O 3.41Å; V16-S28 PolarHBondContact N-OG 2.83Å; V16-S28 PolarHBondContact O-N 2.84Å
29	K	87.6	Confident	80.5	Confident	192 Å²	192	98.6 Å²	98.6	84%	0.835	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-58.7	142.7	168.6	-66.5	-175.3	179.8	-178.6	0	110.4
30	P	85.1	Confident	80.9	Confident	85 Å²	85	92.6 Å²	92.6	55%	0.552	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-67.6	133.4	179.7	26.2	-32.8	0	0	0	111.2	S13 V14 T15	S13-P30 WeakPolarHBondContact OG-CB 3.39Å; V14-P30 WeakPolarHBondContact O-CA 3.37Å; T15-P30 HydrophobicContact CG2-CB 3.77Å
31	K	83.9	Confident	81.3	Confident	144 Å²	144	92 Å²	92	63%	0.626	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	120	169	-171.7	160.4	-177	169.9	0	109.5	V14 I33	V14-K31 PolarHBondContact N-O 3.15Å; V14-K31 PolarHBondContact O-N 2.9Å; K31-I33 HydrophobicContact CG-CG1 4.25Å
32	L	87.5	Confident	82	Confident	124 Å²	124	91.3 Å²	91.3	65%	0.649	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	130.1	175.7	-62.2	174.4	0	0	0	110	T11 Y12	T11-L32 HydrophobicContact CG2-CB 4.05Å; T11-L32 HydrophobicContact CG2-CD2 4.23Å; Y12-L32 CarbonylContact O-C 3.55Å; Y12-L32 VanDerWaalsContact O-CA 3.26Å; Y12-L32 WeakPolarHBondContact O-CA 3.3Å
33	I	80.4	Confident	82.9	Confident	91 Å²	91	82 Å²	82	47%	0.467	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	128.2	178.7	-57.9	173.7	0	0	0	108	T11 Y12 K31	T11-I33 WeakPolarHBondContact CA-O 3.03Å; Y12-I33 PolarHBondContact N-O 2.84Å; Y12-I33 PolarHBondContact O-N 3.02Å; K31-I33 HydrophobicContact CG-CG1 4.25Å
34	T	79.6	Confident	83.8	Confident	82 Å²	82	88.9 Å²	88.9	50%	0.503	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	130.5	175.6	-52.3	0	0	0	0	109.9	T10 T11	T10-T34 WeakPolarHBondContact O-CA 3.27Å; T11-T34 PolarHBondContact OG1-OG1 2.89Å
35	T	74.3	Confident	84.4	Confident	33 Å²	33	83.2 Å²	83.2	20%	0.202	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-72.5	146.2	174.9	50.5	0	0	0	0	111.3	L6 Q7 A8 E9 T10 Y12	L6-T35 HydrophobicContact CB-CG2 3.78Å; L6-T35 HydrophobicContact CD1-CG2 4.04Å; Q7-T35 WeakPolarHBondContact O-CB 3.43Å; Q7-T35 PolarHBondContact O-OG1 3.45Å; A8-T35 WeakPolarHBondContact CA-OG1 3.37Å; E9-T35 WeakPolarHBondContact CA-O 3.08Å; E9-T35 PolarHBondContact N-O 3.41Å; E9-T35 PolarHBondContact N-OG1 2.85Å; E9-T35 VanDerWaalsContact N-OG1 3.14Å; T10-T35 PolarHBondContact N-OG1 3.39Å; T10-T35 VanDerWaalsContact N-OG1 3.09Å; T10-T35 PolarHBondContact O-N 2.91Å; T10-T35 PolarHBondContact O-OG1 2.82Å; Y12-T35 HydrophobicContact CD2-CG2 4.25Å; Y12-T35 HydrophobicContact CE2-CG2 4.2Å
36	T	72.8	Confident	85.1	Confident	126 Å²	126	85.1 Å²	85.1	77%	0.773	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-67.1	159.2	175.3	50.1	0	0	0	0	111.5
37	G	71.5	Confident	85.5	Confident	23 Å²	23	82 Å²	82	24%	0.237	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-59.2	151.5	175.6	0	0	0	0	0	112.9
38	A	78.5	Confident	85.6	Confident	26 Å²	26	77 Å²	77	22%	0.215	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-99.9	146.8	179.2	0	0	0	0	0	111.6	A8 H66 N115	A8-A38 HydrophobicContact CB-CB 3.61Å; A38-H66 HydrophobicContact CB-CB 3.9Å; A38-H66 WeakPolarHBondContact O-CB 3.4Å; A38-N115 PolarHBondContact O-ND2 2.87Å
39	V	86.3	Confident	85.4	Confident	59 Å²	59	77.3 Å²	77.3	36%	0.358	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-79.5	161.5	170.8	-66.5	0	0	0	0	110.4	H66 V117	V39-H66 PolarHBondContact O-CD2 2.83Å; V39-V117 HydrophobicContact CG1-CB 4.22Å; V39-V117 HydrophobicContact CG1-CG1 3.98Å
40	P	89.5	Confident	84.9	Confident	3 Å²	3	71 Å²	71	2%	0.019	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-62.3	155.3	178.1	-23.2	36.5	0	0	0	112.8	P62 A113 N115 G120	P40-P62 HydrophobicContact CB-CG 4.29Å; P40-A113 HydrophobicContact CB-CB 3.84Å; P40-A113 HydrophobicContact CG-CB 4.32Å; P40-N115 HydrophobicContact CG-CB 3.77Å; P40-G120 WeakPolarHBondContact O-CA 3.28Å
41	E	89.5	Confident	84.2	Confident	87 Å²	87	74.6 Å²	74.6	41%	0.407	40%	0.397	S	S	.	.			trans	-70.3	176.4	167.9	-70.7	-172.9	164.1	0	0	112.2	P62 I64	E41-P62 HydrophobicContact CB-CB 4.02Å; E41-P62 WeakPolarHBondContact O-CB 3.42Å; E41-P62 WeakPolarHBondContact O-CG 3.34Å; E41-I64 HydrophobicContact CG-CB 4.15Å; E41-I64 PolarHBondContact N-O 2.83Å
42	K	89.9	Confident	83.6	Confident	133 Å²	133	75.7 Å²	75.7	58%	0.578	41%	0.406	S	S	*	.			trans	-67.3	129.2	179.7	70.8	-170.8	173	-167.9	0	112.2	E121 T123	K42-E121 HydrophobicContact CB-CB 4.38Å; K42-T123 WeakPolarHBondContact CB-OG1 3.28Å
43	P	92.7	Very high	83.1	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.006	38%	0.384	C	S	.	.			trans	-73.1	154.9	175.4	29.1	-33.8	0	0	0	111.6	L45 H60 P62 Y72 L111 A113 T123	P43-L45 PolarHBondContact O-N 3.26Å; P43-H60 WeakPolarHBondContact CB-O 3.48Å; P43-P62 HydrophobicContact CB-CG 4.2Å; P43-Y72 HydrophobicContact CB-CD1 4.38Å; P43-Y72 HydrophobicContact CB-CE1 4.1Å; P43-L111 HydrophobicContact CB-CD2 4.06Å; P43-L111 HydrophobicContact CG-CB 4.25Å; P43-L111 HydrophobicContact CG-CD2 3.72Å; P43-L111 HydrophobicContact CG-CG 3.78Å; P43-L111 WeakPolarHBondContact CG-O 3.21Å; P43-A113 HydrophobicContact CG-CB 4.46Å; P43-T123 VanDerWaalsContact O-CB 3.26Å; P43-T123 WeakPolarHBondContact O-CB 3.41Å; P43-T123 PolarHBondContact O-OG1 2.76Å
44	R	92.7	Very high	83.3	Confident	180 Å²	180	67.7 Å²	67.7	68%	0.679	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	108.3	178.4	-175.3	179.5	179.5	175.8	0.1	110.4	W59 H60	R44-W59 CarbonylContact O-C 3.53Å; R44-W59 WeakPolarHBondContact O-CA 3.41Å; R44-W59 WeakPolarHBondContact O-CB 3.28Å; R44-H60 HydrophobicContact CB-CB 4.31Å; R44-H60 PolarHBondContact N-O 3.19Å; R44-H60 PolarHBondContact O-N 3.14Å
45	L	94.2	Very high	83.7	Confident	5 Å²	5	63.8 Å²	63.8	3%	0.026	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	133.7	179.6	177.9	65.5	0	0	0	112.8	P43 V47 L57 W59 F109 L111 T123 K125	P43-L45 PolarHBondContact O-N 3.26Å; L45-V47 HydrophobicContact CD1-CG2 4.34Å; L45-V47 HydrophobicContact CD2-CG2 4.14Å; L45-V47 HydrophobicContact CG-CG2 4.01Å; L45-L57 HydrophobicContact CD1-CB 4.16Å; L45-L57 HydrophobicContact CD1-CD2 4.15Å; L45-L57 HydrophobicContact CD1-CG 4.38Å; L45-W59 HydrophobicContact CD1-CB 4.25Å; L45-W59 HydrophobicContact CD1-CE3 4.26Å; L45-F109 HydrophobicContact CD2-CB 4.08Å; L45-L111 HydrophobicContact CB-CD2 4.32Å; L45-L111 HydrophobicContact CD1-CD2 4.2Å; L45-L111 HydrophobicContact CD2-CB 4.09Å; L45-T123 HydrophobicContact CB-CG2 3.76Å; L45-K125 HydrophobicContact CB-CG 4.45Å; L45-K125 HydrophobicContact CD2-CB 4.11Å; L45-K125 HydrophobicContact CD2-CG 4.03Å; L45-K125 HydrophobicContact CG-CG 4.17Å; L45-K125 WeakPolarHBondContact O-CE 3.3Å
46	M	93.4	Very high	84.5	Confident	75 Å²	75	64.5 Å²	64.5	37%	0.369	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	139.1	170.5	-60.4	-178.4	-62.1	0	0	109.2	L57 Q58	M46-L57 WeakPolarHBondContact O-CA 3.37Å; M46-Q58 HydrophobicContact CE-CB 4.15Å; M46-Q58 PolarHBondContact N-O 2.87Å; M46-Q58 PolarHBondContact O-N 2.88Å
47	V	91.9	Very high	85.5	Confident	34 Å²	34	58.5 Å²	58.5	21%	0.206	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	126	-179.8	-169.8	0	0	0	0	108.7	L45 A55 L56 L57 F109 K125 V127	L45-V47 HydrophobicContact CD1-CG2 4.34Å; L45-V47 HydrophobicContact CD2-CG2 4.14Å; L45-V47 HydrophobicContact CG-CG2 4.01Å; V47-A55 HydrophobicContact CG1-CB 4.28Å; V47-L56 WeakPolarHBondContact CA-O 3.42Å; V47-L57 HydrophobicContact CG1-CD1 4.24Å; V47-L57 HydrophobicContact CG1-CG 4.24Å; V47-L57 HydrophobicContact CG2-CG 4.15Å; V47-F109 HydrophobicContact CG1-CD2 4.09Å; V47-F109 HydrophobicContact CG1-CE2 3.89Å; V47-F109 HydrophobicContact CG1-CZ 4.27Å; V47-F109 HydrophobicContact CG2-CB 4.46Å; V47-F109 HydrophobicContact CG2-CD2 4.22Å; V47-F109 HydrophobicContact CG2-CG 4.37Å; V47-K125 HydrophobicContact CG2-CB 3.8Å; V47-K125 HydrophobicContact CG2-CG 4.2Å; V47-V127 HydrophobicContact CB-CG2 3.94Å; V47-V127 HydrophobicContact CG1-CG2 3.73Å
48	S	88.6	Confident	86.6	Confident	58 Å²	58	61.5 Å²	61.5	41%	0.406	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	117.9	176.2	53.2	0	0	0	0	110	A55 L56	S48-A55 WeakPolarHBondContact O-CA 3.37Å; S48-L56 PolarHBondContact N-O 3.21Å; S48-L56 PolarHBondContact O-N 2.84Å; S48-L56 PolarHBondContact OG-O 3.04Å
49	T	84.2	Confident	87.4	Confident	62 Å²	62	60.4 Å²	60.4	38%	0.38	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	153.2	175	42.3	0	0	0	0	111.8	A55 I101 V127 T129	T49-A55 HydrophobicContact CG2-CB 3.9Å; T49-I101 HydrophobicContact CG2-CG2 4.38Å; T49-V127 HydrophobicContact CG2-CB 4.49Å; T49-V127 HydrophobicContact CG2-CG1 3.52Å; T49-T129 HydrophobicContact CG2-CG2 4.43Å
50	T	77.4	Confident	87.7	Confident	61 Å²	61	62.3 Å²	62.3	37%	0.374	32%	0.315	S	S	.	.			trans	-117.4	158.7	175.8	67.4	0	0	0	0	110.4	M52 G53 T54	T50-M52 PolarHBondContact O-N 2.81Å; T50-G53 PolarHBondContact O-N 3.19Å; T50-T54 PolarHBondContact N-O 2.82Å; T50-T54 PolarHBondContact OG1-N 2.98Å; T50-T54 PolarHBondContact OG1-O 2.91Å; T50-T54 PolarHBondContact OG1-OG1 2.94Å
51	N	68.6	Low	87.8	Confident	160 Å²	160	66 Å²	66	86%	0.856	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-9.6	176.7	-66.4	-12.8	0	0	0	113.7	G53	N51-G53 VanDerWaalsContact C-N 3.33Å
52	M	71.8	Confident	87.8	Confident	167 Å²	167	62.4 Å²	62.4	82%	0.823	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	18	178.9	-59.2	-159.4	-57.9	0	0	113.4	T50 T54	T50-M52 PolarHBondContact O-N 2.81Å; M52-T54 VanDerWaalsContact C-N 3.35Å; M52-T54 PolarHBondContact O-N 3.14Å
53	G	76.6	Confident	87.6	Confident	18 Å²	18	60.8 Å²	60.8	19%	0.186	33%	0.334	C	S	.	.	S	Bend	trans	73.6	24.5	178.7	0	0	0	0	0	114.3	T50 N51 K99 I101	T50-G53 PolarHBondContact O-N 3.19Å; N51-G53 VanDerWaalsContact C-N 3.33Å; G53-K99 CarbonylContact O-C 3.42Å; G53-K99 VanDerWaalsContact O-C 3.31Å; G53-I101 WeakPolarHBondContact CA-O 3.45Å; G53-I101 WeakPolarHBondContact O-CB 3.34Å; G53-I101 PolarHBondContact O-N 3.49Å
54	T	84.6	Confident	87.2	Confident	28 Å²	28	64.4 Å²	64.4	17%	0.172	35%	0.353	C	S	.	.			trans	-118.5	149.6	176.5	79.3	0	0	0	0	111.6	T50 M52 T98 K99	T50-T54 PolarHBondContact N-O 2.82Å; T50-T54 PolarHBondContact OG1-N 2.98Å; T50-T54 PolarHBondContact OG1-O 2.91Å; T50-T54 PolarHBondContact OG1-OG1 2.94Å; M52-T54 VanDerWaalsContact C-N 3.35Å; M52-T54 PolarHBondContact O-N 3.14Å; T54-T98 CarbonylContact C-O 3.54Å; T54-T98 WeakPolarHBondContact CA-O 3.3Å; T54-T98 VanDerWaalsContact CB-O 3.23Å; T54-T98 WeakPolarHBondContact CB-O 3.42Å; T54-K99 HydrophobicContact CG2-CB 4.36Å; T54-K99 HydrophobicContact CG2-CG 4.17Å
55	A	89.4	Confident	86.6	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.7	169	0	0	0	0	0	110.7	V47 S48 T49 L57 T97 T98 I101 F109	V47-A55 HydrophobicContact CG1-CB 4.28Å; S48-A55 WeakPolarHBondContact O-CA 3.37Å; T49-A55 HydrophobicContact CG2-CB 3.9Å; A55-L57 HydrophobicContact CB-CD1 4.3Å; A55-T97 WeakPolarHBondContact O-CA 3.43Å; A55-T98 HydrophobicContact CB-CG2 3.8Å; A55-T98 PolarHBondContact N-O 3.29Å; A55-T98 PolarHBondContact O-N 3.33Å; A55-I101 HydrophobicContact CB-CD1 4.16Å; A55-I101 HydrophobicContact CB-CG1 3.73Å; A55-F109 HydrophobicContact CB-CZ 4.23Å
56	L	91.1	Very high	85.8	Confident	48 Å²	48	61.7 Å²	61.7	25%	0.251	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	122.3	171.5	174.1	66.9	0	0	0	109	V47 S48 Q58 T97	V47-L56 WeakPolarHBondContact CA-O 3.42Å; S48-L56 PolarHBondContact N-O 3.21Å; S48-L56 PolarHBondContact O-N 2.84Å; S48-L56 PolarHBondContact OG-O 3.04Å; L56-Q58 HydrophobicContact CD1-CG 4.36Å; L56-Q58 HydrophobicContact CD2-CG 4.39Å; L56-Q58 HydrophobicContact CG-CG 4.15Å; L56-T97 WeakPolarHBondContact CD1-OG1 3.39Å
57	L	93.7	Very high	85.2	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	134	172.7	-73.3	76.4	0	0	0	108.6	L45 M46 V47 A55 W59 L74 H95 Y96 T98 F109	L45-L57 HydrophobicContact CD1-CB 4.16Å; L45-L57 HydrophobicContact CD1-CD2 4.15Å; L45-L57 HydrophobicContact CD1-CG 4.38Å; M46-L57 WeakPolarHBondContact O-CA 3.37Å; V47-L57 HydrophobicContact CG1-CD1 4.24Å; V47-L57 HydrophobicContact CG1-CG 4.24Å; V47-L57 HydrophobicContact CG2-CG 4.15Å; A55-L57 HydrophobicContact CB-CD1 4.3Å; L57-W59 HydrophobicContact CB-CE3 4.37Å; L57-W59 HydrophobicContact CB-CZ3 4.2Å; L57-L74 HydrophobicContact CD2-CD1 3.56Å; L57-L74 HydrophobicContact CD2-CD2 3.61Å; L57-L74 HydrophobicContact CD2-CG 4.23Å; L57-H95 CarbonylContact O-C 3.47Å; L57-H95 WeakPolarHBondContact O-CA 3.45Å; L57-H95 VanDerWaalsContact O-CB 3.3Å; L57-H95 WeakPolarHBondContact O-CB 3.45Å; L57-Y96 WeakPolarHBondContact CB-O 3.36Å; L57-Y96 PolarHBondContact N-O 3.31Å; L57-Y96 PolarHBondContact O-N 3.45Å; L57-T98 HydrophobicContact CD1-CG2 4.25Å; L57-F109 HydrophobicContact CD1-CD1 4.02Å; L57-F109 HydrophobicContact CD1-CE1 3.81Å; L57-F109 HydrophobicContact CD1-CZ 4.48Å; L57-F109 HydrophobicContact CD2-CB 4.25Å; L57-F109 HydrophobicContact CD2-CD1 3.56Å; L57-F109 HydrophobicContact CD2-CE1 4.21Å; L57-F109 HydrophobicContact CD2-CG 4.13Å; L57-F109 HydrophobicContact CG-CD1 4.19Å; L57-F109 HydrophobicContact CG-CE1 4.47Å
58	Q	94.2	Very high	84.8	Confident	87 Å²	87	62.9 Å²	62.9	41%	0.407	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	135.2	174.3	-68.2	-178.8	-44.3	0	0	109.1	M46 L56 N94 H95	M46-Q58 HydrophobicContact CE-CB 4.15Å; M46-Q58 PolarHBondContact N-O 2.87Å; M46-Q58 PolarHBondContact O-N 2.88Å; L56-Q58 HydrophobicContact CD1-CG 4.36Å; L56-Q58 HydrophobicContact CD2-CG 4.39Å; L56-Q58 HydrophobicContact CG-CG 4.15Å; Q58-N94 CarbonylContact C-O 3.56Å; Q58-N94 WeakPolarHBondContact CA-O 3.25Å; Q58-H95 HydrophobicContact CG-CB 3.94Å
59	W	95.3	Very high	84.8	Confident	3 Å²	3	61.3 Å²	61.3	1%	0.011	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	157.4	-179.1	61.6	85.2	0	0	0	114	R44 L45 L57 Y72 F89 E93 N94 H95 L111	R44-W59 CarbonylContact O-C 3.53Å; R44-W59 WeakPolarHBondContact O-CA 3.41Å; R44-W59 WeakPolarHBondContact O-CB 3.28Å; L45-W59 HydrophobicContact CD1-CB 4.25Å; L45-W59 HydrophobicContact CD1-CE3 4.26Å; L57-W59 HydrophobicContact CB-CE3 4.37Å; L57-W59 HydrophobicContact CB-CZ3 4.2Å; W59-Y72 AromaticContact CD1-CE1 3.94Å; W59-Y72 AromaticContact CD1-CZ 3.86Å; W59-Y72 AromaticContact NE1-CD2 3.44Å; W59-Y72 AromaticContact NE1-CE2 3.5Å; W59-Y72 AromaticContact NE1-CG 3.73Å; W59-Y72 AromaticContact NE1-CZ 3.83Å; W59-F89 HydrophobicContact CH2-CD1 4.42Å; W59-F89 AromaticContact CH2-CD2 3.74Å; W59-F89 HydrophobicContact CH2-CD2 3.74Å; W59-F89 HydrophobicContact CH2-CE1 4.35Å; W59-F89 AromaticContact CH2-CE2 3.64Å; W59-F89 HydrophobicContact CH2-CE2 3.64Å; W59-F89 HydrophobicContact CH2-CG 4.13Å; W59-F89 AromaticContact CH2-CZ 3.98Å; W59-F89 HydrophobicContact CH2-CZ 3.98Å; W59-F89 HydrophobicContact CZ2-CB 4.34Å; W59-F89 AromaticContact CZ2-CD2 3.78Å; W59-F89 HydrophobicContact CZ2-CD2 3.78Å; W59-F89 HydrophobicContact CZ2-CE2 4.19Å; W59-F89 AromaticContact CZ2-CG 3.99Å; W59-F89 HydrophobicContact CZ2-CG 3.99Å; W59-F89 HydrophobicContact CZ3-CE2 4.42Å; W59-E93 HydrophobicContact CZ2-CB 4.24Å; W59-E93 HydrophobicContact CZ2-CG 4.34Å; W59-E93 PolarHBondContact NE1-O 2.67Å; W59-N94 PolarHBondContact N-O 3.03Å; W59-H95 VanDerWaalsContact CH2-C 3.45Å; W59-H95 WeakPolarHBondContact CH2-O 3.49Å; W59-H95 VanDerWaalsContact CZ3-C 3.48Å; W59-L111 HydrophobicContact CB-CD2 3.35Å; W59-L111 HydrophobicContact CD2-CD1 4.42Å; W59-L111 HydrophobicContact CD2-CD2 3.72Å; W59-L111 HydrophobicContact CE3-CD2 4.18Å; W59-L111 HydrophobicContact CG-CD2 3.34Å
60	H	93.4	Very high	85.1	Confident	99 Å²	99	63.2 Å²	63.2	46%	0.458	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	147.6	174	-59.3	78.6	0	0	0	110	P43 R44	P43-H60 WeakPolarHBondContact CB-O 3.48Å; R44-H60 HydrophobicContact CB-CB 4.31Å; R44-H60 PolarHBondContact N-O 3.19Å; R44-H60 PolarHBondContact O-N 3.14Å
61	P	90.2	Very high	85.8	Confident	80 Å²	80	60.5 Å²	60.5	52%	0.519	35%	0.346	S	S	.	.			trans	-57.2	153.2	177.2	21.5	-31.8	0	0	0	112.5	Y72	P61-Y72 VanDerWaalsContact CA-OH 3.28Å; P61-Y72 WeakPolarHBondContact CA-OH 3.33Å; P61-Y72 WeakPolarHBondContact CB-OH 3.42Å
62	P	89.9	Confident	87.1	Confident	11 Å²	11	53.2 Å²	53.2	7%	0.071	31%	0.306	C	S	.	.			trans	-61.9	151.3	173.2	-16.3	29.3	0	0	0	111.9	P40 E41 P43 I64 T65 A113	P40-P62 HydrophobicContact CB-CG 4.29Å; E41-P62 HydrophobicContact CB-CB 4.02Å; E41-P62 WeakPolarHBondContact O-CB 3.42Å; E41-P62 WeakPolarHBondContact O-CG 3.34Å; P43-P62 HydrophobicContact CB-CG 4.2Å; P62-I64 VanDerWaalsContact C-N 3.28Å; P62-I64 PolarHBondContact O-N 2.74Å; P62-T65 HydrophobicContact CB-CG2 4.43Å; P62-T65 HydrophobicContact CG-CG2 4.5Å; P62-A113 HydrophobicContact CG-CB 3.53Å
63	A	84.9	Confident	88.3	Confident	99 Å²	99	47.9 Å²	47.9	82%	0.818	28%	0.277	S	S	*	.	S	Bend	trans	-66.4	-32.2	177.2	0	0	0	0	0	112.3
64	I	84.8	Confident	89.1	Confident	77 Å²	77	47 Å²	47	40%	0.395	27%	0.268	S	S	.	.			trans	-127.3	118.9	178.3	-50.1	-179	0	0	0	109.2	E41 P62 H66	E41-I64 HydrophobicContact CG-CB 4.15Å; E41-I64 PolarHBondContact N-O 2.83Å; P62-I64 VanDerWaalsContact C-N 3.28Å; P62-I64 PolarHBondContact O-N 2.74Å; I64-H66 VanDerWaalsContact CG2-CE1 3.42Å; I64-H66 WeakPolarHBondContact CG2-CE1 3.37Å; I64-H66 VanDerWaalsContact CG2-NE2 3.31Å; I64-H66 WeakPolarHBondContact CG2-NE2 3.36Å
65	T	80.6	Confident	89.6	Confident	39 Å²	39	49.2 Å²	49.2	24%	0.239	27%	0.273	C	S	.	.			trans	-110	-8.6	-176.3	60	0	0	0	0	114.2	P62 G67 L69 N115	P62-T65 HydrophobicContact CB-CG2 4.43Å; P62-T65 HydrophobicContact CG-CG2 4.5Å; T65-G67 WeakPolarHBondContact CB-O 3.46Å; T65-G67 PolarHBondContact O-N 2.81Å; T65-G67 VanDerWaalsContact O-N 3.16Å; T65-G67 PolarHBondContact OG1-O 2.8Å; T65-L69 HydrophobicContact CG2-CD1 4.43Å; T65-N115 PolarHBondContact O-ND2 3.47Å
66	H	78.3	Confident	89.7	Confident	89 Å²	89	49.7 Å²	49.7	41%	0.412	28%	0.275	S	S	.	.	S	Bend	trans	46.9	42.6	-178.9	-62.1	-70.4	0	0	0	113.7	A38 V39 I64 N115	A38-H66 HydrophobicContact CB-CB 3.9Å; A38-H66 WeakPolarHBondContact O-CB 3.4Å; V39-H66 PolarHBondContact O-CD2 2.83Å; I64-H66 VanDerWaalsContact CG2-CE1 3.42Å; I64-H66 WeakPolarHBondContact CG2-CE1 3.37Å; I64-H66 VanDerWaalsContact CG2-NE2 3.31Å; I64-H66 WeakPolarHBondContact CG2-NE2 3.36Å; H66-N115 PolarHBondContact O-ND2 2.91Å
67	G	79.8	Confident	89.6	Confident	31 Å²	31	47.9 Å²	47.9	32%	0.32	27%	0.269	S	S	.	.	S	Bend	trans	134.8	178.3	-177.1	0	0	0	0	0	112.6	T65 L69	T65-G67 WeakPolarHBondContact CB-O 3.46Å; T65-G67 PolarHBondContact O-N 2.81Å; T65-G67 VanDerWaalsContact O-N 3.16Å; T65-G67 PolarHBondContact OG1-O 2.8Å; G67-L69 PolarHBondContact O-N 2.8Å
68	P	83.4	Confident	89.2	Confident	104 Å²	104	49.2 Å²	49.2	68%	0.675	27%	0.274	S	S	*	.			trans	-60.6	132.3	174.7	-20.7	32.4	0	0	0	111.1	N115	P68-N115 WeakPolarHBondContact O-CB 3.49Å
69	L	88.8	Confident	88.7	Confident	25 Å²	25	51 Å²	51	13%	0.131	28%	0.28	C	S	.	.			trans	-70.8	136.9	173.9	-170.9	73.6	0	0	0	109	T65 G67 Y72 E91 A113 R114	T65-L69 HydrophobicContact CG2-CD1 4.43Å; G67-L69 PolarHBondContact O-N 2.8Å; L69-Y72 HydrophobicContact CD2-CE1 4.15Å; L69-Y72 HydrophobicContact CD2-CE2 3.95Å; L69-Y72 VanDerWaalsContact CD2-OH 3.28Å; L69-Y72 WeakPolarHBondContact CD2-OH 3.26Å; L69-E91 HydrophobicContact CD2-CB 4.42Å; L69-A113 HydrophobicContact CD1-CB 3.81Å; L69-R114 WeakPolarHBondContact CD1-O 3.46Å
70	Q	90.5	Very high	87.9	Confident	101 Å²	101	55.6 Å²	55.6	47%	0.472	31%	0.305	S	S	.	.			trans	-107.3	-21.5	179	-67.9	-176	-18.3	0	0	112.5	R114 N115	Q70-R114 HydrophobicContact CB-CG 4.42Å; Q70-R114 PolarHBondContact N-O 3.25Å; Q70-N115 PolarHBondContact OE1-O 3.13Å
71	G	92.1	Very high	87.1	Confident	4 Å²	4	53.9 Å²	53.9	4%	0.041	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.8	-167.9	-179.1	0	0	0	0	0	113.6	F89 R114	G71-F89 CarbonylContact C-O 3.44Å; G71-F89 WeakPolarHBondContact CA-O 3.09Å; G71-R114 PolarHBondContact O-N 2.85Å
72	Y	96.3	Very high	86.4	Confident	8 Å²	8	56.8 Å²	56.8	3%	0.031	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	155.9	-179.9	-55.8	-87.2	0	0	0	111.2	P43 W59 P61 L69 E88 F89 E93 S112 A113	P43-Y72 HydrophobicContact CB-CD1 4.38Å; P43-Y72 HydrophobicContact CB-CE1 4.1Å; W59-Y72 AromaticContact CD1-CE1 3.94Å; W59-Y72 AromaticContact CD1-CZ 3.86Å; W59-Y72 AromaticContact NE1-CD2 3.44Å; W59-Y72 AromaticContact NE1-CE2 3.5Å; W59-Y72 AromaticContact NE1-CG 3.73Å; W59-Y72 AromaticContact NE1-CZ 3.83Å; P61-Y72 VanDerWaalsContact CA-OH 3.28Å; P61-Y72 WeakPolarHBondContact CA-OH 3.33Å; P61-Y72 WeakPolarHBondContact CB-OH 3.42Å; L69-Y72 HydrophobicContact CD2-CE1 4.15Å; L69-Y72 HydrophobicContact CD2-CE2 3.95Å; L69-Y72 VanDerWaalsContact CD2-OH 3.28Å; L69-Y72 WeakPolarHBondContact CD2-OH 3.26Å; Y72-E88 CarbonylContact O-C 3.59Å; Y72-E88 VanDerWaalsContact O-CA 3.28Å; Y72-E88 WeakPolarHBondContact O-CA 3.44Å; Y72-F89 PolarHBondContact N-O 3.46Å; Y72-F89 PolarHBondContact O-N 2.98Å; Y72-E93 WeakPolarHBondContact CE2-O 3.32Å; Y72-S112 CarbonylContact C-O 3.54Å; Y72-S112 WeakPolarHBondContact CA-O 3.4Å; Y72-A113 HydrophobicContact CD1-CB 3.99Å; Y72-A113 HydrophobicContact CE1-CB 4.03Å
73	R	96.3	Very high	86	Confident	55 Å²	55	62 Å²	62	21%	0.208	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	119.5	169	178.5	-173.3	72.5	-166.9	2	109.8	R75 V86 I87 E88 L111 S112 F119 E122	R73-R75 HydrophobicContact CG-CG 4.26Å; R73-V86 HydrophobicContact CG-CG1 3.77Å; R73-I87 CarbonylContact C-O 3.58Å; R73-I87 WeakPolarHBondContact CA-O 3.32Å; R73-E88 HydrophobicContact CB-CG 4.21Å; R73-E88 HydrophobicContact CG-CG 4.15Å; R73-L111 WeakPolarHBondContact O-CA 3.38Å; R73-S112 PolarHBondContact N-O 2.8Å; R73-S112 PolarHBondContact O-N 2.93Å; R73-S112 PolarHBondContact O-OG 2.92Å; R73-F119 HydrophobicContact CB-CD1 3.86Å; R73-F119 HydrophobicContact CB-CE1 3.35Å; R73-F119 HydrophobicContact CB-CZ 3.91Å; R73-F119 HydrophobicContact CG-CE1 4.41Å; R73-E122 IonicContact CZ-OE1 3.1Å; R73-E122 IonicContact NE-OE1 3.08Å; R73-E122 IonicContact NH2-OE1 2.65Å; R73-E122 PolarHBondContact NH2-OE1 3.33Å
74	L	94.5	Very high	86	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.2	172.2	178.3	68.1	0	0	0	109.5	L57 F76 V86 I87 F89 Y96 F109 R110 L111	L57-L74 HydrophobicContact CD2-CD1 3.56Å; L57-L74 HydrophobicContact CD2-CD2 3.61Å; L57-L74 HydrophobicContact CD2-CG 4.23Å; L74-F76 HydrophobicContact CD2-CD1 3.66Å; L74-F76 HydrophobicContact CD2-CE1 4.13Å; L74-F76 HydrophobicContact CD2-CG 4.41Å; L74-F76 HydrophobicContact CG-CB 4.46Å; L74-F76 HydrophobicContact CG-CD1 3.86Å; L74-V86 CarbonylContact O-C 3.57Å; L74-V86 WeakPolarHBondContact O-CA 3.32Å; L74-I87 PolarHBondContact N-O 2.95Å; L74-I87 PolarHBondContact O-N 2.97Å; L74-F89 HydrophobicContact CB-CD2 4.42Å; L74-F89 HydrophobicContact CB-CE2 3.71Å; L74-F89 HydrophobicContact CD2-CE2 4.11Å; L74-F89 HydrophobicContact CD2-CZ 4.45Å; L74-Y96 HydrophobicContact CD2-CD1 3.77Å; L74-Y96 HydrophobicContact CD2-CE1 4.32Å; L74-Y96 HydrophobicContact CD2-CG 4.48Å; L74-F109 HydrophobicContact CD1-CB 4.41Å; L74-R110 CarbonylContact C-O 3.57Å; L74-R110 WeakPolarHBondContact CA-O 3.32Å; L74-L111 HydrophobicContact CB-CD1 3.96Å; L74-L111 HydrophobicContact CD1-CB 4.42Å; L74-L111 HydrophobicContact CD1-CD1 4.28Å
75	R	93.4	Very high	86.2	Confident	74 Å²	74	58.3 Å²	58.3	28%	0.279	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118.7	168.5	-51.4	-168.4	-75.1	166	-3.8	108.5	R73 T85 V86 R110 E122	R73-R75 HydrophobicContact CG-CG 4.26Å; R75-T85 CarbonylContact C-O 3.59Å; R75-T85 VanDerWaalsContact CA-O 3.23Å; R75-T85 WeakPolarHBondContact CA-O 3.41Å; R75-V86 HydrophobicContact CB-CG2 4.49Å; R75-V86 HydrophobicContact CG-CG1 4.19Å; R75-V86 HydrophobicContact CG-CG2 3.95Å; R75-R110 HydrophobicContact CB-CB 4.26Å; R75-R110 PolarHBondContact N-O 3.43Å; R75-R110 PolarHBondContact O-N 3.38Å; R75-E122 IonicContact CZ-OE1 3.98Å; R75-E122 IonicContact CZ-OE2 3.24Å; R75-E122 IonicContact NE-OE1 2.72Å; R75-E122 PolarHBondContact NE-OE1 2.77Å; R75-E122 IonicContact NE-OE2 2.73Å; R75-E122 IonicContact NH2-OE1 3.99Å; R75-E122 PolarHBondContact NH2-OE1 2.89Å; R75-E122 IonicContact NH2-OE2 3.13Å; R75-E122 PolarHBondContact NH2-OE2 3.03Å
76	F	91.8	Very high	86.7	Confident	9 Å²	9	60.3 Å²	60.3	4%	0.039	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	154.7	-178.3	79.2	-78.8	0	0	0	113.9	L74 T85 I87 Y96 T98 T108 F109	L74-F76 HydrophobicContact CD2-CD1 3.66Å; L74-F76 HydrophobicContact CD2-CE1 4.13Å; L74-F76 HydrophobicContact CD2-CG 4.41Å; L74-F76 HydrophobicContact CG-CB 4.46Å; L74-F76 HydrophobicContact CG-CD1 3.86Å; F76-T85 HydrophobicContact CE1-CG2 3.97Å; F76-T85 HydrophobicContact CZ-CG2 4.26Å; F76-T85 PolarHBondContact N-O 2.88Å; F76-T85 WeakPolarHBondContact O-CA 3.29Å; F76-T85 WeakPolarHBondContact O-CB 3.1Å; F76-T85 PolarHBondContact O-N 3.08Å; F76-I87 HydrophobicContact CE1-CD1 3.77Å; F76-I87 HydrophobicContact CE1-CG1 4.32Å; F76-I87 HydrophobicContact CZ-CD1 4.48Å; F76-Y96 AromaticContact CE1-CE1 3.78Å; F76-Y96 HydrophobicContact CE1-CE1 3.78Å; F76-Y96 AromaticContact CZ-CE1 3.83Å; F76-Y96 HydrophobicContact CZ-CE1 3.83Å; F76-T98 HydrophobicContact CD2-CG2 4.45Å; F76-T98 HydrophobicContact CE2-CG2 3.96Å; F76-T98 WeakPolarHBondContact CE2-OG1 3.09Å; F76-T108 WeakPolarHBondContact CA-O 2.92Å; F76-T108 WeakPolarHBondContact CB-O 3.17Å; F76-F109 HydrophobicContact CB-CB 4.33Å; F76-F109 HydrophobicContact CB-CD1 3.24Å; F76-F109 HydrophobicContact CB-CE1 3.77Å; F76-F109 HydrophobicContact CB-CG 4.03Å; F76-F109 AromaticContact CD2-CD1 3.95Å; F76-F109 HydrophobicContact CD2-CD1 3.95Å; F76-F109 AromaticContact CD2-CE1 3.56Å; F76-F109 HydrophobicContact CD2-CE1 3.56Å; F76-F109 HydrophobicContact CE2-CE1 4.47Å; F76-F109 AromaticContact CG-CD1 3.76Å; F76-F109 HydrophobicContact CG-CD1 3.76Å; F76-F109 AromaticContact CG-CE1 3.87Å; F76-F109 HydrophobicContact CG-CE1 3.87Å
77	G	88.8	Confident	87.4	Confident	11 Å²	11	58 Å²	58	11%	0.113	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.3	176.8	-176.7	0	0	0	0	0	111	Y107 T108	G77-Y107 WeakPolarHBondContact O-CA 3.15Å; G77-T108 PolarHBondContact N-O 3.28Å; G77-T108 PolarHBondContact O-N 3.04Å
78	R	86.7	Confident	88	Confident	28 Å²	28	62 Å²	62	11%	0.106	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	143.8	175.2	-60	172.6	56.1	115.9	-3.3	110	D80 V81 S106 Y107	R78-D80 WeakPolarHBondContact CB-OD1 3.39Å; R78-D80 IonicContact CZ-OD1 2.73Å; R78-D80 IonicContact CZ-OD2 3.78Å; R78-D80 IonicContact NE-OD1 3.4Å; R78-D80 PolarHBondContact NE-OD1 3.01Å; R78-D80 IonicContact NE-OD2 2.87Å; R78-D80 IonicContact NH2-OD1 3.87Å; R78-D80 PolarHBondContact NH2-OD1 3.33Å; R78-D80 IonicContact NH2-OD2 3.34Å; R78-D80 PolarHBondContact NH2-OD2 3.18Å; R78-D80 PolarHBondContact O-N 3.42Å; R78-V81 HydrophobicContact CB-CB 4.33Å; R78-V81 HydrophobicContact CB-CG2 4.23Å; R78-V81 PolarHBondContact O-N 3.15Å; R78-V81 VanDerWaalsContact O-O 3.09Å; R78-S106 CarbonylContact C-O 3.53Å; R78-S106 WeakPolarHBondContact CA-O 3.32Å; R78-Y107 HydrophobicContact CB-CE1 4.43Å; R78-Y107 HydrophobicContact CG-CD1 4.04Å; R78-Y107 HydrophobicContact CG-CD2 4.4Å; R78-Y107 HydrophobicContact CG-CE1 3.45Å; R78-Y107 VanDerWaalsContact CG-CE1 3.45Å; R78-Y107 HydrophobicContact CG-CE2 3.84Å; R78-Y107 HydrophobicContact CG-CG 4.48Å; R78-Y107 WeakPolarHBondContact CG-OH 3.23Å
79	K	83.1	Confident	88.5	Confident	124 Å²	124	58.2 Å²	58.2	54%	0.539	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-21	-178.4	-167.8	169.7	-179.4	163.2	0	113.2	S106 E126	K79-S106 PolarHBondContact N-O 3.45Å; K79-E126 IonicContact NZ-OE1 2.66Å; K79-E126 PolarHBondContact NZ-OE1 2.76Å; K79-E126 IonicContact NZ-OE2 2.81Å; K79-E126 PolarHBondContact NZ-OE2 3.28Å
80	D	78.1	Confident	88.6	Confident	100 Å²	100	60.7 Å²	60.7	54%	0.535	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	4.1	179.6	61.2	-25.1	0	0	0	113.6	R78	R78-D80 WeakPolarHBondContact CB-OD1 3.39Å; R78-D80 IonicContact CZ-OD1 2.73Å; R78-D80 IonicContact CZ-OD2 3.78Å; R78-D80 IonicContact NE-OD1 3.4Å; R78-D80 PolarHBondContact NE-OD1 3.01Å; R78-D80 IonicContact NE-OD2 2.87Å; R78-D80 IonicContact NH2-OD1 3.87Å; R78-D80 PolarHBondContact NH2-OD1 3.33Å; R78-D80 IonicContact NH2-OD2 3.34Å; R78-D80 PolarHBondContact NH2-OD2 3.18Å; R78-D80 PolarHBondContact O-N 3.42Å
81	V	77.2	Confident	88.5	Confident	63 Å²	63	60.5 Å²	60.5	38%	0.382	32%	0.318	S	S	.	.	S	Bend	trans	-135.3	119.8	-176.7	-176.8	0	0	0	0	110.6	R78 L160	R78-V81 HydrophobicContact CB-CB 4.33Å; R78-V81 HydrophobicContact CB-CG2 4.23Å; R78-V81 PolarHBondContact O-N 3.15Å; R78-V81 VanDerWaalsContact O-O 3.09Å; V81-L160 HydrophobicContact CG2-CD2 4.22Å
82	D	75.2	Confident	88.2	Confident	140 Å²	140	70.5 Å²	70.5	75%	0.749	36%	0.355	S	S	*	.	S	Bend	trans	-109.5	147.8	171.6	-77.7	-50.9	0	0	0	110.9
83	P	80.6	Confident	88.1	Confident	120 Å²	120	73.5 Å²	73.5	78%	0.779	37%	0.369	S	S	*	.	S	Bend	cis	-84.8	155.4	-0.4	33.9	-34.6	0	0	0	113.6
84	L	85.9	Confident	87.9	Confident	30 Å²	30	75.2 Å²	75.2	16%	0.157	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-66	144.4	171.2	-59.1	178	0	0	0	111.4	T108	L84-T108 HydrophobicContact CD1-CG2 3.77Å; L84-T108 HydrophobicContact CD2-CG2 3.79Å; L84-T108 HydrophobicContact CG-CG2 4.47Å
85	T	88.9	Confident	87.8	Confident	69 Å²	69	79.1 Å²	79.1	42%	0.423	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	131.8	173.4	-59.8	0	0	0	0	109.9	R75 F76 I87	R75-T85 CarbonylContact C-O 3.59Å; R75-T85 VanDerWaalsContact CA-O 3.23Å; R75-T85 WeakPolarHBondContact CA-O 3.41Å; F76-T85 HydrophobicContact CE1-CG2 3.97Å; F76-T85 HydrophobicContact CZ-CG2 4.26Å; F76-T85 PolarHBondContact N-O 2.88Å; F76-T85 WeakPolarHBondContact O-CA 3.29Å; F76-T85 WeakPolarHBondContact O-CB 3.1Å; F76-T85 PolarHBondContact O-N 3.08Å; T85-I87 HydrophobicContact CG2-CD1 4.44Å; T85-I87 HydrophobicContact CG2-CG1 4.18Å
86	V	91.5	Very high	87.7	Confident	81 Å²	81	78.6 Å²	78.6	49%	0.491	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.7	179.6	-174.9	0	0	0	0	109.9	R73 L74 R75	R73-V86 HydrophobicContact CG-CG1 3.77Å; L74-V86 CarbonylContact O-C 3.57Å; L74-V86 WeakPolarHBondContact O-CA 3.32Å; R75-V86 HydrophobicContact CB-CG2 4.49Å; R75-V86 HydrophobicContact CG-CG1 4.19Å; R75-V86 HydrophobicContact CG-CG2 3.95Å
87	I	92.4	Very high	87.7	Confident	42 Å²	42	81.2 Å²	81.2	22%	0.215	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.5	176.2	-53.6	-177.7	0	0	0	108.5	R73 L74 F76 T85 F89 Y96	R73-I87 CarbonylContact C-O 3.58Å; R73-I87 WeakPolarHBondContact CA-O 3.32Å; L74-I87 PolarHBondContact N-O 2.95Å; L74-I87 PolarHBondContact O-N 2.97Å; F76-I87 HydrophobicContact CE1-CD1 3.77Å; F76-I87 HydrophobicContact CE1-CG1 4.32Å; F76-I87 HydrophobicContact CZ-CD1 4.48Å; T85-I87 HydrophobicContact CG2-CD1 4.44Å; T85-I87 HydrophobicContact CG2-CG1 4.18Å; I87-F89 HydrophobicContact CB-CE2 4.23Å; I87-F89 HydrophobicContact CB-CZ 4.09Å; I87-F89 HydrophobicContact CG2-CD1 4.36Å; I87-F89 HydrophobicContact CG2-CE1 3.73Å; I87-F89 HydrophobicContact CG2-CE2 3.93Å; I87-F89 HydrophobicContact CG2-CZ 3.48Å; I87-F89 VanDerWaalsContact CG2-CZ 3.48Å; I87-Y96 HydrophobicContact CD1-CE1 3.87Å; I87-Y96 HydrophobicContact CD1-CE2 3.99Å; I87-Y96 VanDerWaalsContact CD1-CZ 3.45Å; I87-Y96 VanDerWaalsContact CD1-OH 3.26Å; I87-Y96 WeakPolarHBondContact CD1-OH 3.43Å
88	E	92.9	Very high	87.6	Confident	113 Å²	113	80.9 Å²	80.9	53%	0.528	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	140.5	173.5	-62.6	-167	173.1	0	0	110.6	Y72 R73 F119	Y72-E88 CarbonylContact O-C 3.59Å; Y72-E88 VanDerWaalsContact O-CA 3.28Å; Y72-E88 WeakPolarHBondContact O-CA 3.44Å; R73-E88 HydrophobicContact CB-CG 4.21Å; R73-E88 HydrophobicContact CG-CG 4.15Å; E88-F119 WeakPolarHBondContact OE1-CZ 3.47Å
89	F	94	Very high	87.3	Confident	25 Å²	25	87.9 Å²	87.9	11%	0.11	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	146.5	-177.7	-59.9	-75.5	0	0	0	110.9	W59 G71 Y72 L74 I87 E93 Y96	W59-F89 HydrophobicContact CH2-CD1 4.42Å; W59-F89 AromaticContact CH2-CD2 3.74Å; W59-F89 HydrophobicContact CH2-CD2 3.74Å; W59-F89 HydrophobicContact CH2-CE1 4.35Å; W59-F89 AromaticContact CH2-CE2 3.64Å; W59-F89 HydrophobicContact CH2-CE2 3.64Å; W59-F89 HydrophobicContact CH2-CG 4.13Å; W59-F89 AromaticContact CH2-CZ 3.98Å; W59-F89 HydrophobicContact CH2-CZ 3.98Å; W59-F89 HydrophobicContact CZ2-CB 4.34Å; W59-F89 AromaticContact CZ2-CD2 3.78Å; W59-F89 HydrophobicContact CZ2-CD2 3.78Å; W59-F89 HydrophobicContact CZ2-CE2 4.19Å; W59-F89 AromaticContact CZ2-CG 3.99Å; W59-F89 HydrophobicContact CZ2-CG 3.99Å; W59-F89 HydrophobicContact CZ3-CE2 4.42Å; G71-F89 CarbonylContact C-O 3.44Å; G71-F89 WeakPolarHBondContact CA-O 3.09Å; Y72-F89 PolarHBondContact N-O 3.46Å; Y72-F89 PolarHBondContact O-N 2.98Å; L74-F89 HydrophobicContact CB-CD2 4.42Å; L74-F89 HydrophobicContact CB-CE2 3.71Å; L74-F89 HydrophobicContact CD2-CE2 4.11Å; L74-F89 HydrophobicContact CD2-CZ 4.45Å; I87-F89 HydrophobicContact CB-CE2 4.23Å; I87-F89 HydrophobicContact CB-CZ 4.09Å; I87-F89 HydrophobicContact CG2-CD1 4.36Å; I87-F89 HydrophobicContact CG2-CE1 3.73Å; I87-F89 HydrophobicContact CG2-CE2 3.93Å; I87-F89 HydrophobicContact CG2-CZ 3.48Å; I87-F89 VanDerWaalsContact CG2-CZ 3.48Å; F89-E93 HydrophobicContact CB-CB 3.83Å; F89-E93 HydrophobicContact CB-CG 4.34Å; F89-E93 HydrophobicContact CD1-CB 4.33Å; F89-E93 HydrophobicContact CD1-CG 3.89Å; F89-E93 HydrophobicContact CG-CB 4.35Å; F89-E93 HydrophobicContact CG-CG 4.35Å; F89-Y96 AromaticContact CE1-CD2 3.92Å; F89-Y96 HydrophobicContact CE1-CD2 3.92Å; F89-Y96 HydrophobicContact CE1-CG 4.3Å; F89-Y96 HydrophobicContact CZ-CD1 4.39Å; F89-Y96 AromaticContact CZ-CD2 3.72Å; F89-Y96 HydrophobicContact CZ-CD2 3.72Å; F89-Y96 HydrophobicContact CZ-CE2 4.42Å; F89-Y96 AromaticContact CZ-CG 3.7Å; F89-Y96 HydrophobicContact CZ-CG 3.7Å
90	P	91.2	Very high	86.7	Confident	77 Å²	77	88.5 Å²	88.5	50%	0.5	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	165.7	172	30.7	-34.8	0	0	0	111.9	R92 E93	P90-R92 PolarHBondContact O-N 3.05Å; P90-E93 HydrophobicContact CG-CB 4.42Å; P90-E93 PolarHBondContact O-N 3.2Å; P90-E93 VanDerWaalsContact O-N 3.14Å
91	E	87.2	Confident	87.1	Confident	98 Å²	98	84.2 Å²	84.2	46%	0.458	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-24.9	-176.7	67.6	177	-172.9	0	0	115.4	L69	L69-E91 HydrophobicContact CD2-CB 4.42Å
92	R	87.3	Confident	87.4	Confident	213 Å²	213	83.5 Å²	83.5	80%	0.804	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-15.2	-175.2	-59.7	-172.1	-178.6	-172	-1.4	113.4	P90	P90-R92 PolarHBondContact O-N 3.05Å
93	E	92.4	Very high	87.8	Confident	72 Å²	72	80.9 Å²	80.9	34%	0.336	40%	0.399	S	S	.	.			trans	-79.4	135.5	-176.7	-147.2	68.9	-162	0	0	110.6	W59 Y72 F89 P90	W59-E93 HydrophobicContact CZ2-CB 4.24Å; W59-E93 HydrophobicContact CZ2-CG 4.34Å; W59-E93 PolarHBondContact NE1-O 2.67Å; Y72-E93 WeakPolarHBondContact CE2-O 3.32Å; F89-E93 HydrophobicContact CB-CB 3.83Å; F89-E93 HydrophobicContact CB-CG 4.34Å; F89-E93 HydrophobicContact CD1-CB 4.33Å; F89-E93 HydrophobicContact CD1-CG 3.89Å; F89-E93 HydrophobicContact CG-CB 4.35Å; F89-E93 HydrophobicContact CG-CG 4.35Å; P90-E93 HydrophobicContact CG-CB 4.42Å; P90-E93 PolarHBondContact O-N 3.2Å; P90-E93 VanDerWaalsContact O-N 3.14Å
94	N	91.8	Very high	87.8	Confident	90 Å²	90	76.2 Å²	76.2	48%	0.481	37%	0.373	S	S	.	.			trans	-133	2.1	-176.1	69.3	-16.3	0	0	0	114	Q58 W59	Q58-N94 CarbonylContact C-O 3.56Å; Q58-N94 WeakPolarHBondContact CA-O 3.25Å; W59-N94 PolarHBondContact N-O 3.03Å
95	H	92.9	Very high	87.8	Confident	82 Å²	82	75 Å²	75	38%	0.38	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	159.5	178.6	70.4	-75	0	0	0	112.5	L57 Q58 W59	L57-H95 CarbonylContact O-C 3.47Å; L57-H95 WeakPolarHBondContact O-CA 3.45Å; L57-H95 VanDerWaalsContact O-CB 3.3Å; L57-H95 WeakPolarHBondContact O-CB 3.45Å; Q58-H95 HydrophobicContact CG-CB 3.94Å; W59-H95 VanDerWaalsContact CH2-C 3.45Å; W59-H95 WeakPolarHBondContact CH2-O 3.49Å; W59-H95 VanDerWaalsContact CZ3-C 3.48Å
96	Y	92.7	Very high	87.8	Confident	64 Å²	64	74 Å²	74	25%	0.251	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	139.2	175.8	177	-111	0	0	0	110.3	L57 L74 F76 I87 F89	L57-Y96 WeakPolarHBondContact CB-O 3.36Å; L57-Y96 PolarHBondContact N-O 3.31Å; L57-Y96 PolarHBondContact O-N 3.45Å; L74-Y96 HydrophobicContact CD2-CD1 3.77Å; L74-Y96 HydrophobicContact CD2-CE1 4.32Å; L74-Y96 HydrophobicContact CD2-CG 4.48Å; F76-Y96 AromaticContact CE1-CE1 3.78Å; F76-Y96 HydrophobicContact CE1-CE1 3.78Å; F76-Y96 AromaticContact CZ-CE1 3.83Å; F76-Y96 HydrophobicContact CZ-CE1 3.83Å; I87-Y96 HydrophobicContact CD1-CE1 3.87Å; I87-Y96 HydrophobicContact CD1-CE2 3.99Å; I87-Y96 VanDerWaalsContact CD1-CZ 3.45Å; I87-Y96 VanDerWaalsContact CD1-OH 3.26Å; I87-Y96 WeakPolarHBondContact CD1-OH 3.43Å; F89-Y96 AromaticContact CE1-CD2 3.92Å; F89-Y96 HydrophobicContact CE1-CD2 3.92Å; F89-Y96 HydrophobicContact CE1-CG 4.3Å; F89-Y96 HydrophobicContact CZ-CD1 4.39Å; F89-Y96 AromaticContact CZ-CD2 3.72Å; F89-Y96 HydrophobicContact CZ-CD2 3.72Å; F89-Y96 HydrophobicContact CZ-CE2 4.42Å; F89-Y96 AromaticContact CZ-CG 3.7Å; F89-Y96 HydrophobicContact CZ-CG 3.7Å
97	T	90.6	Very high	87.7	Confident	64 Å²	64	70.7 Å²	70.7	39%	0.393	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.1	175	-56.2	0	0	0	0	110.2	A55 L56	A55-T97 WeakPolarHBondContact O-CA 3.43Å; L56-T97 WeakPolarHBondContact CD1-OG1 3.39Å
98	T	86.7	Confident	87.7	Confident	4 Å²	4	69 Å²	69	3%	0.025	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	139.7	171.5	177.5	0	0	0	0	111	T54 A55 L57 F76 I101 F109	T54-T98 CarbonylContact C-O 3.54Å; T54-T98 WeakPolarHBondContact CA-O 3.3Å; T54-T98 VanDerWaalsContact CB-O 3.23Å; T54-T98 WeakPolarHBondContact CB-O 3.42Å; A55-T98 HydrophobicContact CB-CG2 3.8Å; A55-T98 PolarHBondContact N-O 3.29Å; A55-T98 PolarHBondContact O-N 3.33Å; L57-T98 HydrophobicContact CD1-CG2 4.25Å; F76-T98 HydrophobicContact CD2-CG2 4.45Å; F76-T98 HydrophobicContact CE2-CG2 3.96Å; F76-T98 WeakPolarHBondContact CE2-OG1 3.09Å; T98-I101 HydrophobicContact CG2-CD1 3.74Å; T98-I101 HydrophobicContact CG2-CG1 3.86Å; T98-F109 HydrophobicContact CG2-CE1 4.17Å
99	K	80.1	Confident	87.7	Confident	174 Å²	174	63.7 Å²	63.7	76%	0.757	31%	0.308	S	S	*	.	S	Bend	trans	-104.1	5.1	-177.5	-62.4	-179.7	-179.5	176.6	0	114.1	G53 T54	G53-K99 CarbonylContact O-C 3.42Å; G53-K99 VanDerWaalsContact O-C 3.31Å; T54-K99 HydrophobicContact CG2-CB 4.36Å; T54-K99 HydrophobicContact CG2-CG 4.17Å
100	E	72.2	Confident	87.8	Confident	138 Å²	138	66.7 Å²	66.7	65%	0.645	32%	0.319	S	S	*	.			trans	-113.9	40.5	-170.8	-62.1	-176.8	173.7	0	0	112.3	Y107	E100-Y107 PolarHBondContact O-OH 3.34Å
101	I	84.6	Confident	88	Confident	10 Å²	10	63 Å²	63	5%	0.051	30%	0.295	C	S	.	.			trans	-95.9	103.2	178.3	-55.7	-60.9	0	0	0	109.2	T49 G53 A55 T98 Y107 F109 T129	T49-I101 HydrophobicContact CG2-CG2 4.38Å; G53-I101 WeakPolarHBondContact CA-O 3.45Å; G53-I101 WeakPolarHBondContact O-CB 3.34Å; G53-I101 PolarHBondContact O-N 3.49Å; A55-I101 HydrophobicContact CB-CD1 4.16Å; A55-I101 HydrophobicContact CB-CG1 3.73Å; T98-I101 HydrophobicContact CG2-CD1 3.74Å; T98-I101 HydrophobicContact CG2-CG1 3.86Å; I101-Y107 HydrophobicContact CB-CE2 4.49Å; I101-Y107 HydrophobicContact CD1-CD1 3.57Å; I101-Y107 HydrophobicContact CD1-CD2 4.17Å; I101-Y107 HydrophobicContact CD1-CE1 3.56Å; I101-Y107 HydrophobicContact CD1-CE2 4.17Å; I101-Y107 HydrophobicContact CD1-CG 3.89Å; I101-Y107 HydrophobicContact CG2-CD2 4.15Å; I101-Y107 HydrophobicContact CG2-CE2 3.87Å; I101-F109 HydrophobicContact CD1-CZ 3.94Å; I101-T129 HydrophobicContact CG2-CG2 3.52Å
102	H	84.4	Confident	88.4	Confident	48 Å²	48	58.4 Å²	58.4	22%	0.222	27%	0.274	C	S	.	.			trans	-75	143.4	175.7	-55.8	152.5	0	0	0	110.6	Y107 T129	H102-Y107 PolarHBondContact N-OH 3.44Å; H102-T129 PolarHBondContact O-OG1 3.43Å
103	K	82.6	Confident	88.6	Confident	84 Å²	84	48.2 Å²	48.2	37%	0.365	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	155	173.1	-58.9	-175.7	-170.7	-178.7	0	111	A105 T129 E132 N164	K103-A105 VanDerWaalsContact C-N 3.27Å; K103-A105 PolarHBondContact O-N 2.92Å; K103-T129 WeakPolarHBondContact CA-OG1 3.15Å; K103-E132 WeakPolarHBondContact CD-OE2 3.29Å; K103-E132 WeakPolarHBondContact CE-OE2 3.38Å; K103-E132 IonicContact NZ-OE2 3.45Å; K103-E132 PolarHBondContact NZ-OE2 2.82Å; K103-N164 HydrophobicContact CB-CB 4.18Å; K103-N164 CarbonylContact O-C 3.59Å; K103-N164 WeakPolarHBondContact O-CA 3.28Å
104	G	82.6	Confident	88.7	Confident	23 Å²	23	49.4 Å²	49.4	24%	0.237	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	23.7	178.6	0	0	0	0	0	115.8	T129 N130	G104-T129 WeakPolarHBondContact CA-O 3.41Å; G104-T129 PolarHBondContact N-O 2.8Å; G104-T129 PolarHBondContact N-OG1 3.48Å; G104-N130 PolarHBondContact N-O 2.98Å
105	A	85.1	Confident	88.6	Confident	4 Å²	4	45.1 Å²	45.1	3%	0.033	21%	0.214	C	C	.	.			trans	-126.3	156.2	-176.3	0	0	0	0	0	113.8	K103 Y107 V128 T129	K103-A105 VanDerWaalsContact C-N 3.27Å; K103-A105 PolarHBondContact O-N 2.92Å; A105-Y107 HydrophobicContact CB-CD2 4.33Å; A105-Y107 HydrophobicContact CB-CE2 3.81Å; A105-V128 WeakPolarHBondContact O-CA 3.39Å; A105-T129 PolarHBondContact N-OG1 3.42Å; A105-T129 PolarHBondContact O-N 2.67Å; A105-T129 PolarHBondContact O-OG1 2.95Å
106	S	87.8	Confident	88.2	Confident	49 Å²	49	47.1 Å²	47.1	34%	0.343	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	123.7	174.8	-60.7	0	0	0	0	110.2	R78 K79	R78-S106 CarbonylContact C-O 3.53Å; R78-S106 WeakPolarHBondContact CA-O 3.32Å; K79-S106 PolarHBondContact N-O 3.45Å
107	Y	89.9	Confident	87.9	Confident	11 Å²	11	47.4 Å²	47.4	4%	0.043	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	143.1	176.8	-75.6	-101	0	0	0	110.7	G77 R78 E100 I101 H102 A105 E126 V127	G77-Y107 WeakPolarHBondContact O-CA 3.15Å; R78-Y107 HydrophobicContact CB-CE1 4.43Å; R78-Y107 HydrophobicContact CG-CD1 4.04Å; R78-Y107 HydrophobicContact CG-CD2 4.4Å; R78-Y107 HydrophobicContact CG-CE1 3.45Å; R78-Y107 VanDerWaalsContact CG-CE1 3.45Å; R78-Y107 HydrophobicContact CG-CE2 3.84Å; R78-Y107 HydrophobicContact CG-CG 4.48Å; R78-Y107 WeakPolarHBondContact CG-OH 3.23Å; E100-Y107 PolarHBondContact O-OH 3.34Å; I101-Y107 HydrophobicContact CB-CE2 4.49Å; I101-Y107 HydrophobicContact CD1-CD1 3.57Å; I101-Y107 HydrophobicContact CD1-CD2 4.17Å; I101-Y107 HydrophobicContact CD1-CE1 3.56Å; I101-Y107 HydrophobicContact CD1-CE2 4.17Å; I101-Y107 HydrophobicContact CD1-CG 3.89Å; I101-Y107 HydrophobicContact CG2-CD2 4.15Å; I101-Y107 HydrophobicContact CG2-CE2 3.87Å; H102-Y107 PolarHBondContact N-OH 3.44Å; A105-Y107 HydrophobicContact CB-CD2 4.33Å; A105-Y107 HydrophobicContact CB-CE2 3.81Å; Y107-E126 VanDerWaalsContact O-CA 3.28Å; Y107-E126 WeakPolarHBondContact O-CA 3.15Å; Y107-V127 PolarHBondContact N-O 3.09Å; Y107-V127 PolarHBondContact O-N 2.76Å
108	T	93	Very high	87.6	Confident	7 Å²	7	45.3 Å²	45.3	4%	0.043	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	135.1	170.7	-169.1	0	0	0	0	109.2	F76 G77 L84	F76-T108 WeakPolarHBondContact CA-O 2.92Å; F76-T108 WeakPolarHBondContact CB-O 3.17Å; G77-T108 PolarHBondContact N-O 3.28Å; G77-T108 PolarHBondContact O-N 3.04Å; L84-T108 HydrophobicContact CD1-CG2 3.77Å; L84-T108 HydrophobicContact CD2-CG2 3.79Å; L84-T108 HydrophobicContact CG-CG2 4.47Å
109	F	93.7	Very high	87.7	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	121.2	176.6	-58.6	-88.7	0	0	0	108.2	L45 V47 A55 L57 L74 F76 T98 I101 V124 K125 V127	L45-F109 HydrophobicContact CD2-CB 4.08Å; V47-F109 HydrophobicContact CG1-CD2 4.09Å; V47-F109 HydrophobicContact CG1-CE2 3.89Å; V47-F109 HydrophobicContact CG1-CZ 4.27Å; V47-F109 HydrophobicContact CG2-CB 4.46Å; V47-F109 HydrophobicContact CG2-CD2 4.22Å; V47-F109 HydrophobicContact CG2-CG 4.37Å; A55-F109 HydrophobicContact CB-CZ 4.23Å; L57-F109 HydrophobicContact CD1-CD1 4.02Å; L57-F109 HydrophobicContact CD1-CE1 3.81Å; L57-F109 HydrophobicContact CD1-CZ 4.48Å; L57-F109 HydrophobicContact CD2-CB 4.25Å; L57-F109 HydrophobicContact CD2-CD1 3.56Å; L57-F109 HydrophobicContact CD2-CE1 4.21Å; L57-F109 HydrophobicContact CD2-CG 4.13Å; L57-F109 HydrophobicContact CG-CD1 4.19Å; L57-F109 HydrophobicContact CG-CE1 4.47Å; L74-F109 HydrophobicContact CD1-CB 4.41Å; F76-F109 HydrophobicContact CB-CB 4.33Å; F76-F109 HydrophobicContact CB-CD1 3.24Å; F76-F109 HydrophobicContact CB-CE1 3.77Å; F76-F109 HydrophobicContact CB-CG 4.03Å; F76-F109 AromaticContact CD2-CD1 3.95Å; F76-F109 HydrophobicContact CD2-CD1 3.95Å; F76-F109 AromaticContact CD2-CE1 3.56Å; F76-F109 HydrophobicContact CD2-CE1 3.56Å; F76-F109 HydrophobicContact CE2-CE1 4.47Å; F76-F109 AromaticContact CG-CD1 3.76Å; F76-F109 HydrophobicContact CG-CD1 3.76Å; F76-F109 AromaticContact CG-CE1 3.87Å; F76-F109 HydrophobicContact CG-CE1 3.87Å; T98-F109 HydrophobicContact CG2-CE1 4.17Å; I101-F109 HydrophobicContact CD1-CZ 3.94Å; F109-V124 CarbonylContact O-C 3.31Å; F109-V124 WeakPolarHBondContact O-CA 3.12Å; F109-K125 PolarHBondContact N-O 3.19Å; F109-K125 PolarHBondContact O-N 3.34Å; F109-V127 HydrophobicContact CD2-CG2 4.36Å; F109-V127 HydrophobicContact CE2-CB 4.24Å; F109-V127 HydrophobicContact CE2-CG2 4.08Å
110	R	94.4	Very high	88	Confident	89 Å²	89	39.9 Å²	39.9	34%	0.336	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	116.2	-177.3	-48.1	-171.7	-179.9	-176.3	1.9	109.7	L74 R75 E122 T123 V124	L74-R110 CarbonylContact C-O 3.57Å; L74-R110 WeakPolarHBondContact CA-O 3.32Å; R75-R110 HydrophobicContact CB-CB 4.26Å; R75-R110 PolarHBondContact N-O 3.43Å; R75-R110 PolarHBondContact O-N 3.38Å; R110-E122 HydrophobicContact CB-CB 4.37Å; R110-E122 WeakPolarHBondContact CD-OE2 3.45Å; R110-T123 CarbonylContact C-O 3.49Å; R110-T123 WeakPolarHBondContact CA-O 3.01Å; R110-V124 HydrophobicContact CG-CG1 4.33Å; R110-V124 HydrophobicContact CG-CG2 4.08Å
111	L	95.7	Very high	88.8	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.6	-178	-173.8	74.7	0	0	0	110.8	P43 L45 W59 R73 L74 E122 T123	P43-L111 HydrophobicContact CB-CD2 4.06Å; P43-L111 HydrophobicContact CG-CB 4.25Å; P43-L111 HydrophobicContact CG-CD2 3.72Å; P43-L111 HydrophobicContact CG-CG 3.78Å; P43-L111 WeakPolarHBondContact CG-O 3.21Å; L45-L111 HydrophobicContact CB-CD2 4.32Å; L45-L111 HydrophobicContact CD1-CD2 4.2Å; L45-L111 HydrophobicContact CD2-CB 4.09Å; W59-L111 HydrophobicContact CB-CD2 3.35Å; W59-L111 HydrophobicContact CD2-CD1 4.42Å; W59-L111 HydrophobicContact CD2-CD2 3.72Å; W59-L111 HydrophobicContact CE3-CD2 4.18Å; W59-L111 HydrophobicContact CG-CD2 3.34Å; R73-L111 WeakPolarHBondContact O-CA 3.38Å; L74-L111 HydrophobicContact CB-CD1 3.96Å; L74-L111 HydrophobicContact CD1-CB 4.42Å; L74-L111 HydrophobicContact CD1-CD1 4.28Å; L111-E122 CarbonylContact O-C 3.55Å; L111-E122 WeakPolarHBondContact O-CA 3.31Å; L111-T123 PolarHBondContact N-O 2.96Å; L111-T123 PolarHBondContact O-N 3.46Å
112	S	94.9	Very high	89.1	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	149.9	172.1	39.8	0	0	0	0	111.1	Y72 R73 G120	Y72-S112 CarbonylContact C-O 3.54Å; Y72-S112 WeakPolarHBondContact CA-O 3.4Å; R73-S112 PolarHBondContact N-O 2.8Å; R73-S112 PolarHBondContact O-N 2.93Å; R73-S112 PolarHBondContact O-OG 2.92Å; S112-G120 WeakPolarHBondContact CB-O 3.36Å
113	A	93.5	Very high	89.6	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	148.7	173.2	0	0	0	0	0	110.5	P40 P43 P62 L69 Y72 F119 G120	P40-A113 HydrophobicContact CB-CB 3.84Å; P40-A113 HydrophobicContact CG-CB 4.32Å; P43-A113 HydrophobicContact CG-CB 4.46Å; P62-A113 HydrophobicContact CG-CB 3.53Å; L69-A113 HydrophobicContact CD1-CB 3.81Å; Y72-A113 HydrophobicContact CD1-CB 3.99Å; Y72-A113 HydrophobicContact CE1-CB 4.03Å; A113-F119 WeakPolarHBondContact O-CA 3.31Å; A113-G120 PolarHBondContact O-N 3.12Å
114	R	93.3	Very high	90.1	Very high	96 Å²	96	39.7 Å²	39.7	36%	0.362	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	137	-176.8	-176.1	179.4	175.8	170.8	0.9	112.1	L69 Q70 G71 G118 F119	L69-R114 WeakPolarHBondContact CD1-O 3.46Å; Q70-R114 HydrophobicContact CB-CG 4.42Å; Q70-R114 PolarHBondContact N-O 3.25Å; G71-R114 PolarHBondContact O-N 2.85Å; R114-G118 WeakPolarHBondContact CA-O 3.46Å; R114-F119 HydrophobicContact CB-CD1 3.7Å; R114-F119 HydrophobicContact CB-CE1 3.66Å; R114-F119 HydrophobicContact CB-CG 4.4Å; R114-F119 HydrophobicContact CB-CZ 4.35Å; R114-F119 HydrophobicContact CG-CD1 4.24Å; R114-F119 HydrophobicContact CG-CE1 4.13Å; R114-F119 HydrophobicContact CG-CZ 4.36Å
115	N	90	Very high	90.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.215	C	C	.	.			trans	-122.6	-170.4	162.9	71.5	9.6	0	0	0	110.4	A38 P40 T65 H66 P68 Q70 V117 G118	A38-N115 PolarHBondContact O-ND2 2.87Å; P40-N115 HydrophobicContact CG-CB 3.77Å; T65-N115 PolarHBondContact O-ND2 3.47Å; H66-N115 PolarHBondContact O-ND2 2.91Å; P68-N115 WeakPolarHBondContact O-CB 3.49Å; Q70-N115 PolarHBondContact OE1-O 3.13Å; N115-V117 PolarHBondContact O-N 2.58Å; N115-V117 VanDerWaalsContact O-N 3.09Å; N115-V117 WeakPolarHBondContact OD1-CA 3.39Å; N115-V117 VanDerWaalsContact OD1-CB 3.31Å; N115-V117 WeakPolarHBondContact OD1-CB 3.39Å; N115-V117 PolarHBondContact OD1-N 2.81Å; N115-G118 PolarHBondContact N-O 3.25Å; N115-G118 VanDerWaalsContact N-O 3.08Å; N115-G118 PolarHBondContact O-N 2.78Å; N115-G118 PolarHBondContact OD1-N 2.76Å
116	K	85.2	Confident	91	Very high	125 Å²	125	48.5 Å²	48.5	54%	0.543	24%	0.239	S	C	.	.	S	Bend	trans	-54.9	-25.2	178	69.5	178.3	-176.8	175.4	0	114.7	E9	E9-K116 WeakPolarHBondContact OE1-CE 3.47Å; E9-K116 IonicContact OE1-NZ 3.62Å; E9-K116 PolarHBondContact OE1-NZ 3.31Å; E9-K116 IonicContact OE2-NZ 3.98Å
117	V	84.8	Confident	91	Very high	69 Å²	69	47.3 Å²	47.3	42%	0.418	23%	0.23	S	C	.	.	S	Bend	trans	-85.4	-35.4	-177.8	-175.9	0	0	0	0	111	V39 N115	V39-V117 HydrophobicContact CG1-CB 4.22Å; V39-V117 HydrophobicContact CG1-CG1 3.98Å; N115-V117 PolarHBondContact O-N 2.58Å; N115-V117 VanDerWaalsContact O-N 3.09Å; N115-V117 WeakPolarHBondContact OD1-CA 3.39Å; N115-V117 VanDerWaalsContact OD1-CB 3.31Å; N115-V117 WeakPolarHBondContact OD1-CB 3.39Å; N115-V117 PolarHBondContact OD1-N 2.81Å
118	G	84.4	Confident	90.8	Very high	20 Å²	20	51.7 Å²	51.7	21%	0.206	26%	0.257	C	S	.	.			trans	152.6	-164.5	178.9	0	0	0	0	0	113.5	R114 N115	R114-G118 WeakPolarHBondContact CA-O 3.46Å; N115-G118 PolarHBondContact N-O 3.25Å; N115-G118 VanDerWaalsContact N-O 3.08Å; N115-G118 PolarHBondContact O-N 2.78Å; N115-G118 PolarHBondContact OD1-N 2.76Å
119	F	89.1	Confident	90.5	Very high	54 Å²	54	52.3 Å²	52.3	24%	0.237	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-80.6	132.2	175.1	-69.4	-79.4	0	0	0	111	R73 E88 A113 R114	R73-F119 HydrophobicContact CB-CD1 3.86Å; R73-F119 HydrophobicContact CB-CE1 3.35Å; R73-F119 HydrophobicContact CB-CZ 3.91Å; R73-F119 HydrophobicContact CG-CE1 4.41Å; E88-F119 WeakPolarHBondContact OE1-CZ 3.47Å; A113-F119 WeakPolarHBondContact O-CA 3.31Å; R114-F119 HydrophobicContact CB-CD1 3.7Å; R114-F119 HydrophobicContact CB-CE1 3.66Å; R114-F119 HydrophobicContact CB-CG 4.4Å; R114-F119 HydrophobicContact CB-CZ 4.35Å; R114-F119 HydrophobicContact CG-CD1 4.24Å; R114-F119 HydrophobicContact CG-CE1 4.13Å; R114-F119 HydrophobicContact CG-CZ 4.36Å
120	G	87.4	Confident	90.1	Very high	10 Å²	10	59.4 Å²	59.4	10%	0.103	30%	0.299	C	S	.	.			trans	-75.3	-174.3	172.9	0	0	0	0	0	113.9	P40 S112 A113	P40-G120 WeakPolarHBondContact O-CA 3.28Å; S112-G120 WeakPolarHBondContact CB-O 3.36Å; A113-G120 PolarHBondContact O-N 3.12Å
121	E	88	Confident	89.7	Confident	138 Å²	138	57.9 Å²	57.9	65%	0.645	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-60	150.3	175.1	-68.2	-168.1	165.6	0	0	112.4	K42	K42-E121 HydrophobicContact CB-CB 4.38Å
122	E	91.8	Very high	89.3	Confident	46 Å²	46	61.9 Å²	61.9	22%	0.215	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-94.9	130.9	-178.4	-71	-178.8	163.9	0	0	112.3	R73 R75 R110 L111	R73-E122 IonicContact CZ-OE1 3.1Å; R73-E122 IonicContact NE-OE1 3.08Å; R73-E122 IonicContact NH2-OE1 2.65Å; R73-E122 PolarHBondContact NH2-OE1 3.33Å; R75-E122 IonicContact CZ-OE1 3.98Å; R75-E122 IonicContact CZ-OE2 3.24Å; R75-E122 IonicContact NE-OE1 2.72Å; R75-E122 PolarHBondContact NE-OE1 2.77Å; R75-E122 IonicContact NE-OE2 2.73Å; R75-E122 IonicContact NH2-OE1 3.99Å; R75-E122 PolarHBondContact NH2-OE1 2.89Å; R75-E122 IonicContact NH2-OE2 3.13Å; R75-E122 PolarHBondContact NH2-OE2 3.03Å; R110-E122 HydrophobicContact CB-CB 4.37Å; R110-E122 WeakPolarHBondContact CD-OE2 3.45Å; L111-E122 CarbonylContact O-C 3.55Å; L111-E122 WeakPolarHBondContact O-CA 3.31Å
123	T	94.4	Very high	89.1	Confident	21 Å²	21	64.5 Å²	64.5	13%	0.129	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	118.3	162.8	-66.7	0	0	0	0	109.4	K42 P43 L45 R110 L111	K42-T123 WeakPolarHBondContact CB-OG1 3.28Å; P43-T123 VanDerWaalsContact O-CB 3.26Å; P43-T123 WeakPolarHBondContact O-CB 3.41Å; P43-T123 PolarHBondContact O-OG1 2.76Å; L45-T123 HydrophobicContact CB-CG2 3.76Å; R110-T123 CarbonylContact C-O 3.49Å; R110-T123 WeakPolarHBondContact CA-O 3.01Å; L111-T123 PolarHBondContact N-O 2.96Å; L111-T123 PolarHBondContact O-N 3.46Å
124	V	93.3	Very high	89.1	Confident	72 Å²	72	64.6 Å²	64.6	44%	0.436	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128	177.8	-173.5	0	0	0	0	110.1	F109 R110	F109-V124 CarbonylContact O-C 3.31Å; F109-V124 WeakPolarHBondContact O-CA 3.12Å; R110-V124 HydrophobicContact CG-CG1 4.33Å; R110-V124 HydrophobicContact CG-CG2 4.08Å
125	K	93.3	Very high	88.9	Confident	98 Å²	98	63.5 Å²	63.5	43%	0.426	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	130.5	169.6	-76.1	-67.5	-175.5	179	0	109.6	L45 V47 F109	L45-K125 HydrophobicContact CB-CG 4.45Å; L45-K125 HydrophobicContact CD2-CB 4.11Å; L45-K125 HydrophobicContact CD2-CG 4.03Å; L45-K125 HydrophobicContact CG-CG 4.17Å; L45-K125 WeakPolarHBondContact O-CE 3.3Å; V47-K125 HydrophobicContact CG2-CB 3.8Å; V47-K125 HydrophobicContact CG2-CG 4.2Å; F109-K125 PolarHBondContact N-O 3.19Å; F109-K125 PolarHBondContact O-N 3.34Å
126	E	92.1	Very high	88.9	Confident	113 Å²	113	63.6 Å²	63.6	53%	0.528	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	136.9	173	-61.2	-166.9	157	0	0	109.3	K79 Y107	K79-E126 IonicContact NZ-OE1 2.66Å; K79-E126 PolarHBondContact NZ-OE1 2.76Å; K79-E126 IonicContact NZ-OE2 2.81Å; K79-E126 PolarHBondContact NZ-OE2 3.28Å; Y107-E126 VanDerWaalsContact O-CA 3.28Å; Y107-E126 WeakPolarHBondContact O-CA 3.15Å
127	V	88.6	Confident	89.3	Confident	25 Å²	25	61.4 Å²	61.4	15%	0.152	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132.7	175.2	-175.9	0	0	0	0	109.1	V47 T49 Y107 F109	V47-V127 HydrophobicContact CB-CG2 3.94Å; V47-V127 HydrophobicContact CG1-CG2 3.73Å; T49-V127 HydrophobicContact CG2-CB 4.49Å; T49-V127 HydrophobicContact CG2-CG1 3.52Å; Y107-V127 PolarHBondContact N-O 3.09Å; Y107-V127 PolarHBondContact O-N 2.76Å; F109-V127 HydrophobicContact CD2-CG2 4.36Å; F109-V127 HydrophobicContact CE2-CB 4.24Å; F109-V127 HydrophobicContact CE2-CG2 4.08Å
128	V	86.6	Confident	89.8	Confident	102 Å²	102	58.1 Å²	58.1	62%	0.618	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.6	177.1	-177.8	0	0	0	0	107.6	A105	A105-V128 WeakPolarHBondContact O-CA 3.39Å
129	T	86.4	Confident	90.2	Very high	21 Å²	21	59.7 Å²	59.7	13%	0.129	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-89.5	148.3	173.7	56.2	0	0	0	0	111.1	T49 I101 H102 K103 G104 A105	T49-T129 HydrophobicContact CG2-CG2 4.43Å; I101-T129 HydrophobicContact CG2-CG2 3.52Å; H102-T129 PolarHBondContact O-OG1 3.43Å; K103-T129 WeakPolarHBondContact CA-OG1 3.15Å; G104-T129 WeakPolarHBondContact CA-O 3.41Å; G104-T129 PolarHBondContact N-O 2.8Å; G104-T129 PolarHBondContact N-OG1 3.48Å; A105-T129 PolarHBondContact N-OG1 3.42Å; A105-T129 PolarHBondContact O-N 2.67Å; A105-T129 PolarHBondContact O-OG1 2.95Å
130	N	84.3	Confident	90.2	Very high	148 Å²	148	61 Å²	61	79%	0.791	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-61.4	141.7	177.4	-67.2	-30.2	0	0	0	112.3	G104	G104-N130 PolarHBondContact N-O 2.98Å
131	E	85.9	Confident	90.5	Very high	57 Å²	57	61.4 Å²	61.4	27%	0.266	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-78.6	146.6	175.9	-175.3	169.4	-150.7	0	0	112.1	N164 G165 Q166 T214 S215 K216	E131-N164 WeakPolarHBondContact CA-O 3.21Å; E131-G165 WeakPolarHBondContact OE1-CA 3.42Å; E131-Q166 PolarHBondContact OE1-N 3.33Å; E131-T214 VanDerWaalsContact OE1-CB 3.29Å; E131-T214 WeakPolarHBondContact OE1-CB 3.27Å; E131-S215 VanDerWaalsContact CD-OG 3.27Å; E131-S215 WeakPolarHBondContact OE2-CB 3.27Å; E131-S215 PolarHBondContact OE2-OG 2.85Å; E131-K216 HydrophobicContact CB-CG 4.37Å; E131-K216 HydrophobicContact CG-CG 4.05Å
132	E	87.2	Confident	90.5	Very high	85 Å²	85	58.8 Å²	58.8	40%	0.397	31%	0.305	S	S	.	.			trans	-137.1	176	176.9	-161.4	172.4	-169.5	0	0	110.1	K103 N164 T214	K103-E132 WeakPolarHBondContact CD-OE2 3.29Å; K103-E132 WeakPolarHBondContact CE-OE2 3.38Å; K103-E132 IonicContact NZ-OE2 3.45Å; K103-E132 PolarHBondContact NZ-OE2 2.82Å; E132-N164 HydrophobicContact CB-CB 3.98Å; E132-N164 PolarHBondContact N-O 2.66Å; E132-T214 WeakPolarHBondContact O-CB 3.22Å; E132-T214 WeakPolarHBondContact O-CG2 3.34Å; E132-T214 PolarHBondContact O-OG1 3.43Å
133	V	90.8	Very high	90.4	Very high	55 Å²	55	58 Å²	58	33%	0.333	31%	0.307	S	S	.	.			trans	-65.9	148	171.3	-61.8	0	0	0	0	110.8	S135 N164 K216	V133-S135 PolarHBondContact O-N 2.92Å; V133-N164 WeakPolarHBondContact O-CB 3.29Å; V133-N164 PolarHBondContact O-ND2 3.38Å; V133-N164 VanDerWaalsContact O-ND2 3.12Å; V133-K216 HydrophobicContact CG1-CB 4.11Å
134	P	93.3	Very high	89.8	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.013	32%	0.324	C	S	.	.			trans	-57.4	134.3	172.4	-23.5	34	0	0	0	110.9	E162 I167 A212 T214 G219	P134-E162 CarbonylContact C-O 3.51Å; P134-E162 WeakPolarHBondContact CA-O 3.49Å; P134-I167 HydrophobicContact CB-CD1 4.45Å; P134-I167 HydrophobicContact CG-CD1 3.74Å; P134-A212 HydrophobicContact CG-CB 4.43Å; P134-T214 HydrophobicContact CG-CG2 3.74Å; P134-G219 WeakPolarHBondContact O-CA 3.45Å
135	S	91.1	Very high	88.8	Confident	72 Å²	72	61.8 Å²	61.8	50%	0.503	34%	0.337	S	S	.	.	S	Bend	trans	-87.8	-14	172.5	54	0	0	0	0	112.6	V133 E162 N164 P220	V133-S135 PolarHBondContact O-N 2.92Å; S135-E162 PolarHBondContact N-O 2.73Å; S135-E162 WeakPolarHBondContact OG-CA 3.1Å; S135-E162 PolarHBondContact OG-O 3.41Å; S135-N164 PolarHBondContact N-ND2 3.28Å; S135-N164 PolarHBondContact OG-ND2 3.32Å; S135-P220 WeakPolarHBondContact O-CG 3.48Å
136	G	89.3	Confident	88.2	Confident	3 Å²	3	58.1 Å²	58.1	3%	0.031	33%	0.325	C	S	.	.	S	Bend	trans	-119.1	176.1	179	0	0	0	0	0	113.1	E162	G136-E162 PolarHBondContact N-O 3.14Å
137	Y	94.3	Very high	87.6	Confident	78 Å²	78	54.2 Å²	54.2	31%	0.306	31%	0.31	S	S	.	.			trans	-117.8	163.6	179.9	48.6	-101.4	0	0	0	111.7	Q139 P220	Y137-Q139 PolarHBondContact O-NE2 3.27Å; Y137-P220 WeakPolarHBondContact CB-O 3.24Å; Y137-P220 HydrophobicContact CD1-CG 4.25Å
138	P	94.1	Very high	87.3	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.006	32%	0.319	C	S	.	.			trans	-60.8	139.8	174.9	-22.7	34.7	0	0	0	111.9	W155 Q156 V158 Y170 M210 A212	P138-W155 HydrophobicContact CB-CB 4.34Å; P138-W155 HydrophobicContact CB-CG 4.28Å; P138-Q156 CarbonylContact C-O 3.53Å; P138-Q156 WeakPolarHBondContact CA-O 3.46Å; P138-Q156 WeakPolarHBondContact CB-O 3.05Å; P138-V158 HydrophobicContact CG-CG2 4.2Å; P138-Y170 HydrophobicContact CB-CE1 4.37Å; P138-Y170 HydrophobicContact CG-CD1 3.55Å; P138-Y170 HydrophobicContact CG-CE1 3.69Å; P138-M210 HydrophobicContact CB-CE 3.32Å; P138-M210 HydrophobicContact CG-CE 3.54Å; P138-M210 HydrophobicContact CG-CG 4.23Å; P138-A212 HydrophobicContact CG-CB 4.18Å
139	Q	93.6	Very high	87.3	Confident	52 Å²	52	53.1 Å²	53.1	24%	0.243	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	160.8	-172	-61	-59.8	-47.7	0	0	111.8	Y137 I141 Q156 L159	Y137-Q139 PolarHBondContact O-NE2 3.27Å; Q139-I141 VanDerWaalsContact C-N 3.32Å; Q139-I141 PolarHBondContact O-N 2.81Å; Q139-Q156 HydrophobicContact CB-CB 4.16Å; Q139-Q156 PolarHBondContact N-O 3.27Å; Q139-Q156 PolarHBondContact O-N 3.38Å; Q139-L159 HydrophobicContact CG-CD2 4.42Å; Q139-L159 HydrophobicContact CG-CG 4.13Å
140	N	89.6	Confident	87.4	Confident	81 Å²	81	53.7 Å²	53.7	43%	0.433	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50	48.2	171.4	-162.9	19.5	0	0	0	113.7	K142 Q156	N140-K142 PolarHBondContact O-N 3.4Å; N140-K142 WeakPolarHBondContact OD1-CE 3.48Å; N140-Q156 HydrophobicContact CB-CB 4.48Å; N140-Q156 HydrophobicContact CB-CG 4.14Å
141	I	91.7	Very high	87.8	Confident	19 Å²	19	46.7 Å²	46.7	10%	0.097	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	123.2	177.4	-58.9	163.7	0	0	0	108.2	Q139 V153 S154 W155 I208 M210 S222 V225	Q139-I141 VanDerWaalsContact C-N 3.32Å; Q139-I141 PolarHBondContact O-N 2.81Å; I141-V153 HydrophobicContact CG2-CG1 4.05Å; I141-S154 CarbonylContact C-O 3.57Å; I141-S154 WeakPolarHBondContact CA-O 3.26Å; I141-W155 HydrophobicContact CG1-CB 4.03Å; I141-I208 HydrophobicContact CG2-CD1 4.12Å; I141-M210 HydrophobicContact CD1-CB 3.8Å; I141-M210 HydrophobicContact CD1-CE 4.12Å; I141-M210 HydrophobicContact CG1-CE 3.93Å; I141-S222 WeakPolarHBondContact CD1-OG 3.34Å; I141-V225 HydrophobicContact CB-CG2 4.38Å; I141-V225 HydrophobicContact CG2-CG2 4.49Å
142	K	89.6	Confident	88.2	Confident	83 Å²	83	48.7 Å²	48.7	36%	0.361	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	144.7	-179.5	-62.6	-176.7	-178.1	-175.2	0	110.4	N140 E144 V153 S154	N140-K142 PolarHBondContact O-N 3.4Å; N140-K142 WeakPolarHBondContact OD1-CE 3.48Å; K142-E144 HydrophobicContact CB-CG 4.31Å; K142-E144 VanDerWaalsContact CD-OE1 3.3Å; K142-E144 WeakPolarHBondContact CD-OE1 3.32Å; K142-E144 IonicContact NZ-OE1 3.53Å; K142-V153 CarbonylContact O-C 3.52Å; K142-V153 VanDerWaalsContact O-CA 3.25Å; K142-V153 WeakPolarHBondContact O-CA 3.46Å; K142-S154 PolarHBondContact N-O 2.78Å; K142-S154 PolarHBondContact O-N 2.77Å
143	A	88.6	Confident	88.6	Confident	29 Å²	29	44.7 Å²	44.7	24%	0.24	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	112.4	168.8	0	0	0	0	0	107.7	V151 Q152 I208 F227	A143-V151 HydrophobicContact CB-CG2 3.87Å; A143-Q152 WeakPolarHBondContact CA-O 3.28Å; A143-I208 HydrophobicContact CB-CD1 4.18Å; A143-F227 HydrophobicContact CB-CB 3.84Å; A143-F227 HydrophobicContact CB-CD1 3.59Å; A143-F227 HydrophobicContact CB-CE1 4.35Å; A143-F227 HydrophobicContact CB-CG 3.79Å
144	E	82.4	Confident	88.8	Confident	104 Å²	104	43.3 Å²	43.3	49%	0.486	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	155.2	-175.5	-66	179.9	177.6	0	0	109.7	K142 A146 V151 Q152	K142-E144 HydrophobicContact CB-CG 4.31Å; K142-E144 VanDerWaalsContact CD-OE1 3.3Å; K142-E144 WeakPolarHBondContact CD-OE1 3.32Å; K142-E144 IonicContact NZ-OE1 3.53Å; E144-A146 PolarHBondContact O-N 3.47Å; E144-V151 WeakPolarHBondContact O-CG2 3.48Å; E144-Q152 PolarHBondContact N-O 2.89Å; E144-Q152 WeakPolarHBondContact O-CB 3.38Å; E144-Q152 PolarHBondContact O-N 3.22Å; E144-Q152 VanDerWaalsContact O-O 3.12Å
145	G	72.8	Confident	88.9	Confident	69 Å²	69	43.7 Å²	43.7	71%	0.711	26%	0.257	S	S	*	.	S	Bend	trans	63.2	36.5	177	0	0	0	0	0	114.5	S147	G145-S147 PolarHBondContact O-N 3.08Å
146	A	79.3	Confident	89	Confident	21 Å²	21	45.4 Å²	45.4	17%	0.174	26%	0.256	C	S	.	.			trans	-62.2	122.9	176	0	0	0	0	0	110.5	E144 T150 V151 F227 Q230	E144-A146 PolarHBondContact O-N 3.47Å; A146-T150 CarbonylContact C-O 3.55Å; A146-T150 WeakPolarHBondContact CA-O 3.37Å; A146-V151 HydrophobicContact CB-CB 4.18Å; A146-V151 HydrophobicContact CB-CG2 3.79Å; A146-F227 HydrophobicContact CB-CD2 4.35Å; A146-Q230 VanDerWaalsContact O-CG 3.24Å; A146-Q230 WeakPolarHBondContact O-CG 3.42Å; A146-Q230 PolarHBondContact O-NE2 3.4Å; A146-Q230 VanDerWaalsContact O-NE2 3.14Å
147	S	80.3	Confident	89	Confident	32 Å²	32	48.3 Å²	48.3	22%	0.224	28%	0.275	C	S	.	.			trans	-97.9	-165.7	171.2	79.1	0	0	0	0	110.4	G145 S149 T150 T229 Q230	G145-S147 PolarHBondContact O-N 3.08Å; S147-S149 PolarHBondContact O-N 3.11Å; S147-S149 PolarHBondContact OG-N 3.23Å; S147-T150 PolarHBondContact N-O 2.9Å; S147-T150 PolarHBondContact OG-N 3.42Å; S147-T150 PolarHBondContact OG-O 3.35Å; S147-T150 PolarHBondContact OG-OG1 2.98Å; S147-T229 WeakPolarHBondContact O-CB 3.44Å; S147-Q230 PolarHBondContact O-N 2.88Å
148	T	83.2	Confident	88.8	Confident	53 Å²	53	44.6 Å²	44.6	33%	0.325	26%	0.26	S	S	.	.	S	Bend	trans	-67.6	-23.3	173.6	57.5	0	0	0	0	113.4	R201 A202 Q230 P231	T148-R201 CarbonylContact O-C 3.49Å; T148-A202 WeakPolarHBondContact O-CA 3.42Å; T148-A202 WeakPolarHBondContact O-CB 3.35Å; T148-A202 PolarHBondContact O-N 2.99Å; T148-Q230 WeakPolarHBondContact CA-O 3.08Å; T148-Q230 HydrophobicContact CG2-CB 4.41Å; T148-P231 WeakPolarHBondContact CG2-O 3.28Å
149	S	86.4	Confident	88.6	Confident	50 Å²	50	48.8 Å²	48.8	35%	0.35	28%	0.282	S	S	.	.	S	Bend	trans	-142.3	1.2	-175.4	63.8	0	0	0	0	114.9	S147 D198 G199 L200	S147-S149 PolarHBondContact O-N 3.11Å; S147-S149 PolarHBondContact OG-N 3.23Å; S149-D198 CarbonylContact O-C 3.5Å; S149-G199 PolarHBondContact O-N 3.44Å; S149-G199 VanDerWaalsContact O-N 3.14Å; S149-L200 VanDerWaalsContact CA-O 3.29Å; S149-L200 WeakPolarHBondContact CA-O 3.23Å; S149-L200 WeakPolarHBondContact CB-O 3.1Å; S149-L200 WeakPolarHBondContact O-CB 3.45Å; S149-L200 PolarHBondContact O-N 3.08Å
150	T	88.8	Confident	88.1	Confident	34 Å²	34	48.9 Å²	48.9	21%	0.209	28%	0.284	C	S	.	.			trans	-138.4	159.7	-177.8	69.8	0	0	0	0	111.9	A146 S147 L197 D198	A146-T150 CarbonylContact C-O 3.55Å; A146-T150 WeakPolarHBondContact CA-O 3.37Å; S147-T150 PolarHBondContact N-O 2.9Å; S147-T150 PolarHBondContact OG-N 3.42Å; S147-T150 PolarHBondContact OG-O 3.35Å; S147-T150 PolarHBondContact OG-OG1 2.98Å; T150-L197 CarbonylContact C-O 3.48Å; T150-L197 WeakPolarHBondContact CA-O 3.34Å; T150-L197 WeakPolarHBondContact CB-O 3.44Å; T150-D198 HydrophobicContact CG2-CB 3.93Å
151	V	92.1	Very high	87.7	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	145.9	166.4	69.8	0	0	0	0	109.9	A143 E144 A146 V153 L197 L200 F227	A143-V151 HydrophobicContact CB-CG2 3.87Å; E144-V151 WeakPolarHBondContact O-CG2 3.48Å; A146-V151 HydrophobicContact CB-CB 4.18Å; A146-V151 HydrophobicContact CB-CG2 3.79Å; V151-V153 HydrophobicContact CG1-CG2 4.04Å; V151-L197 HydrophobicContact CG1-CB 3.89Å; V151-L197 HydrophobicContact CG1-CD2 4.16Å; V151-L197 PolarHBondContact N-O 3.18Å; V151-L197 PolarHBondContact O-N 3.27Å; V151-L200 HydrophobicContact CB-CD1 4.36Å; V151-L200 HydrophobicContact CG1-CD1 3.91Å; V151-F227 HydrophobicContact CB-CD2 4.21Å; V151-F227 HydrophobicContact CB-CE2 3.75Å; V151-F227 HydrophobicContact CB-CZ 4.06Å; V151-F227 HydrophobicContact CG1-CD2 4.25Å; V151-F227 HydrophobicContact CG1-CE1 3.8Å; V151-F227 HydrophobicContact CG1-CE2 3.52Å; V151-F227 HydrophobicContact CG1-CZ 3.28Å; V151-F227 HydrophobicContact CG2-CD2 4.07Å; V151-F227 HydrophobicContact CG2-CE2 4.11Å; V151-F227 HydrophobicContact CG2-CG 4.45Å
152	Q	94.8	Very high	87.5	Confident	100 Å²	100	50 Å²	50	47%	0.467	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	117.6	172	-173.2	175.1	-21.5	0	0	109.6	A143 E144 L196	A143-Q152 WeakPolarHBondContact CA-O 3.28Å; E144-Q152 PolarHBondContact N-O 2.89Å; E144-Q152 WeakPolarHBondContact O-CB 3.38Å; E144-Q152 PolarHBondContact O-N 3.22Å; E144-Q152 VanDerWaalsContact O-O 3.12Å; Q152-L196 HydrophobicContact CB-CD1 4.47Å
153	V	94.6	Very high	87.4	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	128.2	175.1	-177.2	0	0	0	0	108.9	I141 K142 V151 W155 L172 T194 V195 I208	I141-V153 HydrophobicContact CG2-CG1 4.05Å; K142-V153 CarbonylContact O-C 3.52Å; K142-V153 VanDerWaalsContact O-CA 3.25Å; K142-V153 WeakPolarHBondContact O-CA 3.46Å; V151-V153 HydrophobicContact CG1-CG2 4.04Å; V153-W155 HydrophobicContact CG1-CE3 4.28Å; V153-W155 HydrophobicContact CG1-CZ3 4.44Å; V153-L172 HydrophobicContact CB-CD2 4.27Å; V153-L172 HydrophobicContact CG1-CD1 4.23Å; V153-L172 HydrophobicContact CG1-CD2 4.33Å; V153-L172 HydrophobicContact CG2-CD2 4.11Å; V153-T194 CarbonylContact O-C 3.54Å; V153-T194 WeakPolarHBondContact O-CA 3.37Å; V153-V195 HydrophobicContact CB-CG1 4.14Å; V153-V195 PolarHBondContact N-O 2.86Å; V153-V195 PolarHBondContact O-N 2.86Å; V153-I208 HydrophobicContact CG1-CD1 3.81Å; V153-I208 HydrophobicContact CG2-CD1 3.87Å
154	S	94.9	Very high	87.3	Confident	26 Å²	26	49 Å²	49	18%	0.182	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	151.9	176.8	65.3	0	0	0	0	111.6	I141 K142 S193	I141-S154 CarbonylContact C-O 3.57Å; I141-S154 WeakPolarHBondContact CA-O 3.26Å; K142-S154 PolarHBondContact N-O 2.78Å; K142-S154 PolarHBondContact O-N 2.77Å; S154-S193 CarbonylContact C-O 3.56Å; S154-S193 WeakPolarHBondContact CA-O 2.77Å
155	W	95.1	Very high	87.6	Confident	11 Å²	11	44.4 Å²	44.4	4%	0.042	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	164.5	-180	60.4	95.7	0	0	0	112.7	P138 I141 V153 Y170 I188 E192 S193 V195 M210	P138-W155 HydrophobicContact CB-CB 4.34Å; P138-W155 HydrophobicContact CB-CG 4.28Å; I141-W155 HydrophobicContact CG1-CB 4.03Å; V153-W155 HydrophobicContact CG1-CE3 4.28Å; V153-W155 HydrophobicContact CG1-CZ3 4.44Å; W155-Y170 AromaticContact CE2-CD2 4Å; W155-Y170 AromaticContact CZ2-CD2 3.78Å; W155-Y170 HydrophobicContact CZ2-CD2 3.78Å; W155-Y170 HydrophobicContact CZ2-CE2 4.28Å; W155-Y170 HydrophobicContact CZ2-CG 4.24Å; W155-Y170 AromaticContact NE1-CD2 3.66Å; W155-Y170 AromaticContact NE1-CE1 3.89Å; W155-Y170 AromaticContact NE1-CE2 3.49Å; W155-Y170 AromaticContact NE1-CG 3.93Å; W155-Y170 AromaticContact NE1-CZ 3.61Å; W155-I188 HydrophobicContact CH2-CB 4.27Å; W155-I188 HydrophobicContact CH2-CD1 4.3Å; W155-I188 HydrophobicContact CH2-CG1 4.09Å; W155-I188 HydrophobicContact CH2-CG2 3.94Å; W155-I188 HydrophobicContact CZ2-CB 4.37Å; W155-I188 HydrophobicContact CZ2-CG2 4Å; W155-E192 VanDerWaalsContact CZ2-O 3.29Å; W155-E192 WeakPolarHBondContact CZ2-O 3.36Å; W155-S193 PolarHBondContact N-O 2.73Å; W155-S193 WeakPolarHBondContact O-CB 2.98Å; W155-V195 HydrophobicContact CH2-CB 4.11Å; W155-V195 HydrophobicContact CH2-CG1 4.14Å; W155-V195 HydrophobicContact CZ3-CB 4.18Å; W155-V195 HydrophobicContact CZ3-CG1 3.86Å; W155-M210 HydrophobicContact CB-CE 3.41Å; W155-M210 VanDerWaalsContact CB-CE 3.41Å; W155-M210 VanDerWaalsContact CD1-CE 3.44Å; W155-M210 HydrophobicContact CD2-CE 3.21Å; W155-M210 HydrophobicContact CD2-SD 3.73Å; W155-M210 HydrophobicContact CE3-CE 3.75Å; W155-M210 HydrophobicContact CE3-SD 3.86Å; W155-M210 HydrophobicContact CG-CE 3.05Å; W155-M210 HydrophobicContact CG-SD 4.22Å; W155-M210 HydrophobicContact CH2-SD 4.35Å; W155-M210 HydrophobicContact CZ2-SD 4.2Å; W155-M210 HydrophobicContact CZ3-SD 4.18Å
156	Q	93.5	Very high	88.3	Confident	107 Å²	107	48.3 Å²	48.3	50%	0.5	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	147.1	166.9	-69	177	-15.2	0	0	110.3	P138 Q139 N140	P138-Q156 CarbonylContact C-O 3.53Å; P138-Q156 WeakPolarHBondContact CA-O 3.46Å; P138-Q156 WeakPolarHBondContact CB-O 3.05Å; Q139-Q156 HydrophobicContact CB-CB 4.16Å; Q139-Q156 PolarHBondContact N-O 3.27Å; Q139-Q156 PolarHBondContact O-N 3.38Å; N140-Q156 HydrophobicContact CB-CB 4.48Å; N140-Q156 HydrophobicContact CB-CG 4.14Å
157	P	88.8	Confident	88.9	Confident	64 Å²	64	48.1 Å²	48.1	42%	0.416	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-56.8	158.3	177	-25.2	34.5	0	0	0	113
158	V	91.5	Very high	89.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-55.3	143.2	173	-172.6	0	0	0	0	110	P138 L160 E162 R163 I167 A212	P138-V158 HydrophobicContact CG-CG2 4.2Å; V158-L160 PolarHBondContact O-N 3.39Å; V158-E162 HydrophobicContact CG1-CB 4.04Å; V158-R163 HydrophobicContact CB-CG 3.94Å; V158-R163 HydrophobicContact CG1-CG 4.22Å; V158-R163 PolarHBondContact O-NE 3.49Å; V158-R163 PolarHBondContact O-NH2 2.86Å; V158-R163 VanDerWaalsContact O-NH2 3.11Å; V158-I167 HydrophobicContact CG2-CD1 4.33Å; V158-A212 HydrophobicContact CG2-CB 3.37Å
159	L	88.4	Confident	89.9	Confident	90 Å²	90	50.6 Å²	50.6	47%	0.471	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-55.7	138.1	176.5	-68.3	176.3	0	0	0	110.7	Q139 A161 E162 R163	Q139-L159 HydrophobicContact CG-CD2 4.42Å; Q139-L159 HydrophobicContact CG-CG 4.13Å; L159-A161 PolarHBondContact O-N 3.4Å; L159-A161 VanDerWaalsContact O-N 3.17Å; L159-E162 HydrophobicContact CB-CB 4.43Å; L159-E162 HydrophobicContact CB-CG 4.2Å; L159-E162 PolarHBondContact O-N 3.32Å; L159-R163 WeakPolarHBondContact O-CG 3.35Å; L159-R163 PolarHBondContact O-N 2.85Å
160	L	83	Confident	90.4	Very high	53 Å²	53	48.7 Å²	48.7	28%	0.277	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-57.7	-36.5	-171.4	-171.9	67.3	0	0	0	112.9	V81 V158 E162	V81-L160 HydrophobicContact CG2-CD2 4.22Å; V158-L160 PolarHBondContact O-N 3.39Å; L160-E162 PolarHBondContact O-N 2.96Å
161	A	81.8	Confident	90.7	Very high	60 Å²	60	47 Å²	47	50%	0.496	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-68.5	-18.7	177.4	0	0	0	0	0	113.5	L159	L159-A161 PolarHBondContact O-N 3.4Å; L159-A161 VanDerWaalsContact O-N 3.17Å
162	E	88	Confident	90.8	Very high	65 Å²	65	47 Å²	47	30%	0.304	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-111.2	-2.8	-173.3	-57	179.3	152.2	0	0	113.2	P134 S135 G136 V158 L159 L160	P134-E162 CarbonylContact C-O 3.51Å; P134-E162 WeakPolarHBondContact CA-O 3.49Å; S135-E162 PolarHBondContact N-O 2.73Å; S135-E162 WeakPolarHBondContact OG-CA 3.1Å; S135-E162 PolarHBondContact OG-O 3.41Å; G136-E162 PolarHBondContact N-O 3.14Å; V158-E162 HydrophobicContact CG1-CB 4.04Å; L159-E162 HydrophobicContact CB-CB 4.43Å; L159-E162 HydrophobicContact CB-CG 4.2Å; L159-E162 PolarHBondContact O-N 3.32Å; L160-E162 PolarHBondContact O-N 2.96Å
163	R	87.4	Confident	90.8	Very high	71 Å²	71	44.9 Å²	44.9	27%	0.268	23%	0.234	S	C	.	.			trans	-68.8	-37.9	179.5	-74.6	178.3	-165.3	-178.6	2.5	112.8	V158 L159 G165 I167 T214	V158-R163 HydrophobicContact CB-CG 3.94Å; V158-R163 HydrophobicContact CG1-CG 4.22Å; V158-R163 PolarHBondContact O-NE 3.49Å; V158-R163 PolarHBondContact O-NH2 2.86Å; V158-R163 VanDerWaalsContact O-NH2 3.11Å; L159-R163 WeakPolarHBondContact O-CG 3.35Å; L159-R163 PolarHBondContact O-N 2.85Å; R163-G165 PolarHBondContact O-N 2.86Å; R163-I167 HydrophobicContact CB-CD1 4.33Å; R163-I167 HydrophobicContact CG-CD1 4.21Å; R163-I167 HydrophobicContact CG-CG1 4.12Å; R163-T214 WeakPolarHBondContact O-CG2 3.36Å
164	N	87.1	Confident	90.8	Very high	19 Å²	19	47.2 Å²	47.2	10%	0.102	24%	0.244	C	C	.	.			trans	48.3	22.8	-173.2	-57.4	-38.2	0	0	0	115.5	K103 E131 E132 V133 S135	K103-N164 HydrophobicContact CB-CB 4.18Å; K103-N164 CarbonylContact O-C 3.59Å; K103-N164 WeakPolarHBondContact O-CA 3.28Å; E131-N164 WeakPolarHBondContact CA-O 3.21Å; E132-N164 HydrophobicContact CB-CB 3.98Å; E132-N164 PolarHBondContact N-O 2.66Å; V133-N164 WeakPolarHBondContact O-CB 3.29Å; V133-N164 PolarHBondContact O-ND2 3.38Å; V133-N164 VanDerWaalsContact O-ND2 3.12Å; S135-N164 PolarHBondContact N-ND2 3.28Å; S135-N164 PolarHBondContact OG-ND2 3.32Å
165	G	87.2	Confident	90.6	Very high	7 Å²	7	50.1 Å²	50.1	7%	0.072	25%	0.253	C	S	.	.	S	Bend	trans	165	-175.3	-169.4	0	0	0	0	0	113.5	E131 R163	E131-G165 WeakPolarHBondContact OE1-CA 3.42Å; R163-G165 PolarHBondContact O-N 2.86Å
166	Q	87.8	Confident	90.4	Very high	151 Å²	151	50.5 Å²	50.5	71%	0.706	26%	0.255	S	S	*	.			trans	-87.3	123.8	171.3	-173.8	174.7	7.9	0	0	108.7	E131 V168 T214	E131-Q166 PolarHBondContact OE1-N 3.33Å; Q166-V168 PolarHBondContact O-N 3.18Å; Q166-T214 WeakPolarHBondContact O-CA 3.4Å
167	I	91.6	Very high	90	Very high	18 Å²	18	48.7 Å²	48.7	9%	0.092	25%	0.249	C	C	.	.			trans	-70.9	119.1	175.2	-55.5	-53.7	0	0	0	108.6	P134 V158 R163 Y170 A190 A212 F213 T214	P134-I167 HydrophobicContact CB-CD1 4.45Å; P134-I167 HydrophobicContact CG-CD1 3.74Å; V158-I167 HydrophobicContact CG2-CD1 4.33Å; R163-I167 HydrophobicContact CB-CD1 4.33Å; R163-I167 HydrophobicContact CG-CD1 4.21Å; R163-I167 HydrophobicContact CG-CG1 4.12Å; I167-Y170 HydrophobicContact CG2-CD1 4.32Å; I167-Y170 HydrophobicContact CG2-CE1 3.7Å; I167-Y170 HydrophobicContact CG2-CE2 4.24Å; I167-A190 HydrophobicContact CG2-CB 4.41Å; I167-A190 WeakPolarHBondContact O-CB 3.33Å; I167-A212 HydrophobicContact CD1-CB 4.03Å; I167-A212 HydrophobicContact CG2-CB 4.06Å; I167-F213 CarbonylContact C-O 3.54Å; I167-F213 VanDerWaalsContact CA-O 3.3Å; I167-F213 WeakPolarHBondContact CA-O 3.4Å; I167-T214 HydrophobicContact CD1-CG2 4.11Å
168	V	92.4	Very high	89.7	Confident	63 Å²	63	51.8 Å²	51.8	38%	0.382	26%	0.262	S	S	.	.			trans	-99.5	-32.2	-177.5	-65.8	0	0	0	0	112.3	Q166 A190 F213	Q166-V168 PolarHBondContact O-N 3.18Å; V168-A190 PolarHBondContact O-N 3.09Å; V168-F213 HydrophobicContact CG2-CB 4.2Å; V168-F213 WeakPolarHBondContact CG2-O 3.35Å; V168-F213 PolarHBondContact N-O 3.14Å
169	K	93.6	Very high	89.2	Confident	74 Å²	74	53.1 Å²	53.1	32%	0.322	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	165.6	177.6	65.9	179.8	-179.3	173	0	112.1	F187 I188 F213	K169-F187 HydrophobicContact CD-CD1 4.09Å; K169-I188 CarbonylContact C-O 3.57Å; K169-I188 WeakPolarHBondContact CA-O 3.25Å; K169-I188 WeakPolarHBondContact CB-O 3.26Å; K169-F213 HydrophobicContact CD-CG 4.37Å; K169-F213 HydrophobicContact CG-CB 3.61Å; K169-F213 HydrophobicContact CG-CD1 4.48Å; K169-F213 HydrophobicContact CG-CD2 3.89Å; K169-F213 HydrophobicContact CG-CG 3.76Å; K169-F213 PolarHBondContact O-N 3.47Å
170	Y	96.1	Very high	88.6	Confident	9 Å²	9	55.3 Å²	55.3	4%	0.035	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	153.5	170.1	-56.6	-79.6	0	0	0	109.7	P138 W155 I167 F187 I188 A190 E192 C211 A212	P138-Y170 HydrophobicContact CB-CE1 4.37Å; P138-Y170 HydrophobicContact CG-CD1 3.55Å; P138-Y170 HydrophobicContact CG-CE1 3.69Å; W155-Y170 AromaticContact CE2-CD2 4Å; W155-Y170 AromaticContact CZ2-CD2 3.78Å; W155-Y170 HydrophobicContact CZ2-CD2 3.78Å; W155-Y170 HydrophobicContact CZ2-CE2 4.28Å; W155-Y170 HydrophobicContact CZ2-CG 4.24Å; W155-Y170 AromaticContact NE1-CD2 3.66Å; W155-Y170 AromaticContact NE1-CE1 3.89Å; W155-Y170 AromaticContact NE1-CE2 3.49Å; W155-Y170 AromaticContact NE1-CG 3.93Å; W155-Y170 AromaticContact NE1-CZ 3.61Å; I167-Y170 HydrophobicContact CG2-CD1 4.32Å; I167-Y170 HydrophobicContact CG2-CE1 3.7Å; I167-Y170 HydrophobicContact CG2-CE2 4.24Å; Y170-F187 CarbonylContact O-C 3.56Å; Y170-F187 WeakPolarHBondContact O-CA 3.24Å; Y170-I188 PolarHBondContact N-O 3.45Å; Y170-I188 PolarHBondContact O-N 3.3Å; Y170-A190 HydrophobicContact CE2-CB 4.27Å; Y170-E192 WeakPolarHBondContact CE2-O 3.4Å; Y170-C211 CarbonylContact C-O 3.59Å; Y170-C211 VanDerWaalsContact CA-O 3.29Å; Y170-C211 WeakPolarHBondContact CA-O 3.46Å; Y170-A212 HydrophobicContact CD1-CB 3.69Å; Y170-A212 HydrophobicContact CE1-CB 3.74Å
171	A	95.3	Very high	88.4	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	116.9	167	0	0	0	0	0	109.9	E185 L186 F187 M210 C211 F213	A171-E185 HydrophobicContact CB-CG 4.02Å; A171-E185 WeakPolarHBondContact CB-OE1 3.44Å; A171-L186 CarbonylContact C-O 3.48Å; A171-L186 WeakPolarHBondContact CA-O 3.26Å; A171-F187 HydrophobicContact CB-CD1 3.79Å; A171-F187 HydrophobicContact CB-CE1 3.64Å; A171-F187 HydrophobicContact CB-CZ 4.44Å; A171-M210 VanDerWaalsContact O-CA 3.27Å; A171-M210 WeakPolarHBondContact O-CA 3.07Å; A171-M210 WeakPolarHBondContact O-CG 3.2Å; A171-C211 PolarHBondContact N-O 3.11Å; A171-C211 PolarHBondContact O-N 3.3Å; A171-F213 HydrophobicContact CB-CE2 3.54Å; A171-F213 HydrophobicContact CB-CZ 4.14Å
172	L	95.1	Very high	88.4	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	114.2	174.7	176.9	67.6	0	0	0	108.8	V153 E185 L186 I188 V195 I208 M210	V153-L172 HydrophobicContact CB-CD2 4.27Å; V153-L172 HydrophobicContact CG1-CD1 4.23Å; V153-L172 HydrophobicContact CG1-CD2 4.33Å; V153-L172 HydrophobicContact CG2-CD2 4.11Å; L172-E185 CarbonylContact O-C 3.48Å; L172-E185 WeakPolarHBondContact O-CA 3.35Å; L172-L186 HydrophobicContact CB-CB 4.43Å; L172-L186 PolarHBondContact N-O 2.99Å; L172-L186 PolarHBondContact O-N 3.23Å; L172-I188 HydrophobicContact CB-CD1 3.75Å; L172-V195 HydrophobicContact CD2-CG1 3.81Å; L172-I208 HydrophobicContact CD1-CB 4.11Å; L172-I208 HydrophobicContact CD1-CD1 4.4Å; L172-M210 HydrophobicContact CD1-CB 4.22Å
173	Q	94.7	Very high	88.3	Confident	54 Å²	54	63.2 Å²	63.2	25%	0.252	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	132.3	172.7	-175.1	175.6	87.3	0	0	109.6	P183 S184 I208 K209 Y221	Q173-P183 HydrophobicContact CG-CB 3.36Å; Q173-P183 HydrophobicContact CG-CG 4.28Å; Q173-S184 CarbonylContact C-O 3.6Å; Q173-S184 VanDerWaalsContact CA-O 3.27Å; Q173-S184 WeakPolarHBondContact CA-O 3.39Å; Q173-I208 CarbonylContact O-C 3.52Å; Q173-I208 VanDerWaalsContact O-CA 3.22Å; Q173-I208 WeakPolarHBondContact O-CA 3.48Å; Q173-K209 PolarHBondContact N-O 3.08Å; Q173-K209 PolarHBondContact O-N 3.29Å; Q173-Y221 HydrophobicContact CB-CE1 3.99Å
174	Y	93.6	Very high	88.4	Confident	50 Å²	50	62.6 Å²	62.6	20%	0.196	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	143.6	179	67.8	-77	0	0	0	112.1	S184 L197 L200 Y206 D207	Y174-S184 PolarHBondContact N-O 3.18Å; Y174-S184 PolarHBondContact O-N 2.83Å; Y174-L197 HydrophobicContact CD1-CD1 3.74Å; Y174-L197 HydrophobicContact CD1-CD2 4.27Å; Y174-L197 HydrophobicContact CD2-CD1 4.16Å; Y174-L197 HydrophobicContact CD2-CD2 3.8Å; Y174-L197 HydrophobicContact CD2-CG 4.38Å; Y174-L197 HydrophobicContact CE1-CD1 3.58Å; Y174-L197 HydrophobicContact CE2-CD1 3.98Å; Y174-L197 HydrophobicContact CE2-CD2 4.31Å; Y174-L197 HydrophobicContact CE2-CG 4.41Å; Y174-L197 HydrophobicContact CG-CD1 4.04Å; Y174-L197 HydrophobicContact CG-CD2 3.76Å; Y174-L197 HydrophobicContact CG-CG 4.49Å; Y174-L200 HydrophobicContact CD2-CD2 4.05Å; Y174-L200 HydrophobicContact CE2-CD2 3.98Å; Y174-Y206 HydrophobicContact CD2-CD1 4.38Å; Y174-D207 CarbonylContact C-O 3.53Å; Y174-D207 VanDerWaalsContact CA-O 3.3Å; Y174-D207 WeakPolarHBondContact CA-O 3.43Å
175	K	91.5	Very high	88.6	Confident	87 Å²	87	65.6 Å²	65.6	38%	0.378	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	146.9	177.5	68.7	179.3	-174.1	173.3	0	112.4	P183 Y206 D207	K175-P183 HydrophobicContact CB-CB 4.15Å; K175-P183 HydrophobicContact CB-CG 4.48Å; K175-P183 HydrophobicContact CD-CG 4.14Å; K175-Y206 CarbonylContact O-C 3.48Å; K175-Y206 VanDerWaalsContact O-CA 3.23Å; K175-Y206 WeakPolarHBondContact O-CA 3.48Å; K175-D207 WeakPolarHBondContact CE-OD2 3.47Å; K175-D207 HydrophobicContact CG-CB 4.01Å; K175-D207 PolarHBondContact N-O 3.34Å; K175-D207 PolarHBondContact O-N 2.99Å
176	D	90.5	Very high	88.9	Confident	18 Å²	18	68 Å²	68	10%	0.096	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	124.2	165.1	171.8	-6.6	0	0	0	108.6	N178 S179 R201 T204 Y206	D176-N178 PolarHBondContact O-N 2.87Å; D176-N178 PolarHBondContact OD1-N 2.73Å; D176-S179 PolarHBondContact O-N 2.96Å; D176-S179 VanDerWaalsContact O-N 3.13Å; D176-R201 IonicContact OD2-CZ 2.8Å; D176-R201 IonicContact OD2-NE 2.79Å; D176-R201 IonicContact OD2-NH2 3.36Å; D176-R201 PolarHBondContact OD2-NH2 2.88Å; D176-T204 HydrophobicContact CB-CG2 4.1Å; D176-T204 WeakPolarHBondContact OD2-CG2 3.38Å; D176-Y206 HydrophobicContact CB-CD1 4.26Å; D176-Y206 HydrophobicContact CB-CE1 3.9Å
177	I	85.4	Confident	89.2	Confident	70 Å²	70	65.8 Å²	65.8	36%	0.359	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.7	-175.3	65.7	170.8	0	0	0	113.1	T205 D207	I177-T205 HydrophobicContact CD1-CG2 3.6Å; I177-T205 HydrophobicContact CG1-CG2 4.18Å; I177-T205 HydrophobicContact CG2-CG2 4.4Å; I177-T205 PolarHBondContact N-O 3.47Å; I177-T205 VanDerWaalsContact N-O 3.08Å; I177-D207 HydrophobicContact CG2-CB 3.81Å
178	N	81.6	Confident	89.3	Confident	128 Å²	128	65.1 Å²	65.1	68%	0.684	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-7	-178.6	-61.8	-46.5	0	0	0	112	D176	D176-N178 PolarHBondContact O-N 2.87Å; D176-N178 PolarHBondContact OD1-N 2.73Å
179	S	81.4	Confident	89.3	Confident	29 Å²	29	66.8 Å²	66.8	20%	0.203	35%	0.35	C	S	.	.			trans	-91.5	133	-178.8	-163.1	0	0	0	0	111.3	D176 R181	D176-S179 PolarHBondContact O-N 2.96Å; D176-S179 VanDerWaalsContact O-N 3.13Å; S179-R181 PolarHBondContact O-N 3.5Å
180	P	74.8	Confident	89	Confident	136 Å²	136	64.5 Å²	64.5	88%	0.883	35%	0.345	S	S	*	.			trans	-76.7	5.1	174	31.9	-35.3	0	0	0	113.3
181	R	79.6	Confident	88.4	Confident	189 Å²	189	69.9 Å²	69.9	71%	0.713	38%	0.381	S	S	*	.	S	Bend	trans	-74.8	152.4	-179.1	-68	-177	-179.4	-177.6	-0.2	111.3	S179	S179-R181 PolarHBondContact O-N 3.5Å
182	S	81	Confident	88.1	Confident	103 Å²	103	75 Å²	75	72%	0.72	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-60.1	147	170.9	54.3	0	0	0	0	111
183	P	85.9	Confident	87.8	Confident	51 Å²	51	77.5 Å²	77.5	33%	0.331	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-60	142.1	177.7	-18.7	30.4	0	0	0	112	Q173 K175	Q173-P183 HydrophobicContact CG-CB 3.36Å; Q173-P183 HydrophobicContact CG-CG 4.28Å; K175-P183 HydrophobicContact CB-CB 4.15Å; K175-P183 HydrophobicContact CB-CG 4.48Å; K175-P183 HydrophobicContact CD-CG 4.14Å
184	S	89.9	Confident	87.6	Confident	58 Å²	58	78 Å²	78	41%	0.406	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	151.3	171	-65.4	0	0	0	0	110.1	Q173 Y174	Q173-S184 CarbonylContact C-O 3.6Å; Q173-S184 VanDerWaalsContact CA-O 3.27Å; Q173-S184 WeakPolarHBondContact CA-O 3.39Å; Y174-S184 PolarHBondContact N-O 3.18Å; Y174-S184 PolarHBondContact O-N 2.83Å
185	E	91.9	Very high	87.6	Confident	83 Å²	83	76.9 Å²	76.9	39%	0.388	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.4	-179.6	-173	164.6	-116	0	0	111.6	A171 L172 F187 Y221	A171-E185 HydrophobicContact CB-CG 4.02Å; A171-E185 WeakPolarHBondContact CB-OE1 3.44Å; L172-E185 CarbonylContact O-C 3.48Å; L172-E185 WeakPolarHBondContact O-CA 3.35Å; E185-F187 HydrophobicContact CG-CE2 4.26Å; E185-F187 HydrophobicContact CG-CZ 4.18Å; E185-F187 WeakPolarHBondContact OE2-CZ 3.36Å; E185-Y221 PolarHBondContact OE1-OH 2.89Å
186	L	92.8	Very high	87.7	Confident	58 Å²	58	77.6 Å²	77.6	30%	0.304	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128	178.7	179.3	65.3	0	0	0	109.6	A171 L172 I188 V195 L197	A171-L186 CarbonylContact C-O 3.48Å; A171-L186 WeakPolarHBondContact CA-O 3.26Å; L172-L186 HydrophobicContact CB-CB 4.43Å; L172-L186 PolarHBondContact N-O 2.99Å; L172-L186 PolarHBondContact O-N 3.23Å; L186-I188 HydrophobicContact CG-CD1 4.32Å; L186-I188 WeakPolarHBondContact O-CD1 3.41Å; L186-V195 HydrophobicContact CD2-CG1 4.34Å; L186-V195 HydrophobicContact CD2-CG2 3.79Å; L186-L197 HydrophobicContact CD2-CD1 4.23Å
187	F	93.8	Very high	87.7	Confident	103 Å²	103	76.8 Å²	76.8	45%	0.452	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.5	176.6	-67.4	-80	0	0	0	111.2	K169 Y170 A171 E185 F213	K169-F187 HydrophobicContact CD-CD1 4.09Å; Y170-F187 CarbonylContact O-C 3.56Å; Y170-F187 WeakPolarHBondContact O-CA 3.24Å; A171-F187 HydrophobicContact CB-CD1 3.79Å; A171-F187 HydrophobicContact CB-CE1 3.64Å; A171-F187 HydrophobicContact CB-CZ 4.44Å; E185-F187 HydrophobicContact CG-CE2 4.26Å; E185-F187 HydrophobicContact CG-CZ 4.18Å; E185-F187 WeakPolarHBondContact OE2-CZ 3.36Å; F187-F213 HydrophobicContact CE1-CE2 4.18Å; F187-F213 AromaticContact CE1-CZ 3.89Å; F187-F213 HydrophobicContact CE1-CZ 3.89Å
188	I	94.4	Very high	87.7	Confident	4 Å²	4	78.5 Å²	78.5	2%	0.021	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.2	-179.8	-55.6	95.9	0	0	0	109.1	W155 K169 Y170 L172 L186 E192 V195	W155-I188 HydrophobicContact CH2-CB 4.27Å; W155-I188 HydrophobicContact CH2-CD1 4.3Å; W155-I188 HydrophobicContact CH2-CG1 4.09Å; W155-I188 HydrophobicContact CH2-CG2 3.94Å; W155-I188 HydrophobicContact CZ2-CB 4.37Å; W155-I188 HydrophobicContact CZ2-CG2 4Å; K169-I188 CarbonylContact C-O 3.57Å; K169-I188 WeakPolarHBondContact CA-O 3.25Å; K169-I188 WeakPolarHBondContact CB-O 3.26Å; Y170-I188 PolarHBondContact N-O 3.45Å; Y170-I188 PolarHBondContact O-N 3.3Å; L172-I188 HydrophobicContact CB-CD1 3.75Å; L186-I188 HydrophobicContact CG-CD1 4.32Å; L186-I188 WeakPolarHBondContact O-CD1 3.41Å; I188-E192 HydrophobicContact CG2-CB 3.82Å; I188-E192 VanDerWaalsContact CG2-OE2 3.27Å; I188-E192 WeakPolarHBondContact CG2-OE2 3.38Å; I188-V195 HydrophobicContact CD1-CG1 4.34Å; I188-V195 HydrophobicContact CG1-CB 4.05Å; I188-V195 HydrophobicContact CG1-CG1 4.25Å; I188-V195 HydrophobicContact CG1-CG2 4Å
189	T	92.1	Very high	87.9	Confident	98 Å²	98	75.9 Å²	75.9	60%	0.601	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	132.7	-179.2	-53.7	0	0	0	0	110.2	E192	T189-E192 WeakPolarHBondContact O-CB 3.45Å; T189-E192 PolarHBondContact O-N 3.35Å
190	A	86.9	Confident	88.3	Confident	26 Å²	26	75 Å²	75	22%	0.215	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	144.8	174.7	0	0	0	0	0	110.3	I167 V168 Y170	I167-A190 HydrophobicContact CG2-CB 4.41Å; I167-A190 WeakPolarHBondContact O-CB 3.33Å; V168-A190 PolarHBondContact O-N 3.09Å; Y170-A190 HydrophobicContact CE2-CB 4.27Å
191	P	84.2	Confident	88.8	Confident	123 Å²	123	74.2 Å²	74.2	80%	0.799	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	cis	-98.9	14.7	19.8	39.4	-37.1	0	0	0	115	S193	P191-S193 PolarHBondContact O-N 3.33Å
192	E	87.8	Confident	88.9	Confident	106 Å²	106	66.7 Å²	66.7	50%	0.495	39%	0.394	S	S	.	.			trans	-54.7	138.7	-178.7	-66.2	176.6	174.4	0	0	111.5	W155 Y170 I188 T189	W155-E192 VanDerWaalsContact CZ2-O 3.29Å; W155-E192 WeakPolarHBondContact CZ2-O 3.36Å; Y170-E192 WeakPolarHBondContact CE2-O 3.4Å; I188-E192 HydrophobicContact CG2-CB 3.82Å; I188-E192 VanDerWaalsContact CG2-OE2 3.27Å; I188-E192 WeakPolarHBondContact CG2-OE2 3.38Å; T189-E192 WeakPolarHBondContact O-CB 3.45Å; T189-E192 PolarHBondContact O-N 3.35Å
193	S	89.5	Confident	89	Confident	54 Å²	54	65.3 Å²	65.3	38%	0.378	38%	0.379	S	S	.	.			trans	-122.2	9.2	-179.7	66.5	0	0	0	0	112.4	S154 W155 P191	S154-S193 CarbonylContact C-O 3.56Å; S154-S193 WeakPolarHBondContact CA-O 2.77Å; W155-S193 PolarHBondContact N-O 2.73Å; W155-S193 WeakPolarHBondContact O-CB 2.98Å; P191-S193 PolarHBondContact O-N 3.33Å
194	T	91.5	Very high	88.9	Confident	65 Å²	65	63.8 Å²	63.8	40%	0.399	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	140.9	-179.1	60.2	0	0	0	0	110	V153	V153-T194 CarbonylContact O-C 3.54Å; V153-T194 WeakPolarHBondContact O-CA 3.37Å
195	V	93.6	Very high	88.9	Confident	25 Å²	25	62.4 Å²	62.4	15%	0.152	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	143.7	172.6	73.2	0	0	0	0	110.6	V153 W155 L172 L186 I188	V153-V195 HydrophobicContact CB-CG1 4.14Å; V153-V195 PolarHBondContact N-O 2.86Å; V153-V195 PolarHBondContact O-N 2.86Å; W155-V195 HydrophobicContact CH2-CB 4.11Å; W155-V195 HydrophobicContact CH2-CG1 4.14Å; W155-V195 HydrophobicContact CZ3-CB 4.18Å; W155-V195 HydrophobicContact CZ3-CG1 3.86Å; L172-V195 HydrophobicContact CD2-CG1 3.81Å; L186-V195 HydrophobicContact CD2-CG1 4.34Å; L186-V195 HydrophobicContact CD2-CG2 3.79Å; I188-V195 HydrophobicContact CD1-CG1 4.34Å; I188-V195 HydrophobicContact CG1-CB 4.05Å; I188-V195 HydrophobicContact CG1-CG1 4.25Å; I188-V195 HydrophobicContact CG1-CG2 4Å
196	L	91.9	Very high	88.9	Confident	102 Å²	102	59.1 Å²	59.1	53%	0.534	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	116.4	169.6	-173.9	70.8	0	0	0	108.4	Q152	Q152-L196 HydrophobicContact CB-CD1 4.47Å
197	L	91.1	Very high	88.9	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.01	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	120.7	173.1	-174.2	67.3	0	0	0	108.3	T150 V151 Y174 L186 L200 F227	T150-L197 CarbonylContact C-O 3.48Å; T150-L197 WeakPolarHBondContact CA-O 3.34Å; T150-L197 WeakPolarHBondContact CB-O 3.44Å; V151-L197 HydrophobicContact CG1-CB 3.89Å; V151-L197 HydrophobicContact CG1-CD2 4.16Å; V151-L197 PolarHBondContact N-O 3.18Å; V151-L197 PolarHBondContact O-N 3.27Å; Y174-L197 HydrophobicContact CD1-CD1 3.74Å; Y174-L197 HydrophobicContact CD1-CD2 4.27Å; Y174-L197 HydrophobicContact CD2-CD1 4.16Å; Y174-L197 HydrophobicContact CD2-CD2 3.8Å; Y174-L197 HydrophobicContact CD2-CG 4.38Å; Y174-L197 HydrophobicContact CE1-CD1 3.58Å; Y174-L197 HydrophobicContact CE2-CD1 3.98Å; Y174-L197 HydrophobicContact CE2-CD2 4.31Å; Y174-L197 HydrophobicContact CE2-CG 4.41Å; Y174-L197 HydrophobicContact CG-CD1 4.04Å; Y174-L197 HydrophobicContact CG-CD2 3.76Å; Y174-L197 HydrophobicContact CG-CG 4.49Å; L186-L197 HydrophobicContact CD2-CD1 4.23Å; L197-L200 HydrophobicContact CD2-CD1 4.17Å; L197-L200 HydrophobicContact CD2-CD2 3.97Å; L197-L200 HydrophobicContact CG-CD1 4.33Å; L197-L200 HydrophobicContact CG-CD2 4.1Å; L197-L200 HydrophobicContact CG-CG 4.44Å; L197-F227 HydrophobicContact CD2-CZ 4.32Å
198	D	86.7	Confident	89	Confident	106 Å²	106	52 Å²	52	57%	0.567	31%	0.309	S	S	*	.			trans	-118.2	176.4	-176.2	64.8	2.4	0	0	0	112.7	S149 T150 L200	S149-D198 CarbonylContact O-C 3.5Å; T150-D198 HydrophobicContact CG2-CB 3.93Å; D198-L200 VanDerWaalsContact C-N 3.28Å; D198-L200 PolarHBondContact O-N 2.99Å
199	G	85.5	Confident	89	Confident	72 Å²	72	54.9 Å²	54.9	74%	0.742	32%	0.321	S	S	*	.	S	Bend	trans	69.9	21.4	-179.8	0	0	0	0	0	114.6	S149	S149-G199 PolarHBondContact O-N 3.44Å; S149-G199 VanDerWaalsContact O-N 3.14Å
200	L	89.4	Confident	89.1	Confident	10 Å²	10	50.2 Å²	50.2	5%	0.052	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-78.7	154.8	176.9	-53.9	178.7	0	0	0	111.1	S149 V151 Y174 L197 D198 Y206 F227 T229	S149-L200 VanDerWaalsContact CA-O 3.29Å; S149-L200 WeakPolarHBondContact CA-O 3.23Å; S149-L200 WeakPolarHBondContact CB-O 3.1Å; S149-L200 WeakPolarHBondContact O-CB 3.45Å; S149-L200 PolarHBondContact O-N 3.08Å; V151-L200 HydrophobicContact CB-CD1 4.36Å; V151-L200 HydrophobicContact CG1-CD1 3.91Å; Y174-L200 HydrophobicContact CD2-CD2 4.05Å; Y174-L200 HydrophobicContact CE2-CD2 3.98Å; L197-L200 HydrophobicContact CD2-CD1 4.17Å; L197-L200 HydrophobicContact CD2-CD2 3.97Å; L197-L200 HydrophobicContact CG-CD1 4.33Å; L197-L200 HydrophobicContact CG-CD2 4.1Å; L197-L200 HydrophobicContact CG-CG 4.44Å; D198-L200 VanDerWaalsContact C-N 3.28Å; D198-L200 PolarHBondContact O-N 2.99Å; L200-Y206 HydrophobicContact CB-CE2 3.83Å; L200-Y206 HydrophobicContact CD2-CD1 4Å; L200-Y206 HydrophobicContact CD2-CD2 4.36Å; L200-Y206 HydrophobicContact CD2-CE1 3.68Å; L200-Y206 HydrophobicContact CD2-CE2 4.07Å; L200-Y206 HydrophobicContact CD2-CG 4.34Å; L200-Y206 HydrophobicContact CG-CE2 4.38Å; L200-F227 HydrophobicContact CD1-CE2 3.73Å; L200-F227 HydrophobicContact CD1-CZ 3.66Å; L200-T229 HydrophobicContact CB-CG2 3.75Å; L200-T229 HydrophobicContact CD1-CG2 3.84Å; L200-T229 HydrophobicContact CG-CG2 4.47Å
201	R	85.9	Confident	89.5	Confident	121 Å²	121	49 Å²	49	46%	0.457	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-82.8	140.7	172.8	-72	-169.5	-82.1	-123.5	2.5	109.8	T148 D176 T204 Y206 T229	T148-R201 CarbonylContact O-C 3.49Å; D176-R201 IonicContact OD2-CZ 2.8Å; D176-R201 IonicContact OD2-NE 2.79Å; D176-R201 IonicContact OD2-NH2 3.36Å; D176-R201 PolarHBondContact OD2-NH2 2.88Å; R201-T204 HydrophobicContact CB-CG2 4.43Å; R201-T204 VanDerWaalsContact CB-OG1 3.3Å; R201-T204 WeakPolarHBondContact CB-OG1 3.21Å; R201-T204 WeakPolarHBondContact O-CB 3.24Å; R201-T204 PolarHBondContact O-OG1 3.34Å; R201-Y206 PolarHBondContact N-OH 3.1Å; R201-T229 WeakPolarHBondContact O-CB 3.47Å; R201-T229 PolarHBondContact O-OG1 3.07Å
202	A	80.6	Confident	90.1	Very high	31 Å²	31	43.1 Å²	43.1	26%	0.256	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	155.2	174.2	0	0	0	0	0	111.5	T148 T204 V232	T148-A202 WeakPolarHBondContact O-CA 3.42Å; T148-A202 WeakPolarHBondContact O-CB 3.35Å; T148-A202 PolarHBondContact O-N 2.99Å; A202-T204 PolarHBondContact O-N 3.09Å; A202-T204 PolarHBondContact O-OG1 2.95Å; A202-V232 HydrophobicContact CB-CG2 3.41Å; A202-V232 VanDerWaalsContact CB-CG2 3.41Å
203	D	82.6	Confident	90.3	Very high	74 Å²	74	39.5 Å²	39.5	40%	0.396	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	30.3	-177.9	-159.8	28.1	0	0	0	115.4	R228 T229 Q230 P231	D203-R228 IonicContact OD1-CZ 2.76Å; D203-R228 IonicContact OD1-NE 3.64Å; D203-R228 PolarHBondContact OD1-NE 3.29Å; D203-R228 IonicContact OD1-NH2 3.66Å; D203-R228 PolarHBondContact OD1-NH2 3.09Å; D203-R228 IonicContact OD2-NH2 3.28Å; D203-R228 PolarHBondContact OD2-NH2 3.42Å; D203-R228 VanDerWaalsContact OD2-NH2 3.08Å; D203-T229 PolarHBondContact N-OG1 3.39Å; D203-Q230 PolarHBondContact N-O 2.93Å; D203-P231 HydrophobicContact CB-CB 4.01Å
204	T	85.2	Confident	90.5	Very high	19 Å²	19	37.1 Å²	37.1	12%	0.117	21%	0.21	C	C	.	.			trans	-117.7	134.7	-171.9	-57.9	0	0	0	0	109.9	D176 R201 A202 Y206 R228 T229	D176-T204 HydrophobicContact CB-CG2 4.1Å; D176-T204 WeakPolarHBondContact OD2-CG2 3.38Å; R201-T204 HydrophobicContact CB-CG2 4.43Å; R201-T204 VanDerWaalsContact CB-OG1 3.3Å; R201-T204 WeakPolarHBondContact CB-OG1 3.21Å; R201-T204 WeakPolarHBondContact O-CB 3.24Å; R201-T204 PolarHBondContact O-OG1 3.34Å; A202-T204 PolarHBondContact O-N 3.09Å; A202-T204 PolarHBondContact O-OG1 2.95Å; T204-Y206 HydrophobicContact CG2-CD2 4.16Å; T204-Y206 HydrophobicContact CG2-CE2 3.62Å; T204-Y206 WeakPolarHBondContact O-CD2 3.15Å; T204-R228 WeakPolarHBondContact O-CA 3.38Å; T204-T229 PolarHBondContact N-OG1 2.86Å; T204-T229 PolarHBondContact O-N 2.74Å; T204-T229 PolarHBondContact O-OG1 2.86Å; T204-T229 VanDerWaalsContact O-OG1 3.1Å
205	T	90.3	Very high	90.4	Very high	28 Å²	28	37.6 Å²	37.6	17%	0.172	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	124.3	177.4	-55.5	0	0	0	0	109.9	I177 F227	I177-T205 HydrophobicContact CD1-CG2 3.6Å; I177-T205 HydrophobicContact CG1-CG2 4.18Å; I177-T205 HydrophobicContact CG2-CG2 4.4Å; I177-T205 PolarHBondContact N-O 3.47Å; I177-T205 VanDerWaalsContact N-O 3.08Å; T205-F227 CarbonylContact C-O 3.52Å; T205-F227 WeakPolarHBondContact CA-O 3.49Å
206	Y	91.9	Very high	90.2	Very high	14 Å²	14	42.9 Å²	42.9	6%	0.055	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	142.5	178.6	-74.6	-92.5	0	0	0	110.7	Y174 K175 D176 L200 R201 T204 Q226 F227 T229	Y174-Y206 HydrophobicContact CD2-CD1 4.38Å; K175-Y206 CarbonylContact O-C 3.48Å; K175-Y206 VanDerWaalsContact O-CA 3.23Å; K175-Y206 WeakPolarHBondContact O-CA 3.48Å; D176-Y206 HydrophobicContact CB-CD1 4.26Å; D176-Y206 HydrophobicContact CB-CE1 3.9Å; L200-Y206 HydrophobicContact CB-CE2 3.83Å; L200-Y206 HydrophobicContact CD2-CD1 4Å; L200-Y206 HydrophobicContact CD2-CD2 4.36Å; L200-Y206 HydrophobicContact CD2-CE1 3.68Å; L200-Y206 HydrophobicContact CD2-CE2 4.07Å; L200-Y206 HydrophobicContact CD2-CG 4.34Å; L200-Y206 HydrophobicContact CG-CE2 4.38Å; R201-Y206 PolarHBondContact N-OH 3.1Å; T204-Y206 HydrophobicContact CG2-CD2 4.16Å; T204-Y206 HydrophobicContact CG2-CE2 3.62Å; T204-Y206 WeakPolarHBondContact O-CD2 3.15Å; Y206-Q226 VanDerWaalsContact O-CA 3.27Å; Y206-Q226 WeakPolarHBondContact O-CA 3.36Å; Y206-F227 HydrophobicContact CD2-CE2 4.27Å; Y206-F227 HydrophobicContact CD2-CZ 4.31Å; Y206-F227 HydrophobicContact CG-CE2 4.46Å; Y206-F227 HydrophobicContact CG-CZ 4.07Å; Y206-F227 PolarHBondContact N-O 3.04Å; Y206-F227 PolarHBondContact O-N 3.05Å; Y206-T229 HydrophobicContact CD2-CG2 4.16Å; Y206-T229 HydrophobicContact CE2-CG2 4.12Å
207	D	93.1	Very high	90.1	Very high	12 Å²	12	39.1 Å²	39.1	6%	0.064	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129	172.2	179.3	61	0	0	0	108.9	Y174 K175 I177 S224 Q226	Y174-D207 CarbonylContact C-O 3.53Å; Y174-D207 VanDerWaalsContact CA-O 3.3Å; Y174-D207 WeakPolarHBondContact CA-O 3.43Å; K175-D207 WeakPolarHBondContact CE-OD2 3.47Å; K175-D207 HydrophobicContact CG-CB 4.01Å; K175-D207 PolarHBondContact N-O 3.34Å; K175-D207 PolarHBondContact O-N 2.99Å; I177-D207 HydrophobicContact CG2-CB 3.81Å; D207-S224 VanDerWaalsContact CG-OG 3.29Å; D207-S224 WeakPolarHBondContact OD1-CB 3.3Å; D207-S224 PolarHBondContact OD1-OG 2.63Å; D207-S224 PolarHBondContact OD2-OG 2.77Å; D207-S224 VanDerWaalsContact OD2-OG 3.05Å; D207-Q226 HydrophobicContact CB-CG 4.25Å
208	I	94.8	Very high	90.2	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	146.2	179.8	66.1	172.6	0	0	0	112.7	I141 A143 V153 L172 Q173 V225 F227	I141-I208 HydrophobicContact CG2-CD1 4.12Å; A143-I208 HydrophobicContact CB-CD1 4.18Å; V153-I208 HydrophobicContact CG1-CD1 3.81Å; V153-I208 HydrophobicContact CG2-CD1 3.87Å; L172-I208 HydrophobicContact CD1-CB 4.11Å; L172-I208 HydrophobicContact CD1-CD1 4.4Å; Q173-I208 CarbonylContact O-C 3.52Å; Q173-I208 VanDerWaalsContact O-CA 3.22Å; Q173-I208 WeakPolarHBondContact O-CA 3.48Å; I208-V225 HydrophobicContact CD1-CB 4.5Å; I208-V225 HydrophobicContact CG1-CB 3.91Å; I208-V225 HydrophobicContact CG1-CG1 4.49Å; I208-V225 WeakPolarHBondContact CG1-O 3.41Å; I208-V225 PolarHBondContact N-O 3.35Å; I208-V225 PolarHBondContact O-N 3.28Å; I208-F227 HydrophobicContact CD1-CD1 4.46Å; I208-F227 HydrophobicContact CD1-CE1 4.48Å; I208-F227 HydrophobicContact CG2-CD1 4.28Å; I208-F227 HydrophobicContact CG2-CE1 3.61Å
209	K	94.4	Very high	90.4	Very high	64 Å²	64	37.3 Å²	37.3	28%	0.278	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	153.4	173.6	-64	-178	-176.1	-177.8	0	109.8	Q173 Y221 S224	Q173-K209 PolarHBondContact N-O 3.08Å; Q173-K209 PolarHBondContact O-N 3.29Å; K209-Y221 HydrophobicContact CB-CD1 4.13Å; K209-S224 WeakPolarHBondContact CE-OG 3.43Å
210	M	95	Very high	90.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	144.7	-179.9	-169.9	169.5	65.4	0	0	112.8	P138 I141 W155 A171 L172 S222	P138-M210 HydrophobicContact CB-CE 3.32Å; P138-M210 HydrophobicContact CG-CE 3.54Å; P138-M210 HydrophobicContact CG-CG 4.23Å; I141-M210 HydrophobicContact CD1-CB 3.8Å; I141-M210 HydrophobicContact CD1-CE 4.12Å; I141-M210 HydrophobicContact CG1-CE 3.93Å; W155-M210 HydrophobicContact CB-CE 3.41Å; W155-M210 VanDerWaalsContact CB-CE 3.41Å; W155-M210 VanDerWaalsContact CD1-CE 3.44Å; W155-M210 HydrophobicContact CD2-CE 3.21Å; W155-M210 HydrophobicContact CD2-SD 3.73Å; W155-M210 HydrophobicContact CE3-CE 3.75Å; W155-M210 HydrophobicContact CE3-SD 3.86Å; W155-M210 HydrophobicContact CG-CE 3.05Å; W155-M210 HydrophobicContact CG-SD 4.22Å; W155-M210 HydrophobicContact CH2-SD 4.35Å; W155-M210 HydrophobicContact CZ2-SD 4.2Å; W155-M210 HydrophobicContact CZ3-SD 4.18Å; A171-M210 VanDerWaalsContact O-CA 3.27Å; A171-M210 WeakPolarHBondContact O-CA 3.07Å; A171-M210 WeakPolarHBondContact O-CG 3.2Å; L172-M210 HydrophobicContact CD1-CB 4.22Å; M210-S222 PolarHBondContact N-OG 2.93Å; M210-S222 PolarHBondContact O-N 3.43Å
211	C	95.4	Very high	91	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	164.6	171.5	72.5	0	0	0	0	110.9	Y170 A171 F213 P220 Y221	Y170-C211 CarbonylContact C-O 3.59Å; Y170-C211 VanDerWaalsContact CA-O 3.29Å; Y170-C211 WeakPolarHBondContact CA-O 3.46Å; A171-C211 PolarHBondContact N-O 3.11Å; A171-C211 PolarHBondContact O-N 3.3Å; C211-F213 VanDerWaalsContact SG-CE2 3.59Å; C211-P220 WeakPolarHBondContact CB-O 3.23Å; C211-Y221 HydrophobicContact CB-CD1 3.84Å; C211-Y221 HydrophobicContact CB-CD2 4.44Å; C211-Y221 HydrophobicContact CB-CE1 4.09Å; C211-Y221 HydrophobicContact CB-CG 4.03Å
212	A	95.1	Very high	91.5	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	155.7	178.3	0	0	0	0	0	111.2	P134 P138 V158 I167 Y170 S218 G219	P134-A212 HydrophobicContact CG-CB 4.43Å; P138-A212 HydrophobicContact CG-CB 4.18Å; V158-A212 HydrophobicContact CG2-CB 3.37Å; I167-A212 HydrophobicContact CD1-CB 4.03Å; I167-A212 HydrophobicContact CG2-CB 4.06Å; Y170-A212 HydrophobicContact CD1-CB 3.69Å; Y170-A212 HydrophobicContact CE1-CB 3.74Å; A212-S218 CarbonylContact O-C 3.48Å; A212-S218 WeakPolarHBondContact O-CA 3.1Å; A212-G219 PolarHBondContact O-N 3.4Å
213	F	93.9	Very high	92	Very high	30 Å²	30	37.5 Å²	37.5	13%	0.132	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	140	-179.5	-69.6	-111.4	0	0	0	111.3	I167 V168 K169 A171 F187 C211 G217	I167-F213 CarbonylContact C-O 3.54Å; I167-F213 VanDerWaalsContact CA-O 3.3Å; I167-F213 WeakPolarHBondContact CA-O 3.4Å; V168-F213 HydrophobicContact CG2-CB 4.2Å; V168-F213 WeakPolarHBondContact CG2-O 3.35Å; V168-F213 PolarHBondContact N-O 3.14Å; K169-F213 HydrophobicContact CD-CG 4.37Å; K169-F213 HydrophobicContact CG-CB 3.61Å; K169-F213 HydrophobicContact CG-CD1 4.48Å; K169-F213 HydrophobicContact CG-CD2 3.89Å; K169-F213 HydrophobicContact CG-CG 3.76Å; K169-F213 PolarHBondContact O-N 3.47Å; A171-F213 HydrophobicContact CB-CE2 3.54Å; A171-F213 HydrophobicContact CB-CZ 4.14Å; F187-F213 HydrophobicContact CE1-CE2 4.18Å; F187-F213 AromaticContact CE1-CZ 3.89Å; F187-F213 HydrophobicContact CE1-CZ 3.89Å; C211-F213 VanDerWaalsContact SG-CE2 3.59Å; F213-G217 VanDerWaalsContact CA-O 3.31Å; F213-G217 WeakPolarHBondContact CA-O 3.3Å
214	T	92.8	Very high	92.2	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-177.7	159.3	57.8	0	0	0	0	110.2	E131 E132 P134 R163 Q166 I167 K216 G217	E131-T214 VanDerWaalsContact OE1-CB 3.29Å; E131-T214 WeakPolarHBondContact OE1-CB 3.27Å; E132-T214 WeakPolarHBondContact O-CB 3.22Å; E132-T214 WeakPolarHBondContact O-CG2 3.34Å; E132-T214 PolarHBondContact O-OG1 3.43Å; P134-T214 HydrophobicContact CG-CG2 3.74Å; R163-T214 WeakPolarHBondContact O-CG2 3.36Å; Q166-T214 WeakPolarHBondContact O-CA 3.4Å; I167-T214 HydrophobicContact CD1-CG2 4.11Å; T214-K216 PolarHBondContact O-N 2.87Å; T214-K216 VanDerWaalsContact O-N 3.08Å; T214-K216 PolarHBondContact OG1-N 3.5Å; T214-G217 PolarHBondContact N-O 2.89Å; T214-G217 PolarHBondContact O-N 2.69Å
215	S	89	Confident	92.4	Very high	75 Å²	75	37.7 Å²	37.7	52%	0.524	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-15.7	170.8	81.2	0	0	0	0	113.3	E131	E131-S215 VanDerWaalsContact CD-OG 3.27Å; E131-S215 WeakPolarHBondContact OE2-CB 3.27Å; E131-S215 PolarHBondContact OE2-OG 2.85Å
216	K	90.5	Very high	92.5	Very high	135 Å²	135	42.3 Å²	42.3	59%	0.587	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	-15.7	-177.4	-59	-57.1	-178.5	-174.4	0	114.6	E131 V133 T214	E131-K216 HydrophobicContact CB-CG 4.37Å; E131-K216 HydrophobicContact CG-CG 4.05Å; V133-K216 HydrophobicContact CG1-CB 4.11Å; T214-K216 PolarHBondContact O-N 2.87Å; T214-K216 VanDerWaalsContact O-N 3.08Å; T214-K216 PolarHBondContact OG1-N 3.5Å
217	G	89.4	Confident	92.3	Very high	24 Å²	24	42.6 Å²	42.6	25%	0.247	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140.7	-171.4	-179.6	0	0	0	0	0	113.9	F213 T214	F213-G217 VanDerWaalsContact CA-O 3.31Å; F213-G217 WeakPolarHBondContact CA-O 3.3Å; T214-G217 PolarHBondContact N-O 2.89Å; T214-G217 PolarHBondContact O-N 2.69Å
218	S	92.5	Very high	92	Very high	61 Å²	61	48.9 Å²	48.9	43%	0.427	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	144.7	-177.9	57.3	0	0	0	0	113	A212	A212-S218 CarbonylContact O-C 3.48Å; A212-S218 WeakPolarHBondContact O-CA 3.1Å
219	G	92.1	Very high	91.5	Very high	9 Å²	9	49 Å²	49	9%	0.093	26%	0.262	C	S	.	.			trans	-82.2	-175.1	161.8	0	0	0	0	0	113.3	P134 A212	P134-G219 WeakPolarHBondContact O-CA 3.45Å; A212-G219 PolarHBondContact O-N 3.4Å
220	P	93.8	Very high	90.3	Very high	60 Å²	60	51.2 Å²	51.2	39%	0.39	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-65.4	155.8	176.3	28.1	-34.3	0	0	0	111.9	S135 Y137 C211	S135-P220 WeakPolarHBondContact O-CG 3.48Å; Y137-P220 WeakPolarHBondContact CB-O 3.24Å; Y137-P220 HydrophobicContact CD1-CG 4.25Å; C211-P220 WeakPolarHBondContact CB-O 3.23Å
221	Y	93.8	Very high	88.9	Confident	87 Å²	87	53.4 Å²	53.4	34%	0.341	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-76.9	149.4	168.1	-73.2	-87.6	0	0	0	111.2	Q173 E185 K209 C211	Q173-Y221 HydrophobicContact CB-CE1 3.99Å; E185-Y221 PolarHBondContact OE1-OH 2.89Å; K209-Y221 HydrophobicContact CB-CD1 4.13Å; C211-Y221 HydrophobicContact CB-CD1 3.84Å; C211-Y221 HydrophobicContact CB-CD2 4.44Å; C211-Y221 HydrophobicContact CB-CE1 4.09Å; C211-Y221 HydrophobicContact CB-CG 4.03Å
222	S	94.9	Very high	86.9	Confident	7 Å²	7	58.8 Å²	58.8	5%	0.049	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-62.3	164.9	170.4	70.4	0	0	0	0	112.9	I141 M210	I141-S222 WeakPolarHBondContact CD1-OG 3.34Å; M210-S222 PolarHBondContact N-OG 2.93Å; M210-S222 PolarHBondContact O-N 3.43Å
223	P	90.9	Very high	84.5	Confident	83 Å²	83	64.6 Å²	64.6	54%	0.539	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-52.6	152.9	158.6	-24.3	34.8	0	0	0	112.1
224	S	88.1	Confident	82.4	Confident	55 Å²	55	69.2 Å²	69.2	39%	0.385	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-62.2	133.2	174.6	-89.6	0	0	0	0	112	D207 K209	D207-S224 VanDerWaalsContact CG-OG 3.29Å; D207-S224 WeakPolarHBondContact OD1-CB 3.3Å; D207-S224 PolarHBondContact OD1-OG 2.63Å; D207-S224 PolarHBondContact OD2-OG 2.77Å; D207-S224 VanDerWaalsContact OD2-OG 3.05Å; K209-S224 WeakPolarHBondContact CE-OG 3.43Å
225	V	89.5	Confident	80.2	Confident	43 Å²	43	71.9 Å²	71.9	26%	0.261	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131.3	166.4	179.9	0	0	0	0	108.1	I141 I208	I141-V225 HydrophobicContact CB-CG2 4.38Å; I141-V225 HydrophobicContact CG2-CG2 4.49Å; I208-V225 HydrophobicContact CD1-CB 4.5Å; I208-V225 HydrophobicContact CG1-CB 3.91Å; I208-V225 HydrophobicContact CG1-CG1 4.49Å; I208-V225 WeakPolarHBondContact CG1-O 3.41Å; I208-V225 PolarHBondContact N-O 3.35Å; I208-V225 PolarHBondContact O-N 3.28Å
226	Q	91.8	Very high	78.6	Confident	125 Å²	125	71.3 Å²	71.3	58%	0.584	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.6	142.3	179.7	-67.2	-179	-2.3	0	0	111.2	Y206 D207	Y206-Q226 VanDerWaalsContact O-CA 3.27Å; Y206-Q226 WeakPolarHBondContact O-CA 3.36Å; D207-Q226 HydrophobicContact CB-CG 4.25Å
227	F	87.4	Confident	77.1	Confident	19 Å²	19	65.1 Å²	65.1	8%	0.083	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	156.9	170.3	71.6	-89.7	0	0	0	110	A143 A146 V151 L197 L200 T205 Y206 I208 T229	A143-F227 HydrophobicContact CB-CB 3.84Å; A143-F227 HydrophobicContact CB-CD1 3.59Å; A143-F227 HydrophobicContact CB-CE1 4.35Å; A143-F227 HydrophobicContact CB-CG 3.79Å; A146-F227 HydrophobicContact CB-CD2 4.35Å; V151-F227 HydrophobicContact CB-CD2 4.21Å; V151-F227 HydrophobicContact CB-CE2 3.75Å; V151-F227 HydrophobicContact CB-CZ 4.06Å; V151-F227 HydrophobicContact CG1-CD2 4.25Å; V151-F227 HydrophobicContact CG1-CE1 3.8Å; V151-F227 HydrophobicContact CG1-CE2 3.52Å; V151-F227 HydrophobicContact CG1-CZ 3.28Å; V151-F227 HydrophobicContact CG2-CD2 4.07Å; V151-F227 HydrophobicContact CG2-CE2 4.11Å; V151-F227 HydrophobicContact CG2-CG 4.45Å; L197-F227 HydrophobicContact CD2-CZ 4.32Å; L200-F227 HydrophobicContact CD1-CE2 3.73Å; L200-F227 HydrophobicContact CD1-CZ 3.66Å; T205-F227 CarbonylContact C-O 3.52Å; T205-F227 WeakPolarHBondContact CA-O 3.49Å; Y206-F227 HydrophobicContact CD2-CE2 4.27Å; Y206-F227 HydrophobicContact CD2-CZ 4.31Å; Y206-F227 HydrophobicContact CG-CE2 4.46Å; Y206-F227 HydrophobicContact CG-CZ 4.07Å; Y206-F227 PolarHBondContact N-O 3.04Å; Y206-F227 PolarHBondContact O-N 3.05Å; I208-F227 HydrophobicContact CD1-CD1 4.46Å; I208-F227 HydrophobicContact CD1-CE1 4.48Å; I208-F227 HydrophobicContact CG2-CD1 4.28Å; I208-F227 HydrophobicContact CG2-CE1 3.61Å; F227-T229 HydrophobicContact CE2-CG2 4.07Å
228	R	87.7	Confident	75.8	Confident	145 Å²	145	70.1 Å²	70.1	55%	0.547	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.2	175.1	-170.6	173.9	-180	164.6	0.1	108.9	D203 T204	D203-R228 IonicContact OD1-CZ 2.76Å; D203-R228 IonicContact OD1-NE 3.64Å; D203-R228 PolarHBondContact OD1-NE 3.29Å; D203-R228 IonicContact OD1-NH2 3.66Å; D203-R228 PolarHBondContact OD1-NH2 3.09Å; D203-R228 IonicContact OD2-NH2 3.28Å; D203-R228 PolarHBondContact OD2-NH2 3.42Å; D203-R228 VanDerWaalsContact OD2-NH2 3.08Å; T204-R228 WeakPolarHBondContact O-CA 3.38Å
229	T	83.4	Confident	74.7	Confident	2 Å²	2	71.6 Å²	71.6	1%	0.012	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-65.5	150.4	170.8	48.1	0	0	0	0	109.7	S147 L200 R201 D203 T204 Y206 F227	S147-T229 WeakPolarHBondContact O-CB 3.44Å; L200-T229 HydrophobicContact CB-CG2 3.75Å; L200-T229 HydrophobicContact CD1-CG2 3.84Å; L200-T229 HydrophobicContact CG-CG2 4.47Å; R201-T229 WeakPolarHBondContact O-CB 3.47Å; R201-T229 PolarHBondContact O-OG1 3.07Å; D203-T229 PolarHBondContact N-OG1 3.39Å; T204-T229 PolarHBondContact N-OG1 2.86Å; T204-T229 PolarHBondContact O-N 2.74Å; T204-T229 PolarHBondContact O-OG1 2.86Å; T204-T229 VanDerWaalsContact O-OG1 3.1Å; Y206-T229 HydrophobicContact CD2-CG2 4.16Å; Y206-T229 HydrophobicContact CE2-CG2 4.12Å; F227-T229 HydrophobicContact CE2-CG2 4.07Å
230	Q	69.4	Low	74.3	Confident	110 Å²	110	71.7 Å²	71.7	51%	0.514	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-61.3	143	176.7	-72	174.9	-8.7	0	0	109.4	A146 S147 T148 D203	A146-Q230 VanDerWaalsContact O-CG 3.24Å; A146-Q230 WeakPolarHBondContact O-CG 3.42Å; A146-Q230 PolarHBondContact O-NE2 3.4Å; A146-Q230 VanDerWaalsContact O-NE2 3.14Å; S147-Q230 PolarHBondContact O-N 2.88Å; T148-Q230 WeakPolarHBondContact CA-O 3.08Å; T148-Q230 HydrophobicContact CG2-CB 4.41Å; D203-Q230 PolarHBondContact N-O 2.93Å
231	P	65.1	Low	73.7	Confident	47 Å²	47	73.3 Å²	73.3	31%	0.305	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-57.4	157.2	163.7	25.6	-31.4	0	0	0	109.6	T148 D203 D233	T148-P231 WeakPolarHBondContact CG2-O 3.28Å; D203-P231 HydrophobicContact CB-CB 4.01Å; P231-D233 PolarHBondContact O-N 2.85Å
232	V	53	Low	73.2	Confident	112 Å²	112	71.1 Å²	71.1	68%	0.679	37%	0.365	S	S	*	.			trans	-65.8	77.6	168.7	-178	0	0	0	0	107.6	A202 Q234	A202-V232 HydrophobicContact CB-CG2 3.41Å; A202-V232 VanDerWaalsContact CB-CG2 3.41Å; V232-Q234 PolarHBondContact O-N 3.43Å
233	D	44.8	Very low	72.5	Confident	122 Å²	122	76.6 Å²	76.6	65%	0.652	39%	0.385	S	S	*	.			trans	-80.7	115.1	175.9	-82.8	-13.5	0	0	0	107.6	P231 V235	P231-D233 PolarHBondContact O-N 2.85Å; D233-V235 PolarHBondContact O-N 3.25Å
234	Q	50.1	Low	71.9	Confident	128 Å²	128	72.8 Å²	72.8	60%	0.598	36%	0.361	S	S	*	.			trans	-52.3	115.6	168.9	-71	170.1	-4.8	0	0	108.5	V232 F236	V232-Q234 PolarHBondContact O-N 3.43Å; Q234-F236 HydrophobicContact CB-CE1 3.85Å; Q234-F236 HydrophobicContact CB-CE2 3.96Å; Q234-F236 HydrophobicContact CB-CZ 3.51Å; Q234-F236 HydrophobicContact CG-CZ 4.48Å; Q234-F236 WeakPolarHBondContact O-CD2 3.41Å; Q234-F236 WeakPolarHBondContact O-CE2 3.49Å; Q234-F236 PolarHBondContact O-N 3.25Å; Q234-F236 VanDerWaalsContact OE1-CZ 3.32Å
235	V	47.2	Very low	71.8	Confident	61 Å²	61	70.3 Å²	70.3	37%	0.37	34%	0.343	S	S	.	.			trans	-72.5	113.9	171.8	-177.3	0	0	0	0	107.5	D233 P257 N302	D233-V235 PolarHBondContact O-N 3.25Å; V235-P257 HydrophobicContact CG1-CB 4.19Å; V235-P257 HydrophobicContact CG1-CG 4.03Å; V235-N302 PolarHBondContact O-ND2 2.9Å
236	F	54.7	Low	71.6	Confident	62 Å²	62	68.4 Å²	68.4	27%	0.272	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-93.8	152.9	179.5	-58	-75.3	0	0	0	111.7	Q234	Q234-F236 HydrophobicContact CB-CE1 3.85Å; Q234-F236 HydrophobicContact CB-CE2 3.96Å; Q234-F236 HydrophobicContact CB-CZ 3.51Å; Q234-F236 HydrophobicContact CG-CZ 4.48Å; Q234-F236 WeakPolarHBondContact O-CD2 3.41Å; Q234-F236 WeakPolarHBondContact O-CE2 3.49Å; Q234-F236 PolarHBondContact O-N 3.25Å; Q234-F236 VanDerWaalsContact OE1-CZ 3.32Å
237	A	59.3	Low	71.3	Confident	5 Å²	5	63.9 Å²	63.9	4%	0.041	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-60.3	137.5	164.8	0	0	0	0	0	110	W254 E255 F266 L300	A237-W254 HydrophobicContact CB-CB 4.32Å; A237-W254 HydrophobicContact CB-CG 4.19Å; A237-E255 CarbonylContact C-O 3.58Å; A237-E255 WeakPolarHBondContact CA-O 3.23Å; A237-F266 HydrophobicContact CB-CE1 3.72Å; A237-F266 HydrophobicContact CB-CZ 4.08Å; A237-L300 HydrophobicContact CB-CD2 3.67Å
238	K	62.3	Low	71.1	Confident	130 Å²	130	64.1 Å²	64.1	57%	0.565	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	164.7	178	-66.1	-176.5	178.6	-178	0	109.7	F240 E255 P257	K238-F240 VanDerWaalsContact C-N 3.35Å; K238-F240 PolarHBondContact O-N 2.86Å; K238-E255 PolarHBondContact N-O 3.41Å; K238-E255 PolarHBondContact O-N 3.44Å; K238-P257 HydrophobicContact CD-CG 4.49Å; K238-P257 HydrophobicContact CG-CG 4.36Å
239	N	70.1	Confident	71	Confident	91 Å²	91	57.2 Å²	57.2	49%	0.487	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	58.3	38.2	170.5	-60.3	-24.8	0	0	0	115	H241 W254 E255	N239-H241 PolarHBondContact O-CD2 2.63Å; N239-H241 PolarHBondContact O-N 3.23Å; N239-W254 WeakPolarHBondContact O-CA 3.41Å; N239-E255 HydrophobicContact CB-CB 4.38Å; N239-E255 HydrophobicContact CB-CG 4.18Å; N239-E255 VanDerWaalsContact ND2-CD 3.31Å; N239-E255 PolarHBondContact ND2-OE2 3.25Å
240	F	83.3	Confident	71.2	Confident	12 Å²	12	57.1 Å²	57.1	5%	0.053	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	117.6	173.1	-176.9	-125.9	0	0	0	110.7	K238 L252 T253 W254 I268 F298 L300 H312 V314	K238-F240 VanDerWaalsContact C-N 3.35Å; K238-F240 PolarHBondContact O-N 2.86Å; F240-L252 HydrophobicContact CE2-CB 3.91Å; F240-L252 HydrophobicContact CE2-CD1 4.19Å; F240-L252 HydrophobicContact CE2-CD2 4.31Å; F240-L252 HydrophobicContact CE2-CG 4.37Å; F240-L252 HydrophobicContact CZ-CB 4.47Å; F240-L252 HydrophobicContact CZ-CD1 3.98Å; F240-L252 HydrophobicContact CZ-CD2 4.16Å; F240-L252 HydrophobicContact CZ-CG 4.44Å; F240-T253 CarbonylContact C-O 3.52Å; F240-T253 VanDerWaalsContact CA-O 3.3Å; F240-T253 WeakPolarHBondContact CA-O 3.16Å; F240-W254 HydrophobicContact CB-CB 4.22Å; F240-W254 HydrophobicContact CD2-CB 4.13Å; F240-W254 HydrophobicContact CD2-CD2 4.44Å; F240-W254 AromaticContact CD2-CE3 3.84Å; F240-W254 HydrophobicContact CD2-CE3 3.84Å; F240-W254 AromaticContact CE2-CE3 3.92Å; F240-W254 HydrophobicContact CE2-CE3 3.92Å; F240-W254 HydrophobicContact CE2-CZ3 4.34Å; F240-I268 HydrophobicContact CE2-CD1 4.47Å; F240-I268 HydrophobicContact CZ-CG2 4.45Å; F240-F298 HydrophobicContact CE1-CB 4.2Å; F240-F298 HydrophobicContact CZ-CB 4.04Å; F240-L300 HydrophobicContact CB-CD2 4.38Å; F240-L300 HydrophobicContact CD1-CB 3.9Å; F240-L300 HydrophobicContact CD2-CB 4.07Å; F240-L300 HydrophobicContact CD2-CD2 3.91Å; F240-L300 HydrophobicContact CD2-CG 4.48Å; F240-L300 HydrophobicContact CE1-CB 3.85Å; F240-L300 HydrophobicContact CE2-CB 4.02Å; F240-L300 HydrophobicContact CE2-CD1 4.42Å; F240-L300 HydrophobicContact CE2-CD2 4.36Å; F240-L300 HydrophobicContact CG-CB 4Å; F240-L300 HydrophobicContact CG-CD2 4.18Å; F240-L300 HydrophobicContact CZ-CB 3.91Å; F240-H312 HydrophobicContact CB-CB 4.07Å; F240-H312 HydrophobicContact CD1-CB 4.28Å; F240-H312 WeakPolarHBondContact CD1-O 3.46Å; F240-V314 HydrophobicContact CD1-CB 4.5Å; F240-V314 HydrophobicContact CD1-CG1 3.94Å; F240-V314 HydrophobicContact CD1-CG2 3.9Å; F240-V314 HydrophobicContact CE1-CG1 4.43Å; F240-V314 HydrophobicContact CE1-CG2 3.55Å; F240-V314 HydrophobicContact CZ-CG2 4.04Å; F240-V314 WeakPolarHBondContact O-CG1 3.47Å
241	H	81.4	Confident	72	Confident	93 Å²	93	52.3 Å²	52.3	43%	0.431	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	165.6	-179.3	70.7	82.5	0	0	0	113.9	N239 L252 T253	N239-H241 PolarHBondContact O-CD2 2.63Å; N239-H241 PolarHBondContact O-N 3.23Å; H241-L252 WeakPolarHBondContact O-CA 3.34Å; H241-T253 PolarHBondContact CE1-OG1 3.2Å; H241-T253 PolarHBondContact N-O 3.34Å; H241-T253 PolarHBondContact ND1-OG1 3.08Å; H241-T253 PolarHBondContact NE2-OG1 3.34Å; H241-T253 VanDerWaalsContact NE2-OG1 3.07Å; H241-T253 PolarHBondContact O-N 3.31Å
242	V	82.3	Confident	73	Confident	41 Å²	41	50 Å²	50	25%	0.248	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	130.9	172.5	175.9	0	0	0	0	108.5	V250 L252 V314 T316	V242-V250 HydrophobicContact CG1-CG1 3.89Å; V242-V250 HydrophobicContact CG2-CG1 4.25Å; V242-L252 HydrophobicContact CG2-CD2 3.73Å; V242-V314 HydrophobicContact CG2-CB 4.3Å; V242-V314 HydrophobicContact CG2-CG2 3.9Å; V242-T316 HydrophobicContact CB-CG2 4.46Å; V242-T316 HydrophobicContact CG1-CG2 3.92Å; V242-T316 HydrophobicContact CG2-CG2 3.78Å
243	R	79.8	Confident	74.5	Confident	122 Å²	122	45.2 Å²	45.2	46%	0.46	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-37.4	178.7	-177.6	170.5	-176.8	141.9	3	112.7	L251 T253	R243-L251 HydrophobicContact CB-CD2 4.3Å; R243-L251 HydrophobicContact CB-CG 4.28Å; R243-L251 HydrophobicContact CG-CD2 4.27Å; R243-L251 PolarHBondContact N-O 2.87Å; R243-T253 HydrophobicContact CB-CG2 4Å; R243-T253 HydrophobicContact CG-CG2 4.5Å
244	A	78.5	Confident	76.5	Confident	3 Å²	3	39.7 Å²	39.7	3%	0.025	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	144.7	175.9	0	0	0	0	0	110	M246 L251 L386 Y457	A244-M246 HydrophobicContact CB-SD 4.36Å; A244-L251 HydrophobicContact CB-CB 4.25Å; A244-L251 PolarHBondContact O-N 3.22Å; A244-L386 HydrophobicContact CB-CD1 4.18Å; A244-Y457 HydrophobicContact CB-CD2 4.06Å; A244-Y457 HydrophobicContact CB-CE2 3.98Å
245	A	85.7	Confident	77.8	Confident	3 Å²	3	39 Å²	39	3%	0.025	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123.8	171.5	0	0	0	0	0	109.3	V250 T316 M317 Y457	A245-V250 HydrophobicContact CB-CG2 4.25Å; A245-T316 HydrophobicContact CB-CG2 4.43Å; A245-M317 WeakPolarHBondContact CB-O 3.43Å; A245-Y457 PolarHBondContact O-N 2.79Å
246	M	86.1	Confident	79	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.02	18%	0.182	C	C	.	.			trans	-102.5	179.5	174.2	-59.3	81.4	132.1	0	0	110.2	A244 S249 L286 T318 A319 D378 L382 Y457	A244-M246 HydrophobicContact CB-SD 4.36Å; M246-S249 WeakPolarHBondContact CA-O 3.36Å; M246-S249 WeakPolarHBondContact CB-O 3.5Å; M246-S249 WeakPolarHBondContact CB-OG 3.44Å; M246-S249 PolarHBondContact N-O 3.16Å; M246-S249 PolarHBondContact SD-OG 2.85Å; M246-L286 HydrophobicContact CE-CD1 3.66Å; M246-L286 HydrophobicContact SD-CD1 4.31Å; M246-T318 WeakPolarHBondContact O-CB 3.27Å; M246-A319 PolarHBondContact O-N 3.27Å; M246-D378 HydrophobicContact CB-CB 4.4Å; M246-L382 HydrophobicContact CE-CD1 4.08Å; M246-L382 HydrophobicContact CE-CG 4.37Å; M246-L382 HydrophobicContact CG-CD1 4.49Å; M246-Y457 VanDerWaalsContact CA-O 3.29Å; M246-Y457 WeakPolarHBondContact CA-O 3.42Å
247	K	85	Confident	79.3	Confident	30 Å²	30	36.7 Å²	36.7	13%	0.13	18%	0.178	C	C	.	.	S	Bend	trans	-60.1	-45.9	177	169.4	179.9	77.8	-168.5	0	112.1	P292 A319 D321 D378	K247-P292 HydrophobicContact CD-CG 4.09Å; K247-P292 HydrophobicContact CG-CB 3.85Å; K247-P292 HydrophobicContact CG-CG 3.6Å; K247-P292 WeakPolarHBondContact O-CA 3.33Å; K247-A319 WeakPolarHBondContact CA-O 3.46Å; K247-D321 HydrophobicContact CD-CB 3.6Å; K247-D321 WeakPolarHBondContact CD-OD1 3.42Å; K247-D321 HydrophobicContact CG-CB 4.39Å; K247-D321 IonicContact NZ-OD1 3.61Å; K247-D321 PolarHBondContact NZ-OD1 2.99Å; K247-D321 IonicContact NZ-OD2 2.67Å; K247-D378 WeakPolarHBondContact CB-OD2 3.24Å
248	S	84.4	Confident	79.3	Confident	24 Å²	24	44.9 Å²	44.9	17%	0.168	22%	0.221	C	C	.	.	S	Bend	trans	-122.1	10.5	-176.1	61.9	0	0	0	0	114.5	T288 G289 L290 D378	S248-T288 CarbonylContact O-C 3.6Å; S248-G289 PolarHBondContact O-N 2.87Å; S248-L290 VanDerWaalsContact CA-O 3.3Å; S248-L290 WeakPolarHBondContact CA-O 3.46Å; S248-L290 WeakPolarHBondContact CB-O 3.34Å; S248-L290 PolarHBondContact O-N 3.25Å; S248-D378 PolarHBondContact N-OD2 2.87Å; S248-D378 WeakPolarHBondContact OG-CB 3.46Å; S248-D378 PolarHBondContact OG-OD2 2.85Å
249	S	86.1	Confident	78.8	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	157.4	180	65.5	0	0	0	0	113.5	M246 I287 D378	M246-S249 WeakPolarHBondContact CA-O 3.36Å; M246-S249 WeakPolarHBondContact CB-O 3.5Å; M246-S249 WeakPolarHBondContact CB-OG 3.44Å; M246-S249 PolarHBondContact N-O 3.16Å; M246-S249 PolarHBondContact SD-OG 2.85Å; S249-I287 CarbonylContact C-O 3.59Å; S249-I287 WeakPolarHBondContact CA-O 3.4Å; S249-I287 WeakPolarHBondContact CB-O 3.35Å; S249-D378 WeakPolarHBondContact CB-O 3.46Å; S249-D378 PolarHBondContact OG-O 2.9Å
250	V	86.7	Confident	78.4	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	128.6	177.6	171.9	0	0	0	0	109.4	V242 A245 L252 I287 L290 F298 T316 T318	V242-V250 HydrophobicContact CG1-CG1 3.89Å; V242-V250 HydrophobicContact CG2-CG1 4.25Å; A245-V250 HydrophobicContact CB-CG2 4.25Å; V250-L252 HydrophobicContact CG1-CD2 4.13Å; V250-L252 HydrophobicContact CG1-CG 4.3Å; V250-I287 PolarHBondContact N-O 3.25Å; V250-I287 PolarHBondContact O-N 3.42Å; V250-L290 HydrophobicContact CB-CD1 3.93Å; V250-L290 HydrophobicContact CG2-CD1 3.56Å; V250-F298 HydrophobicContact CB-CE2 4.18Å; V250-F298 HydrophobicContact CB-CZ 3.96Å; V250-F298 HydrophobicContact CG1-CE2 3.86Å; V250-F298 HydrophobicContact CG1-CZ 4.12Å; V250-F298 HydrophobicContact CG2-CE2 4.26Å; V250-F298 HydrophobicContact CG2-CZ 4.13Å; V250-T316 HydrophobicContact CB-CG2 4.39Å; V250-T316 HydrophobicContact CG1-CG2 3.69Å; V250-T316 HydrophobicContact CG2-CG2 3.69Å; V250-T318 HydrophobicContact CG2-CG2 4.03Å
251	L	85.4	Confident	77.4	Confident	8 Å²	8	44.3 Å²	44.3	4%	0.042	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	120.4	176.1	-177.1	63.4	0	0	0	110.5	R243 A244 L286	R243-L251 HydrophobicContact CB-CD2 4.3Å; R243-L251 HydrophobicContact CB-CG 4.28Å; R243-L251 HydrophobicContact CG-CD2 4.27Å; R243-L251 PolarHBondContact N-O 2.87Å; A244-L251 HydrophobicContact CB-CB 4.25Å; A244-L251 PolarHBondContact O-N 3.22Å; L251-L286 HydrophobicContact CB-CD1 3.94Å; L251-L286 HydrophobicContact CD1-CB 4.14Å; L251-L286 HydrophobicContact CD1-CD1 4.33Å
252	L	87.2	Confident	76.4	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	145.6	-179.8	-61.3	165.6	0	0	0	111	F240 H241 V242 V250 W254 I268 Q284 K285 I287 F298 V314	F240-L252 HydrophobicContact CE2-CB 3.91Å; F240-L252 HydrophobicContact CE2-CD1 4.19Å; F240-L252 HydrophobicContact CE2-CD2 4.31Å; F240-L252 HydrophobicContact CE2-CG 4.37Å; F240-L252 HydrophobicContact CZ-CB 4.47Å; F240-L252 HydrophobicContact CZ-CD1 3.98Å; F240-L252 HydrophobicContact CZ-CD2 4.16Å; F240-L252 HydrophobicContact CZ-CG 4.44Å; H241-L252 WeakPolarHBondContact O-CA 3.34Å; V242-L252 HydrophobicContact CG2-CD2 3.73Å; V250-L252 HydrophobicContact CG1-CD2 4.13Å; V250-L252 HydrophobicContact CG1-CG 4.3Å; L252-W254 HydrophobicContact CB-CZ3 4.39Å; L252-I268 HydrophobicContact CD1-CD1 3.93Å; L252-I268 HydrophobicContact CD1-CG2 3.96Å; L252-Q284 CarbonylContact O-C 3.58Å; L252-Q284 WeakPolarHBondContact O-CA 3.28Å; L252-Q284 WeakPolarHBondContact O-CB 3.35Å; L252-K285 PolarHBondContact N-O 2.75Å; L252-K285 PolarHBondContact O-N 3.05Å; L252-I287 HydrophobicContact CD1-CD1 4.45Å; L252-I287 HydrophobicContact CD1-CG1 3.75Å; L252-F298 HydrophobicContact CD1-CB 3.92Å; L252-F298 HydrophobicContact CD1-CD1 3.77Å; L252-F298 HydrophobicContact CD1-CD2 4.42Å; L252-F298 HydrophobicContact CD1-CE1 4.43Å; L252-F298 HydrophobicContact CD1-CG 3.77Å; L252-F298 HydrophobicContact CD2-CB 4.2Å; L252-F298 HydrophobicContact CD2-CD2 4Å; L252-F298 HydrophobicContact CD2-CG 4.08Å; L252-V314 HydrophobicContact CD2-CG2 3.78Å
253	T	83.4	Confident	75.3	Confident	10 Å²	10	44.9 Å²	44.9	6%	0.061	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	149.6	178.5	53	0	0	0	0	112.3	F240 H241 R243 T283 Q284	F240-T253 CarbonylContact C-O 3.52Å; F240-T253 VanDerWaalsContact CA-O 3.3Å; F240-T253 WeakPolarHBondContact CA-O 3.16Å; H241-T253 PolarHBondContact CE1-OG1 3.2Å; H241-T253 PolarHBondContact N-O 3.34Å; H241-T253 PolarHBondContact ND1-OG1 3.08Å; H241-T253 PolarHBondContact NE2-OG1 3.34Å; H241-T253 VanDerWaalsContact NE2-OG1 3.07Å; H241-T253 PolarHBondContact O-N 3.31Å; R243-T253 HydrophobicContact CB-CG2 4Å; R243-T253 HydrophobicContact CG-CG2 4.5Å; T253-T283 CarbonylContact C-O 3.56Å; T253-T283 VanDerWaalsContact CA-O 3.31Å; T253-T283 WeakPolarHBondContact CA-O 3.48Å; T253-Q284 HydrophobicContact CG2-CB 3.8Å
254	W	87.1	Confident	74.6	Confident	7 Å²	7	42.2 Å²	42.2	3%	0.027	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	167.7	177.2	58.3	94.3	0	0	0	111.7	A237 N239 F240 L252 F266 I268 V278 L282 T283 Q284 K285 L300	A237-W254 HydrophobicContact CB-CB 4.32Å; A237-W254 HydrophobicContact CB-CG 4.19Å; N239-W254 WeakPolarHBondContact O-CA 3.41Å; F240-W254 HydrophobicContact CB-CB 4.22Å; F240-W254 HydrophobicContact CD2-CB 4.13Å; F240-W254 HydrophobicContact CD2-CD2 4.44Å; F240-W254 AromaticContact CD2-CE3 3.84Å; F240-W254 HydrophobicContact CD2-CE3 3.84Å; F240-W254 AromaticContact CE2-CE3 3.92Å; F240-W254 HydrophobicContact CE2-CE3 3.92Å; F240-W254 HydrophobicContact CE2-CZ3 4.34Å; L252-W254 HydrophobicContact CB-CZ3 4.39Å; W254-F266 HydrophobicContact CZ2-CD2 4.24Å; W254-F266 AromaticContact NE1-CD2 3.81Å; W254-F266 AromaticContact NE1-CE2 3.58Å; W254-F266 AromaticContact NE1-CZ 4Å; W254-I268 HydrophobicContact CH2-CD1 4.17Å; W254-I268 HydrophobicContact CZ3-CD1 4.02Å; W254-V278 HydrophobicContact CH2-CB 4.45Å; W254-V278 HydrophobicContact CH2-CG1 3.83Å; W254-V278 HydrophobicContact CH2-CG2 4.38Å; W254-V278 HydrophobicContact CZ2-CB 4.47Å; W254-V278 HydrophobicContact CZ2-CG1 3.81Å; W254-L282 WeakPolarHBondContact CZ2-O 3.28Å; W254-L282 PolarHBondContact NE1-O 3.13Å; W254-T283 PolarHBondContact N-O 3.19Å; W254-T283 WeakPolarHBondContact O-CB 3.38Å; W254-Q284 VanDerWaalsContact CH2-C 3.49Å; W254-K285 HydrophobicContact CH2-CB 3.78Å; W254-K285 HydrophobicContact CZ3-CB 4.02Å; W254-L300 HydrophobicContact CB-CD2 4.08Å; W254-L300 HydrophobicContact CD2-CD2 3.93Å; W254-L300 HydrophobicContact CE3-CD2 4.44Å; W254-L300 HydrophobicContact CG-CD2 3.75Å
255	E	77.8	Confident	74.4	Confident	113 Å²	113	44.7 Å²	44.7	53%	0.528	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	141.5	177	-69	177.8	-176.9	0	0	111.5	A237 K238 N239	A237-E255 CarbonylContact C-O 3.58Å; A237-E255 WeakPolarHBondContact CA-O 3.23Å; K238-E255 PolarHBondContact N-O 3.41Å; K238-E255 PolarHBondContact O-N 3.44Å; N239-E255 HydrophobicContact CB-CB 4.38Å; N239-E255 HydrophobicContact CB-CG 4.18Å; N239-E255 VanDerWaalsContact ND2-CD 3.31Å; N239-E255 PolarHBondContact ND2-OE2 3.25Å
256	I	71.8	Confident	74	Confident	46 Å²	46	44.6 Å²	44.6	24%	0.236	26%	0.255	C	S	.	.			trans	-104.1	119	179.3	-61.9	169.3	0	0	0	107.7	Y260 F266 G280 T283	I256-Y260 HydrophobicContact CG2-CD1 3.47Å; I256-Y260 VanDerWaalsContact CG2-CD1 3.47Å; I256-Y260 HydrophobicContact CG2-CE1 4.48Å; I256-Y260 HydrophobicContact CG2-CG 3.62Å; I256-F266 HydrophobicContact CD1-CE2 4.13Å; I256-F266 HydrophobicContact CD1-CZ 4.48Å; I256-F266 HydrophobicContact CG1-CE2 4.24Å; I256-F266 HydrophobicContact CG1-CZ 4.14Å; I256-G280 VanDerWaalsContact CD1-O 3.31Å; I256-G280 WeakPolarHBondContact CD1-O 3.43Å; I256-T283 HydrophobicContact CD1-CG2 3.72Å; I256-T283 HydrophobicContact CG1-CG2 3.92Å
257	P	61.8	Low	73.8	Confident	29 Å²	29	45.1 Å²	45.1	19%	0.188	26%	0.258	C	S	.	.			trans	-62.2	149.7	174.2	-21.6	32.6	0	0	0	112	V235 K238 T259 Y260	V235-P257 HydrophobicContact CG1-CB 4.19Å; V235-P257 HydrophobicContact CG1-CG 4.03Å; K238-P257 HydrophobicContact CD-CG 4.49Å; K238-P257 HydrophobicContact CG-CG 4.36Å; P257-T259 PolarHBondContact O-N 2.88Å; P257-Y260 WeakPolarHBondContact O-CB 3.17Å; P257-Y260 PolarHBondContact O-N 3.22Å
258	D	58.6	Low	73.8	Confident	177 Å²	177	43.7 Å²	43.7	95%	0.947	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-19.5	179.4	-63	-38.2	0	0	0	114
259	T	51.5	Low	73.7	Confident	112 Å²	112	45.3 Å²	45.3	69%	0.687	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-0.8	179.9	56.7	0	0	0	0	114.2	P257	P257-T259 PolarHBondContact O-N 2.88Å
260	Y	61.7	Low	73.7	Confident	18 Å²	18	46.6 Å²	46.6	7%	0.071	26%	0.264	C	S	.	.			trans	-77.5	139.4	-179.2	-174.9	-103	0	0	0	112	I256 P257 P262 Q264 F266 G280	I256-Y260 HydrophobicContact CG2-CD1 3.47Å; I256-Y260 VanDerWaalsContact CG2-CD1 3.47Å; I256-Y260 HydrophobicContact CG2-CE1 4.48Å; I256-Y260 HydrophobicContact CG2-CG 3.62Å; P257-Y260 WeakPolarHBondContact O-CB 3.17Å; P257-Y260 PolarHBondContact O-N 3.22Å; Y260-P262 VanDerWaalsContact O-CD 3.25Å; Y260-P262 WeakPolarHBondContact O-CD 3.41Å; Y260-Q264 PolarHBondContact OH-O 3.24Å; Y260-F266 HydrophobicContact CD1-CZ 4.22Å; Y260-F266 HydrophobicContact CE1-CE1 4.33Å; Y260-F266 AromaticContact CE1-CE2 3.9Å; Y260-F266 HydrophobicContact CE1-CE2 3.9Å; Y260-F266 AromaticContact CE1-CZ 3.52Å; Y260-F266 HydrophobicContact CE1-CZ 3.52Å; Y260-F266 AromaticContact CE2-CE1 3.93Å; Y260-F266 HydrophobicContact CE2-CE1 3.93Å; Y260-F266 AromaticContact CE2-CZ 3.88Å; Y260-F266 HydrophobicContact CE2-CZ 3.88Å; Y260-F266 AromaticContact CZ-CE1 3.66Å; Y260-F266 AromaticContact CZ-CE2 3.98Å; Y260-F266 AromaticContact CZ-CZ 3.32Å; Y260-F266 WeakPolarHBondContact OH-CE1 3.24Å; Y260-F266 WeakPolarHBondContact OH-CZ 3.38Å; Y260-G280 WeakPolarHBondContact CE1-O 3.15Å
261	N	62.3	Low	72.7	Confident	90 Å²	90	50.5 Å²	50.5	48%	0.481	29%	0.285	S	S	.	.			trans	-83.8	110.7	175.1	-176.7	-9.5	0	0	0	110.3	A263 Q264	N261-A263 PolarHBondContact O-N 3.35Å; N261-A263 WeakPolarHBondContact OD1-CB 3.15Å; N261-A263 PolarHBondContact OD1-N 3.15Å; N261-A263 VanDerWaalsContact OD1-N 3.09Å; N261-Q264 PolarHBondContact O-N 2.97Å
262	P	60.3	Low	71.5	Confident	64 Å²	64	58.7 Å²	58.7	42%	0.416	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-6.1	-174.6	-13.3	28.1	0	0	0	114.4	Y260 Q264 K281	Y260-P262 VanDerWaalsContact O-CD 3.25Å; Y260-P262 WeakPolarHBondContact O-CD 3.41Å; P262-Q264 VanDerWaalsContact C-N 3.34Å; P262-K281 HydrophobicContact CB-CG 3.61Å
263	A	61	Low	70.4	Confident	83 Å²	83	62.1 Å²	62.1	69%	0.686	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-9.5	176.3	0	0	0	0	0	113.9	N261	N261-A263 PolarHBondContact O-N 3.35Å; N261-A263 WeakPolarHBondContact OD1-CB 3.15Å; N261-A263 PolarHBondContact OD1-N 3.15Å; N261-A263 VanDerWaalsContact OD1-N 3.09Å
264	Q	64.8	Low	70.2	Confident	65 Å²	65	66.3 Å²	66.3	30%	0.304	38%	0.383	S	S	.	.	S	Bend	trans	-96.1	123.3	177.1	-66.1	-171.6	6.4	0	0	110.9	Y260 N261 P262 G280	Y260-Q264 PolarHBondContact OH-O 3.24Å; N261-Q264 PolarHBondContact O-N 2.97Å; P262-Q264 VanDerWaalsContact C-N 3.34Å; Q264-G280 WeakPolarHBondContact O-CA 3.36Å
265	P	73.3	Confident	70	Confident	56 Å²	56	69.4 Å²	69.4	36%	0.364	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-73.6	153.4	176.7	30.9	-34.1	0	0	0	111.9	V278	P265-V278 CarbonylContact C-O 3.4Å; P265-V278 VanDerWaalsContact CA-O 3.25Å; P265-V278 WeakPolarHBondContact CA-O 3.22Å; P265-V278 VanDerWaalsContact CB-O 3.26Å; P265-V278 WeakPolarHBondContact CB-O 3.34Å
266	F	78.6	Confident	70.4	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	159.4	166.1	-60.2	-78.2	0	0	0	110.6	A237 W254 I256 Y260 E277 V278 G280 L300 T301 N302	A237-F266 HydrophobicContact CB-CE1 3.72Å; A237-F266 HydrophobicContact CB-CZ 4.08Å; W254-F266 HydrophobicContact CZ2-CD2 4.24Å; W254-F266 AromaticContact NE1-CD2 3.81Å; W254-F266 AromaticContact NE1-CE2 3.58Å; W254-F266 AromaticContact NE1-CZ 4Å; I256-F266 HydrophobicContact CD1-CE2 4.13Å; I256-F266 HydrophobicContact CD1-CZ 4.48Å; I256-F266 HydrophobicContact CG1-CE2 4.24Å; I256-F266 HydrophobicContact CG1-CZ 4.14Å; Y260-F266 HydrophobicContact CD1-CZ 4.22Å; Y260-F266 HydrophobicContact CE1-CE1 4.33Å; Y260-F266 AromaticContact CE1-CE2 3.9Å; Y260-F266 HydrophobicContact CE1-CE2 3.9Å; Y260-F266 AromaticContact CE1-CZ 3.52Å; Y260-F266 HydrophobicContact CE1-CZ 3.52Å; Y260-F266 AromaticContact CE2-CE1 3.93Å; Y260-F266 HydrophobicContact CE2-CE1 3.93Å; Y260-F266 AromaticContact CE2-CZ 3.88Å; Y260-F266 HydrophobicContact CE2-CZ 3.88Å; Y260-F266 AromaticContact CZ-CE1 3.66Å; Y260-F266 AromaticContact CZ-CE2 3.98Å; Y260-F266 AromaticContact CZ-CZ 3.32Å; Y260-F266 WeakPolarHBondContact OH-CE1 3.24Å; Y260-F266 WeakPolarHBondContact OH-CZ 3.38Å; F266-E277 CarbonylContact O-C 3.56Å; F266-E277 WeakPolarHBondContact O-CA 3.36Å; F266-V278 HydrophobicContact CB-CB 4.23Å; F266-V278 PolarHBondContact N-O 3.18Å; F266-V278 PolarHBondContact O-N 2.83Å; F266-G280 WeakPolarHBondContact CE2-O 3.3Å; F266-L300 HydrophobicContact CB-CD1 3.72Å; F266-L300 HydrophobicContact CD1-CD1 4.2Å; F266-L300 HydrophobicContact CD1-CD2 4.33Å; F266-L300 HydrophobicContact CD1-CG 4.22Å; F266-L300 HydrophobicContact CG-CD1 4.14Å; F266-T301 CarbonylContact C-O 3.47Å; F266-T301 WeakPolarHBondContact CA-O 3.48Å; F266-N302 WeakPolarHBondContact CD1-OD1 3.41Å; F266-N302 WeakPolarHBondContact CE1-OD1 3.37Å
267	T	81	Confident	70.9	Confident	15 Å²	15	70.2 Å²	70.2	9%	0.092	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	120.5	171.6	-49.3	0	0	0	0	108.8	L269 V276 E277 T301	T267-L269 HydrophobicContact CG2-CD2 4.07Å; T267-V276 CarbonylContact C-O 3.53Å; T267-V276 WeakPolarHBondContact CA-O 3.49Å; T267-E277 HydrophobicContact CG2-CG 4.48Å; T267-T301 PolarHBondContact N-O 3Å; T267-T301 PolarHBondContact O-N 2.97Å; T267-T301 PolarHBondContact O-OG1 3.03Å; T267-T301 VanDerWaalsContact O-OG1 3.09Å
268	I	85	Confident	71.8	Confident	0 Å²	0	69 Å²	69	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	116.8	174.5	-60.4	173.8	0	0	0	108.4	F240 L252 W254 Y270 S275 V276 V278 K285 I287 F298 L299 L300	F240-I268 HydrophobicContact CE2-CD1 4.47Å; F240-I268 HydrophobicContact CZ-CG2 4.45Å; L252-I268 HydrophobicContact CD1-CD1 3.93Å; L252-I268 HydrophobicContact CD1-CG2 3.96Å; W254-I268 HydrophobicContact CH2-CD1 4.17Å; W254-I268 HydrophobicContact CZ3-CD1 4.02Å; I268-Y270 HydrophobicContact CG2-CD1 4.37Å; I268-S275 CarbonylContact O-C 3.45Å; I268-S275 VanDerWaalsContact O-CA 3.29Å; I268-S275 WeakPolarHBondContact O-CA 3.35Å; I268-V276 PolarHBondContact N-O 2.73Å; I268-V276 PolarHBondContact O-N 2.72Å; I268-V278 HydrophobicContact CD1-CG2 3.84Å; I268-V278 HydrophobicContact CG1-CG2 4.15Å; I268-K285 HydrophobicContact CD1-CB 3.95Å; I268-K285 HydrophobicContact CD1-CG 4.19Å; I268-I287 HydrophobicContact CD1-CD1 4.45Å; I268-F298 HydrophobicContact CG2-CB 4.12Å; I268-F298 HydrophobicContact CG2-CD1 4.16Å; I268-L299 CarbonylContact C-O 3.6Å; I268-L299 VanDerWaalsContact CA-O 3.3Å; I268-L299 WeakPolarHBondContact CA-O 3.49Å; I268-L300 HydrophobicContact CD1-CD1 4.24Å; I268-L300 HydrophobicContact CG1-CD1 3.54Å
269	L	83.3	Confident	72.7	Confident	58 Å²	58	64.9 Å²	64.9	30%	0.304	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	134.6	174.9	-56.1	175.9	0	0	0	109.9	T267 Q274 F298 L299 T301	T267-L269 HydrophobicContact CG2-CD2 4.07Å; L269-Q274 CarbonylContact C-O 3.54Å; L269-Q274 WeakPolarHBondContact CA-O 3.44Å; L269-F298 CarbonylContact O-C 3.42Å; L269-F298 WeakPolarHBondContact O-CA 3.37Å; L269-L299 HydrophobicContact CB-CB 4.24Å; L269-L299 HydrophobicContact CD1-CD2 4.14Å; L269-L299 PolarHBondContact N-O 3.3Å; L269-L299 PolarHBondContact O-N 2.87Å; L269-T301 HydrophobicContact CD1-CG2 3.98Å; L269-T301 HydrophobicContact CG-CG2 4.4Å
270	Y	85.2	Confident	73.5	Confident	28 Å²	28	59.6 Å²	59.6	11%	0.11	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	164	174.4	60.7	-81.7	0	0	0	111.1	I268 Q274 V276 I287 L290 S297 F298	I268-Y270 HydrophobicContact CG2-CD1 4.37Å; Y270-Q274 HydrophobicContact CD2-CB 4.31Å; Y270-Q274 HydrophobicContact CE2-CB 4.09Å; Y270-Q274 PolarHBondContact N-O 3.17Å; Y270-Q274 CarbonylContact O-C 3.54Å; Y270-Q274 WeakPolarHBondContact O-CA 3.29Å; Y270-Q274 WeakPolarHBondContact O-CB 3.42Å; Y270-Q274 PolarHBondContact O-N 3.07Å; Y270-Q274 VanDerWaalsContact O-O 3.05Å; Y270-V276 HydrophobicContact CE1-CB 4.38Å; Y270-V276 HydrophobicContact CE1-CG2 3.71Å; Y270-I287 HydrophobicContact CD1-CG2 4.43Å; Y270-I287 HydrophobicContact CD2-CG2 4.48Å; Y270-I287 HydrophobicContact CE1-CD1 4.3Å; Y270-I287 HydrophobicContact CE1-CG2 3.85Å; Y270-I287 HydrophobicContact CE2-CG2 3.9Å; Y270-L290 HydrophobicContact CD2-CD2 4.27Å; Y270-L290 HydrophobicContact CE2-CD2 4.03Å; Y270-S297 WeakPolarHBondContact CA-O 3.48Å; Y270-S297 WeakPolarHBondContact CB-O 3.45Å; Y270-F298 HydrophobicContact CD1-CD1 4.11Å; Y270-F298 HydrophobicContact CD1-CE1 4.26Å; Y270-F298 HydrophobicContact CD2-CE1 4.17Å; Y270-F298 AromaticContact CG-CD1 3.87Å; Y270-F298 HydrophobicContact CG-CD1 3.87Å; Y270-F298 AromaticContact CG-CE1 3.82Å; Y270-F298 HydrophobicContact CG-CE1 3.82Å
271	D	66.6	Low	74.1	Confident	82 Å²	82	65.8 Å²	65.8	44%	0.439	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	44.6	82.9	174.7	-167.9	23.7	0	0	0	116.5	G273 Q274 Y296	D271-G273 PolarHBondContact O-N 3.47Å; D271-Q274 PolarHBondContact O-N 2.92Å; D271-Y296 HydrophobicContact CB-CD1 4.28Å; D271-Y296 HydrophobicContact CB-CE1 4.13Å
272	N	59.5	Low	74.9	Confident	180 Å²	180	65.4 Å²	65.4	96%	0.963	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	42.5	26.6	172.8	-80.1	-4.3	0	0	0	117
273	G	63	Low	75.9	Confident	72 Å²	72	65.5 Å²	65.5	74%	0.742	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	131.8	2.5	172.8	0	0	0	0	0	116.9	D271	D271-G273 PolarHBondContact O-N 3.47Å
274	Q	80.4	Confident	77	Confident	98 Å²	98	64.1 Å²	64.1	46%	0.458	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	149.2	171.6	-61.4	-171.3	-11	0	0	111.6	L269 Y270 D271	L269-Q274 CarbonylContact C-O 3.54Å; L269-Q274 WeakPolarHBondContact CA-O 3.44Å; Y270-Q274 HydrophobicContact CD2-CB 4.31Å; Y270-Q274 HydrophobicContact CE2-CB 4.09Å; Y270-Q274 PolarHBondContact N-O 3.17Å; Y270-Q274 CarbonylContact O-C 3.54Å; Y270-Q274 WeakPolarHBondContact O-CA 3.29Å; Y270-Q274 WeakPolarHBondContact O-CB 3.42Å; Y270-Q274 PolarHBondContact O-N 3.07Å; Y270-Q274 VanDerWaalsContact O-O 3.05Å; D271-Q274 PolarHBondContact O-N 2.92Å
275	S	83.2	Confident	78.1	Confident	71 Å²	71	64.3 Å²	64.3	50%	0.497	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	140.2	-177.3	67.9	0	0	0	0	112.2	I268	I268-S275 CarbonylContact O-C 3.45Å; I268-S275 VanDerWaalsContact O-CA 3.29Å; I268-S275 WeakPolarHBondContact O-CA 3.35Å
276	V	85.1	Confident	78.8	Confident	36 Å²	36	63.4 Å²	63.4	22%	0.218	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	124.1	173.2	171.4	0	0	0	0	109.6	T267 I268 Y270 V278 I287	T267-V276 CarbonylContact C-O 3.53Å; T267-V276 WeakPolarHBondContact CA-O 3.49Å; I268-V276 PolarHBondContact N-O 2.73Å; I268-V276 PolarHBondContact O-N 2.72Å; Y270-V276 HydrophobicContact CE1-CB 4.38Å; Y270-V276 HydrophobicContact CE1-CG2 3.71Å; V276-V278 HydrophobicContact CG1-CG2 4.5Å; V276-I287 HydrophobicContact CB-CD1 4.32Å; V276-I287 HydrophobicContact CG1-CD1 4.43Å; V276-I287 HydrophobicContact CG2-CD1 4.38Å
277	E	82.9	Confident	79.2	Confident	140 Å²	140	63.6 Å²	63.6	65%	0.654	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	141.3	171.1	-73.5	-171.3	153.2	0	0	111.4	F266 T267	F266-E277 CarbonylContact O-C 3.56Å; F266-E277 WeakPolarHBondContact O-CA 3.36Å; T267-E277 HydrophobicContact CG2-CG 4.48Å
278	V	80.7	Confident	79.4	Confident	4 Å²	4	65.9 Å²	65.9	2%	0.024	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	134.5	-179.6	-171.8	0	0	0	0	108.5	W254 P265 F266 I268 V276 L282 K285	W254-V278 HydrophobicContact CH2-CB 4.45Å; W254-V278 HydrophobicContact CH2-CG1 3.83Å; W254-V278 HydrophobicContact CH2-CG2 4.38Å; W254-V278 HydrophobicContact CZ2-CB 4.47Å; W254-V278 HydrophobicContact CZ2-CG1 3.81Å; P265-V278 CarbonylContact C-O 3.4Å; P265-V278 VanDerWaalsContact CA-O 3.25Å; P265-V278 WeakPolarHBondContact CA-O 3.22Å; P265-V278 VanDerWaalsContact CB-O 3.26Å; P265-V278 WeakPolarHBondContact CB-O 3.34Å; F266-V278 HydrophobicContact CB-CB 4.23Å; F266-V278 PolarHBondContact N-O 3.18Å; F266-V278 PolarHBondContact O-N 2.83Å; I268-V278 HydrophobicContact CD1-CG2 3.84Å; I268-V278 HydrophobicContact CG1-CG2 4.15Å; V276-V278 HydrophobicContact CG1-CG2 4.5Å; V278-L282 HydrophobicContact CG1-CB 3.83Å; V278-L282 HydrophobicContact CG1-CD1 3.84Å; V278-L282 HydrophobicContact CG1-CG 4.43Å; V278-K285 HydrophobicContact CG1-CD 4.49Å; V278-K285 HydrophobicContact CG2-CB 4.1Å; V278-K285 HydrophobicContact CG2-CD 4.02Å; V278-K285 HydrophobicContact CG2-CG 3.85Å
279	D	76.9	Confident	79.3	Confident	90 Å²	90	68.9 Å²	68.9	48%	0.481	39%	0.39	S	S	.	.			trans	-56.9	139.7	175.6	-173.6	-64.9	0	0	0	111.3	K281 L282	D279-K281 PolarHBondContact O-N 3.18Å; D279-K281 VanDerWaalsContact O-N 3.08Å; D279-K281 WeakPolarHBondContact OD1-CB 3.09Å; D279-K281 PolarHBondContact OD1-N 3.27Å; D279-L282 HydrophobicContact CB-CD1 3.98Å; D279-L282 HydrophobicContact CB-CG 4.1Å; D279-L282 PolarHBondContact O-N 2.78Å
280	G	69.2	Low	79.5	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.01	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-12.7	-176.5	0	0	0	0	0	115.7	I256 Y260 Q264 F266	I256-G280 VanDerWaalsContact CD1-O 3.31Å; I256-G280 WeakPolarHBondContact CD1-O 3.43Å; Y260-G280 WeakPolarHBondContact CE1-O 3.15Å; Q264-G280 WeakPolarHBondContact O-CA 3.36Å; F266-G280 WeakPolarHBondContact CE2-O 3.3Å
281	K	74.1	Confident	79.4	Confident	148 Å²	148	70.8 Å²	70.8	64%	0.643	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-16.6	176	-65.2	171.1	-175.2	176.9	0	113.1	P262 D279	P262-K281 HydrophobicContact CB-CG 3.61Å; D279-K281 PolarHBondContact O-N 3.18Å; D279-K281 VanDerWaalsContact O-N 3.08Å; D279-K281 WeakPolarHBondContact OD1-CB 3.09Å; D279-K281 PolarHBondContact OD1-N 3.27Å
282	L	78.9	Confident	80.3	Confident	83 Å²	83	69.1 Å²	69.1	44%	0.435	39%	0.392	S	S	.	.			trans	-81.5	138.8	-177.8	-63.2	174.8	0	0	0	109.8	W254 V278 D279	W254-L282 WeakPolarHBondContact CZ2-O 3.28Å; W254-L282 PolarHBondContact NE1-O 3.13Å; V278-L282 HydrophobicContact CG1-CB 3.83Å; V278-L282 HydrophobicContact CG1-CD1 3.84Å; V278-L282 HydrophobicContact CG1-CG 4.43Å; D279-L282 HydrophobicContact CB-CD1 3.98Å; D279-L282 HydrophobicContact CB-CG 4.1Å; D279-L282 PolarHBondContact O-N 2.78Å
283	T	82	Confident	81.4	Confident	66 Å²	66	67.2 Å²	67.2	41%	0.405	38%	0.378	S	S	.	.	S	Bend	trans	-106.7	4.9	175.2	47.1	0	0	0	0	112.1	T253 W254 I256	T253-T283 CarbonylContact C-O 3.56Å; T253-T283 VanDerWaalsContact CA-O 3.31Å; T253-T283 WeakPolarHBondContact CA-O 3.48Å; W254-T283 PolarHBondContact N-O 3.19Å; W254-T283 WeakPolarHBondContact O-CB 3.38Å; I256-T283 HydrophobicContact CD1-CG2 3.72Å; I256-T283 HydrophobicContact CG1-CG2 3.92Å
284	Q	84.1	Confident	82.3	Confident	54 Å²	54	66.3 Å²	66.3	25%	0.252	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	152.7	-178.2	64.9	-179.6	2.9	0	0	113.1	L252 T253 W254 E383	L252-Q284 CarbonylContact O-C 3.58Å; L252-Q284 WeakPolarHBondContact O-CA 3.28Å; L252-Q284 WeakPolarHBondContact O-CB 3.35Å; T253-Q284 HydrophobicContact CG2-CB 3.8Å; W254-Q284 VanDerWaalsContact CH2-C 3.49Å; Q284-E383 PolarHBondContact NE2-OE2 3.13Å
285	K	88.2	Confident	82.5	Confident	69 Å²	69	68.4 Å²	68.4	30%	0.3	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	132.3	176.7	-176.2	69.2	173.7	-171.8	0	111.7	L252 W254 I268 V278 I287	L252-K285 PolarHBondContact N-O 2.75Å; L252-K285 PolarHBondContact O-N 3.05Å; W254-K285 HydrophobicContact CH2-CB 3.78Å; W254-K285 HydrophobicContact CZ3-CB 4.02Å; I268-K285 HydrophobicContact CD1-CB 3.95Å; I268-K285 HydrophobicContact CD1-CG 4.19Å; V278-K285 HydrophobicContact CG1-CD 4.49Å; V278-K285 HydrophobicContact CG2-CB 4.1Å; V278-K285 HydrophobicContact CG2-CD 4.02Å; V278-K285 HydrophobicContact CG2-CG 3.85Å; K285-I287 HydrophobicContact CG-CD1 3.9Å
286	L	86.1	Confident	82.5	Confident	37 Å²	37	65.8 Å²	65.8	19%	0.194	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	124.1	167.8	-173.4	69.3	0	0	0	109.2	M246 L251 T288	M246-L286 HydrophobicContact CE-CD1 3.66Å; M246-L286 HydrophobicContact SD-CD1 4.31Å; L251-L286 HydrophobicContact CB-CD1 3.94Å; L251-L286 HydrophobicContact CD1-CB 4.14Å; L251-L286 HydrophobicContact CD1-CD1 4.33Å; L286-T288 HydrophobicContact CD2-CG2 3.95Å; L286-T288 HydrophobicContact CG-CG2 4.02Å
287	I	87.9	Confident	82.4	Confident	4 Å²	4	65.1 Å²	65.1	2%	0.021	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.3	171.7	-52.8	-60.2	0	0	0	107.7	S249 V250 L252 I268 Y270 V276 K285 L290 F298	S249-I287 CarbonylContact C-O 3.59Å; S249-I287 WeakPolarHBondContact CA-O 3.4Å; S249-I287 WeakPolarHBondContact CB-O 3.35Å; V250-I287 PolarHBondContact N-O 3.25Å; V250-I287 PolarHBondContact O-N 3.42Å; L252-I287 HydrophobicContact CD1-CD1 4.45Å; L252-I287 HydrophobicContact CD1-CG1 3.75Å; I268-I287 HydrophobicContact CD1-CD1 4.45Å; Y270-I287 HydrophobicContact CD1-CG2 4.43Å; Y270-I287 HydrophobicContact CD2-CG2 4.48Å; Y270-I287 HydrophobicContact CE1-CD1 4.3Å; Y270-I287 HydrophobicContact CE1-CG2 3.85Å; Y270-I287 HydrophobicContact CE2-CG2 3.9Å; V276-I287 HydrophobicContact CB-CD1 4.32Å; V276-I287 HydrophobicContact CG1-CD1 4.43Å; V276-I287 HydrophobicContact CG2-CD1 4.38Å; K285-I287 HydrophobicContact CG-CD1 3.9Å; I287-L290 HydrophobicContact CG2-CD1 4.36Å; I287-L290 HydrophobicContact CG2-CD2 4.07Å; I287-L290 HydrophobicContact CG2-CG 4.36Å; I287-F298 HydrophobicContact CB-CE1 4.16Å; I287-F298 HydrophobicContact CG1-CD1 4.28Å; I287-F298 HydrophobicContact CG1-CE1 4.01Å; I287-F298 HydrophobicContact CG2-CE1 4.06Å
288	T	86.1	Confident	82.6	Confident	62 Å²	62	58.5 Å²	58.5	38%	0.38	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	171.6	-176.9	59.2	0	0	0	0	111.5	S248 L286 E379	S248-T288 CarbonylContact O-C 3.6Å; L286-T288 HydrophobicContact CD2-CG2 3.95Å; L286-T288 HydrophobicContact CG-CG2 4.02Å; T288-E379 HydrophobicContact CG2-CB 4.5Å; T288-E379 HydrophobicContact CG2-CG 4.19Å
289	G	81.4	Confident	82.7	Confident	64 Å²	64	59.4 Å²	59.4	66%	0.66	32%	0.317	S	S	*	.	S	Bend	trans	76.9	19	177.4	0	0	0	0	0	114.6	S248	S248-G289 PolarHBondContact O-N 2.87Å
290	L	87.1	Confident	82.9	Confident	6 Å²	6	55.9 Å²	55.9	3%	0.031	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-79.7	153.6	177.9	-57	177.9	0	0	0	110.8	S248 V250 Y270 I287 Y296 F298 T318	S248-L290 VanDerWaalsContact CA-O 3.3Å; S248-L290 WeakPolarHBondContact CA-O 3.46Å; S248-L290 WeakPolarHBondContact CB-O 3.34Å; S248-L290 PolarHBondContact O-N 3.25Å; V250-L290 HydrophobicContact CB-CD1 3.93Å; V250-L290 HydrophobicContact CG2-CD1 3.56Å; Y270-L290 HydrophobicContact CD2-CD2 4.27Å; Y270-L290 HydrophobicContact CE2-CD2 4.03Å; I287-L290 HydrophobicContact CG2-CD1 4.36Å; I287-L290 HydrophobicContact CG2-CD2 4.07Å; I287-L290 HydrophobicContact CG2-CG 4.36Å; L290-Y296 HydrophobicContact CB-CD2 4.27Å; L290-Y296 HydrophobicContact CB-CE2 3.66Å; L290-Y296 HydrophobicContact CD1-CD2 4.21Å; L290-Y296 HydrophobicContact CD1-CE2 4.42Å; L290-Y296 HydrophobicContact CD1-CG 4.49Å; L290-Y296 HydrophobicContact CD2-CD1 3.92Å; L290-Y296 HydrophobicContact CD2-CD2 4.27Å; L290-Y296 HydrophobicContact CD2-CE1 3.69Å; L290-Y296 HydrophobicContact CD2-CE2 4.04Å; L290-Y296 HydrophobicContact CD2-CG 4.21Å; L290-Y296 HydrophobicContact CG-CD2 4.49Å; L290-Y296 HydrophobicContact CG-CE2 4.25Å; L290-F298 HydrophobicContact CD1-CZ 3.97Å; L290-T318 HydrophobicContact CB-CG2 3.84Å; L290-T318 HydrophobicContact CD1-CG2 3.96Å
291	Q	84.8	Confident	83	Confident	119 Å²	119	57 Å²	57	56%	0.556	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-78.9	141.2	175.8	-65	-56.6	-50.2	0	0	110.6	T294 Y296 T318	Q291-T294 WeakPolarHBondContact CB-OG1 3.47Å; Q291-T294 WeakPolarHBondContact O-CB 3.46Å; Q291-Y296 PolarHBondContact N-OH 3.32Å; Q291-T318 WeakPolarHBondContact O-CB 3.39Å; Q291-T318 PolarHBondContact O-OG1 3.1Å
292	P	84.5	Confident	82.4	Confident	48 Å²	48	50.9 Å²	50.9	31%	0.312	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	150.6	172.2	-22.1	32.4	0	0	0	112.1	K247 T294 D321	K247-P292 HydrophobicContact CD-CG 4.09Å; K247-P292 HydrophobicContact CG-CB 3.85Å; K247-P292 HydrophobicContact CG-CG 3.6Å; K247-P292 WeakPolarHBondContact O-CA 3.33Å; P292-T294 PolarHBondContact O-N 3.42Å; P292-T294 VanDerWaalsContact O-N 3.07Å; P292-T294 PolarHBondContact O-OG1 3.14Å; P292-D321 HydrophobicContact CB-CB 4.44Å
293	E	82.4	Confident	81.3	Confident	140 Å²	140	55.7 Å²	55.7	65%	0.654	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	36.5	173.7	-155.8	179.4	179.2	0	0	113.8	T318 A319	E293-T318 WeakPolarHBondContact CA-O 3.39Å; E293-T318 PolarHBondContact N-O 2.92Å; E293-T318 PolarHBondContact N-OG1 2.8Å; E293-A319 PolarHBondContact N-O 3.49Å
294	T	82.3	Confident	79.6	Confident	52 Å²	52	55.9 Å²	55.9	32%	0.319	31%	0.307	S	S	.	.			trans	-123.1	133.7	-175.1	-59.1	0	0	0	0	111.2	Q291 P292 Y296 M317 T318	Q291-T294 WeakPolarHBondContact CB-OG1 3.47Å; Q291-T294 WeakPolarHBondContact O-CB 3.46Å; P292-T294 PolarHBondContact O-N 3.42Å; P292-T294 VanDerWaalsContact O-N 3.07Å; P292-T294 PolarHBondContact O-OG1 3.14Å; T294-Y296 HydrophobicContact CG2-CD2 4.32Å; T294-Y296 HydrophobicContact CG2-CE2 3.69Å; T294-Y296 VanDerWaalsContact O-CD2 3.25Å; T294-Y296 WeakPolarHBondContact O-CD2 3.19Å; T294-Y296 PolarHBondContact O-N 3.05Å; T294-M317 WeakPolarHBondContact CA-SD 3.34Å; T294-M317 PolarHBondContact N-SD 2.75Å; T294-M317 VanDerWaalsContact O-SD 3.4Å; T294-T318 PolarHBondContact N-OG1 3.45Å; T294-T318 PolarHBondContact O-N 2.69Å; T294-T318 VanDerWaalsContact O-N 3.15Å; T294-T318 PolarHBondContact O-OG1 2.92Å
295	Q	84.2	Confident	77.5	Confident	143 Å²	143	60.5 Å²	60.5	67%	0.668	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	114.5	-177.9	-172.4	174	-9.6	0	0	109.8	M317	Q295-M317 HydrophobicContact CB-CE 3.71Å; Q295-M317 HydrophobicContact CB-SD 4.09Å; Q295-M317 PolarHBondContact N-SD 3.38Å
296	Y	83.4	Confident	75.4	Confident	16 Å²	16	62.7 Å²	62.7	6%	0.063	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	151.6	175.2	-72.2	-82.1	0	0	0	111.4	D271 L290 Q291 T294 F298 S315 T316 T318	D271-Y296 HydrophobicContact CB-CD1 4.28Å; D271-Y296 HydrophobicContact CB-CE1 4.13Å; L290-Y296 HydrophobicContact CB-CD2 4.27Å; L290-Y296 HydrophobicContact CB-CE2 3.66Å; L290-Y296 HydrophobicContact CD1-CD2 4.21Å; L290-Y296 HydrophobicContact CD1-CE2 4.42Å; L290-Y296 HydrophobicContact CD1-CG 4.49Å; L290-Y296 HydrophobicContact CD2-CD1 3.92Å; L290-Y296 HydrophobicContact CD2-CD2 4.27Å; L290-Y296 HydrophobicContact CD2-CE1 3.69Å; L290-Y296 HydrophobicContact CD2-CE2 4.04Å; L290-Y296 HydrophobicContact CD2-CG 4.21Å; L290-Y296 HydrophobicContact CG-CD2 4.49Å; L290-Y296 HydrophobicContact CG-CE2 4.25Å; Q291-Y296 PolarHBondContact N-OH 3.32Å; T294-Y296 HydrophobicContact CG2-CD2 4.32Å; T294-Y296 HydrophobicContact CG2-CE2 3.69Å; T294-Y296 VanDerWaalsContact O-CD2 3.25Å; T294-Y296 WeakPolarHBondContact O-CD2 3.19Å; T294-Y296 PolarHBondContact O-N 3.05Å; Y296-F298 HydrophobicContact CG-CZ 4.23Å; Y296-S315 CarbonylContact O-C 3.6Å; Y296-S315 WeakPolarHBondContact O-CA 3.29Å; Y296-S315 WeakPolarHBondContact O-CB 3.46Å; Y296-T316 PolarHBondContact N-O 2.9Å; Y296-T316 PolarHBondContact O-N 3.44Å; Y296-T318 HydrophobicContact CD2-CG2 3.92Å; Y296-T318 HydrophobicContact CE2-CG2 4.03Å
297	S	83.7	Confident	73	Confident	22 Å²	22	65.4 Å²	65.4	15%	0.154	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	126.7	172.7	-166	0	0	0	0	110.2	Y270 R313 V314 S315	Y270-S297 WeakPolarHBondContact CA-O 3.48Å; Y270-S297 WeakPolarHBondContact CB-O 3.45Å; S297-R313 VanDerWaalsContact OG-CG 3.23Å; S297-R313 WeakPolarHBondContact OG-CG 3.36Å; S297-R313 PolarHBondContact OG-NE 3.44Å; S297-R313 PolarHBondContact OG-NH2 3.01Å; S297-V314 CarbonylContact C-O 3.5Å; S297-V314 WeakPolarHBondContact CA-O 3.47Å; S297-V314 PolarHBondContact OG-O 3Å; S297-S315 WeakPolarHBondContact CB-OG 3.45Å; S297-S315 PolarHBondContact OG-OG 3.26Å
298	F	85.7	Confident	70.9	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	138.3	-173.4	-54.8	-85.6	0	0	0	109.5	F240 V250 L252 I268 L269 Y270 I287 L290 Y296 R313 V314 T316	F240-F298 HydrophobicContact CE1-CB 4.2Å; F240-F298 HydrophobicContact CZ-CB 4.04Å; V250-F298 HydrophobicContact CB-CE2 4.18Å; V250-F298 HydrophobicContact CB-CZ 3.96Å; V250-F298 HydrophobicContact CG1-CE2 3.86Å; V250-F298 HydrophobicContact CG1-CZ 4.12Å; V250-F298 HydrophobicContact CG2-CE2 4.26Å; V250-F298 HydrophobicContact CG2-CZ 4.13Å; L252-F298 HydrophobicContact CD1-CB 3.92Å; L252-F298 HydrophobicContact CD1-CD1 3.77Å; L252-F298 HydrophobicContact CD1-CD2 4.42Å; L252-F298 HydrophobicContact CD1-CE1 4.43Å; L252-F298 HydrophobicContact CD1-CG 3.77Å; L252-F298 HydrophobicContact CD2-CB 4.2Å; L252-F298 HydrophobicContact CD2-CD2 4Å; L252-F298 HydrophobicContact CD2-CG 4.08Å; I268-F298 HydrophobicContact CG2-CB 4.12Å; I268-F298 HydrophobicContact CG2-CD1 4.16Å; L269-F298 CarbonylContact O-C 3.42Å; L269-F298 WeakPolarHBondContact O-CA 3.37Å; Y270-F298 HydrophobicContact CD1-CD1 4.11Å; Y270-F298 HydrophobicContact CD1-CE1 4.26Å; Y270-F298 HydrophobicContact CD2-CE1 4.17Å; Y270-F298 AromaticContact CG-CD1 3.87Å; Y270-F298 HydrophobicContact CG-CD1 3.87Å; Y270-F298 AromaticContact CG-CE1 3.82Å; Y270-F298 HydrophobicContact CG-CE1 3.82Å; I287-F298 HydrophobicContact CB-CE1 4.16Å; I287-F298 HydrophobicContact CG1-CD1 4.28Å; I287-F298 HydrophobicContact CG1-CE1 4.01Å; I287-F298 HydrophobicContact CG2-CE1 4.06Å; L290-F298 HydrophobicContact CD1-CZ 3.97Å; Y296-F298 HydrophobicContact CG-CZ 4.23Å; F298-R313 CarbonylContact O-C 3.51Å; F298-R313 WeakPolarHBondContact O-CA 3.46Å; F298-V314 HydrophobicContact CB-CG2 4.03Å; F298-V314 PolarHBondContact N-O 3.16Å; F298-V314 PolarHBondContact O-N 3.22Å; F298-T316 HydrophobicContact CE2-CG2 3.99Å
299	L	83.5	Confident	68.6	Low	23 Å²	23	67.9 Å²	67.9	12%	0.12	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	118.3	-179.1	169.3	62	0	0	0	109.7	I268 L269 T301 Q311	I268-L299 CarbonylContact C-O 3.6Å; I268-L299 VanDerWaalsContact CA-O 3.3Å; I268-L299 WeakPolarHBondContact CA-O 3.49Å; L269-L299 HydrophobicContact CB-CB 4.24Å; L269-L299 HydrophobicContact CD1-CD2 4.14Å; L269-L299 PolarHBondContact N-O 3.3Å; L269-L299 PolarHBondContact O-N 2.87Å; L299-T301 HydrophobicContact CD1-CG2 4.45Å; L299-T301 HydrophobicContact CD2-CG2 4.15Å; L299-T301 HydrophobicContact CG-CG2 3.85Å; L299-Q311 HydrophobicContact CD1-CB 3.47Å; L299-Q311 VanDerWaalsContact CD1-CB 3.47Å; L299-Q311 HydrophobicContact CD1-CG 3.8Å; L299-Q311 HydrophobicContact CD2-CG 4.26Å
300	L	81.4	Confident	66.8	Low	17 Å²	17	71.3 Å²	71.3	9%	0.089	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	129.7	176.8	-171.4	69.4	0	0	0	110.7	A237 F240 W254 F266 I268	A237-L300 HydrophobicContact CB-CD2 3.67Å; F240-L300 HydrophobicContact CB-CD2 4.38Å; F240-L300 HydrophobicContact CD1-CB 3.9Å; F240-L300 HydrophobicContact CD2-CB 4.07Å; F240-L300 HydrophobicContact CD2-CD2 3.91Å; F240-L300 HydrophobicContact CD2-CG 4.48Å; F240-L300 HydrophobicContact CE1-CB 3.85Å; F240-L300 HydrophobicContact CE2-CB 4.02Å; F240-L300 HydrophobicContact CE2-CD1 4.42Å; F240-L300 HydrophobicContact CE2-CD2 4.36Å; F240-L300 HydrophobicContact CG-CB 4Å; F240-L300 HydrophobicContact CG-CD2 4.18Å; F240-L300 HydrophobicContact CZ-CB 3.91Å; W254-L300 HydrophobicContact CB-CD2 4.08Å; W254-L300 HydrophobicContact CD2-CD2 3.93Å; W254-L300 HydrophobicContact CE3-CD2 4.44Å; W254-L300 HydrophobicContact CG-CD2 3.75Å; F266-L300 HydrophobicContact CB-CD1 3.72Å; F266-L300 HydrophobicContact CD1-CD1 4.2Å; F266-L300 HydrophobicContact CD1-CD2 4.33Å; F266-L300 HydrophobicContact CD1-CG 4.22Å; F266-L300 HydrophobicContact CG-CD1 4.14Å; I268-L300 HydrophobicContact CD1-CD1 4.24Å; I268-L300 HydrophobicContact CG1-CD1 3.54Å
301	T	71.8	Confident	65.4	Low	23 Å²	23	76.2 Å²	76.2	14%	0.141	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	155.6	-179	74	0	0	0	0	111.1	F266 T267 L269 L299	F266-T301 CarbonylContact C-O 3.47Å; F266-T301 WeakPolarHBondContact CA-O 3.48Å; T267-T301 PolarHBondContact N-O 3Å; T267-T301 PolarHBondContact O-N 2.97Å; T267-T301 PolarHBondContact O-OG1 3.03Å; T267-T301 VanDerWaalsContact O-OG1 3.09Å; L269-T301 HydrophobicContact CD1-CG2 3.98Å; L269-T301 HydrophobicContact CG-CG2 4.4Å; L299-T301 HydrophobicContact CD1-CG2 4.45Å; L299-T301 HydrophobicContact CD2-CG2 4.15Å; L299-T301 HydrophobicContact CG-CG2 3.85Å
302	N	61.9	Low	64.2	Low	20 Å²	20	74.1 Å²	74.1	11%	0.107	44%	0.439	C	S	.	.	S	Bend	trans	-100.2	-16.9	-178.1	-68	1.4	0	0	0	114.1	V235 F266	V235-N302 PolarHBondContact O-ND2 2.9Å; F266-N302 WeakPolarHBondContact CD1-OD1 3.41Å; F266-N302 WeakPolarHBondContact CE1-OD1 3.37Å
303	R	53.9	Low	63.8	Low	184 Å²	184	80.4 Å²	80.4	69%	0.694	46%	0.457	S	S	*	.	S	Bend	trans	-159.7	139.9	171.9	-70.3	-165.4	176.1	173.4	-4.1	109.9	N305	R303-N305 VanDerWaalsContact C-N 3.29Å; R303-N305 PolarHBondContact O-N 2.87Å
304	G	47.8	Very low	63.6	Low	71 Å²	71	74.9 Å²	74.9	73%	0.732	43%	0.432	S	S	*	.	S	Bend	trans	-66.1	61.5	-173.3	0	0	0	0	0	117.5
305	N	39.6	Very low	63.6	Low	151 Å²	151	75.5 Å²	75.5	81%	0.807	44%	0.439	S	S	*	.			trans	-134.7	119.9	165.9	-102.1	-12.7	0	0	0	111.8	R303 A307	R303-N305 VanDerWaalsContact C-N 3.29Å; R303-N305 PolarHBondContact O-N 2.87Å; N305-A307 PolarHBondContact O-N 2.84Å
306	S	43.8	Very low	63.6	Low	114 Å²	114	69.7 Å²	69.7	80%	0.797	41%	0.414	S	S	*	.			trans	-77.2	34.4	-172.1	-44.2	0	0	0	0	115
307	A	36.5	Very low	63.7	Low	94 Å²	94	72.1 Å²	72.1	78%	0.777	43%	0.426	S	S	*	.	S	Bend	trans	-127.4	94.1	-174.8	0	0	0	0	0	112.5	N305	N305-A307 PolarHBondContact O-N 2.84Å
308	G	44.2	Very low	63.8	Low	86 Å²	86	71.1 Å²	71.1	89%	0.887	42%	0.419	S	S	*	.	S	Bend	trans	97.8	14.2	145.3	0	0	0	0	0	119.9
309	G	37.8	Very low	63.7	Low	33 Å²	33	71.1 Å²	71.1	34%	0.34	42%	0.419	S	S	.	.	S	Bend	trans	-103.3	157.3	171.8	0	0	0	0	0	113.2	Q311	G309-Q311 PolarHBondContact O-N 2.88Å
310	L	43.4	Very low	63.7	Low	135 Å²	135	70.9 Å²	70.9	71%	0.707	42%	0.419	S	S	*	.			trans	-62	116.6	175.5	-130.3	111.2	0	0	0	109.6
311	Q	56.8	Low	63.7	Low	109 Å²	109	72.4 Å²	72.4	51%	0.509	43%	0.427	S	S	.	.			trans	-99	113.7	-175.6	-79	-177.1	7	0	0	109.6	L299 G309 R313	L299-Q311 HydrophobicContact CD1-CB 3.47Å; L299-Q311 VanDerWaalsContact CD1-CB 3.47Å; L299-Q311 HydrophobicContact CD1-CG 3.8Å; L299-Q311 HydrophobicContact CD2-CG 4.26Å; G309-Q311 PolarHBondContact O-N 2.88Å; Q311-R313 PolarHBondContact O-N 2.85Å
312	H	60.3	Low	64.3	Low	75 Å²	75	71.5 Å²	71.5	35%	0.347	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	106	170.8	-72.4	-83.1	0	0	0	109.1	F240	F240-H312 HydrophobicContact CB-CB 4.07Å; F240-H312 HydrophobicContact CD1-CB 4.28Å; F240-H312 WeakPolarHBondContact CD1-O 3.46Å
313	R	74.9	Confident	65.4	Low	181 Å²	181	70.6 Å²	70.6	68%	0.683	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.1	125.4	179.3	-172.1	176.2	-172.3	-170.1	-3.5	109.4	S297 F298 Q311	S297-R313 VanDerWaalsContact OG-CG 3.23Å; S297-R313 WeakPolarHBondContact OG-CG 3.36Å; S297-R313 PolarHBondContact OG-NE 3.44Å; S297-R313 PolarHBondContact OG-NH2 3.01Å; F298-R313 CarbonylContact O-C 3.51Å; F298-R313 WeakPolarHBondContact O-CA 3.46Å; Q311-R313 PolarHBondContact O-N 2.85Å
314	V	79.3	Confident	66.7	Low	23 Å²	23	70 Å²	70	14%	0.139	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	144	172.7	-60	0	0	0	0	110.1	F240 V242 L252 S297 F298	F240-V314 HydrophobicContact CD1-CB 4.5Å; F240-V314 HydrophobicContact CD1-CG1 3.94Å; F240-V314 HydrophobicContact CD1-CG2 3.9Å; F240-V314 HydrophobicContact CE1-CG1 4.43Å; F240-V314 HydrophobicContact CE1-CG2 3.55Å; F240-V314 HydrophobicContact CZ-CG2 4.04Å; F240-V314 WeakPolarHBondContact O-CG1 3.47Å; V242-V314 HydrophobicContact CG2-CB 4.3Å; V242-V314 HydrophobicContact CG2-CG2 3.9Å; L252-V314 HydrophobicContact CD2-CG2 3.78Å; S297-V314 CarbonylContact C-O 3.5Å; S297-V314 WeakPolarHBondContact CA-O 3.47Å; S297-V314 PolarHBondContact OG-O 3Å; F298-V314 HydrophobicContact CB-CG2 4.03Å; F298-V314 PolarHBondContact N-O 3.16Å; F298-V314 PolarHBondContact O-N 3.22Å
315	S	82.7	Confident	68.5	Low	66 Å²	66	69.4 Å²	69.4	46%	0.462	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	140.3	-179.2	-48.8	0	0	0	0	109.6	Y296 S297	Y296-S315 CarbonylContact O-C 3.6Å; Y296-S315 WeakPolarHBondContact O-CA 3.29Å; Y296-S315 WeakPolarHBondContact O-CB 3.46Å; S297-S315 WeakPolarHBondContact CB-OG 3.45Å; S297-S315 PolarHBondContact OG-OG 3.26Å
316	T	84.2	Confident	70.6	Confident	21 Å²	21	64.6 Å²	64.6	13%	0.129	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	156.2	174	-172.3	0	0	0	0	109.7	V242 A245 V250 Y296 F298	V242-T316 HydrophobicContact CB-CG2 4.46Å; V242-T316 HydrophobicContact CG1-CG2 3.92Å; V242-T316 HydrophobicContact CG2-CG2 3.78Å; A245-T316 HydrophobicContact CB-CG2 4.43Å; V250-T316 HydrophobicContact CB-CG2 4.39Å; V250-T316 HydrophobicContact CG1-CG2 3.69Å; V250-T316 HydrophobicContact CG2-CG2 3.69Å; Y296-T316 PolarHBondContact N-O 2.9Å; Y296-T316 PolarHBondContact O-N 3.44Å; F298-T316 HydrophobicContact CE2-CG2 3.99Å
317	M	84.3	Confident	72.8	Confident	67 Å²	67	59.2 Å²	59.2	33%	0.33	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	139.1	166.1	-170.4	65.7	75.6	0	0	108.5	A245 T294 Q295 M456	A245-M317 WeakPolarHBondContact CB-O 3.43Å; T294-M317 WeakPolarHBondContact CA-SD 3.34Å; T294-M317 PolarHBondContact N-SD 2.75Å; T294-M317 VanDerWaalsContact O-SD 3.4Å; Q295-M317 HydrophobicContact CB-CE 3.71Å; Q295-M317 HydrophobicContact CB-SD 4.09Å; Q295-M317 PolarHBondContact N-SD 3.38Å; M317-M456 HydrophobicContact CB-CE 4.42Å
318	T	86.4	Confident	75	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.006	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-73.3	151.6	166.8	43.3	0	0	0	0	110.6	M246 V250 L290 Q291 E293 T294 Y296	M246-T318 WeakPolarHBondContact O-CB 3.27Å; V250-T318 HydrophobicContact CG2-CG2 4.03Å; L290-T318 HydrophobicContact CB-CG2 3.84Å; L290-T318 HydrophobicContact CD1-CG2 3.96Å; Q291-T318 WeakPolarHBondContact O-CB 3.39Å; Q291-T318 PolarHBondContact O-OG1 3.1Å; E293-T318 WeakPolarHBondContact CA-O 3.39Å; E293-T318 PolarHBondContact N-O 2.92Å; E293-T318 PolarHBondContact N-OG1 2.8Å; T294-T318 PolarHBondContact N-OG1 3.45Å; T294-T318 PolarHBondContact O-N 2.69Å; T294-T318 VanDerWaalsContact O-N 3.15Å; T294-T318 PolarHBondContact O-OG1 2.92Å; Y296-T318 HydrophobicContact CD2-CG2 3.92Å; Y296-T318 HydrophobicContact CE2-CG2 4.03Å
319	A	84.3	Confident	76.6	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-66.5	151	-176.6	0	0	0	0	0	112.2	M246 K247 E293 L449 M456 Y457	M246-A319 PolarHBondContact O-N 3.27Å; K247-A319 WeakPolarHBondContact CA-O 3.46Å; E293-A319 PolarHBondContact N-O 3.49Å; A319-L449 HydrophobicContact CB-CD1 4.42Å; A319-M456 HydrophobicContact CB-CB 4.14Å; A319-M456 HydrophobicContact CB-SD 4.33Å; A319-Y457 WeakPolarHBondContact CB-O 3.35Å
320	P	83.1	Confident	78.4	Confident	17 Å²	17	62.5 Å²	62.5	11%	0.11	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-69.6	152.7	173.6	27.7	-33.9	0	0	0	112.4	V322 L449 M451	P320-V322 HydrophobicContact CB-CG1 4.18Å; P320-V322 HydrophobicContact CG-CG1 3.98Å; P320-V322 PolarHBondContact O-N 3.46Å; P320-L449 HydrophobicContact CG-CD1 3.81Å; P320-M451 HydrophobicContact CG-SD 4.29Å
321	D	81.8	Confident	79.4	Confident	49 Å²	49	57.6 Å²	57.6	26%	0.262	28%	0.279	S	S	.	.			trans	-82.8	76.5	179	-167.1	23.8	0	0	0	112.3	K247 P292 R324	K247-D321 HydrophobicContact CD-CB 3.6Å; K247-D321 WeakPolarHBondContact CD-OD1 3.42Å; K247-D321 HydrophobicContact CG-CB 4.39Å; K247-D321 IonicContact NZ-OD1 3.61Å; K247-D321 PolarHBondContact NZ-OD1 2.99Å; K247-D321 IonicContact NZ-OD2 2.67Å; P292-D321 HydrophobicContact CB-CB 4.44Å; D321-R324 WeakPolarHBondContact O-CG 3.29Å; D321-R324 PolarHBondContact O-NE 3.4Å; D321-R324 VanDerWaalsContact O-NE 3.12Å
322	V	83	Confident	79.4	Confident	5 Å²	5	61.6 Å²	61.6	3%	0.03	30%	0.295	C	S	.	.			trans	-87.2	-18.7	-175.5	-62.8	0	0	0	0	114.3	P320 V346 T348 L449 A458	P320-V322 HydrophobicContact CB-CG1 4.18Å; P320-V322 HydrophobicContact CG-CG1 3.98Å; P320-V322 PolarHBondContact O-N 3.46Å; V322-V346 HydrophobicContact CB-CG1 4.47Å; V322-T348 HydrophobicContact CG1-CG2 4.49Å; V322-T348 WeakPolarHBondContact CG1-OG1 3.46Å; V322-L449 HydrophobicContact CG2-CD1 4.28Å; V322-L449 HydrophobicContact CG2-CD2 4.35Å; V322-A458 HydrophobicContact CG2-CB 3.44Å; V322-A458 VanDerWaalsContact CG2-CB 3.44Å
323	L	84.4	Confident	79.3	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.292	C	S	.	.			trans	-119.1	74.4	-177.5	-73.9	171.6	0	0	0	110.6	P344 V346 L415 V445 A447 S460 P461	L323-P344 HydrophobicContact CD2-CB 4.26Å; L323-P344 HydrophobicContact CD2-CG 3.86Å; L323-V346 HydrophobicContact CD2-CG2 3.81Å; L323-L415 HydrophobicContact CD2-CD2 4.31Å; L323-V445 HydrophobicContact CD1-CB 4.11Å; L323-V445 HydrophobicContact CD1-CG1 3.93Å; L323-V445 WeakPolarHBondContact CD1-O 3.46Å; L323-V445 HydrophobicContact CD2-CG1 4.42Å; L323-A447 HydrophobicContact CD1-CB 3.9Å; L323-S460 WeakPolarHBondContact O-CA 3.48Å; L323-P461 WeakPolarHBondContact O-CD 3.31Å
324	R	82.3	Confident	78.4	Confident	171 Å²	171	56.5 Å²	56.5	65%	0.645	29%	0.286	S	S	*	.			trans	-80.3	-26.2	-167.4	-61	-175.3	-176.6	-170.4	0.2	115	D321	D321-R324 WeakPolarHBondContact O-CG 3.29Å; D321-R324 PolarHBondContact O-NE 3.4Å; D321-R324 VanDerWaalsContact O-NE 3.12Å
325	T	84.6	Confident	77.2	Confident	59 Å²	59	60.7 Å²	60.7	36%	0.362	32%	0.316	S	S	.	.	S	Bend	trans	-100.7	150.8	-178.3	55	0	0	0	0	110.9	P344	T325-P344 VanDerWaalsContact O-CB 3.31Å; T325-P344 WeakPolarHBondContact O-CB 3.05Å; T325-P344 WeakPolarHBondContact OG1-CB 3.36Å
326	K	84.7	Confident	76.1	Confident	50 Å²	50	62.7 Å²	62.7	22%	0.217	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-77.9	154.8	172.2	68.8	-177.8	-172.4	177.8	0	110.5	Y328 P461 Y462 D464	K326-Y328 HydrophobicContact CD-CE1 4.29Å; K326-Y328 VanDerWaalsContact CE-CE1 3.41Å; K326-Y328 HydrophobicContact CG-CD1 4.39Å; K326-Y328 HydrophobicContact CG-CE1 3.87Å; K326-Y328 HydrophobicContact CG-CE2 4.18Å; K326-Y328 WeakPolarHBondContact O-CD2 3.37Å; K326-Y328 WeakPolarHBondContact O-CE2 3.42Å; K326-P461 HydrophobicContact CB-CB 4.08Å; K326-Y462 WeakPolarHBondContact CB-O 3.5Å; K326-D464 WeakPolarHBondContact CE-OD2 3.33Å; K326-D464 IonicContact NZ-OD1 3.62Å; K326-D464 PolarHBondContact NZ-OD1 2.91Å; K326-D464 IonicContact NZ-OD2 2.65Å; K326-D464 PolarHBondContact NZ-OD2 2.82Å
327	P	88.9	Confident	75.2	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.006	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-63.3	139.3	165.9	-19.3	31.7	0	0	0	111.7	E342 L343 F443 V445 P461	P327-E342 CarbonylContact C-O 3.5Å; P327-E342 VanDerWaalsContact CA-O 3.26Å; P327-E342 WeakPolarHBondContact CA-O 3.38Å; P327-L343 HydrophobicContact CB-CD2 4.47Å; P327-F443 HydrophobicContact CB-CD2 3.98Å; P327-F443 HydrophobicContact CB-CE2 3.26Å; P327-F443 HydrophobicContact CB-CZ 3.94Å; P327-F443 HydrophobicContact CG-CD2 4.11Å; P327-F443 HydrophobicContact CG-CE2 3.91Å; P327-V445 HydrophobicContact CG-CG2 4.4Å; P327-P461 WeakPolarHBondContact CD-O 3.28Å
328	Y	83.2	Confident	74.8	Confident	115 Å²	115	61.6 Å²	61.6	45%	0.451	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	151.9	-179.2	-65.5	-82.8	0	0	0	111.8	K326 V341 E342	K326-Y328 HydrophobicContact CD-CE1 4.29Å; K326-Y328 VanDerWaalsContact CE-CE1 3.41Å; K326-Y328 HydrophobicContact CG-CD1 4.39Å; K326-Y328 HydrophobicContact CG-CE1 3.87Å; K326-Y328 HydrophobicContact CG-CE2 4.18Å; K326-Y328 WeakPolarHBondContact O-CD2 3.37Å; K326-Y328 WeakPolarHBondContact O-CE2 3.42Å; Y328-V341 CarbonylContact O-C 3.39Å; Y328-V341 WeakPolarHBondContact O-CA 3.43Å; Y328-V341 WeakPolarHBondContact O-CB 3.38Å; Y328-E342 PolarHBondContact N-O 3.12Å; Y328-E342 PolarHBondContact O-N 2.64Å
329	M	78.1	Confident	74.5	Confident	78 Å²	78	61.6 Å²	61.6	38%	0.384	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	125.7	175.6	-55	169.1	92.1	0	0	109.1	V339 V341 V466	M329-V339 HydrophobicContact CE-CG1 3.52Å; M329-V339 HydrophobicContact CG-CG1 4.48Å; M329-V341 HydrophobicContact CG-CG1 4.47Å; M329-V466 HydrophobicContact CE-CB 3.72Å; M329-V466 HydrophobicContact CE-CG1 3.43Å; M329-V466 VanDerWaalsContact CE-CG1 3.43Å; M329-V466 HydrophobicContact CE-CG2 3.26Å; M329-V466 HydrophobicContact SD-CG2 3.82Å
330	I	75.6	Confident	74.5	Confident	89 Å²	89	63.7 Å²	63.7	46%	0.456	33%	0.33	S	S	.	.			trans	-106.5	-24.6	-179.1	-49.9	166.5	0	0	0	112	T340 E342 E418	I330-T340 PolarHBondContact N-O 2.89Å; I330-T340 VanDerWaalsContact N-O 3.11Å; I330-E342 HydrophobicContact CD1-CB 3.28Å; I330-E342 HydrophobicContact CD1-CG 3.52Å; I330-E342 HydrophobicContact CG1-CB 3.73Å; I330-E342 HydrophobicContact CG1-CG 4.39Å; I330-E418 HydrophobicContact CD1-CG 4.08Å
331	G	64.1	Low	74.6	Confident	32 Å²	32	62.9 Å²	62.9	33%	0.33	33%	0.325	S	S	.	.	S	Bend	trans	-118.5	150.1	-175.2	0	0	0	0	0	114.5	T340	G331-T340 PolarHBondContact N-O 3.46Å
332	K	57.3	Low	74.9	Confident	194 Å²	194	63.7 Å²	63.7	84%	0.843	33%	0.327	S	S	*	.			trans	-66.7	141.5	170.4	-72.2	-176.6	178.5	179.9	0	110.1	N334	K332-N334 PolarHBondContact O-N 3.38Å; K332-N334 VanDerWaalsContact O-N 3.1Å; K332-N334 PolarHBondContact O-OD1 3.26Å
333	T	57.4	Low	75.2	Confident	47 Å²	47	64 Å²	64	29%	0.288	33%	0.329	S	S	.	.			trans	-52.8	113.9	169.7	-45.2	0	0	0	0	109.1	V339	T333-V339 HydrophobicContact CG2-CG2 4.27Å
334	N	56.6	Low	75.4	Confident	102 Å²	102	64.3 Å²	64.3	55%	0.545	33%	0.331	S	S	.	.			trans	-72.3	159.5	172.3	-69.7	-18.5	0	0	0	108.9	K332 D336 G337	K332-N334 PolarHBondContact O-N 3.38Å; K332-N334 VanDerWaalsContact O-N 3.1Å; K332-N334 PolarHBondContact O-OD1 3.26Å; N334-D336 PolarHBondContact O-N 3.39Å; N334-G337 PolarHBondContact O-N 3.2Å; N334-G337 VanDerWaalsContact O-N 3.14Å
335	S	54.5	Low	75.3	Confident	111 Å²	111	60.2 Å²	60.2	78%	0.776	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-4.2	-178.2	49.3	0	0	0	0	115.8
336	D	60	Low	75.1	Confident	107 Å²	107	59.4 Å²	59.4	57%	0.572	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	11.1	-174.3	-53.8	-28.2	0	0	0	113.2	N334 M338	N334-D336 PolarHBondContact O-N 3.39Å; D336-M338 HydrophobicContact CB-CE 3.86Å; D336-M338 PolarHBondContact O-N 3.35Å
337	G	64.3	Low	74.4	Confident	11 Å²	11	63.9 Å²	63.9	11%	0.113	35%	0.345	C	S	.	.	S	Bend	trans	75.8	18	174.1	0	0	0	0	0	115.6	N334	N334-G337 PolarHBondContact O-N 3.2Å; N334-G337 VanDerWaalsContact O-N 3.14Å
338	M	76.9	Confident	73.6	Confident	54 Å²	54	66.3 Å²	66.3	27%	0.266	36%	0.36	S	S	.	.			trans	-99.3	144	178.1	-66.3	-178.1	-76.7	0	0	112.2	D336 T420 L421 D423	D336-M338 HydrophobicContact CB-CE 3.86Å; D336-M338 PolarHBondContact O-N 3.35Å; M338-T420 HydrophobicContact CB-CG2 4.02Å; M338-T420 HydrophobicContact SD-CG2 4.41Å; M338-L421 WeakPolarHBondContact CA-O 3.45Å; M338-D423 HydrophobicContact SD-CB 3.96Å
339	V	80.4	Confident	72.8	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.006	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	127.1	179.6	177.3	0	0	0	0	110.7	M329 T333 V341 T420 L421 L435 V466	M329-V339 HydrophobicContact CE-CG1 3.52Å; M329-V339 HydrophobicContact CG-CG1 4.48Å; T333-V339 HydrophobicContact CG2-CG2 4.27Å; V339-V341 HydrophobicContact CG1-CG1 3.92Å; V339-T420 CarbonylContact O-C 3.51Å; V339-T420 WeakPolarHBondContact O-CA 3.14Å; V339-L421 PolarHBondContact N-O 3.25Å; V339-L421 PolarHBondContact O-N 3.4Å; V339-L435 HydrophobicContact CG2-CD1 4.19Å; V339-V466 HydrophobicContact CB-CG1 4.36Å; V339-V466 HydrophobicContact CG1-CG1 4.31Å; V339-V466 HydrophobicContact CG2-CG1 3.7Å
340	T	83.2	Confident	72.5	Confident	44 Å²	44	65.9 Å²	65.9	27%	0.27	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.3	176.6	-54.3	0	0	0	0	110.7	I330 G331	I330-T340 PolarHBondContact N-O 2.89Å; I330-T340 VanDerWaalsContact N-O 3.11Å; G331-T340 PolarHBondContact N-O 3.46Å
341	V	86.4	Confident	72.7	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	140.6	-172.2	-55.5	0	0	0	0	111	Y328 M329 V339 L343 E418 F419 L421 F443	Y328-V341 CarbonylContact O-C 3.39Å; Y328-V341 WeakPolarHBondContact O-CA 3.43Å; Y328-V341 WeakPolarHBondContact O-CB 3.38Å; M329-V341 HydrophobicContact CG-CG1 4.47Å; V339-V341 HydrophobicContact CG1-CG1 3.92Å; V341-L343 HydrophobicContact CG2-CD2 3.98Å; V341-E418 CarbonylContact O-C 3.58Å; V341-E418 VanDerWaalsContact O-CA 3.3Å; V341-E418 WeakPolarHBondContact O-CA 3.24Å; V341-F419 HydrophobicContact CG2-CB 4.21Å; V341-F419 HydrophobicContact CG2-CD1 4.44Å; V341-F419 VanDerWaalsContact CG2-O 3.31Å; V341-F419 WeakPolarHBondContact CG2-O 3.22Å; V341-F419 PolarHBondContact N-O 2.92Å; V341-F419 PolarHBondContact O-N 3.37Å; V341-L421 HydrophobicContact CG1-CD1 3.79Å; V341-L421 HydrophobicContact CG1-CG 4.49Å; V341-L421 HydrophobicContact CG2-CD1 4.24Å; V341-L421 HydrophobicContact CG2-CG 4.37Å; V341-F443 HydrophobicContact CB-CE2 3.92Å; V341-F443 HydrophobicContact CB-CZ 3.83Å; V341-F443 HydrophobicContact CG1-CE1 4.12Å; V341-F443 HydrophobicContact CG1-CE2 3.91Å; V341-F443 HydrophobicContact CG1-CZ 3.38Å; V341-F443 HydrophobicContact CG2-CE2 3.77Å; V341-F443 HydrophobicContact CG2-CZ 4.15Å
342	E	87.2	Confident	73.6	Confident	66 Å²	66	66.2 Å²	66.2	31%	0.308	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	126.7	164.5	-143.4	169	174.1	0	0	108.6	P327 Y328 I330 K417	P327-E342 CarbonylContact C-O 3.5Å; P327-E342 VanDerWaalsContact CA-O 3.26Å; P327-E342 WeakPolarHBondContact CA-O 3.38Å; Y328-E342 PolarHBondContact N-O 3.12Å; Y328-E342 PolarHBondContact O-N 2.64Å; I330-E342 HydrophobicContact CD1-CB 3.28Å; I330-E342 HydrophobicContact CD1-CG 3.52Å; I330-E342 HydrophobicContact CG1-CB 3.73Å; I330-E342 HydrophobicContact CG1-CG 4.39Å; E342-K417 WeakPolarHBondContact CA-O 3.49Å; E342-K417 HydrophobicContact CG-CG 4.33Å; E342-K417 WeakPolarHBondContact CG-O 3.47Å; E342-K417 WeakPolarHBondContact OE1-CE 3.38Å; E342-K417 IonicContact OE1-NZ 3.47Å
343	L	89.9	Confident	74.9	Confident	12 Å²	12	64.5 Å²	64.5	6%	0.063	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-89.2	150.9	174.6	-60.7	-178.4	0	0	0	110.4	P327 V341 I357 L415 P416 K417 F419 V445	P327-L343 HydrophobicContact CB-CD2 4.47Å; V341-L343 HydrophobicContact CG2-CD2 3.98Å; L343-I357 HydrophobicContact CD1-CD1 3.63Å; L343-I357 HydrophobicContact CD1-CG1 4.38Å; L343-I357 HydrophobicContact CD2-CD1 4.25Å; L343-L415 HydrophobicContact CB-CD1 4.42Å; L343-L415 HydrophobicContact CB-CD2 4.29Å; L343-L415 HydrophobicContact CB-CG 4.19Å; L343-L415 HydrophobicContact CD1-CD1 3.67Å; L343-L415 HydrophobicContact CD1-CG 4.15Å; L343-P416 WeakPolarHBondContact CB-O 3.41Å; L343-P416 HydrophobicContact CD1-CG 4.07Å; L343-K417 PolarHBondContact N-O 3.45Å; L343-F419 HydrophobicContact CD1-CB 3.81Å; L343-F419 HydrophobicContact CD2-CB 4.38Å; L343-F419 HydrophobicContact CG-CB 4.1Å; L343-V445 HydrophobicContact CD2-CG2 4.05Å
344	P	87.1	Confident	76.3	Confident	7 Å²	7	62.3 Å²	62.3	5%	0.045	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-60.2	147.5	-179.9	23.3	-34.8	0	0	0	112.9	L323 T325 L415 V445	L323-P344 HydrophobicContact CD2-CB 4.26Å; L323-P344 HydrophobicContact CD2-CG 3.86Å; T325-P344 VanDerWaalsContact O-CB 3.31Å; T325-P344 WeakPolarHBondContact O-CB 3.05Å; T325-P344 WeakPolarHBondContact OG1-CB 3.36Å; P344-L415 HydrophobicContact CG-CD2 4.35Å; P344-L415 WeakPolarHBondContact O-CD2 3.21Å; P344-V445 HydrophobicContact CG-CB 4.29Å; P344-V445 HydrophobicContact CG-CG2 3.94Å
345	S	80	Confident	77.9	Confident	84 Å²	84	58.4 Å²	58.4	59%	0.587	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-78.2	139.8	169.9	55.8	0	0	0	0	110.4
346	V	81.6	Confident	79.7	Confident	42 Å²	42	54.3 Å²	54.3	26%	0.255	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-98.3	125.8	-179	-169.8	0	0	0	0	108.9	V322 L323 T348 Y355 L415	V322-V346 HydrophobicContact CB-CG1 4.47Å; L323-V346 HydrophobicContact CD2-CG2 3.81Å; V346-T348 HydrophobicContact CG1-CG2 3.89Å; V346-Y355 HydrophobicContact CB-CE1 4.39Å; V346-Y355 HydrophobicContact CG1-CE1 4.15Å; V346-Y355 WeakPolarHBondContact CG1-OH 3.34Å; V346-Y355 HydrophobicContact CG2-CD1 4.37Å; V346-Y355 HydrophobicContact CG2-CE1 3.47Å; V346-Y355 VanDerWaalsContact CG2-CE1 3.47Å; V346-L415 HydrophobicContact CG2-CB 4.35Å; V346-L415 HydrophobicContact CG2-CD2 3.78Å
347	Q	69.4	Low	81.2	Confident	145 Å²	145	49.2 Å²	49.2	68%	0.678	27%	0.266	S	S	*	.			trans	-119.8	98.4	173.7	-66.9	-173.3	-5.4	0	0	108.9
348	T	72.3	Confident	82.4	Confident	52 Å²	52	48.7 Å²	48.7	32%	0.319	26%	0.261	S	S	.	.			trans	-150.9	145.7	179.7	-170.3	0	0	0	0	112	V322 V346 E350 V352	V322-T348 HydrophobicContact CG1-CG2 4.49Å; V322-T348 WeakPolarHBondContact CG1-OG1 3.46Å; V346-T348 HydrophobicContact CG1-CG2 3.89Å; T348-E350 WeakPolarHBondContact OG1-CB 3.28Å; T348-E350 PolarHBondContact OG1-N 3.28Å; T348-V352 HydrophobicContact CG2-CG2 3.82Å
349	S	66.8	Low	82.9	Confident	115 Å²	115	46.1 Å²	46.1	80%	0.804	25%	0.248	S	C	*	.	S	Bend	trans	-86.3	-13.2	164.8	48.3	0	0	0	0	112.7
350	E	72.5	Confident	83.3	Confident	69 Å²	69	46.3 Å²	46.3	32%	0.322	25%	0.25	S	C	.	.	S	Bend	trans	-82.1	148.5	-173.6	-56.1	-54.2	127.9	0	0	112.4	T348 V352 M451	T348-E350 WeakPolarHBondContact OG1-CB 3.28Å; T348-E350 PolarHBondContact OG1-N 3.28Å; E350-V352 PolarHBondContact O-N 3.43Å; E350-M451 HydrophobicContact CG-CG 4.5Å; E350-M451 HydrophobicContact CG-SD 4.26Å
351	T	78.5	Confident	83.4	Confident	93 Å²	93	44.9 Å²	44.9	57%	0.571	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-70.3	116.6	175.2	34.9	0	0	0	0	111.5	E450	T351-E450 PolarHBondContact O-N 3.36Å; T351-E450 VanDerWaalsContact O-N 3.08Å; T351-E450 PolarHBondContact OG1-O 2.84Å
352	V	84.2	Confident	83.3	Confident	34 Å²	34	45.1 Å²	45.1	21%	0.206	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	125	175.9	-168.9	0	0	0	0	109.6	T348 E350 Y355 A447 V448 L449	T348-V352 HydrophobicContact CG2-CG2 3.82Å; E350-V352 PolarHBondContact O-N 3.43Å; V352-Y355 HydrophobicContact CB-CE2 4.38Å; V352-Y355 HydrophobicContact CG1-CD1 4.38Å; V352-Y355 HydrophobicContact CG1-CD2 4.45Å; V352-Y355 HydrophobicContact CG1-CE1 3.85Å; V352-Y355 HydrophobicContact CG1-CE2 3.93Å; V352-Y355 WeakPolarHBondContact CG2-OH 3.26Å; V352-A447 HydrophobicContact CG1-CB 4.11Å; V352-V448 CarbonylContact C-O 3.58Å; V352-V448 WeakPolarHBondContact CG1-O 3.4Å; V352-L449 HydrophobicContact CB-CD2 4.36Å; V352-L449 HydrophobicContact CG1-CD2 4.28Å; V352-L449 HydrophobicContact CG2-CD2 3.69Å
353	R	83	Confident	82.8	Confident	159 Å²	159	46.4 Å²	46.4	60%	0.6	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	-30.8	-179.4	-170.4	174	179.8	178.3	0.3	112.6	V448	R353-V448 HydrophobicContact CB-CB 4.29Å; R353-V448 HydrophobicContact CB-CG1 4.19Å; R353-V448 PolarHBondContact N-O 2.86Å
354	G	87.5	Confident	82.1	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.9	166.2	177.3	0	0	0	0	0	112.6	F412 V448	G354-F412 CarbonylContact C-O 3.59Å; G354-F412 WeakPolarHBondContact CA-O 3.39Å; G354-V448 PolarHBondContact O-N 3.35Å
355	Y	90.5	Very high	81.1	Confident	20 Å²	20	56.6 Å²	56.6	8%	0.078	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.3	178.4	-55.5	-90.2	0	0	0	110	V346 V352 H411 F412 K413 L415 V445 L446 A447	V346-Y355 HydrophobicContact CB-CE1 4.39Å; V346-Y355 HydrophobicContact CG1-CE1 4.15Å; V346-Y355 WeakPolarHBondContact CG1-OH 3.34Å; V346-Y355 HydrophobicContact CG2-CD1 4.37Å; V346-Y355 HydrophobicContact CG2-CE1 3.47Å; V346-Y355 VanDerWaalsContact CG2-CE1 3.47Å; V352-Y355 HydrophobicContact CB-CE2 4.38Å; V352-Y355 HydrophobicContact CG1-CD1 4.38Å; V352-Y355 HydrophobicContact CG1-CD2 4.45Å; V352-Y355 HydrophobicContact CG1-CE1 3.85Å; V352-Y355 HydrophobicContact CG1-CE2 3.93Å; V352-Y355 WeakPolarHBondContact CG2-OH 3.26Å; Y355-H411 CarbonylContact O-C 3.56Å; Y355-H411 WeakPolarHBondContact O-CA 3.49Å; Y355-H411 PolarHBondContact O-CD2 3.1Å; Y355-F412 PolarHBondContact N-O 3.39Å; Y355-F412 PolarHBondContact O-N 3.14Å; Y355-K413 WeakPolarHBondContact CD2-O 3.29Å; Y355-K413 WeakPolarHBondContact CE2-O 3.36Å; Y355-L415 HydrophobicContact CD1-CB 4.21Å; Y355-L415 HydrophobicContact CD1-CD1 4.35Å; Y355-L415 HydrophobicContact CD1-CD2 4.27Å; Y355-L415 HydrophobicContact CD2-CB 3.88Å; Y355-L415 HydrophobicContact CE1-CB 4.42Å; Y355-L415 HydrophobicContact CE2-CB 4.11Å; Y355-L415 HydrophobicContact CG-CB 3.93Å; Y355-L415 HydrophobicContact CG-CD1 4.03Å; Y355-L415 HydrophobicContact CG-CG 4.44Å; Y355-V445 HydrophobicContact CD1-CG1 4.18Å; Y355-L446 CarbonylContact C-O 3.56Å; Y355-L446 WeakPolarHBondContact CA-O 3.49Å; Y355-A447 HydrophobicContact CD1-CB 3.77Å; Y355-A447 HydrophobicContact CE1-CB 3.85Å
356	Y	91.2	Very high	80.3	Confident	25 Å²	25	65.3 Å²	65.3	10%	0.098	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.5	178.6	-62.1	-90.7	0	0	0	109.6	I389 I408 A410 H411 F430 V445 L446 V448	Y356-I389 HydrophobicContact CD1-CD1 4.28Å; Y356-I389 HydrophobicContact CD1-CG1 4.04Å; Y356-I389 HydrophobicContact CD2-CD1 3.93Å; Y356-I389 HydrophobicContact CD2-CG1 4.42Å; Y356-I389 HydrophobicContact CE1-CD1 4.3Å; Y356-I389 HydrophobicContact CE1-CG1 3.75Å; Y356-I389 HydrophobicContact CE1-CG2 4.48Å; Y356-I389 HydrophobicContact CE2-CD1 3.97Å; Y356-I389 HydrophobicContact CE2-CG1 4.18Å; Y356-I389 HydrophobicContact CE2-CG2 4.23Å; Y356-I389 HydrophobicContact CG-CD1 4.09Å; Y356-I389 HydrophobicContact CG-CG1 4.36Å; Y356-I408 HydrophobicContact CD1-CD1 4.16Å; Y356-I408 HydrophobicContact CD1-CG2 3.86Å; Y356-A410 WeakPolarHBondContact CA-O 3.3Å; Y356-H411 HydrophobicContact CD1-CB 3.74Å; Y356-H411 AromaticContact CD1-CD2 3.7Å; Y356-H411 AromaticContact CD1-CG 4Å; Y356-H411 HydrophobicContact CE1-CB 3.65Å; Y356-H411 AromaticContact CE1-CD2 3.25Å; Y356-H411 WeakPolarHBondContact CE1-CD2 3.43Å; Y356-H411 AromaticContact CE1-CG 3.53Å; Y356-H411 AromaticContact CE2-CD2 3.63Å; Y356-H411 AromaticContact CZ-CD2 3.21Å; Y356-H411 AromaticContact CZ-CG 3.91Å; Y356-H411 AromaticContact CZ-NE2 3.68Å; Y356-F430 HydrophobicContact CD1-CE2 4.22Å; Y356-F430 HydrophobicContact CD1-CZ 4.48Å; Y356-F430 AromaticContact CE1-CE2 3.82Å; Y356-F430 HydrophobicContact CE1-CE2 3.82Å; Y356-F430 HydrophobicContact CE1-CZ 4.1Å; Y356-V445 CarbonylContact O-C 3.22Å; Y356-V445 WeakPolarHBondContact O-CA 3.28Å; Y356-L446 PolarHBondContact N-O 2.92Å; Y356-L446 PolarHBondContact O-N 3.41Å; Y356-V448 HydrophobicContact CD2-CG2 3.95Å; Y356-V448 HydrophobicContact CE2-CG2 3.55Å
357	I	91.4	Very high	79.4	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	113.7	172.3	-57.3	-178.4	0	0	0	107.5	L343 A409 A410 F412 F419 L421	L343-I357 HydrophobicContact CD1-CD1 3.63Å; L343-I357 HydrophobicContact CD1-CG1 4.38Å; L343-I357 HydrophobicContact CD2-CD1 4.25Å; I357-A409 HydrophobicContact CG2-CB 4.45Å; I357-A409 PolarHBondContact O-N 2.82Å; I357-A410 HydrophobicContact CB-CB 4.42Å; I357-A410 HydrophobicContact CD1-CB 4.27Å; I357-A410 HydrophobicContact CG1-CB 4.46Å; I357-A410 PolarHBondContact N-O 2.88Å; I357-F412 HydrophobicContact CD1-CD2 4.21Å; I357-F412 HydrophobicContact CD1-CE2 3.74Å; I357-F412 HydrophobicContact CG1-CE2 4.46Å; I357-F419 HydrophobicContact CD1-CB 3.97Å; I357-F419 HydrophobicContact CD1-CD1 3.36Å; I357-F419 HydrophobicContact CD1-CD2 3.77Å; I357-F419 HydrophobicContact CD1-CE1 3.65Å; I357-F419 HydrophobicContact CD1-CE2 4.05Å; I357-F419 HydrophobicContact CD1-CG 3.41Å; I357-F419 VanDerWaalsContact CD1-CG 3.41Å; I357-F419 HydrophobicContact CD1-CZ 4Å; I357-F419 HydrophobicContact CG2-CD1 4.26Å; I357-F419 HydrophobicContact CG2-CE1 4.06Å; I357-L421 HydrophobicContact CG2-CD2 4.27Å
358	V	89.6	Confident	79.1	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.6	-177.2	-176.5	0	0	0	0	109.4	V360 M380 L385 F443 F444 L446	V358-V360 HydrophobicContact CG1-CG2 4.34Å; V358-M380 HydrophobicContact CG1-CE 4.39Å; V358-L385 HydrophobicContact CG1-CD1 3.71Å; V358-L385 HydrophobicContact CG1-CD2 4.3Å; V358-F443 WeakPolarHBondContact O-CA 3.24Å; V358-F443 VanDerWaalsContact O-CB 3.26Å; V358-F443 WeakPolarHBondContact O-CB 3.48Å; V358-F444 HydrophobicContact CB-CD1 4.08Å; V358-F444 HydrophobicContact CB-CE1 3.59Å; V358-F444 HydrophobicContact CB-CE2 4.06Å; V358-F444 HydrophobicContact CB-CZ 3.58Å; V358-F444 HydrophobicContact CG1-CD1 4.35Å; V358-F444 HydrophobicContact CG1-CE1 3.5Å; V358-F444 VanDerWaalsContact CG1-CE1 3.5Å; V358-F444 HydrophobicContact CG1-CZ 3.62Å; V358-F444 HydrophobicContact CG2-CE1 4.42Å; V358-F444 HydrophobicContact CG2-CE2 4.09Å; V358-F444 HydrophobicContact CG2-CZ 3.9Å; V358-F444 PolarHBondContact N-O 2.76Å; V358-F444 PolarHBondContact O-N 2.87Å; V358-L446 HydrophobicContact CG2-CB 4.24Å
359	V	88.6	Confident	79.1	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.006	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	128.4	178.9	-179	0	0	0	0	109.2	A406 Y407 A409 L421 Y441 F443	V359-A406 VanDerWaalsContact O-CA 3.27Å; V359-A406 WeakPolarHBondContact O-CA 3.3Å; V359-Y407 HydrophobicContact CB-CD1 4.3Å; V359-Y407 HydrophobicContact CB-CE1 3.74Å; V359-Y407 HydrophobicContact CB-CE2 4.25Å; V359-Y407 HydrophobicContact CG1-CE1 3.78Å; V359-Y407 HydrophobicContact CG2-CE2 4.47Å; V359-Y407 PolarHBondContact N-O 2.92Å; V359-Y407 PolarHBondContact O-N 3.29Å; V359-A409 HydrophobicContact CG2-CB 3.71Å; V359-L421 HydrophobicContact CG2-CD2 3.54Å; V359-Y441 HydrophobicContact CG1-CD1 3.75Å; V359-Y441 HydrophobicContact CG1-CG 4.37Å; V359-F443 HydrophobicContact CG2-CB 4.24Å
360	V	87.9	Confident	79.6	Confident	5 Å²	5	64.9 Å²	64.9	3%	0.03	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	112	-176.2	-174	0	0	0	0	109.6	V358 M380 A406 Y441 I442 F444 Y462	V358-V360 HydrophobicContact CG1-CG2 4.34Å; V360-M380 HydrophobicContact CG2-CE 4.36Å; V360-M380 HydrophobicContact CG2-SD 4.27Å; V360-A406 HydrophobicContact CB-CB 4.43Å; V360-A406 HydrophobicContact CG1-CB 4.39Å; V360-A406 HydrophobicContact CG2-CB 3.95Å; V360-Y441 WeakPolarHBondContact O-CA 3.28Å; V360-I442 WeakPolarHBondContact CA-O 3.33Å; V360-I442 HydrophobicContact CB-CG1 3.82Å; V360-I442 HydrophobicContact CG1-CG1 4.32Å; V360-I442 PolarHBondContact N-O 3.02Å; V360-I442 PolarHBondContact O-N 2.87Å; V360-F444 HydrophobicContact CG2-CD1 4.3Å; V360-F444 HydrophobicContact CG2-CE1 3.88Å; V360-Y462 HydrophobicContact CG2-CE1 4.25Å
361	P	86	Confident	79.7	Confident	13 Å²	13	66.4 Å²	66.4	8%	0.084	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	130.1	172.9	27.7	-31.3	0	0	0	110.9	P404 Y441	P361-P404 HydrophobicContact CB-CB 3.94Å; P361-P404 HydrophobicContact CB-CG 4.33Å; P361-P404 HydrophobicContact CG-CB 3.74Å; P361-P404 HydrophobicContact CG-CG 4.4Å; P361-P404 WeakPolarHBondContact CG-O 3.43Å; P361-Y441 HydrophobicContact CB-CD1 3.93Å; P361-Y441 HydrophobicContact CB-CE1 3.77Å
362	L	83.2	Confident	79.2	Confident	5 Å²	5	64 Å²	64	3%	0.026	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-77.7	146.1	178.8	-63	-169.3	0	0	0	112.3	F370 Q439 E440 I442 P465	L362-F370 HydrophobicContact CB-CB 4.04Å; L362-F370 HydrophobicContact CB-CD1 3.95Å; L362-F370 HydrophobicContact CB-CG 4.41Å; L362-F370 HydrophobicContact CD1-CB 4.12Å; L362-Q439 PolarHBondContact O-NE2 2.89Å; L362-E440 HydrophobicContact CB-CB 4.12Å; L362-E440 WeakPolarHBondContact CB-O 3.44Å; L362-E440 HydrophobicContact CD1-CB 3.84Å; L362-E440 HydrophobicContact CG-CB 4.18Å; L362-E440 PolarHBondContact N-O 2.8Å; L362-I442 HydrophobicContact CD1-CG2 4.1Å; L362-I442 HydrophobicContact CD2-CB 4.46Å; L362-I442 HydrophobicContact CD2-CD1 3.71Å; L362-I442 HydrophobicContact CD2-CG1 3.79Å; L362-I442 HydrophobicContact CD2-CG2 4.02Å; L362-I442 HydrophobicContact CG-CG2 4.26Å; L362-P465 HydrophobicContact CD1-CB 4.3Å; L362-P465 HydrophobicContact CD1-CG 4.43Å
363	K	78	Confident	78.3	Confident	94 Å²	94	65 Å²	65	41%	0.409	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	132.9	177.5	-68.2	-168	172.3	-159	0	111	F370 Y371 E403	K363-F370 WeakPolarHBondContact O-CA 3.47Å; K363-Y371 HydrophobicContact CB-CE1 3.91Å; K363-Y371 VanDerWaalsContact O-CD1 3.29Å; K363-Y371 WeakPolarHBondContact O-CD1 3.37Å; K363-Y371 PolarHBondContact O-N 2.97Å; K363-E403 IonicContact NZ-OE1 3.68Å; K363-E403 IonicContact NZ-OE2 3.79Å; K363-E403 PolarHBondContact NZ-OE2 3.27Å
364	K	75.3	Confident	78	Confident	138 Å²	138	61.5 Å²	61.5	60%	0.6	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	123.6	174.8	-162.9	174.7	-175.3	173.6	0	110.3	F370	K364-F370 HydrophobicContact CB-CD1 4.03Å; K364-F370 HydrophobicContact CB-CE1 3.67Å; K364-F370 HydrophobicContact CB-CZ 4.08Å; K364-F370 HydrophobicContact CD-CE1 4.35Å; K364-F370 HydrophobicContact CD-CE2 4.33Å; K364-F370 HydrophobicContact CD-CZ 3.89Å; K364-F370 HydrophobicContact CG-CD1 4.49Å; K364-F370 HydrophobicContact CG-CE1 4.11Å; K364-F370 HydrophobicContact CG-CE2 4.34Å; K364-F370 HydrophobicContact CG-CZ 4.01Å
365	Q	65.8	Low	77.5	Confident	95 Å²	95	68.7 Å²	68.7	44%	0.444	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-79.2	162.9	171.5	-73.5	-173.3	-2.2	0	0	111.8	T367 G368 K369 Y371	Q365-T367 PolarHBondContact O-N 2.76Å; Q365-G368 PolarHBondContact O-N 2.53Å; Q365-K369 PolarHBondContact N-O 3.3Å; Q365-Y371 HydrophobicContact CG-CD1 3.52Å; Q365-Y371 HydrophobicContact CG-CE1 3.47Å; Q365-Y371 VanDerWaalsContact CG-CE1 3.47Å
366	R	62.8	Low	77.1	Confident	266 Å²	266	69.1 Å²	69.1	100%	1.004	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-20.7	172.9	-71.8	-175.3	176.5	-175.6	-2.7	113.7	G368	R366-G368 VanDerWaalsContact C-N 3.33Å
367	T	63.1	Low	76.7	Confident	106 Å²	106	67.9 Å²	67.9	65%	0.65	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-1.2	177.4	54.2	0	0	0	0	114	Q365 K369	Q365-T367 PolarHBondContact O-N 2.76Å; T367-K369 VanDerWaalsContact C-N 3.31Å; T367-K369 PolarHBondContact O-N 2.88Å
368	G	62.9	Low	76.3	Confident	40 Å²	40	67.9 Å²	67.9	41%	0.412	33%	0.329	S	S	.	.	S	Bend	trans	84.2	-7.7	179.8	0	0	0	0	0	115.4	Q365 R366	Q365-G368 PolarHBondContact O-N 2.53Å; R366-G368 VanDerWaalsContact C-N 3.33Å
369	K	71.6	Confident	75.9	Confident	161 Å²	161	71.4 Å²	71.4	70%	0.7	35%	0.346	S	S	*	.			trans	-85.3	137.7	175	-70.8	-172.9	177	-176	0	111.8	Q365 T367	Q365-K369 PolarHBondContact N-O 3.3Å; T367-K369 VanDerWaalsContact C-N 3.31Å; T367-K369 PolarHBondContact O-N 2.88Å
370	F	77.6	Confident	75.5	Confident	39 Å²	39	71.6 Å²	71.6	17%	0.171	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	146	168.4	-69.1	-87.9	0	0	0	110.2	L362 K363 K364 G438 E440	L362-F370 HydrophobicContact CB-CB 4.04Å; L362-F370 HydrophobicContact CB-CD1 3.95Å; L362-F370 HydrophobicContact CB-CG 4.41Å; L362-F370 HydrophobicContact CD1-CB 4.12Å; K363-F370 WeakPolarHBondContact O-CA 3.47Å; K364-F370 HydrophobicContact CB-CD1 4.03Å; K364-F370 HydrophobicContact CB-CE1 3.67Å; K364-F370 HydrophobicContact CB-CZ 4.08Å; K364-F370 HydrophobicContact CD-CE1 4.35Å; K364-F370 HydrophobicContact CD-CE2 4.33Å; K364-F370 HydrophobicContact CD-CZ 3.89Å; K364-F370 HydrophobicContact CG-CD1 4.49Å; K364-F370 HydrophobicContact CG-CE1 4.11Å; K364-F370 HydrophobicContact CG-CE2 4.34Å; K364-F370 HydrophobicContact CG-CZ 4.01Å; F370-G438 VanDerWaalsContact CZ-O 3.3Å; F370-G438 WeakPolarHBondContact CZ-O 3.39Å; F370-E440 HydrophobicContact CB-CB 4.11Å; F370-E440 HydrophobicContact CB-CG 4.3Å; F370-E440 WeakPolarHBondContact CB-OE2 3.22Å; F370-E440 HydrophobicContact CD1-CB 3.99Å; F370-E440 HydrophobicContact CD2-CB 4.08Å; F370-E440 VanDerWaalsContact CD2-CD 3.42Å; F370-E440 HydrophobicContact CD2-CG 3.7Å; F370-E440 VanDerWaalsContact CD2-OE1 3.28Å; F370-E440 WeakPolarHBondContact CD2-OE1 3.5Å; F370-E440 HydrophobicContact CE1-CB 4.44Å; F370-E440 HydrophobicContact CE2-CG 4.11Å; F370-E440 HydrophobicContact CG-CB 3.8Å; F370-E440 HydrophobicContact CG-CG 3.92Å
371	Y	74.6	Confident	74.7	Confident	100 Å²	100	75.4 Å²	75.4	39%	0.392	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	146.5	174.4	72.3	-74.7	0	0	0	110.6	K363 Q365	K363-Y371 HydrophobicContact CB-CE1 3.91Å; K363-Y371 VanDerWaalsContact O-CD1 3.29Å; K363-Y371 WeakPolarHBondContact O-CD1 3.37Å; K363-Y371 PolarHBondContact O-N 2.97Å; Q365-Y371 HydrophobicContact CG-CD1 3.52Å; Q365-Y371 HydrophobicContact CG-CE1 3.47Å; Q365-Y371 VanDerWaalsContact CG-CE1 3.47Å
372	S	68.6	Low	74	Confident	42 Å²	42	74.9 Å²	74.9	29%	0.294	36%	0.363	S	S	.	.			trans	-77.1	131.1	166.4	-172.5	0	0	0	0	109.3	W374 I442	S372-W374 WeakPolarHBondContact CB-O 3.08Å; S372-W374 PolarHBondContact O-N 2.91Å; S372-W374 PolarHBondContact OG-N 2.8Å; S372-W374 PolarHBondContact OG-O 3.08Å; S372-I442 WeakPolarHBondContact OG-CD1 3.38Å
373	P	65.4	Low	73.4	Confident	55 Å²	55	76.1 Å²	76.1	36%	0.357	37%	0.369	S	S	.	.	S	Bend	trans	-69.2	-17.3	174	22.5	-27.6	0	0	0	113.7
374	W	77	Confident	73	Confident	87 Å²	87	76.7 Å²	76.7	33%	0.33	37%	0.373	S	S	.	.			trans	-139.6	147.5	-179.7	-54.3	-70.4	0	0	0	111.5	S372 E379 M380 Y462	S372-W374 WeakPolarHBondContact CB-O 3.08Å; S372-W374 PolarHBondContact O-N 2.91Å; S372-W374 PolarHBondContact OG-N 2.8Å; S372-W374 PolarHBondContact OG-O 3.08Å; W374-E379 HydrophobicContact CB-CB 4.1Å; W374-E379 HydrophobicContact CG-CB 4.2Å; W374-M380 HydrophobicContact CD2-CB 4.01Å; W374-M380 HydrophobicContact CD2-CG 4.24Å; W374-M380 HydrophobicContact CE3-CB 3.71Å; W374-M380 HydrophobicContact CE3-CG 3.62Å; W374-M380 HydrophobicContact CE3-SD 3.79Å; W374-M380 HydrophobicContact CH2-CB 4.46Å; W374-M380 HydrophobicContact CH2-CG 3.68Å; W374-M380 HydrophobicContact CH2-SD 4.15Å; W374-M380 HydrophobicContact CZ2-CG 4.25Å; W374-M380 HydrophobicContact CZ3-CB 3.99Å; W374-M380 HydrophobicContact CZ3-CG 3.33Å; W374-M380 HydrophobicContact CZ3-SD 3.35Å; W374-M380 WeakPolarHBondContact CZ3-SD 3.48Å; W374-Y462 WeakPolarHBondContact O-CE2 3.25Å
375	D	75.6	Confident	73.1	Confident	150 Å²	150	70.5 Å²	70.5	80%	0.802	35%	0.347	S	S	*	.	S	Bend	trans	-82.4	-23.5	178.5	-71.1	-32.5	0	0	0	112.1
376	S	82	Confident	73.4	Confident	29 Å²	29	66.7 Å²	66.7	20%	0.203	33%	0.329	C	S	.	.	S	Bend	trans	-135.5	144.5	178.7	175.9	0	0	0	0	111.6	D378 E379 Y462	S376-D378 PolarHBondContact O-N 2.7Å; S376-D378 PolarHBondContact OG-N 2.81Å; S376-E379 WeakPolarHBondContact O-CB 3.49Å; S376-E379 PolarHBondContact O-N 2.73Å; S376-Y462 VanDerWaalsContact C-CE2 3.41Å
377	P	84.3	Confident	73.8	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-60.9	-23.8	174.7	-23.2	34.7	0	0	0	114.1	E379 M380 F444 T459 S460 Y462	P377-E379 PolarHBondContact O-N 3.1Å; P377-M380 VanDerWaalsContact O-CB 3.3Å; P377-M380 WeakPolarHBondContact O-CB 3.44Å; P377-M380 PolarHBondContact O-N 3.26Å; P377-M380 VanDerWaalsContact O-N 3.14Å; P377-F444 HydrophobicContact CB-CD1 3.98Å; P377-F444 HydrophobicContact CB-CD2 3.63Å; P377-F444 HydrophobicContact CB-CE1 4Å; P377-F444 HydrophobicContact CB-CE2 3.66Å; P377-F444 HydrophobicContact CB-CG 3.8Å; P377-F444 HydrophobicContact CB-CZ 3.84Å; P377-F444 HydrophobicContact CG-CB 3.87Å; P377-F444 HydrophobicContact CG-CD1 3.91Å; P377-F444 HydrophobicContact CG-CD2 3.86Å; P377-F444 HydrophobicContact CG-CE1 4.41Å; P377-F444 HydrophobicContact CG-CE2 4.38Å; P377-F444 HydrophobicContact CG-CG 3.6Å; P377-T459 HydrophobicContact CB-CG2 4.06Å; P377-S460 WeakPolarHBondContact CG-O 3.39Å; P377-Y462 HydrophobicContact CB-CE1 4.22Å; P377-Y462 HydrophobicContact CG-CD1 3.79Å; P377-Y462 HydrophobicContact CG-CD2 4.01Å; P377-Y462 HydrophobicContact CG-CE1 3.65Å; P377-Y462 HydrophobicContact CG-CE2 3.87Å; P377-Y462 HydrophobicContact CG-CG 3.97Å
378	D	82.4	Confident	74.3	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-67.8	-17.3	176.3	-75.8	-5.2	0	0	0	113	M246 K247 S248 S249 S376 T459	M246-D378 HydrophobicContact CB-CB 4.4Å; K247-D378 WeakPolarHBondContact CB-OD2 3.24Å; S248-D378 PolarHBondContact N-OD2 2.87Å; S248-D378 WeakPolarHBondContact OG-CB 3.46Å; S248-D378 PolarHBondContact OG-OD2 2.85Å; S249-D378 WeakPolarHBondContact CB-O 3.46Å; S249-D378 PolarHBondContact OG-O 2.9Å; S376-D378 PolarHBondContact O-N 2.7Å; S376-D378 PolarHBondContact OG-N 2.81Å; D378-T459 WeakPolarHBondContact OD1-CG2 3.47Å; D378-T459 PolarHBondContact OD1-OG1 3.45Å
379	E	81	Confident	74.9	Confident	73 Å²	73	57.2 Å²	57.2	34%	0.341	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-88.6	-12.4	175.6	-61.4	178	177.1	0	0	112.4	T288 W374 S376 P377	T288-E379 HydrophobicContact CG2-CB 4.5Å; T288-E379 HydrophobicContact CG2-CG 4.19Å; W374-E379 HydrophobicContact CB-CB 4.1Å; W374-E379 HydrophobicContact CG-CB 4.2Å; S376-E379 WeakPolarHBondContact O-CB 3.49Å; S376-E379 PolarHBondContact O-N 2.73Å; P377-E379 PolarHBondContact O-N 3.1Å
380	M	79.6	Confident	74.4	Confident	5 Å²	5	54.6 Å²	54.6	3%	0.025	27%	0.271	C	S	.	.	S	Bend	trans	-73.8	137.8	177.7	-173.5	163.3	76.7	0	0	110.5	V358 V360 W374 P377 L382 L385 A406 F444	V358-M380 HydrophobicContact CG1-CE 4.39Å; V360-M380 HydrophobicContact CG2-CE 4.36Å; V360-M380 HydrophobicContact CG2-SD 4.27Å; W374-M380 HydrophobicContact CD2-CB 4.01Å; W374-M380 HydrophobicContact CD2-CG 4.24Å; W374-M380 HydrophobicContact CE3-CB 3.71Å; W374-M380 HydrophobicContact CE3-CG 3.62Å; W374-M380 HydrophobicContact CE3-SD 3.79Å; W374-M380 HydrophobicContact CH2-CB 4.46Å; W374-M380 HydrophobicContact CH2-CG 3.68Å; W374-M380 HydrophobicContact CH2-SD 4.15Å; W374-M380 HydrophobicContact CZ2-CG 4.25Å; W374-M380 HydrophobicContact CZ3-CB 3.99Å; W374-M380 HydrophobicContact CZ3-CG 3.33Å; W374-M380 HydrophobicContact CZ3-SD 3.35Å; W374-M380 WeakPolarHBondContact CZ3-SD 3.48Å; P377-M380 VanDerWaalsContact O-CB 3.3Å; P377-M380 WeakPolarHBondContact O-CB 3.44Å; P377-M380 PolarHBondContact O-N 3.26Å; P377-M380 VanDerWaalsContact O-N 3.14Å; M380-L382 HydrophobicContact CB-CD2 4.33Å; M380-L382 HydrophobicContact CE-CD2 3.38Å; M380-L382 HydrophobicContact CG-CD2 4.35Å; M380-L382 PolarHBondContact O-N 2.93Å; M380-L385 HydrophobicContact CE-CD1 3.55Å; M380-A406 HydrophobicContact CE-CB 4.49Å; M380-A406 HydrophobicContact SD-CB 4.4Å; M380-F444 HydrophobicContact CE-CE1 3.64Å; M380-F444 HydrophobicContact CE-CZ 3.55Å
381	N	71.3	Confident	73.7	Confident	86 Å²	86	61.7 Å²	61.7	46%	0.46	30%	0.296	S	S	.	.			trans	-72.3	97.1	169.6	-174.7	-4.9	0	0	0	109.7	E383	N381-E383 PolarHBondContact O-N 3.31Å; N381-E383 VanDerWaalsContact OD1-CB 3.22Å; N381-E383 WeakPolarHBondContact OD1-CB 3.47Å; N381-E383 PolarHBondContact OD1-N 3.09Å; N381-E383 VanDerWaalsContact OD1-N 3.08Å
382	L	72.9	Confident	72.2	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.01	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	2.3	-178.5	-60.1	178.7	0	0	0	113.8	M246 M380 E384 L385 L386 F444 L446	M246-L382 HydrophobicContact CE-CD1 4.08Å; M246-L382 HydrophobicContact CE-CG 4.37Å; M246-L382 HydrophobicContact CG-CD1 4.49Å; M380-L382 HydrophobicContact CB-CD2 4.33Å; M380-L382 HydrophobicContact CE-CD2 3.38Å; M380-L382 HydrophobicContact CG-CD2 4.35Å; M380-L382 PolarHBondContact O-N 2.93Å; L382-E384 PolarHBondContact O-N 3.07Å; L382-L385 HydrophobicContact CD2-CD1 3.8Å; L382-L385 CarbonylContact O-C 3.57Å; L382-L385 WeakPolarHBondContact O-CB 3.34Å; L382-L385 PolarHBondContact O-N 3.25Å; L382-L386 HydrophobicContact CB-CD1 4.27Å; L382-L386 HydrophobicContact CB-CG 4.05Å; L382-L386 WeakPolarHBondContact O-CG 3.28Å; L382-L386 PolarHBondContact O-N 3.46Å; L382-F444 HydrophobicContact CD2-CZ 4.25Å; L382-L446 HydrophobicContact CD1-CD1 4.23Å
383	E	69.5	Low	70.7	Confident	31 Å²	31	65.4 Å²	65.4	15%	0.145	33%	0.331	C	S	.	.	H	α-helix	trans	-55.9	-42.9	-171	-169.3	-171.1	165.3	0	0	114	Q284 N381 L386 K387	Q284-E383 PolarHBondContact NE2-OE2 3.13Å; N381-E383 PolarHBondContact O-N 3.31Å; N381-E383 VanDerWaalsContact OD1-CB 3.22Å; N381-E383 WeakPolarHBondContact OD1-CB 3.47Å; N381-E383 PolarHBondContact OD1-N 3.09Å; N381-E383 VanDerWaalsContact OD1-N 3.08Å; E383-L386 PolarHBondContact O-N 3.34Å; E383-K387 HydrophobicContact CG-CD 4.49Å; E383-K387 WeakPolarHBondContact O-CB 3.41Å; E383-K387 VanDerWaalsContact O-CG 3.32Å; E383-K387 WeakPolarHBondContact O-CG 3.36Å; E383-K387 PolarHBondContact O-N 2.9Å; E383-K387 WeakPolarHBondContact OE1-CE 3.48Å; E383-K387 IonicContact OE1-NZ 3.84Å; E383-K387 PolarHBondContact OE1-NZ 3.45Å
384	E	70.6	Confident	69.3	Low	106 Å²	106	74.9 Å²	74.9	50%	0.495	36%	0.36	S	S	.	.	H	α-helix	trans	-64.6	-40.9	176.9	-70.6	-169.3	164.7	0	0	111.2	L382 K387 E388 K405	L382-E384 PolarHBondContact O-N 3.07Å; E384-K387 WeakPolarHBondContact O-CB 3.1Å; E384-K387 PolarHBondContact O-N 3.4Å; E384-E388 PolarHBondContact O-N 3.02Å; E384-E388 VanDerWaalsContact O-N 3.09Å; E384-K405 VanDerWaalsContact CD-NZ 3.28Å; E384-K405 IonicContact OE1-NZ 2.65Å; E384-K405 PolarHBondContact OE1-NZ 2.63Å; E384-K405 WeakPolarHBondContact OE2-CD 3.26Å; E384-K405 IonicContact OE2-NZ 3.37Å; E384-K405 PolarHBondContact OE2-NZ 2.93Å
385	L	76.1	Confident	67.2	Low	8 Å²	8	74.4 Å²	74.4	4%	0.042	38%	0.382	C	S	.	.	H	α-helix	trans	-69.2	-39.7	177.6	-62.1	168.9	0	0	0	111.8	V358 M380 L382 K387 E388 I389 I408	V358-L385 HydrophobicContact CG1-CD1 3.71Å; V358-L385 HydrophobicContact CG1-CD2 4.3Å; M380-L385 HydrophobicContact CE-CD1 3.55Å; L382-L385 HydrophobicContact CD2-CD1 3.8Å; L382-L385 CarbonylContact O-C 3.57Å; L382-L385 WeakPolarHBondContact O-CB 3.34Å; L382-L385 PolarHBondContact O-N 3.25Å; L385-K387 VanDerWaalsContact C-N 3.31Å; L385-K387 PolarHBondContact O-N 3.34Å; L385-E388 WeakPolarHBondContact O-CB 3.23Å; L385-E388 PolarHBondContact O-N 3.46Å; L385-E388 VanDerWaalsContact O-N 3.15Å; L385-I389 WeakPolarHBondContact O-CG1 3.47Å; L385-I389 PolarHBondContact O-N 2.88Å; L385-I408 HydrophobicContact CD2-CD1 4.48Å; L385-I408 HydrophobicContact CD2-CG1 3.83Å
386	L	72.8	Confident	65.3	Low	14 Å²	14	74.9 Å²	74.9	7%	0.073	38%	0.384	C	S	.	.	H	α-helix	trans	-66.7	-32.6	175.3	-66.9	-178.6	0	0	0	111.9	A244 L382 E383 I389 N390 Y457	A244-L386 HydrophobicContact CB-CD1 4.18Å; L382-L386 HydrophobicContact CB-CD1 4.27Å; L382-L386 HydrophobicContact CB-CG 4.05Å; L382-L386 WeakPolarHBondContact O-CG 3.28Å; L382-L386 PolarHBondContact O-N 3.46Å; E383-L386 PolarHBondContact O-N 3.34Å; L386-I389 HydrophobicContact CD2-CD1 4.33Å; L386-N390 WeakPolarHBondContact O-CB 3.1Å; L386-N390 PolarHBondContact O-N 3.18Å; L386-N390 PolarHBondContact O-ND2 3.44Å; L386-Y457 HydrophobicContact CD1-CE2 4.4Å; L386-Y457 HydrophobicContact CD2-CD1 3.86Å; L386-Y457 HydrophobicContact CD2-CD2 4.48Å; L386-Y457 HydrophobicContact CD2-CE1 3.29Å; L386-Y457 HydrophobicContact CD2-CE2 4.01Å; L386-Y457 HydrophobicContact CD2-CG 4.42Å
387	K	71.6	Confident	63	Low	99 Å²	99	85.3 Å²	85.3	43%	0.43	42%	0.419	S	S	.	.	H	α-helix	trans	-67.4	-36.3	171.1	-77.6	171.9	-175.6	164.8	0	111.6	E383 E384 L385 R391	E383-K387 HydrophobicContact CG-CD 4.49Å; E383-K387 WeakPolarHBondContact O-CB 3.41Å; E383-K387 VanDerWaalsContact O-CG 3.32Å; E383-K387 WeakPolarHBondContact O-CG 3.36Å; E383-K387 PolarHBondContact O-N 2.9Å; E383-K387 WeakPolarHBondContact OE1-CE 3.48Å; E383-K387 IonicContact OE1-NZ 3.84Å; E383-K387 PolarHBondContact OE1-NZ 3.45Å; E384-K387 WeakPolarHBondContact O-CB 3.1Å; E384-K387 PolarHBondContact O-N 3.4Å; L385-K387 VanDerWaalsContact C-N 3.31Å; L385-K387 PolarHBondContact O-N 3.34Å; K387-R391 WeakPolarHBondContact O-CG 3.47Å; K387-R391 PolarHBondContact O-N 2.75Å
388	E	74	Confident	60.6	Low	86 Å²	86	94.9 Å²	94.9	40%	0.402	46%	0.461	S	S	.	.	H	α-helix	trans	-68.5	-43.7	174.6	-72.7	-177.8	174.8	0	0	111.9	E384 L385 N390 R391 I408 F430	E384-E388 PolarHBondContact O-N 3.02Å; E384-E388 VanDerWaalsContact O-N 3.09Å; L385-E388 WeakPolarHBondContact O-CB 3.23Å; L385-E388 PolarHBondContact O-N 3.46Å; L385-E388 VanDerWaalsContact O-N 3.15Å; E388-N390 VanDerWaalsContact C-N 3.29Å; E388-N390 PolarHBondContact O-N 3.25Å; E388-R391 PolarHBondContact O-N 2.89Å; E388-I408 HydrophobicContact CB-CD1 4.26Å; E388-F430 HydrophobicContact CB-CE1 4.46Å
389	I	73.5	Confident	58.3	Low	28 Å²	28	104 Å²	104	14%	0.144	50%	0.503	C	S	.	.	H	α-helix	trans	-59	-38.2	175.9	-71	170.6	0	0	0	112.2	Y356 L385 L386 I408 L446	Y356-I389 HydrophobicContact CD1-CD1 4.28Å; Y356-I389 HydrophobicContact CD1-CG1 4.04Å; Y356-I389 HydrophobicContact CD2-CD1 3.93Å; Y356-I389 HydrophobicContact CD2-CG1 4.42Å; Y356-I389 HydrophobicContact CE1-CD1 4.3Å; Y356-I389 HydrophobicContact CE1-CG1 3.75Å; Y356-I389 HydrophobicContact CE1-CG2 4.48Å; Y356-I389 HydrophobicContact CE2-CD1 3.97Å; Y356-I389 HydrophobicContact CE2-CG1 4.18Å; Y356-I389 HydrophobicContact CE2-CG2 4.23Å; Y356-I389 HydrophobicContact CG-CD1 4.09Å; Y356-I389 HydrophobicContact CG-CG1 4.36Å; L385-I389 WeakPolarHBondContact O-CG1 3.47Å; L385-I389 PolarHBondContact O-N 2.88Å; L386-I389 HydrophobicContact CD2-CD1 4.33Å; I389-I408 HydrophobicContact CD1-CD1 4.18Å; I389-I408 HydrophobicContact CG1-CD1 3.61Å; I389-L446 HydrophobicContact CD1-CD2 3.76Å
390	N	61.9	Low	56	Low	106 Å²	106	111.3 Å²	111.3	57%	0.567	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-3.2	-176.9	-72	-51.7	0	0	0	114.4	L386 E388	L386-N390 WeakPolarHBondContact O-CB 3.1Å; L386-N390 PolarHBondContact O-N 3.18Å; L386-N390 PolarHBondContact O-ND2 3.44Å; E388-N390 VanDerWaalsContact C-N 3.29Å; E388-N390 PolarHBondContact O-N 3.25Å
391	R	63.8	Low	54.1	Low	188 Å²	188	120 Å²	120	71%	0.709	57%	0.568	S	S	*	*			trans	-91.2	113.3	-179.6	-91.5	176.4	166.3	-176.8	-3.1	111.2	K387 E388	K387-R391 WeakPolarHBondContact O-CG 3.47Å; K387-R391 PolarHBondContact O-N 2.75Å; E388-R391 PolarHBondContact O-N 2.89Å
392	T	42.5	Very low	52.8	Low	144 Å²	144	120.1 Å²	120.1	88%	0.883	58%	0.581	S	S	*	*			trans	-70.4	131.9	162.3	2.2	0	0	0	0	109.4	R394	T392-R394 PolarHBondContact O-N 3.27Å
393	S	37.1	Very low	52	Low	77 Å²	77	126.7 Å²	126.7	54%	0.538	61%	0.611	S	S	.	*	S	Bend	trans	-64	118.3	-165.1	54.4	0	0	0	0	114.6	D429	S393-D429 PolarHBondContact OG-OD2 3.01Å
394	R	35.1	Very low	51.6	Low	253 Å²	253	128.6 Å²	128.6	96%	0.955	63%	0.626	S	S	*	*			trans	170.3	110.5	134.6	-94.9	171.9	-175.6	-160.6	2	111.9	T392	T392-R394 PolarHBondContact O-N 3.27Å
395	G	34.2	Very low	51.9	Low	77 Å²	77	129.1 Å²	129.1	79%	0.794	63%	0.627	S	S	*	*			trans	147.3	78.3	162	0	0	0	0	0	114.3
396	L	35.7	Very low	52.3	Low	161 Å²	161	130.1 Å²	130.1	84%	0.843	64%	0.637	S	S	*	*			trans	-116.8	109.5	164.3	-88.2	159.5	0	0	0	109.5
397	R	33.4	Very low	53	Low	247 Å²	247	130.4 Å²	130.4	93%	0.932	64%	0.637	S	S	*	*			trans	-85.2	124.3	151.5	-94.6	-178.2	175.5	173.2	-0.6	107	Q399	R397-Q399 PolarHBondContact O-N 3.34Å
398	F	33.8	Very low	53.8	Low	201 Å²	201	126 Å²	126	88%	0.882	62%	0.618	S	S	*	*			trans	-49.9	126.6	174.3	-92.2	-99	0	0	0	112.1
399	Q	34.7	Very low	54.5	Low	193 Å²	193	121.9 Å²	121.9	90%	0.902	60%	0.599	S	S	*	*			trans	-105.7	124.7	159.5	-150.8	169.6	13.2	0	0	107.7	R397	R397-Q399 PolarHBondContact O-N 3.34Å
400	R	32.8	Very low	55.3	Low	226 Å²	226	120.5 Å²	120.5	85%	0.853	59%	0.592	S	S	*	*			trans	-79	133.9	-179.3	-78.4	179	173.9	172.3	-3.3	110.7
401	H	38.8	Very low	56.7	Low	187 Å²	187	116.5 Å²	116.5	87%	0.866	57%	0.569	S	S	*	*			trans	57.4	108.2	162.4	-64.8	-31.8	0	0	0	120
402	A	44.9	Very low	57.8	Low	89 Å²	89	109.6 Å²	109.6	74%	0.736	55%	0.545	S	S	*	.			trans	-174.3	116.6	139.6	0	0	0	0	0	111.2
403	E	55.2	Low	59.8	Low	139 Å²	139	110.3 Å²	110.3	65%	0.65	54%	0.535	S	S	*	.			trans	51.1	139.7	169.6	-62.5	-167.3	164.1	0	0	120	K363 K405	K363-E403 IonicContact NZ-OE1 3.68Å; K363-E403 IonicContact NZ-OE2 3.79Å; K363-E403 PolarHBondContact NZ-OE2 3.27Å; E403-K405 PolarHBondContact O-N 2.9Å
404	P	62	Low	62.2	Low	71 Å²	71	113.3 Å²	113.3	46%	0.461	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-67.1	116.6	171.6	28.8	-32.5	0	0	0	109.8	P361	P361-P404 HydrophobicContact CB-CB 3.94Å; P361-P404 HydrophobicContact CB-CG 4.33Å; P361-P404 HydrophobicContact CG-CB 3.74Å; P361-P404 HydrophobicContact CG-CG 4.4Å; P361-P404 WeakPolarHBondContact CG-O 3.43Å
405	K	76.4	Confident	64.7	Low	117 Å²	117	102.9 Å²	102.9	51%	0.509	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-102.4	158.1	178.2	-70.7	-176.6	167.1	-163.6	0	111.4	E384 E403	E384-K405 VanDerWaalsContact CD-NZ 3.28Å; E384-K405 IonicContact OE1-NZ 2.65Å; E384-K405 PolarHBondContact OE1-NZ 2.63Å; E384-K405 WeakPolarHBondContact OE2-CD 3.26Å; E384-K405 IonicContact OE2-NZ 3.37Å; E384-K405 PolarHBondContact OE2-NZ 2.93Å; E403-K405 PolarHBondContact O-N 2.9Å
406	A	84.5	Confident	67.3	Low	29 Å²	29	101.2 Å²	101.2	24%	0.24	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-58.7	142	171.4	0	0	0	0	0	110.7	V359 V360 M380	V359-A406 VanDerWaalsContact O-CA 3.27Å; V359-A406 WeakPolarHBondContact O-CA 3.3Å; V360-A406 HydrophobicContact CB-CB 4.43Å; V360-A406 HydrophobicContact CG1-CB 4.39Å; V360-A406 HydrophobicContact CG2-CB 3.95Å; M380-A406 HydrophobicContact CE-CB 4.49Å; M380-A406 HydrophobicContact SD-CB 4.4Å
407	Y	86.8	Confident	69.7	Low	21 Å²	21	100.3 Å²	100.3	8%	0.082	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	158.4	-178.8	68	-82.3	0	0	0	111.5	V359 A409 K433	V359-Y407 HydrophobicContact CB-CD1 4.3Å; V359-Y407 HydrophobicContact CB-CE1 3.74Å; V359-Y407 HydrophobicContact CB-CE2 4.25Å; V359-Y407 HydrophobicContact CG1-CE1 3.78Å; V359-Y407 HydrophobicContact CG2-CE2 4.47Å; V359-Y407 PolarHBondContact N-O 2.92Å; V359-Y407 PolarHBondContact O-N 3.29Å; Y407-A409 HydrophobicContact CE2-CB 4.02Å; Y407-K433 HydrophobicContact CD2-CD 4.25Å; Y407-K433 HydrophobicContact CE2-CB 4.02Å; Y407-K433 HydrophobicContact CE2-CD 4.19Å; Y407-K433 HydrophobicContact CE2-CG 4.11Å; Y407-K433 HydrophobicContact CG-CD 4.48Å; Y407-K433 PolarHBondContact OH-O 2.91Å
408	I	88.9	Confident	72.3	Confident	5 Å²	5	93.8 Å²	93.8	3%	0.026	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	119.2	173.8	-57.6	176.4	0	0	0	108.1	Y356 L385 E388 I389 F430	Y356-I408 HydrophobicContact CD1-CD1 4.16Å; Y356-I408 HydrophobicContact CD1-CG2 3.86Å; L385-I408 HydrophobicContact CD2-CD1 4.48Å; L385-I408 HydrophobicContact CD2-CG1 3.83Å; E388-I408 HydrophobicContact CB-CD1 4.26Å; I389-I408 HydrophobicContact CD1-CD1 4.18Å; I389-I408 HydrophobicContact CG1-CD1 3.61Å; I408-F430 HydrophobicContact CB-CD1 3.49Å; I408-F430 VanDerWaalsContact CB-CD1 3.49Å; I408-F430 HydrophobicContact CB-CE1 3.81Å; I408-F430 HydrophobicContact CB-CG 4.02Å; I408-F430 HydrophobicContact CD1-CD1 4.28Å; I408-F430 HydrophobicContact CD1-CE1 3.65Å; I408-F430 HydrophobicContact CD1-CZ 4Å; I408-F430 HydrophobicContact CG1-CD1 4.42Å; I408-F430 HydrophobicContact CG1-CE1 4.27Å; I408-F430 HydrophobicContact CG2-CB 4.03Å; I408-F430 HydrophobicContact CG2-CD1 3.49Å; I408-F430 VanDerWaalsContact CG2-CD1 3.49Å; I408-F430 HydrophobicContact CG2-CD2 3.89Å; I408-F430 HydrophobicContact CG2-CE1 3.85Å; I408-F430 HydrophobicContact CG2-CE2 4.24Å; I408-F430 HydrophobicContact CG2-CG 3.5Å; I408-F430 VanDerWaalsContact CG2-CG 3.5Å; I408-F430 HydrophobicContact CG2-CZ 4.21Å
409	A	88.3	Confident	75	Confident	0 Å²	0	84.6 Å²	84.6	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-29.5	179.1	0	0	0	0	0	112.7	I357 V359 Y407 N432	I357-A409 HydrophobicContact CG2-CB 4.45Å; I357-A409 PolarHBondContact O-N 2.82Å; V359-A409 HydrophobicContact CG2-CB 3.71Å; Y407-A409 HydrophobicContact CE2-CB 4.02Å; A409-N432 HydrophobicContact CB-CB 4.37Å; A409-N432 WeakPolarHBondContact O-CB 3.18Å; A409-N432 PolarHBondContact O-N 3.43Å
410	A	89.6	Confident	77.5	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	154.2	178.3	0	0	0	0	0	112.6	Y356 I357 F412 F419 Y427	Y356-A410 WeakPolarHBondContact CA-O 3.3Å; I357-A410 HydrophobicContact CB-CB 4.42Å; I357-A410 HydrophobicContact CD1-CB 4.27Å; I357-A410 HydrophobicContact CG1-CB 4.46Å; I357-A410 PolarHBondContact N-O 2.88Å; A410-F412 HydrophobicContact CB-CD2 4.18Å; A410-F412 HydrophobicContact CB-CE2 3.48Å; A410-F412 VanDerWaalsContact CB-CE2 3.48Å; A410-F412 HydrophobicContact CB-CZ 3.99Å; A410-F419 HydrophobicContact CB-CE2 3.75Å; A410-F419 HydrophobicContact CB-CZ 3.69Å; A410-Y427 VanDerWaalsContact CB-CB 3.44Å; A410-Y427 HydrophobicContact CB-CD1 4.47Å; A410-Y427 HydrophobicContact CB-CD2 4.01Å; A410-Y427 HydrophobicContact CB-CG 3.75Å
411	H	91.6	Very high	80.1	Confident	21 Å²	21	66.9 Å²	66.9	10%	0.097	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	137	166.5	170.4	-112.6	0	0	0	110.9	Y355 Y356 Y427 D428 F430	Y355-H411 CarbonylContact O-C 3.56Å; Y355-H411 WeakPolarHBondContact O-CA 3.49Å; Y355-H411 PolarHBondContact O-CD2 3.1Å; Y356-H411 HydrophobicContact CD1-CB 3.74Å; Y356-H411 AromaticContact CD1-CD2 3.7Å; Y356-H411 AromaticContact CD1-CG 4Å; Y356-H411 HydrophobicContact CE1-CB 3.65Å; Y356-H411 AromaticContact CE1-CD2 3.25Å; Y356-H411 WeakPolarHBondContact CE1-CD2 3.43Å; Y356-H411 AromaticContact CE1-CG 3.53Å; Y356-H411 AromaticContact CE2-CD2 3.63Å; Y356-H411 AromaticContact CZ-CD2 3.21Å; Y356-H411 AromaticContact CZ-CG 3.91Å; Y356-H411 AromaticContact CZ-NE2 3.68Å; H411-Y427 PolarHBondContact N-O 3.26Å; H411-D428 HydrophobicContact CB-CB 4.17Å; H411-D428 IonicContact CE1-OD2 2.66Å; H411-D428 PolarHBondContact CE1-OD2 3.16Å; H411-D428 IonicContact CG-OD2 2.69Å; H411-D428 IonicContact ND1-OD2 3.82Å; H411-D428 PolarHBondContact ND1-OD2 3.46Å; H411-F430 HydrophobicContact CB-CD2 3.75Å; H411-F430 HydrophobicContact CB-CE2 3.85Å
412	F	88.6	Confident	82.2	Confident	43 Å²	43	58 Å²	58	19%	0.189	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	141.2	179.4	-64.6	-75.7	0	0	0	111.1	G354 Y355 I357 A410 D414 P416 F419 Y427	G354-F412 CarbonylContact C-O 3.59Å; G354-F412 WeakPolarHBondContact CA-O 3.39Å; Y355-F412 PolarHBondContact N-O 3.39Å; Y355-F412 PolarHBondContact O-N 3.14Å; I357-F412 HydrophobicContact CD1-CD2 4.21Å; I357-F412 HydrophobicContact CD1-CE2 3.74Å; I357-F412 HydrophobicContact CG1-CE2 4.46Å; A410-F412 HydrophobicContact CB-CD2 4.18Å; A410-F412 HydrophobicContact CB-CE2 3.48Å; A410-F412 VanDerWaalsContact CB-CE2 3.48Å; A410-F412 HydrophobicContact CB-CZ 3.99Å; F412-D414 WeakPolarHBondContact CB-O 3.44Å; F412-P416 HydrophobicContact CD1-CG 4.43Å; F412-P416 HydrophobicContact CD2-CG 4.24Å; F412-P416 HydrophobicContact CE1-CG 4.36Å; F412-P416 HydrophobicContact CE2-CG 4.15Å; F412-P416 HydrophobicContact CG-CG 4.39Å; F412-P416 HydrophobicContact CZ-CG 4.22Å; F412-F419 AromaticContact CE2-CD2 3.87Å; F412-F419 HydrophobicContact CE2-CD2 3.87Å; F412-F419 AromaticContact CE2-CE2 3.94Å; F412-F419 HydrophobicContact CE2-CE2 3.94Å; F412-F419 AromaticContact CZ-CD2 3.87Å; F412-F419 HydrophobicContact CZ-CD2 3.87Å; F412-F419 AromaticContact CZ-CE2 3.89Å; F412-F419 HydrophobicContact CZ-CE2 3.89Å; F412-Y427 AromaticContact CE1-CD1 3.94Å; F412-Y427 HydrophobicContact CE1-CD1 3.94Å; F412-Y427 HydrophobicContact CE1-CE1 4.47Å; F412-Y427 AromaticContact CZ-CD1 3.64Å; F412-Y427 HydrophobicContact CZ-CD1 3.64Å; F412-Y427 HydrophobicContact CZ-CE1 4.07Å; F412-Y427 HydrophobicContact CZ-CG 4.31Å
413	K	84.4	Confident	84.1	Confident	159 Å²	159	54.9 Å²	54.9	69%	0.691	27%	0.273	S	S	*	.	S	Bend	trans	-72.9	-43.6	170.4	-67.4	-174.3	179.8	-178.7	0	111.9	Y355	Y355-K413 WeakPolarHBondContact CD2-O 3.29Å; Y355-K413 WeakPolarHBondContact CE2-O 3.36Å
414	D	86.2	Confident	85.3	Confident	140 Å²	140	50 Å²	50	75%	0.749	26%	0.26	S	S	*	.	S	Bend	trans	-116	128.2	173.3	-61.6	-59	0	0	0	109.1	F412 P416	F412-D414 WeakPolarHBondContact CB-O 3.44Å; D414-P416 WeakPolarHBondContact O-CD 3.25Å
415	L	87.4	Confident	86.5	Confident	34 Å²	34	52.6 Å²	52.6	18%	0.178	26%	0.264	C	S	.	.			trans	-71.1	117	-175.5	-168.1	67.4	0	0	0	110.7	L323 L343 P344 V346 Y355 V445	L323-L415 HydrophobicContact CD2-CD2 4.31Å; L343-L415 HydrophobicContact CB-CD1 4.42Å; L343-L415 HydrophobicContact CB-CD2 4.29Å; L343-L415 HydrophobicContact CB-CG 4.19Å; L343-L415 HydrophobicContact CD1-CD1 3.67Å; L343-L415 HydrophobicContact CD1-CG 4.15Å; P344-L415 HydrophobicContact CG-CD2 4.35Å; P344-L415 WeakPolarHBondContact O-CD2 3.21Å; V346-L415 HydrophobicContact CG2-CB 4.35Å; V346-L415 HydrophobicContact CG2-CD2 3.78Å; Y355-L415 HydrophobicContact CD1-CB 4.21Å; Y355-L415 HydrophobicContact CD1-CD1 4.35Å; Y355-L415 HydrophobicContact CD1-CD2 4.27Å; Y355-L415 HydrophobicContact CD2-CB 3.88Å; Y355-L415 HydrophobicContact CE1-CB 4.42Å; Y355-L415 HydrophobicContact CE2-CB 4.11Å; Y355-L415 HydrophobicContact CG-CB 3.93Å; Y355-L415 HydrophobicContact CG-CD1 4.03Å; Y355-L415 HydrophobicContact CG-CG 4.44Å; L415-V445 HydrophobicContact CD1-CG1 3.84Å; L415-V445 HydrophobicContact CD1-CG2 4.4Å; L415-V445 HydrophobicContact CD2-CG1 4.11Å
416	P	89.3	Confident	86.9	Confident	43 Å²	43	53 Å²	53	28%	0.279	27%	0.27	S	S	.	.			trans	-69.9	155.3	177.9	29.1	-34	0	0	0	111.1	L343 F412 D414	L343-P416 WeakPolarHBondContact CB-O 3.41Å; L343-P416 HydrophobicContact CD1-CG 4.07Å; F412-P416 HydrophobicContact CD1-CG 4.43Å; F412-P416 HydrophobicContact CD2-CG 4.24Å; F412-P416 HydrophobicContact CE1-CG 4.36Å; F412-P416 HydrophobicContact CE2-CG 4.15Å; F412-P416 HydrophobicContact CG-CG 4.39Å; F412-P416 HydrophobicContact CZ-CG 4.22Å; D414-P416 WeakPolarHBondContact O-CD 3.25Å
417	K	86.1	Confident	86.9	Confident	141 Å²	141	53.9 Å²	53.9	61%	0.613	27%	0.268	S	S	*	.	S	Bend	trans	-66.9	-36.7	177.7	-169.9	-177.7	176.7	-167.1	0	112.4	E342 L343	E342-K417 WeakPolarHBondContact CA-O 3.49Å; E342-K417 HydrophobicContact CG-CG 4.33Å; E342-K417 WeakPolarHBondContact CG-O 3.47Å; E342-K417 WeakPolarHBondContact OE1-CE 3.38Å; E342-K417 IonicContact OE1-NZ 3.47Å; L343-K417 PolarHBondContact N-O 3.45Å
418	E	88.2	Confident	86.6	Confident	111 Å²	111	57.7 Å²	57.7	52%	0.519	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142.9	-178.1	-65.5	177.6	-168.2	0	0	110.6	I330 V341	I330-E418 HydrophobicContact CD1-CG 4.08Å; V341-E418 CarbonylContact O-C 3.58Å; V341-E418 VanDerWaalsContact O-CA 3.3Å; V341-E418 WeakPolarHBondContact O-CA 3.24Å
419	F	89.4	Confident	86.3	Confident	8 Å²	8	63 Å²	63	4%	0.035	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	145.3	175.4	179	-107.5	0	0	0	110.5	V341 L343 I357 A410 F412 L421 Y427	V341-F419 HydrophobicContact CG2-CB 4.21Å; V341-F419 HydrophobicContact CG2-CD1 4.44Å; V341-F419 VanDerWaalsContact CG2-O 3.31Å; V341-F419 WeakPolarHBondContact CG2-O 3.22Å; V341-F419 PolarHBondContact N-O 2.92Å; V341-F419 PolarHBondContact O-N 3.37Å; L343-F419 HydrophobicContact CD1-CB 3.81Å; L343-F419 HydrophobicContact CD2-CB 4.38Å; L343-F419 HydrophobicContact CG-CB 4.1Å; I357-F419 HydrophobicContact CD1-CB 3.97Å; I357-F419 HydrophobicContact CD1-CD1 3.36Å; I357-F419 HydrophobicContact CD1-CD2 3.77Å; I357-F419 HydrophobicContact CD1-CE1 3.65Å; I357-F419 HydrophobicContact CD1-CE2 4.05Å; I357-F419 HydrophobicContact CD1-CG 3.41Å; I357-F419 VanDerWaalsContact CD1-CG 3.41Å; I357-F419 HydrophobicContact CD1-CZ 4Å; I357-F419 HydrophobicContact CG2-CD1 4.26Å; I357-F419 HydrophobicContact CG2-CE1 4.06Å; A410-F419 HydrophobicContact CB-CE2 3.75Å; A410-F419 HydrophobicContact CB-CZ 3.69Å; F412-F419 AromaticContact CE2-CD2 3.87Å; F412-F419 HydrophobicContact CE2-CD2 3.87Å; F412-F419 AromaticContact CE2-CE2 3.94Å; F412-F419 HydrophobicContact CE2-CE2 3.94Å; F412-F419 AromaticContact CZ-CD2 3.87Å; F412-F419 HydrophobicContact CZ-CD2 3.87Å; F412-F419 AromaticContact CZ-CE2 3.89Å; F412-F419 HydrophobicContact CZ-CE2 3.89Å; F419-L421 HydrophobicContact CD1-CD2 4.09Å; F419-L421 HydrophobicContact CD1-CG 4.14Å; F419-L421 HydrophobicContact CE1-CD2 3.7Å; F419-L421 HydrophobicContact CE1-CG 4.15Å; F419-Y427 HydrophobicContact CE2-CD1 4.36Å; F419-Y427 HydrophobicContact CE2-CD2 4.06Å; F419-Y427 HydrophobicContact CE2-CE1 4.08Å; F419-Y427 AromaticContact CE2-CE2 3.76Å; F419-Y427 HydrophobicContact CE2-CE2 3.76Å; F419-Y427 HydrophobicContact CE2-CG 4.36Å; F419-Y427 AromaticContact CE2-CZ 3.78Å; F419-Y427 HydrophobicContact CZ-CD2 4.29Å; F419-Y427 HydrophobicContact CZ-CE2 4.09Å
420	T	88.3	Confident	86.1	Confident	43 Å²	43	64.7 Å²	64.7	26%	0.264	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	110.1	177.7	-54.6	0	0	0	0	109.6	M338 V339 D423 N432	M338-T420 HydrophobicContact CB-CG2 4.02Å; M338-T420 HydrophobicContact SD-CG2 4.41Å; V339-T420 CarbonylContact O-C 3.51Å; V339-T420 WeakPolarHBondContact O-CA 3.14Å; T420-D423 HydrophobicContact CG2-CB 4.27Å; T420-N432 PolarHBondContact O-ND2 2.76Å
421	L	86.7	Confident	85.9	Confident	3 Å²	3	69.8 Å²	69.8	2%	0.016	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	139.9	173.5	-72.4	165.8	0	0	0	111	M338 V339 V341 I357 V359 F419 F443	M338-L421 WeakPolarHBondContact CA-O 3.45Å; V339-L421 PolarHBondContact N-O 3.25Å; V339-L421 PolarHBondContact O-N 3.4Å; V341-L421 HydrophobicContact CG1-CD1 3.79Å; V341-L421 HydrophobicContact CG1-CG 4.49Å; V341-L421 HydrophobicContact CG2-CD1 4.24Å; V341-L421 HydrophobicContact CG2-CG 4.37Å; I357-L421 HydrophobicContact CG2-CD2 4.27Å; V359-L421 HydrophobicContact CG2-CD2 3.54Å; F419-L421 HydrophobicContact CD1-CD2 4.09Å; F419-L421 HydrophobicContact CD1-CG 4.14Å; F419-L421 HydrophobicContact CE1-CD2 3.7Å; F419-L421 HydrophobicContact CE1-CG 4.15Å; L421-F443 HydrophobicContact CD1-CD1 3.47Å; L421-F443 VanDerWaalsContact CD1-CD1 3.47Å; L421-F443 HydrophobicContact CD1-CD2 3.87Å; L421-F443 HydrophobicContact CD1-CE1 3.52Å; L421-F443 HydrophobicContact CD1-CE2 3.86Å; L421-F443 HydrophobicContact CD1-CG 3.69Å; L421-F443 HydrophobicContact CD1-CZ 3.75Å
422	G	84.1	Confident	85.8	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	15.7	173.9	0	0	0	0	0	115.6	G424 N432 K433 Q434	G422-G424 VanDerWaalsContact C-N 3.28Å; G422-G424 PolarHBondContact O-N 3.38Å; G422-N432 PolarHBondContact N-ND2 3.36Å; G422-N432 PolarHBondContact N-OD1 2.62Å; G422-K433 WeakPolarHBondContact CA-O 3.34Å; G422-Q434 WeakPolarHBondContact O-CG 3.07Å
423	D	84	Confident	85.7	Confident	24 Å²	24	71.4 Å²	71.4	13%	0.128	36%	0.356	C	S	.	.			trans	-80.6	-2.7	-175.2	77.8	-12.8	0	0	0	114.8	M338 T420 K425 Y427 N432	M338-D423 HydrophobicContact SD-CB 3.96Å; T420-D423 HydrophobicContact CG2-CB 4.27Å; D423-K425 PolarHBondContact O-N 2.88Å; D423-K425 WeakPolarHBondContact OD1-CB 3.49Å; D423-K425 PolarHBondContact OD1-N 2.92Å; D423-K425 VanDerWaalsContact OD2-CD 3.28Å; D423-K425 WeakPolarHBondContact OD2-CD 3.33Å; D423-K425 IonicContact OD2-NZ 3.6Å; D423-Y427 PolarHBondContact OD2-OH 3.16Å; D423-N432 PolarHBondContact N-ND2 2.93Å; D423-N432 WeakPolarHBondContact OD1-CB 3.41Å; D423-N432 PolarHBondContact OD1-ND2 2.69Å
424	G	81.1	Confident	85.7	Confident	38 Å²	38	70.7 Å²	70.7	39%	0.392	36%	0.355	S	S	.	.			trans	70.1	7.4	178.5	0	0	0	0	0	114.7	G422 N432	G422-G424 VanDerWaalsContact C-N 3.28Å; G422-G424 PolarHBondContact O-N 3.38Å; G424-N432 WeakPolarHBondContact CA-O 3.34Å; G424-N432 PolarHBondContact N-O 2.89Å
425	K	87.3	Confident	85.5	Confident	125 Å²	125	64.7 Å²	64.7	54%	0.543	32%	0.323	S	S	.	.			trans	-86.3	160.2	-179.9	-63.3	-176.3	-164.6	153.5	0	111.8	D423 Y427 N432	D423-K425 PolarHBondContact O-N 2.88Å; D423-K425 WeakPolarHBondContact OD1-CB 3.49Å; D423-K425 PolarHBondContact OD1-N 2.92Å; D423-K425 VanDerWaalsContact OD2-CD 3.28Å; D423-K425 WeakPolarHBondContact OD2-CD 3.33Å; D423-K425 IonicContact OD2-NZ 3.6Å; K425-Y427 HydrophobicContact CB-CD2 4.38Å; K425-Y427 HydrophobicContact CB-CE2 3.72Å; K425-N432 WeakPolarHBondContact O-CB 3.29Å; K425-N432 PolarHBondContact O-N 2.89Å
426	I	84.4	Confident	85.1	Confident	124 Å²	124	68.7 Å²	68.7	64%	0.636	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.9	174.4	-59.7	174.8	0	0	0	109.1	F430	I426-F430 CarbonylContact C-O 3.5Å; I426-F430 VanDerWaalsContact CA-O 3.24Å; I426-F430 WeakPolarHBondContact CA-O 3.49Å
427	Y	84.9	Confident	84.2	Confident	49 Å²	49	71.1 Å²	71.1	19%	0.192	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	102.7	178.3	-65.9	-88.1	0	0	0	109.3	A410 H411 F412 F419 D423 K425 F430 N432	A410-Y427 VanDerWaalsContact CB-CB 3.44Å; A410-Y427 HydrophobicContact CB-CD1 4.47Å; A410-Y427 HydrophobicContact CB-CD2 4.01Å; A410-Y427 HydrophobicContact CB-CG 3.75Å; H411-Y427 PolarHBondContact N-O 3.26Å; F412-Y427 AromaticContact CE1-CD1 3.94Å; F412-Y427 HydrophobicContact CE1-CD1 3.94Å; F412-Y427 HydrophobicContact CE1-CE1 4.47Å; F412-Y427 AromaticContact CZ-CD1 3.64Å; F412-Y427 HydrophobicContact CZ-CD1 3.64Å; F412-Y427 HydrophobicContact CZ-CE1 4.07Å; F412-Y427 HydrophobicContact CZ-CG 4.31Å; F419-Y427 HydrophobicContact CE2-CD1 4.36Å; F419-Y427 HydrophobicContact CE2-CD2 4.06Å; F419-Y427 HydrophobicContact CE2-CE1 4.08Å; F419-Y427 AromaticContact CE2-CE2 3.76Å; F419-Y427 HydrophobicContact CE2-CE2 3.76Å; F419-Y427 HydrophobicContact CE2-CG 4.36Å; F419-Y427 AromaticContact CE2-CZ 3.78Å; F419-Y427 HydrophobicContact CZ-CD2 4.29Å; F419-Y427 HydrophobicContact CZ-CE2 4.09Å; D423-Y427 PolarHBondContact OD2-OH 3.16Å; K425-Y427 HydrophobicContact CB-CD2 4.38Å; K425-Y427 HydrophobicContact CB-CE2 3.72Å; Y427-F430 PolarHBondContact N-O 3.17Å; Y427-F430 PolarHBondContact O-N 3.44Å; Y427-N432 HydrophobicContact CD2-CB 4.09Å; Y427-N432 HydrophobicContact CE2-CB 4.02Å
428	D	80.1	Confident	83.6	Confident	100 Å²	100	65.9 Å²	65.9	54%	0.535	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	61.1	-178.6	-155.5	41.3	0	0	0	113	H411 F430	H411-D428 HydrophobicContact CB-CB 4.17Å; H411-D428 IonicContact CE1-OD2 2.66Å; H411-D428 PolarHBondContact CE1-OD2 3.16Å; H411-D428 IonicContact CG-OD2 2.69Å; H411-D428 IonicContact ND1-OD2 3.82Å; H411-D428 PolarHBondContact ND1-OD2 3.46Å; D428-F430 VanDerWaalsContact C-N 3.28Å; D428-F430 WeakPolarHBondContact O-CD2 3.11Å; D428-F430 PolarHBondContact O-N 3.14Å
429	D	81.8	Confident	83.2	Confident	117 Å²	117	61.9 Å²	61.9	63%	0.626	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	-2.4	-177	-67.1	-17.6	0	0	0	117.2	S393	S393-D429 PolarHBondContact OG-OD2 3.01Å
430	F	85.2	Confident	83	Confident	35 Å²	35	63.8 Å²	63.8	15%	0.154	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	136	177	-62.1	-77.7	0	0	0	113.1	Y356 E388 I408 H411 I426 Y427 D428	Y356-F430 HydrophobicContact CD1-CE2 4.22Å; Y356-F430 HydrophobicContact CD1-CZ 4.48Å; Y356-F430 AromaticContact CE1-CE2 3.82Å; Y356-F430 HydrophobicContact CE1-CE2 3.82Å; Y356-F430 HydrophobicContact CE1-CZ 4.1Å; E388-F430 HydrophobicContact CB-CE1 4.46Å; I408-F430 HydrophobicContact CB-CD1 3.49Å; I408-F430 VanDerWaalsContact CB-CD1 3.49Å; I408-F430 HydrophobicContact CB-CE1 3.81Å; I408-F430 HydrophobicContact CB-CG 4.02Å; I408-F430 HydrophobicContact CD1-CD1 4.28Å; I408-F430 HydrophobicContact CD1-CE1 3.65Å; I408-F430 HydrophobicContact CD1-CZ 4Å; I408-F430 HydrophobicContact CG1-CD1 4.42Å; I408-F430 HydrophobicContact CG1-CE1 4.27Å; I408-F430 HydrophobicContact CG2-CB 4.03Å; I408-F430 HydrophobicContact CG2-CD1 3.49Å; I408-F430 VanDerWaalsContact CG2-CD1 3.49Å; I408-F430 HydrophobicContact CG2-CD2 3.89Å; I408-F430 HydrophobicContact CG2-CE1 3.85Å; I408-F430 HydrophobicContact CG2-CE2 4.24Å; I408-F430 HydrophobicContact CG2-CG 3.5Å; I408-F430 VanDerWaalsContact CG2-CG 3.5Å; I408-F430 HydrophobicContact CG2-CZ 4.21Å; H411-F430 HydrophobicContact CB-CD2 3.75Å; H411-F430 HydrophobicContact CB-CE2 3.85Å; I426-F430 CarbonylContact C-O 3.5Å; I426-F430 VanDerWaalsContact CA-O 3.24Å; I426-F430 WeakPolarHBondContact CA-O 3.49Å; Y427-F430 PolarHBondContact N-O 3.17Å; Y427-F430 PolarHBondContact O-N 3.44Å; D428-F430 VanDerWaalsContact C-N 3.28Å; D428-F430 WeakPolarHBondContact O-CD2 3.11Å; D428-F430 PolarHBondContact O-N 3.14Å
431	E	85.8	Confident	82.9	Confident	107 Å²	107	62.3 Å²	62.3	50%	0.5	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	120.2	-179.5	-174.8	-173.5	-170.8	0	0	111.7	K433	E431-K433 VanDerWaalsContact C-N 3.33Å; E431-K433 HydrophobicContact CG-CG 4.18Å; E431-K433 PolarHBondContact O-N 3.05Å
432	N	89.2	Confident	83	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.318	C	S	.	.			trans	-80	77.4	172.7	-174.2	20.2	0	0	0	111.1	A409 T420 G422 D423 G424 K425 Y427	A409-N432 HydrophobicContact CB-CB 4.37Å; A409-N432 WeakPolarHBondContact O-CB 3.18Å; A409-N432 PolarHBondContact O-N 3.43Å; T420-N432 PolarHBondContact O-ND2 2.76Å; G422-N432 PolarHBondContact N-ND2 3.36Å; G422-N432 PolarHBondContact N-OD1 2.62Å; D423-N432 PolarHBondContact N-ND2 2.93Å; D423-N432 WeakPolarHBondContact OD1-CB 3.41Å; D423-N432 PolarHBondContact OD1-ND2 2.69Å; G424-N432 WeakPolarHBondContact CA-O 3.34Å; G424-N432 PolarHBondContact N-O 2.89Å; K425-N432 WeakPolarHBondContact O-CB 3.29Å; K425-N432 PolarHBondContact O-N 2.89Å; Y427-N432 HydrophobicContact CD2-CB 4.09Å; Y427-N432 HydrophobicContact CE2-CB 4.02Å
433	K	85.9	Confident	83.3	Confident	99 Å²	99	62.5 Å²	62.5	43%	0.43	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-56.2	140.3	-175.2	-61.4	173.3	-174.6	169	0	112.7	Y407 G422 E431	Y407-K433 HydrophobicContact CD2-CD 4.25Å; Y407-K433 HydrophobicContact CE2-CB 4.02Å; Y407-K433 HydrophobicContact CE2-CD 4.19Å; Y407-K433 HydrophobicContact CE2-CG 4.11Å; Y407-K433 HydrophobicContact CG-CD 4.48Å; Y407-K433 PolarHBondContact OH-O 2.91Å; G422-K433 WeakPolarHBondContact CA-O 3.34Å; E431-K433 VanDerWaalsContact C-N 3.33Å; E431-K433 HydrophobicContact CG-CG 4.18Å; E431-K433 PolarHBondContact O-N 3.05Å
434	Q	83.4	Confident	83.7	Confident	143 Å²	143	61.3 Å²	61.3	67%	0.668	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-57.5	138.6	174	-74.1	-176.5	-6.2	0	0	111.7	G422	G422-Q434 WeakPolarHBondContact O-CG 3.07Å
435	L	83.4	Confident	84.2	Confident	14 Å²	14	59.5 Å²	59.5	7%	0.073	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-73.7	128.7	179.4	-58	179.8	0	0	0	110.2	V339 Y441 V466	V339-L435 HydrophobicContact CG2-CD1 4.19Å; L435-Y441 HydrophobicContact CB-CD2 4.36Å; L435-Y441 HydrophobicContact CB-CE2 3.99Å; L435-Y441 HydrophobicContact CD2-CD1 4.18Å; L435-Y441 HydrophobicContact CD2-CD2 3.85Å; L435-Y441 HydrophobicContact CD2-CE1 4.27Å; L435-Y441 HydrophobicContact CD2-CE2 3.98Å; L435-Y441 HydrophobicContact CD2-CG 3.96Å; L435-V466 HydrophobicContact CD1-CG1 4.28Å
436	Q	78.4	Confident	84.3	Confident	118 Å²	118	53.6 Å²	53.6	55%	0.551	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-71.5	142.2	179.1	-61.6	-179.7	-1.1	0	0	111.8	Q439 Y441	Q436-Q439 HydrophobicContact CB-CB 4.09Å; Q436-Q439 PolarHBondContact O-N 3.1Å; Q436-Y441 WeakPolarHBondContact CB-OH 3.19Å; Q436-Y441 WeakPolarHBondContact CG-OH 3.33Å; Q436-Y441 PolarHBondContact N-OH 3.3Å; Q436-Y441 VanDerWaalsContact N-OH 3.1Å
437	N	71.3	Confident	84.4	Confident	94 Å²	94	47.7 Å²	47.7	50%	0.503	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	136.7	179.2	-160.6	21.3	0	0	0	111.6	Q439 S468 A469	N437-Q439 PolarHBondContact O-N 3.33Å; N437-S468 PolarHBondContact OD1-O 3.17Å; N437-A469 PolarHBondContact OD1-O 2.94Å
438	G	71.8	Confident	84.5	Confident	32 Å²	32	45.6 Å²	45.6	33%	0.33	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	9.1	-178.7	0	0	0	0	0	116.1	F370	F370-G438 VanDerWaalsContact CZ-O 3.3Å; F370-G438 WeakPolarHBondContact CZ-O 3.39Å
439	Q	81.3	Confident	84.7	Confident	27 Å²	27	40.9 Å²	40.9	13%	0.126	21%	0.205	C	C	.	.			trans	-106.7	131.8	176.1	177	59.2	64.9	0	0	110.2	L362 Q436 N437 Y441	L362-Q439 PolarHBondContact O-NE2 2.89Å; Q436-Q439 HydrophobicContact CB-CB 4.09Å; Q436-Q439 PolarHBondContact O-N 3.1Å; N437-Q439 PolarHBondContact O-N 3.33Å; Q439-Y441 HydrophobicContact CB-CE2 3.77Å; Q439-Y441 HydrophobicContact CG-CD2 4.24Å; Q439-Y441 HydrophobicContact CG-CE1 4.16Å; Q439-Y441 HydrophobicContact CG-CE2 3.51Å; Q439-Y441 VanDerWaalsContact CG-CZ 3.45Å; Q439-Y441 WeakPolarHBondContact CG-OH 3.4Å; Q439-Y441 WeakPolarHBondContact O-CD2 3.42Å; Q439-Y441 WeakPolarHBondContact O-CE2 3.48Å
440	E	84.7	Confident	84.3	Confident	47 Å²	47	41 Å²	41	22%	0.22	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	139.6	173.7	-77.4	-178.4	-152.2	0	0	111.7	L362 F370 V466 V467	L362-E440 HydrophobicContact CB-CB 4.12Å; L362-E440 WeakPolarHBondContact CB-O 3.44Å; L362-E440 HydrophobicContact CD1-CB 3.84Å; L362-E440 HydrophobicContact CG-CB 4.18Å; L362-E440 PolarHBondContact N-O 2.8Å; F370-E440 HydrophobicContact CB-CB 4.11Å; F370-E440 HydrophobicContact CB-CG 4.3Å; F370-E440 WeakPolarHBondContact CB-OE2 3.22Å; F370-E440 HydrophobicContact CD1-CB 3.99Å; F370-E440 HydrophobicContact CD2-CB 4.08Å; F370-E440 VanDerWaalsContact CD2-CD 3.42Å; F370-E440 HydrophobicContact CD2-CG 3.7Å; F370-E440 VanDerWaalsContact CD2-OE1 3.28Å; F370-E440 WeakPolarHBondContact CD2-OE1 3.5Å; F370-E440 HydrophobicContact CE1-CB 4.44Å; F370-E440 HydrophobicContact CE2-CG 4.11Å; F370-E440 HydrophobicContact CG-CB 3.8Å; F370-E440 HydrophobicContact CG-CG 3.92Å; E440-V466 WeakPolarHBondContact CA-O 3.48Å; E440-V467 HydrophobicContact CG-CG2 3.61Å
441	Y	86	Confident	83.4	Confident	12 Å²	12	41.2 Å²	41.2	5%	0.047	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	143.2	176.3	-60.8	-95.5	0	0	0	110.6	V359 V360 P361 L435 Q436 Q439 P465 V466	V359-Y441 HydrophobicContact CG1-CD1 3.75Å; V359-Y441 HydrophobicContact CG1-CG 4.37Å; V360-Y441 WeakPolarHBondContact O-CA 3.28Å; P361-Y441 HydrophobicContact CB-CD1 3.93Å; P361-Y441 HydrophobicContact CB-CE1 3.77Å; L435-Y441 HydrophobicContact CB-CD2 4.36Å; L435-Y441 HydrophobicContact CB-CE2 3.99Å; L435-Y441 HydrophobicContact CD2-CD1 4.18Å; L435-Y441 HydrophobicContact CD2-CD2 3.85Å; L435-Y441 HydrophobicContact CD2-CE1 4.27Å; L435-Y441 HydrophobicContact CD2-CE2 3.98Å; L435-Y441 HydrophobicContact CD2-CG 3.96Å; Q436-Y441 WeakPolarHBondContact CB-OH 3.19Å; Q436-Y441 WeakPolarHBondContact CG-OH 3.33Å; Q436-Y441 PolarHBondContact N-OH 3.3Å; Q436-Y441 VanDerWaalsContact N-OH 3.1Å; Q439-Y441 HydrophobicContact CB-CE2 3.77Å; Q439-Y441 HydrophobicContact CG-CD2 4.24Å; Q439-Y441 HydrophobicContact CG-CE1 4.16Å; Q439-Y441 HydrophobicContact CG-CE2 3.51Å; Q439-Y441 VanDerWaalsContact CG-CZ 3.45Å; Q439-Y441 WeakPolarHBondContact CG-OH 3.4Å; Q439-Y441 WeakPolarHBondContact O-CD2 3.42Å; Q439-Y441 WeakPolarHBondContact O-CE2 3.48Å; Y441-P465 WeakPolarHBondContact O-CA 3.43Å; Y441-V466 PolarHBondContact N-O 2.88Å; Y441-V466 VanDerWaalsContact N-O 3.08Å; Y441-V466 PolarHBondContact O-N 3.36Å
442	I	89.7	Confident	81.9	Confident	6 Å²	6	41.2 Å²	41.2	3%	0.031	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	155.1	162.2	61.6	-179.8	0	0	0	108.3	V360 L362 S372 Y462 P465	V360-I442 WeakPolarHBondContact CA-O 3.33Å; V360-I442 HydrophobicContact CB-CG1 3.82Å; V360-I442 HydrophobicContact CG1-CG1 4.32Å; V360-I442 PolarHBondContact N-O 3.02Å; V360-I442 PolarHBondContact O-N 2.87Å; L362-I442 HydrophobicContact CD1-CG2 4.1Å; L362-I442 HydrophobicContact CD2-CB 4.46Å; L362-I442 HydrophobicContact CD2-CD1 3.71Å; L362-I442 HydrophobicContact CD2-CG1 3.79Å; L362-I442 HydrophobicContact CD2-CG2 4.02Å; L362-I442 HydrophobicContact CG-CG2 4.26Å; S372-I442 WeakPolarHBondContact OG-CD1 3.38Å; I442-Y462 HydrophobicContact CB-CD1 4.26Å; I442-Y462 HydrophobicContact CD1-CD1 3.46Å; I442-Y462 VanDerWaalsContact CD1-CD1 3.46Å; I442-Y462 HydrophobicContact CD1-CD2 4.07Å; I442-Y462 HydrophobicContact CD1-CE1 3.57Å; I442-Y462 HydrophobicContact CD1-CE2 4.15Å; I442-Y462 HydrophobicContact CD1-CG 3.73Å; I442-Y462 HydrophobicContact CG1-CD1 3.83Å; I442-Y462 HydrophobicContact CG1-CE1 4.06Å; I442-Y462 HydrophobicContact CG1-CG 4.43Å; I442-P465 HydrophobicContact CG2-CB 4.37Å; I442-P465 HydrophobicContact CG2-CG 4.17Å
443	F	89.8	Confident	80.1	Confident	1 Å²	1	50.9 Å²	50.9	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	158.5	179.1	59.8	-81.4	0	0	0	111.1	P327 V341 V358 V359 L421 S463 V466	P327-F443 HydrophobicContact CB-CD2 3.98Å; P327-F443 HydrophobicContact CB-CE2 3.26Å; P327-F443 HydrophobicContact CB-CZ 3.94Å; P327-F443 HydrophobicContact CG-CD2 4.11Å; P327-F443 HydrophobicContact CG-CE2 3.91Å; V341-F443 HydrophobicContact CB-CE2 3.92Å; V341-F443 HydrophobicContact CB-CZ 3.83Å; V341-F443 HydrophobicContact CG1-CE1 4.12Å; V341-F443 HydrophobicContact CG1-CE2 3.91Å; V341-F443 HydrophobicContact CG1-CZ 3.38Å; V341-F443 HydrophobicContact CG2-CE2 3.77Å; V341-F443 HydrophobicContact CG2-CZ 4.15Å; V358-F443 WeakPolarHBondContact O-CA 3.24Å; V358-F443 VanDerWaalsContact O-CB 3.26Å; V358-F443 WeakPolarHBondContact O-CB 3.48Å; V359-F443 HydrophobicContact CG2-CB 4.24Å; L421-F443 HydrophobicContact CD1-CD1 3.47Å; L421-F443 VanDerWaalsContact CD1-CD1 3.47Å; L421-F443 HydrophobicContact CD1-CD2 3.87Å; L421-F443 HydrophobicContact CD1-CE1 3.52Å; L421-F443 HydrophobicContact CD1-CE2 3.86Å; L421-F443 HydrophobicContact CD1-CG 3.69Å; L421-F443 HydrophobicContact CD1-CZ 3.75Å; F443-S463 WeakPolarHBondContact CD1-OG 3.41Å; F443-S463 WeakPolarHBondContact CE1-OG 3.29Å; F443-S463 VanDerWaalsContact CZ-CB 3.43Å; F443-S463 PolarHBondContact N-OG 2.89Å; F443-S463 WeakPolarHBondContact O-CB 3.42Å; F443-S463 PolarHBondContact O-N 2.89Å; F443-V466 HydrophobicContact CD1-CG2 4.26Å; F443-V466 HydrophobicContact CE1-CG2 3.72Å
444	F	92	Very high	78.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	164.7	179.4	67.7	-82.8	0	0	0	110.3	V358 V360 P377 M380 L382 L446 T459 Y462	V358-F444 HydrophobicContact CB-CD1 4.08Å; V358-F444 HydrophobicContact CB-CE1 3.59Å; V358-F444 HydrophobicContact CB-CE2 4.06Å; V358-F444 HydrophobicContact CB-CZ 3.58Å; V358-F444 HydrophobicContact CG1-CD1 4.35Å; V358-F444 HydrophobicContact CG1-CE1 3.5Å; V358-F444 VanDerWaalsContact CG1-CE1 3.5Å; V358-F444 HydrophobicContact CG1-CZ 3.62Å; V358-F444 HydrophobicContact CG2-CE1 4.42Å; V358-F444 HydrophobicContact CG2-CE2 4.09Å; V358-F444 HydrophobicContact CG2-CZ 3.9Å; V358-F444 PolarHBondContact N-O 2.76Å; V358-F444 PolarHBondContact O-N 2.87Å; V360-F444 HydrophobicContact CG2-CD1 4.3Å; V360-F444 HydrophobicContact CG2-CE1 3.88Å; P377-F444 HydrophobicContact CB-CD1 3.98Å; P377-F444 HydrophobicContact CB-CD2 3.63Å; P377-F444 HydrophobicContact CB-CE1 4Å; P377-F444 HydrophobicContact CB-CE2 3.66Å; P377-F444 HydrophobicContact CB-CG 3.8Å; P377-F444 HydrophobicContact CB-CZ 3.84Å; P377-F444 HydrophobicContact CG-CB 3.87Å; P377-F444 HydrophobicContact CG-CD1 3.91Å; P377-F444 HydrophobicContact CG-CD2 3.86Å; P377-F444 HydrophobicContact CG-CE1 4.41Å; P377-F444 HydrophobicContact CG-CE2 4.38Å; P377-F444 HydrophobicContact CG-CG 3.6Å; M380-F444 HydrophobicContact CE-CE1 3.64Å; M380-F444 HydrophobicContact CE-CZ 3.55Å; L382-F444 HydrophobicContact CD2-CZ 4.25Å; F444-L446 HydrophobicContact CE2-CB 4.13Å; F444-T459 HydrophobicContact CD2-CG2 4.17Å; F444-T459 HydrophobicContact CE2-CG2 3.88Å; F444-Y462 HydrophobicContact CB-CD1 4.28Å; F444-Y462 AromaticContact CD1-CD1 3.87Å; F444-Y462 HydrophobicContact CD1-CD1 3.87Å; F444-Y462 AromaticContact CD1-CE1 3.55Å; F444-Y462 HydrophobicContact CD1-CE1 3.55Å; F444-Y462 AromaticContact CE1-CE1 3.98Å; F444-Y462 HydrophobicContact CE1-CE1 3.98Å; F444-Y462 HydrophobicContact CG-CD1 4.43Å; F444-Y462 HydrophobicContact CG-CE1 4.4Å
445	V	90.9	Very high	78.4	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	133.1	174.7	-177.5	0	0	0	0	109.2	L323 P327 L343 P344 Y355 Y356 L415 T459 S460	L323-V445 HydrophobicContact CD1-CB 4.11Å; L323-V445 HydrophobicContact CD1-CG1 3.93Å; L323-V445 WeakPolarHBondContact CD1-O 3.46Å; L323-V445 HydrophobicContact CD2-CG1 4.42Å; P327-V445 HydrophobicContact CG-CG2 4.4Å; L343-V445 HydrophobicContact CD2-CG2 4.05Å; P344-V445 HydrophobicContact CG-CB 4.29Å; P344-V445 HydrophobicContact CG-CG2 3.94Å; Y355-V445 HydrophobicContact CD1-CG1 4.18Å; Y356-V445 CarbonylContact O-C 3.22Å; Y356-V445 WeakPolarHBondContact O-CA 3.28Å; L415-V445 HydrophobicContact CD1-CG1 3.84Å; L415-V445 HydrophobicContact CD1-CG2 4.4Å; L415-V445 HydrophobicContact CD2-CG1 4.11Å; V445-T459 CarbonylContact O-C 3.57Å; V445-T459 WeakPolarHBondContact O-CA 3.41Å; V445-S460 PolarHBondContact N-OG 2.85Å; V445-S460 PolarHBondContact O-N 2.97Å
446	L	90.1	Very high	78.4	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	114.5	174.6	173.2	72.5	0	0	0	108.9	Y355 Y356 V358 L382 I389 F444 Y457 A458 T459	Y355-L446 CarbonylContact C-O 3.56Å; Y355-L446 WeakPolarHBondContact CA-O 3.49Å; Y356-L446 PolarHBondContact N-O 2.92Å; Y356-L446 PolarHBondContact O-N 3.41Å; V358-L446 HydrophobicContact CG2-CB 4.24Å; L382-L446 HydrophobicContact CD1-CD1 4.23Å; I389-L446 HydrophobicContact CD1-CD2 3.76Å; F444-L446 HydrophobicContact CE2-CB 4.13Å; L446-Y457 HydrophobicContact CD1-CD1 4.28Å; L446-A458 CarbonylContact C-O 3.47Å; L446-A458 WeakPolarHBondContact CA-O 3.5Å; L446-T459 HydrophobicContact CD1-CG2 3.68Å
447	A	87.6	Confident	78.7	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	137	172.8	0	0	0	0	0	110.8	L323 V352 Y355 Y457 A458	L323-A447 HydrophobicContact CD1-CB 3.9Å; V352-A447 HydrophobicContact CG1-CB 4.11Å; Y355-A447 HydrophobicContact CD1-CB 3.77Å; Y355-A447 HydrophobicContact CE1-CB 3.85Å; A447-Y457 WeakPolarHBondContact O-CA 3.44Å; A447-A458 HydrophobicContact CB-CB 4.43Å; A447-A458 PolarHBondContact N-O 3.11Å; A447-A458 PolarHBondContact O-N 2.9Å
448	V	86.8	Confident	79.4	Confident	5 Å²	5	39 Å²	39	3%	0.03	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	116.2	172.9	-177.4	0	0	0	0	108.8	V352 R353 G354 Y356 I455 Y457	V352-V448 CarbonylContact C-O 3.58Å; V352-V448 WeakPolarHBondContact CG1-O 3.4Å; R353-V448 HydrophobicContact CB-CB 4.29Å; R353-V448 HydrophobicContact CB-CG1 4.19Å; R353-V448 PolarHBondContact N-O 2.86Å; G354-V448 PolarHBondContact O-N 3.35Å; Y356-V448 HydrophobicContact CD2-CG2 3.95Å; Y356-V448 HydrophobicContact CE2-CG2 3.55Å; V448-I455 HydrophobicContact CG1-CG2 3.62Å; V448-Y457 HydrophobicContact CG1-CE1 4.23Å; V448-Y457 HydrophobicContact CG2-CD1 3.92Å; V448-Y457 HydrophobicContact CG2-CE1 3.85Å
449	L	83.4	Confident	80.3	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	139.6	-175.4	-56.5	175.2	0	0	0	110.4	A319 P320 V322 V352 M456 A458	A319-L449 HydrophobicContact CB-CD1 4.42Å; P320-L449 HydrophobicContact CG-CD1 3.81Å; V322-L449 HydrophobicContact CG2-CD1 4.28Å; V322-L449 HydrophobicContact CG2-CD2 4.35Å; V352-L449 HydrophobicContact CB-CD2 4.36Å; V352-L449 HydrophobicContact CG1-CD2 4.28Å; V352-L449 HydrophobicContact CG2-CD2 3.69Å; L449-M456 HydrophobicContact CB-CB 4.29Å; L449-M456 PolarHBondContact N-O 2.92Å; L449-M456 PolarHBondContact O-N 2.84Å; L449-A458 HydrophobicContact CD1-CB 3.94Å
450	E	74	Confident	80.6	Confident	120 Å²	120	36.3 Å²	36.3	56%	0.561	19%	0.187	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108	111.2	174.1	-172.9	165.9	-151.1	0	0	109.5	T351	T351-E450 PolarHBondContact O-N 3.36Å; T351-E450 VanDerWaalsContact O-N 3.08Å; T351-E450 PolarHBondContact OG1-O 2.84Å
451	M	65	Low	80.7	Confident	39 Å²	39	36.4 Å²	36.4	19%	0.192	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	116.2	-178.4	-70.7	-176	73.3	0	0	110	P320 E350 E453 N454 M456	P320-M451 HydrophobicContact CG-SD 4.29Å; E350-M451 HydrophobicContact CG-CG 4.5Å; E350-M451 HydrophobicContact CG-SD 4.26Å; M451-E453 PolarHBondContact O-N 3.12Å; M451-N454 PolarHBondContact N-O 3.49Å; M451-N454 PolarHBondContact O-N 3.34Å; M451-N454 VanDerWaalsContact O-N 3.16Å; M451-M456 HydrophobicContact CB-CE 3.74Å; M451-M456 HydrophobicContact CE-CE 4.36Å; M451-M456 HydrophobicContact CG-CE 4.29Å; M451-M456 HydrophobicContact SD-CE 3.73Å; M451-M456 HydrophobicContact SD-SD 4.43Å
452	S	54.5	Low	80.8	Confident	108 Å²	108	37 Å²	37	76%	0.755	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	41	70.3	165.6	36.2	0	0	0	0	114.2	N454	S452-N454 VanDerWaalsContact C-N 3.26Å; S452-N454 PolarHBondContact O-N 2.86Å
453	E	52.5	Low	80.7	Confident	203 Å²	203	37 Å²	37	95%	0.949	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.1	-0.1	175.9	-54	-169	173.2	0	0	117.4	M451	M451-E453 PolarHBondContact O-N 3.12Å
454	N	60.1	Low	80.5	Confident	109 Å²	109	40.9 Å²	40.9	58%	0.583	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.8	178.2	-68.5	-51.8	0	0	0	113.7	M451 S452	M451-N454 PolarHBondContact N-O 3.49Å; M451-N454 PolarHBondContact O-N 3.34Å; M451-N454 VanDerWaalsContact O-N 3.16Å; S452-N454 VanDerWaalsContact C-N 3.26Å; S452-N454 PolarHBondContact O-N 2.86Å
455	I	72.9	Confident	80	Confident	79 Å²	79	44.1 Å²	44.1	41%	0.405	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	122	174.1	-58.4	176	0	0	0	109	V448 Y457	V448-I455 HydrophobicContact CG1-CG2 3.62Å; I455-Y457 HydrophobicContact CG2-CE1 4.25Å; I455-Y457 HydrophobicContact CG2-CE2 4.13Å
456	M	82.8	Confident	79.3	Confident	13 Å²	13	44.2 Å²	44.2	6%	0.064	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	161.2	175.4	-63.1	-161.6	-130.6	0	0	111.6	M317 A319 L449 M451	M317-M456 HydrophobicContact CB-CE 4.42Å; A319-M456 HydrophobicContact CB-CB 4.14Å; A319-M456 HydrophobicContact CB-SD 4.33Å; L449-M456 HydrophobicContact CB-CB 4.29Å; L449-M456 PolarHBondContact N-O 2.92Å; L449-M456 PolarHBondContact O-N 2.84Å; M451-M456 HydrophobicContact CB-CE 3.74Å; M451-M456 HydrophobicContact CE-CE 4.36Å; M451-M456 HydrophobicContact CG-CE 4.29Å; M451-M456 HydrophobicContact SD-CE 3.73Å; M451-M456 HydrophobicContact SD-SD 4.43Å
457	Y	86.2	Confident	78.3	Confident	14 Å²	14	47.8 Å²	47.8	6%	0.055	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	134.1	-177.4	-59.1	-84.7	0	0	0	110.5	A244 A245 M246 A319 L386 L446 A447 V448 I455	A244-Y457 HydrophobicContact CB-CD2 4.06Å; A244-Y457 HydrophobicContact CB-CE2 3.98Å; A245-Y457 PolarHBondContact O-N 2.79Å; M246-Y457 VanDerWaalsContact CA-O 3.29Å; M246-Y457 WeakPolarHBondContact CA-O 3.42Å; A319-Y457 WeakPolarHBondContact CB-O 3.35Å; L386-Y457 HydrophobicContact CD1-CE2 4.4Å; L386-Y457 HydrophobicContact CD2-CD1 3.86Å; L386-Y457 HydrophobicContact CD2-CD2 4.48Å; L386-Y457 HydrophobicContact CD2-CE1 3.29Å; L386-Y457 HydrophobicContact CD2-CE2 4.01Å; L386-Y457 HydrophobicContact CD2-CG 4.42Å; L446-Y457 HydrophobicContact CD1-CD1 4.28Å; A447-Y457 WeakPolarHBondContact O-CA 3.44Å; V448-Y457 HydrophobicContact CG1-CE1 4.23Å; V448-Y457 HydrophobicContact CG2-CD1 3.92Å; V448-Y457 HydrophobicContact CG2-CE1 3.85Å; I455-Y457 HydrophobicContact CG2-CE1 4.25Å; I455-Y457 HydrophobicContact CG2-CE2 4.13Å
458	A	86.3	Confident	77	Confident	2 Å²	2	48.4 Å²	48.4	2%	0.017	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.8	174.7	0	0	0	0	0	110.4	V322 L446 A447 L449	V322-A458 HydrophobicContact CG2-CB 3.44Å; V322-A458 VanDerWaalsContact CG2-CB 3.44Å; L446-A458 CarbonylContact C-O 3.47Å; L446-A458 WeakPolarHBondContact CA-O 3.5Å; A447-A458 HydrophobicContact CB-CB 4.43Å; A447-A458 PolarHBondContact N-O 3.11Å; A447-A458 PolarHBondContact O-N 2.9Å; L449-A458 HydrophobicContact CD1-CB 3.94Å
459	T	88.8	Confident	75.3	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.012	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	144.2	-179.2	67.2	0	0	0	0	111.5	P377 D378 F444 V445 L446	P377-T459 HydrophobicContact CB-CG2 4.06Å; D378-T459 WeakPolarHBondContact OD1-CG2 3.47Å; D378-T459 PolarHBondContact OD1-OG1 3.45Å; F444-T459 HydrophobicContact CD2-CG2 4.17Å; F444-T459 HydrophobicContact CE2-CG2 3.88Å; V445-T459 CarbonylContact O-C 3.57Å; V445-T459 WeakPolarHBondContact O-CA 3.41Å; L446-T459 HydrophobicContact CD1-CG2 3.68Å
460	S	88.9	Confident	73.5	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.007	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-74.2	158.6	163.7	75.3	0	0	0	0	110.5	L323 P377 V445	L323-S460 WeakPolarHBondContact O-CA 3.48Å; P377-S460 WeakPolarHBondContact CG-O 3.39Å; V445-S460 PolarHBondContact N-OG 2.85Å; V445-S460 PolarHBondContact O-N 2.97Å
461	P	86.9	Confident	71.9	Confident	49 Å²	49	58.4 Å²	58.4	32%	0.318	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-57.9	157.1	164.3	-16.8	28.8	0	0	0	111.4	L323 K326 P327	L323-P461 WeakPolarHBondContact O-CD 3.31Å; K326-P461 HydrophobicContact CB-CB 4.08Å; P327-P461 WeakPolarHBondContact CD-O 3.28Å
462	Y	87.5	Confident	70.7	Confident	25 Å²	25	63.3 Å²	63.3	10%	0.098	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-60.6	146.2	173.6	-72.5	-62.4	0	0	0	111.7	K326 V360 W374 S376 P377 I442 F444	K326-Y462 WeakPolarHBondContact CB-O 3.5Å; V360-Y462 HydrophobicContact CG2-CE1 4.25Å; W374-Y462 WeakPolarHBondContact O-CE2 3.25Å; S376-Y462 VanDerWaalsContact C-CE2 3.41Å; P377-Y462 HydrophobicContact CB-CE1 4.22Å; P377-Y462 HydrophobicContact CG-CD1 3.79Å; P377-Y462 HydrophobicContact CG-CD2 4.01Å; P377-Y462 HydrophobicContact CG-CE1 3.65Å; P377-Y462 HydrophobicContact CG-CE2 3.87Å; P377-Y462 HydrophobicContact CG-CG 3.97Å; I442-Y462 HydrophobicContact CB-CD1 4.26Å; I442-Y462 HydrophobicContact CD1-CD1 3.46Å; I442-Y462 VanDerWaalsContact CD1-CD1 3.46Å; I442-Y462 HydrophobicContact CD1-CD2 4.07Å; I442-Y462 HydrophobicContact CD1-CE1 3.57Å; I442-Y462 HydrophobicContact CD1-CE2 4.15Å; I442-Y462 HydrophobicContact CD1-CG 3.73Å; I442-Y462 HydrophobicContact CG1-CD1 3.83Å; I442-Y462 HydrophobicContact CG1-CE1 4.06Å; I442-Y462 HydrophobicContact CG1-CG 4.43Å; F444-Y462 HydrophobicContact CB-CD1 4.28Å; F444-Y462 AromaticContact CD1-CD1 3.87Å; F444-Y462 HydrophobicContact CD1-CD1 3.87Å; F444-Y462 AromaticContact CD1-CE1 3.55Å; F444-Y462 HydrophobicContact CD1-CE1 3.55Å; F444-Y462 AromaticContact CE1-CE1 3.98Å; F444-Y462 HydrophobicContact CE1-CE1 3.98Å; F444-Y462 HydrophobicContact CG-CD1 4.43Å; F444-Y462 HydrophobicContact CG-CE1 4.4Å
463	S	88.3	Confident	70	Confident	6 Å²	6	64.3 Å²	64.3	4%	0.042	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-63.7	167.3	166.4	73.2	0	0	0	0	111.9	F443	F443-S463 WeakPolarHBondContact CD1-OG 3.41Å; F443-S463 WeakPolarHBondContact CE1-OG 3.29Å; F443-S463 VanDerWaalsContact CZ-CB 3.43Å; F443-S463 PolarHBondContact N-OG 2.89Å; F443-S463 WeakPolarHBondContact O-CB 3.42Å; F443-S463 PolarHBondContact O-N 2.89Å
464	D	84.1	Confident	69.1	Low	82 Å²	82	62.8 Å²	62.8	44%	0.439	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-65.7	149.8	162	-64.2	-40.4	0	0	0	110.2	K326	K326-D464 WeakPolarHBondContact CE-OD2 3.33Å; K326-D464 IonicContact NZ-OD1 3.62Å; K326-D464 PolarHBondContact NZ-OD1 2.91Å; K326-D464 IonicContact NZ-OD2 2.65Å; K326-D464 PolarHBondContact NZ-OD2 2.82Å
465	P	81.5	Confident	68	Low	69 Å²	69	63.6 Å²	63.6	45%	0.448	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-60.1	136.5	178.8	-24.5	34.1	0	0	0	112.8	L362 Y441 I442	L362-P465 HydrophobicContact CD1-CB 4.3Å; L362-P465 HydrophobicContact CD1-CG 4.43Å; Y441-P465 WeakPolarHBondContact O-CA 3.43Å; I442-P465 HydrophobicContact CG2-CB 4.37Å; I442-P465 HydrophobicContact CG2-CG 4.17Å
466	V	77.1	Confident	66.1	Low	2 Å²	2	67.5 Å²	67.5	1%	0.012	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	122.8	-178.9	-178.8	0	0	0	0	109.8	M329 V339 L435 E440 Y441 F443	M329-V466 HydrophobicContact CE-CB 3.72Å; M329-V466 HydrophobicContact CE-CG1 3.43Å; M329-V466 VanDerWaalsContact CE-CG1 3.43Å; M329-V466 HydrophobicContact CE-CG2 3.26Å; M329-V466 HydrophobicContact SD-CG2 3.82Å; V339-V466 HydrophobicContact CB-CG1 4.36Å; V339-V466 HydrophobicContact CG1-CG1 4.31Å; V339-V466 HydrophobicContact CG2-CG1 3.7Å; L435-V466 HydrophobicContact CD1-CG1 4.28Å; E440-V466 WeakPolarHBondContact CA-O 3.48Å; Y441-V466 PolarHBondContact N-O 2.88Å; Y441-V466 VanDerWaalsContact N-O 3.08Å; Y441-V466 PolarHBondContact O-N 3.36Å; F443-V466 HydrophobicContact CD1-CG2 4.26Å; F443-V466 HydrophobicContact CE1-CG2 3.72Å
467	V	68.5	Low	63.6	Low	74 Å²	74	73.7 Å²	73.7	45%	0.448	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.7	175.5	-175.6	0	0	0	0	109.2	E440	E440-V467 HydrophobicContact CG-CG2 3.61Å
468	S	60.3	Low	61.3	Low	14 Å²	14	81.1 Å²	81.1	10%	0.098	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-73.1	130.4	165.3	176.2	0	0	0	0	109.4	N437	N437-S468 PolarHBondContact OD1-O 3.17Å
469	A	52.5	Low	59.3	Low	63 Å²	63	88.9 Å²	88.9	52%	0.521	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-64.2	131	-170.3	0	0	0	0	0	113.7	N437 L471	N437-A469 PolarHBondContact OD1-O 2.94Å; A469-L471 PolarHBondContact O-N 3.47Å
470	D	44.1	Very low	57.1	Low	135 Å²	135	97.6 Å²	97.6	72%	0.722	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-65.6	117	174.3	-95.9	-30.3	0	0	0	111.9
471	L	41.9	Very low	55	Low	138 Å²	138	107.5 Å²	107.5	72%	0.723	58%	0.578	S	S	*	*			trans	-114.7	105.9	160.9	-87.4	159.7	0	0	0	109.1	A469	A469-L471 PolarHBondContact O-N 3.47Å
472	N	38.1	Very low	53.1	Low	142 Å²	142	108.2 Å²	108.2	76%	0.759	59%	0.594	S	S	*	*			trans	72.8	117.9	172.1	-72.6	-18.1	0	0	0	118.8	Q474	N472-Q474 PolarHBondContact O-N 3.18Å
473	P	41.3	Very low	51	Low	129 Å²	129	113 Å²	113	84%	0.838	62%	0.62	S	S	*	*			trans	-78.4	113.5	169	31.8	-28	0	0	0	108.9
474	Q	34	Very low	49.1	Very low	171 Å²	171	120.1 Å²	120.1	80%	0.799	66%	0.656	S	S	*	*			trans	-96.5	134.9	157.4	-72.4	-165	-8	0	0	108.8	N472 I476	N472-Q474 PolarHBondContact O-N 3.18Å; Q474-I476 PolarHBondContact O-N 2.9Å
475	P	36	Very low	47.5	Very low	125 Å²	125	127.4 Å²	127.4	81%	0.812	68%	0.678	S	S	*	*			trans	-70.5	113.3	-178	28.4	-31.3	0	0	0	109.1	M477	P475-M477 PolarHBondContact O-N 2.85Å
476	I	33.5	Very low	46	Very low	161 Å²	161	128.8 Å²	128.8	83%	0.826	69%	0.685	S	S	*	*			trans	-82.7	112.3	167.7	-61	174.2	0	0	0	106.3	Q474	Q474-I476 PolarHBondContact O-N 2.9Å
477	M	30.2	Very low	44.9	Very low	144 Å²	144	132.2 Å²	132.2	71%	0.709	71%	0.706	S	S	*	*			trans	-63.1	130.7	165.9	-74	171.3	45.1	0	0	109	P475 E479	P475-M477 PolarHBondContact O-N 2.85Å; M477-E479 VanDerWaalsContact C-N 3.34Å; M477-E479 PolarHBondContact O-N 2.96Å
478	D	36.8	Very low	44.3	Very low	170 Å²	170	131.2 Å²	131.2	91%	0.909	71%	0.71	S	S	*	*			trans	-63.4	91.2	167.1	-86.1	-37.5	0	0	0	109.6
479	E	45.6	Very low	43.9	Very low	164 Å²	164	134.4 Å²	134.4	77%	0.766	73%	0.731	S	S	*	*			trans	-105.4	62.9	165.2	-77.3	-166.3	167.4	0	0	110.2	M477	M477-E479 VanDerWaalsContact C-N 3.34Å; M477-E479 PolarHBondContact O-N 2.96Å
480	E	42.9	Very low	44	Very low	186 Å²	186	135.7 Å²	135.7	87%	0.869	73%	0.732	S	S	*	*			trans	-152.2	35.3	164.9	-122.9	177	-159.3	0	0	115.4
481	E	43.9	Very low	44.7	Very low	209 Å²	209	134.8 Å²	134.8	98%	0.977	73%	0.726	S	S	*	*	S	Bend	trans	-106	12.4	160.1	-85.7	-165.9	158.8	0	0	113.6
482	G	47.4	Very low	45.5	Very low	64 Å²	64	130.8 Å²	130.8	66%	0.66	71%	0.713	S	S	*	*	S	Bend	trans	-115.1	2.8	-169.9	0	0	0	0	0	118.7
483	L	43.2	Very low	46.7	Very low	125 Å²	125	128 Å²	128	65%	0.654	70%	0.701	S	S	*	*	S	Bend	trans	-127	21.6	-169.5	-142.4	81.8	0	0	0	116.3
484	I	49.2	Very low	48	Very low	155 Å²	155	125.6 Å²	125.6	80%	0.795	68%	0.684	S	S	*	*	S	Bend	trans	-96.8	-9	176.5	-73.1	171.6	0	0	0	113.1
485	W	48.6	Very low	49.5	Very low	236 Å²	236	124.3 Å²	124.3	89%	0.894	68%	0.676	S	S	*	*	S	Bend	trans	-100.8	-3.8	-177.3	-72.5	95.8	0	0	0	116.1
486	V	51.9	Low	51.1	Low	98 Å²	98	123.5 Å²	123.5	59%	0.594	66%	0.663	S	S	*	*	S	Bend	trans	-114.9	-20.4	-174.2	-172.3	0	0	0	0	114.1
487	V	52.6	Low	52.9	Low	74 Å²	74	120.1 Å²	120.1	45%	0.448	65%	0.646	S	S	.	*	H	α-helix	trans	-88.6	-25.7	-174.4	-174.6	0	0	0	0	113.3	L491	V487-L491 HydrophobicContact CG1-CD1 3.95Å; V487-L491 HydrophobicContact CG1-CG 4.43Å; V487-L491 PolarHBondContact O-N 2.99Å
488	G	55.6	Low	54.8	Low	53 Å²	53	116.9 Å²	116.9	55%	0.546	64%	0.637	S	S	.	*	H	α-helix	trans	-60.8	-45.8	177.7	0	0	0	0	0	114.7	V490 A492	G488-V490 PolarHBondContact O-N 3.2Å; G488-A492 PolarHBondContact O-N 2.98Å
489	P	53.3	Low	56.5	Low	81 Å²	81	112.7 Å²	112.7	53%	0.526	61%	0.614	S	S	.	*	H	α-helix	trans	-69.8	-31.4	-179.5	-21.6	33.5	0	0	0	113.9	V493	P489-V493 WeakPolarHBondContact O-CG2 3.31Å; P489-V493 PolarHBondContact O-N 3.31Å
490	V	54.9	Low	57.5	Low	89 Å²	89	108.4 Å²	108.4	54%	0.539	60%	0.599	S	S	.	*	H	α-helix	trans	-72.1	-38.9	-176.7	179	0	0	0	0	111.5	G488 V493 V494	G488-V490 PolarHBondContact O-N 3.2Å; V490-V493 PolarHBondContact O-N 2.93Å; V490-V494 WeakPolarHBondContact O-CG2 3.32Å; V490-V494 PolarHBondContact O-N 3.23Å; V490-V494 VanDerWaalsContact O-N 3.16Å
491	L	58.2	Low	58.7	Low	117 Å²	117	103.8 Å²	103.8	61%	0.613	58%	0.579	S	S	*	*	H	α-helix	trans	-71	-32.6	178.4	-70.8	170.9	0	0	0	112.6	V487 F495	V487-L491 HydrophobicContact CG1-CD1 3.95Å; V487-L491 HydrophobicContact CG1-CG 4.43Å; V487-L491 PolarHBondContact O-N 2.99Å; L491-F495 WeakPolarHBondContact O-CB 3.49Å; L491-F495 PolarHBondContact O-N 3.42Å; L491-F495 VanDerWaalsContact O-N 3.11Å
492	A	58.1	Low	59.4	Low	53 Å²	53	96.7 Å²	96.7	44%	0.438	56%	0.556	S	S	.	*	H	α-helix	trans	-67.2	-37	174	0	0	0	0	0	112.4	G488 F495 I496	G488-A492 PolarHBondContact O-N 2.98Å; A492-F495 PolarHBondContact O-N 2.72Å; A492-I496 VanDerWaalsContact O-CG1 3.3Å; A492-I496 WeakPolarHBondContact O-CG1 3.12Å; A492-I496 PolarHBondContact O-N 3.04Å; A492-I496 VanDerWaalsContact O-N 3.14Å
493	V	64	Low	60	Low	85 Å²	85	98.7 Å²	98.7	52%	0.515	55%	0.55	S	S	.	*	H	α-helix	trans	-69.5	-41.1	177.1	172.5	0	0	0	0	111.5	P489 V490 F495 I496 I497	P489-V493 WeakPolarHBondContact O-CG2 3.31Å; P489-V493 PolarHBondContact O-N 3.31Å; V490-V493 PolarHBondContact O-N 2.93Å; V493-F495 VanDerWaalsContact C-N 3.32Å; V493-F495 PolarHBondContact O-N 3.34Å; V493-I496 PolarHBondContact O-N 2.78Å; V493-I497 HydrophobicContact CG1-CD1 3.87Å; V493-I497 VanDerWaalsContact O-CG1 3.27Å; V493-I497 WeakPolarHBondContact O-CG1 3.31Å; V493-I497 PolarHBondContact O-N 3Å
494	V	68	Low	60.5	Low	77 Å²	77	98.4 Å²	98.4	47%	0.467	55%	0.549	S	S	.	.	H	α-helix	trans	-63.6	-39.6	176	173.9	0	0	0	0	111.2	V490 I496 I497 C498	V490-V494 WeakPolarHBondContact O-CG2 3.32Å; V490-V494 PolarHBondContact O-N 3.23Å; V490-V494 VanDerWaalsContact O-N 3.16Å; V494-I496 PolarHBondContact O-N 3.08Å; V494-I497 PolarHBondContact O-N 2.87Å; V494-C498 PolarHBondContact O-N 2.82Å; V494-C498 VanDerWaalsContact O-N 3.08Å; V494-C498 PolarHBondContact O-SG 2.96Å; V494-C498 VanDerWaalsContact O-SG 3.37Å
495	F	64.8	Low	60.6	Low	145 Å²	145	97.6 Å²	97.6	64%	0.636	55%	0.545	S	S	*	.	H	α-helix	trans	-65.9	-38.6	178.3	-160.7	-104.3	0	0	0	112.5	L491 A492 V493 C498 I499	L491-F495 WeakPolarHBondContact O-CB 3.49Å; L491-F495 PolarHBondContact O-N 3.42Å; L491-F495 VanDerWaalsContact O-N 3.11Å; A492-F495 PolarHBondContact O-N 2.72Å; V493-F495 VanDerWaalsContact C-N 3.32Å; V493-F495 PolarHBondContact O-N 3.34Å; F495-C498 PolarHBondContact O-N 2.87Å; F495-I499 HydrophobicContact CD1-CD1 3.95Å; F495-I499 HydrophobicContact CE1-CD1 3.8Å; F495-I499 WeakPolarHBondContact O-CG1 3.4Å; F495-I499 PolarHBondContact O-N 2.81Å
496	I	70.4	Confident	60.5	Low	107 Å²	107	96.7 Å²	96.7	55%	0.549	54%	0.543	S	S	.	.	H	α-helix	trans	-68.4	-38.3	175.2	-68.2	169	0	0	0	111.2	A492 V493 V494 C498 I499 V500	A492-I496 VanDerWaalsContact O-CG1 3.3Å; A492-I496 WeakPolarHBondContact O-CG1 3.12Å; A492-I496 PolarHBondContact O-N 3.04Å; A492-I496 VanDerWaalsContact O-N 3.14Å; V493-I496 PolarHBondContact O-N 2.78Å; V494-I496 PolarHBondContact O-N 3.08Å; I496-C498 PolarHBondContact O-N 2.54Å; I496-I499 PolarHBondContact O-N 2.86Å; I496-V500 WeakPolarHBondContact O-CG2 3.28Å; I496-V500 PolarHBondContact O-N 3.1Å
497	I	71.6	Confident	59.9	Low	90 Å²	90	100.9 Å²	100.9	46%	0.462	55%	0.554	S	S	.	*	H	α-helix	trans	-63.3	-41.3	176.4	-70.1	166.3	0	0	0	111.4	V493 V494 I499 V500 I501	V493-I497 HydrophobicContact CG1-CD1 3.87Å; V493-I497 VanDerWaalsContact O-CG1 3.27Å; V493-I497 WeakPolarHBondContact O-CG1 3.31Å; V493-I497 PolarHBondContact O-N 3Å; V494-I497 PolarHBondContact O-N 2.87Å; I497-I499 PolarHBondContact O-N 2.82Å; I497-V500 PolarHBondContact O-N 2.9Å; I497-I501 HydrophobicContact CG2-CD1 3.81Å; I497-I501 HydrophobicContact CG2-CG1 4.47Å; I497-I501 VanDerWaalsContact O-CG1 3.31Å; I497-I501 WeakPolarHBondContact O-CG1 3.33Å; I497-I501 PolarHBondContact O-N 2.55Å
498	C	69.8	Low	59	Low	76 Å²	76	102 Å²	102	51%	0.514	57%	0.565	S	S	.	*	H	α-helix	trans	-64.3	-37.5	177.3	-69.6	0	0	0	0	112.9	V494 F495 I496 A502	V494-C498 PolarHBondContact O-N 2.82Å; V494-C498 VanDerWaalsContact O-N 3.08Å; V494-C498 PolarHBondContact O-SG 2.96Å; V494-C498 VanDerWaalsContact O-SG 3.37Å; F495-C498 PolarHBondContact O-N 2.87Å; I496-C498 PolarHBondContact O-N 2.54Å; C498-A502 PolarHBondContact O-N 3.25Å; C498-A502 VanDerWaalsContact O-N 3.09Å
499	I	71.8	Confident	58.1	Low	83 Å²	83	109 Å²	109	43%	0.426	58%	0.58	S	S	.	*	H	α-helix	trans	-68.8	-38.9	176.4	-68.3	172.4	0	0	0	111	F495 I496 I497 A502 I503	F495-I499 HydrophobicContact CD1-CD1 3.95Å; F495-I499 HydrophobicContact CE1-CD1 3.8Å; F495-I499 WeakPolarHBondContact O-CG1 3.4Å; F495-I499 PolarHBondContact O-N 2.81Å; I496-I499 PolarHBondContact O-N 2.86Å; I497-I499 PolarHBondContact O-N 2.82Å; I499-A502 PolarHBondContact O-N 3Å; I499-I503 HydrophobicContact CG2-CD1 3.89Å; I499-I503 VanDerWaalsContact O-CG1 3.29Å; I499-I503 WeakPolarHBondContact O-CG1 3.45Å; I499-I503 PolarHBondContact O-N 3.05Å; I499-I503 VanDerWaalsContact O-N 3.08Å
500	V	68.4	Low	57.7	Low	74 Å²	74	109.7 Å²	109.7	45%	0.448	59%	0.585	S	S	.	*	H	α-helix	trans	-67.2	-39.2	176.6	172.7	0	0	0	0	111.8	I496 I497 I503 L504	I496-V500 WeakPolarHBondContact O-CG2 3.28Å; I496-V500 PolarHBondContact O-N 3.1Å; I497-V500 PolarHBondContact O-N 2.9Å; V500-I503 PolarHBondContact O-N 3.01Å; V500-L504 HydrophobicContact CG1-CD1 3.96Å; V500-L504 WeakPolarHBondContact O-CB 3.29Å; V500-L504 WeakPolarHBondContact O-CG 3.36Å; V500-L504 PolarHBondContact O-N 3.06Å
501	I	67.9	Low	56.5	Low	89 Å²	89	112.4 Å²	112.4	46%	0.456	60%	0.596	S	S	.	*	H	α-helix	trans	-64.5	-41.7	175.3	-69.2	168.5	0	0	0	111	I497 I503 L504 L505	I497-I501 HydrophobicContact CG2-CD1 3.81Å; I497-I501 HydrophobicContact CG2-CG1 4.47Å; I497-I501 VanDerWaalsContact O-CG1 3.31Å; I497-I501 WeakPolarHBondContact O-CG1 3.33Å; I497-I501 PolarHBondContact O-N 2.55Å; I501-I503 VanDerWaalsContact C-N 3.34Å; I501-I503 PolarHBondContact O-N 2.88Å; I501-L504 PolarHBondContact O-N 2.9Å; I501-L505 HydrophobicContact CG2-CD1 3.92Å; I501-L505 HydrophobicContact CG2-CG 4.47Å; I501-L505 WeakPolarHBondContact O-CG 3.44Å; I501-L505 PolarHBondContact O-N 3Å
502	A	58	Low	55.2	Low	60 Å²	60	117 Å²	117	50%	0.496	61%	0.605	S	S	.	*	H	α-helix	trans	-64.2	-37.2	177	0	0	0	0	0	112.5	C498 I499 Y506	C498-A502 PolarHBondContact O-N 3.25Å; C498-A502 VanDerWaalsContact O-N 3.09Å; I499-A502 PolarHBondContact O-N 3Å; A502-Y506 PolarHBondContact O-N 3.43Å
503	I	60.6	Low	53.8	Low	106 Å²	106	123 Å²	123	54%	0.544	62%	0.621	S	S	.	*	H	α-helix	trans	-72.4	-35.3	177.1	-67.9	168	0	0	0	111.7	I499 V500 I501 Y506	I499-I503 HydrophobicContact CG2-CD1 3.89Å; I499-I503 VanDerWaalsContact O-CG1 3.29Å; I499-I503 WeakPolarHBondContact O-CG1 3.45Å; I499-I503 PolarHBondContact O-N 3.05Å; I499-I503 VanDerWaalsContact O-N 3.08Å; V500-I503 PolarHBondContact O-N 3.01Å; I501-I503 VanDerWaalsContact C-N 3.34Å; I501-I503 PolarHBondContact O-N 2.88Å; I503-Y506 PolarHBondContact O-N 3.15Å
504	L	52.7	Low	52.1	Low	118 Å²	118	130.7 Å²	130.7	62%	0.618	64%	0.641	S	S	*	*	H	α-helix	trans	-69.9	-37.5	176.2	-75.4	168.6	0	0	0	112.4	V500 I501 Y506 K507	V500-L504 HydrophobicContact CG1-CD1 3.96Å; V500-L504 WeakPolarHBondContact O-CB 3.29Å; V500-L504 WeakPolarHBondContact O-CG 3.36Å; V500-L504 PolarHBondContact O-N 3.06Å; I501-L504 PolarHBondContact O-N 2.9Å; L504-Y506 VanDerWaalsContact C-N 3.28Å; L504-Y506 PolarHBondContact O-N 3.26Å; L504-K507 PolarHBondContact O-N 3.08Å
505	L	52.2	Low	50.2	Low	138 Å²	138	130.3 Å²	130.3	72%	0.723	65%	0.646	S	S	*	*	H	α-helix	trans	-69.9	-23.8	176.6	-71.7	170.8	0	0	0	113	I501	I501-L505 HydrophobicContact CG2-CD1 3.92Å; I501-L505 HydrophobicContact CG2-CG 4.47Å; I501-L505 WeakPolarHBondContact O-CG 3.44Å; I501-L505 PolarHBondContact O-N 3Å
506	Y	45.9	Very low	48.5	Very low	218 Å²	218	131.8 Å²	131.8	86%	0.855	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-5.5	-179.2	-150.8	-98.1	0	0	0	114	A502 I503 L504	A502-Y506 PolarHBondContact O-N 3.43Å; I503-Y506 PolarHBondContact O-N 3.15Å; L504-Y506 VanDerWaalsContact C-N 3.28Å; L504-Y506 PolarHBondContact O-N 3.26Å
507	K	38.3	Very low	46.4	Very low	186 Å²	186	132 Å²	132	81%	0.809	66%	0.661	S	S	*	*	S	Bend	trans	-119.9	9.6	-170.2	-124.6	-177.1	178.7	178.5	0	117.7	L504	L504-K507 PolarHBondContact O-N 3.08Å
508	S	35.3	Very low	44.3	Very low	97 Å²	97	136.5 Å²	136.5	68%	0.678	68%	0.68	S	S	*	*			trans	-120.7	70.5	177.6	73.7	0	0	0	0	115
509	K	35.4	Very low	42.3	Very low	201 Å²	201	136.7 Å²	136.7	87%	0.874	69%	0.687	S	S	*	*				55.5	176.6	121.2	-114.9	-163.8	-179.3	-177.8	0	119.9
510	P	45.2	Very low	40.1	Very low	95 Å²	95	144.2 Å²	144.2	62%	0.617	71%	0.71	S	S	*	*				-124.8	-173.6	-122.8	40.2	-19.3	0	0	0	116
511	D	30	Very low	38.1	Very low	145 Å²	145	150.8 Å²	150.8	78%	0.775	73%	0.733	S	S	*	*			trans	75.1	134	145.9	-89	-32.1	0	0	0	124.7
512	R	30	Very low	36	Very low	214 Å²	214	150.1 Å²	150.1	81%	0.808	75%	0.748	S	S	*	*			trans	78.4	112.5	143.5	-78.7	174.9	91.7	164.6	4.3	123.6
513	K	28.8	Very low	34.5	Very low	180 Å²	180	153 Å²	153	78%	0.783	77%	0.765	S	S	*	*				53.2	135	113.9	-79.5	-174.3	175.1	177	0	122.9
514	R	28.9	Very low	33	Very low	245 Å²	245	155.6 Å²	155.6	93%	0.925	78%	0.779	S	S	*	*			trans	69.1	148.1	144.8	-92	-174.4	172.7	172.3	-4.3	116.5
515	A	28.1	Very low	32.1	Very low	70 Å²	70	156 Å²	156	58%	0.579	79%	0.788	S	S	*	*			cis	-168.1	162.1	2.3	0	0	0	0	0	108.9
516	E	28.6	Very low	30.8	Very low	176 Å²	176	156.8 Å²	156.8	82%	0.822	79%	0.793	S	S	*	*			trans	62.7	144.1	146.2	-72.3	166.2	-171.8	0	0	119
517	T	26.6	Very low	29.8	Very low	110 Å²	110	151.9 Å²	151.9	68%	0.675	79%	0.791	S	S	*	*			cis	-170.6	141.6	42.2	-21.2	0	0	0	0	110.5
518	E	27.8	Very low	29.5	Very low	185 Å²	185	152.7 Å²	152.7	86%	0.864	80%	0.795	S	S	*	*			trans	43	154.5	136.7	-71.4	-172.9	162.1	0	0	123.1
519	A	26.7	Very low	28.9	Very low	80 Å²	80	157.5 Å²	157.5	66%	0.661	81%	0.806	S	S	*	*			cis	-178.2	157.2	-7.6	0	0	0	0	0	108.7
520	R	26.3	Very low	28.6	Very low	241 Å²	241	156.4 Å²	156.4	91%	0.909	81%	0.807	S	S	*	*			trans	158.6	101.8	135.9	-88.5	171.4	-178.4	-170.3	0.7	109.7
521	K	26.7	Very low	28	Very low	213 Å²	213	156.8 Å²	156.8	93%	0.926	81%	0.809	S	S	*	*				47.5	108.3	92.9	-77.6	-170.5	177.8	180	0	112.7
522	G	24.2	Very low	28.1	Very low	75 Å²	75	157.3 Å²	157.3	77%	0.773	81%	0.811	S	S	*	*				128.1	151.7	79.4	0	0	0	0	0	105.5
523	S	25.3	Very low	28.2	Very low	120 Å²	120	156.1 Å²	156.1	84%	0.839	81%	0.814	S	S	*	*			cis	-177	151	24.6	35.5	0	0	0	0	107.3
524	L	29.1	Very low	28.4	Very low	160 Å²	160	155.2 Å²	155.2	84%	0.838	81%	0.812	S	S	*	*			trans	-66.9	163.4	168.8	-75.3	151.7	0	0	0	112.1
525	P	34.4	Very low	28.4	Very low	127 Å²	127	146.5 Å²	146.5	83%	0.825	79%	0.788	S	S	*	*				-143.2	162.7	100.1	33.7	-15.7	0	0	0	116.6
526	N	25.8	Very low	28.8	Very low	155 Å²	155	149.7 Å²	149.7	83%	0.829	80%	0.8	S	S	*	*			trans	-59.6	148.6	178.3	-86.8	-20.8	0	0	0	116.3
527	S	23.8	Very low	29.3	Very low	115 Å²	115	144.8 Å²	144.8	80%	0.804	78%	0.779	S	S	*	*				-174.7	128.9	116.1	55.5	0	0	0	0	113.7
528	K	31.2	Very low	29.8	Very low	203 Å²	203	143.5 Å²	143.5	88%	0.883	77%	0.773	S	S	*	*			trans	8.2	124	156.7	-67.4	177.3	174.6	179.2	0	120.1
529	E	23.3	Very low	30.4	Very low	197 Å²	197	137.9 Å²	137.9	92%	0.921	75%	0.751	S	S	*	*				-178.7	135.1	124.2	-101.7	173.1	-177.8	0	0	111
530	M	29.9	Very low	31.2	Very low	179 Å²	179	138.3 Å²	138.3	88%	0.882	74%	0.74	S	S	*	*			trans	-81.2	147.9	159.7	-104.6	163	59.7	0	0	107
531	P	31.9	Very low	31.6	Very low	103 Å²	103	131.5 Å²	131.5	67%	0.669	72%	0.721	S	S	*	*				-154.7	179.8	58.4	33.7	-8.9	0	0	0	117
532	L	32.8	Very low	32.5	Very low	155 Å²	155	127.2 Å²	127.2	81%	0.812	70%	0.698	S	S	*	*			trans	67.7	90.8	161.3	-75.2	134.8	0	0	0	117.8	H534	L532-H534 PolarHBondContact O-N 3.31Å
533	H	31.8	Very low	33.4	Very low	189 Å²	189	129.2 Å²	129.2	88%	0.875	68%	0.683	S	S	*	*			trans	-86.6	110.6	166.5	-93.4	-70.7	0	0	0	111.4
534	H	32.3	Very low	33.9	Very low	161 Å²	161	129.2 Å²	129.2	75%	0.745	67%	0.673	S	S	*	*			trans	-63.8	138.5	149.7	-70.1	-33.3	0	0	0	109.7	L532 T536	L532-H534 PolarHBondContact O-N 3.31Å; H534-T536 PolarHBondContact O-N 3.12Å
535	P	30.7	Very low	34.2	Very low	63 Å²	63	128 Å²	128	41%	0.409	67%	0.667	S	S	.	*			trans	-74.4	124.9	178	27.9	-30.6	0	0	0	110.8	E540	P535-E540 HydrophobicContact CB-CB 4.39Å; P535-E540 WeakPolarHBondContact CB-OE2 3.38Å
536	T	35	Very low	34.7	Very low	137 Å²	137	127.6 Å²	127.6	84%	0.84	65%	0.652	S	S	*	*			trans	-92.4	6.8	176.5	24.2	0	0	0	0	113.2	H534 P538	H534-T536 PolarHBondContact O-N 3.12Å; T536-P538 WeakPolarHBondContact O-CD 3.09Å
537	D	39	Very low	35.1	Very low	73 Å²	73	125 Å²	125	39%	0.39	64%	0.636	S	S	.	*			trans	-88	118	-179.9	-172.1	-10.4	0	0	0	111.6	V539 E540 L541	D537-V539 PolarHBondContact O-N 3.13Å; D537-V539 VanDerWaalsContact O-N 3.11Å; D537-V539 WeakPolarHBondContact OD1-CB 3.06Å; D537-V539 PolarHBondContact OD1-N 3.42Å; D537-E540 HydrophobicContact CB-CB 4.31Å; D537-E540 HydrophobicContact CB-CG 4.24Å; D537-E540 PolarHBondContact O-N 3.01Å; D537-E540 VanDerWaalsContact O-N 3.15Å; D537-L541 PolarHBondContact O-N 2.8Å
538	P	37.4	Very low	35.5	Very low	83 Å²	83	124.3 Å²	124.3	54%	0.539	63%	0.627	S	S	.	*	H	α-helix	trans	-60.7	-15.3	175.3	22.4	-31.1	0	0	0	114.5	T536	T536-P538 WeakPolarHBondContact O-CD 3.09Å
539	V	41.5	Very low	35.8	Very low	67 Å²	67	120.9 Å²	120.9	41%	0.406	63%	0.625	S	S	.	*	H	α-helix	trans	-81.1	-39.5	174.2	-178.8	0	0	0	0	111.6	D537 R542 R543	D537-V539 PolarHBondContact O-N 3.13Å; D537-V539 VanDerWaalsContact O-N 3.11Å; D537-V539 WeakPolarHBondContact OD1-CB 3.06Å; D537-V539 PolarHBondContact OD1-N 3.42Å; V539-R542 PolarHBondContact O-N 3.11Å; V539-R543 WeakPolarHBondContact O-CG 3.3Å; V539-R543 PolarHBondContact O-N 2.95Å
540	E	43.3	Very low	36	Very low	89 Å²	89	115.1 Å²	115.1	42%	0.416	62%	0.618	S	S	.	*	H	α-helix	trans	-68.6	-35.9	175.6	-72.8	-159.6	154.3	0	0	112.4	P535 D537 R542 R543	P535-E540 HydrophobicContact CB-CB 4.39Å; P535-E540 WeakPolarHBondContact CB-OE2 3.38Å; D537-E540 HydrophobicContact CB-CB 4.31Å; D537-E540 HydrophobicContact CB-CG 4.24Å; D537-E540 PolarHBondContact O-N 3.01Å; D537-E540 VanDerWaalsContact O-N 3.15Å; E540-R542 VanDerWaalsContact C-N 3.28Å; E540-R542 PolarHBondContact O-N 2.83Å; E540-R543 PolarHBondContact O-N 3.39Å
541	L	34.9	Very low	36.3	Very low	98 Å²	98	112.9 Å²	112.9	51%	0.513	62%	0.62	S	S	.	*	H	α-helix	trans	-65.7	-26.9	177.4	-77.5	159.6	0	0	0	113.2	D537	D537-L541 PolarHBondContact O-N 2.8Å
542	R	45.6	Very low	36	Very low	122 Å²	122	111.6 Å²	111.6	46%	0.46	63%	0.625	S	S	.	*	H	α-helix	trans	-89.3	-23.8	174.2	-68.8	-175.3	-152.2	170.9	9.9	113.6	V539 E540 L544 N545 F546 H561	V539-R542 PolarHBondContact O-N 3.11Å; E540-R542 VanDerWaalsContact C-N 3.28Å; E540-R542 PolarHBondContact O-N 2.83Å; R542-L544 PolarHBondContact O-N 3Å; R542-N545 PolarHBondContact O-N 3.38Å; R542-N545 VanDerWaalsContact O-N 3.15Å; R542-F546 WeakPolarHBondContact O-CD2 3.32Å; R542-H561 PolarHBondContact NH1-CD2 2.78Å; R542-H561 PolarHBondContact NH1-NE2 3.28Å
543	R	42.2	Very low	35.7	Very low	118 Å²	118	109.1 Å²	109.1	45%	0.445	63%	0.628	S	S	.	*	H	α-helix	trans	-61.8	-24.5	174.4	-79.8	172.7	172.9	173.5	-1.1	113	V539 E540	V539-R543 WeakPolarHBondContact O-CG 3.3Å; V539-R543 PolarHBondContact O-N 2.95Å; E540-R543 PolarHBondContact O-N 3.39Å
544	L	35.6	Very low	36.3	Very low	120 Å²	120	106 Å²	106	63%	0.628	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-23.7	175.3	-78.4	156.1	0	0	0	114.1	R542 F546	R542-L544 PolarHBondContact O-N 3Å; L544-F546 VanDerWaalsContact C-N 3.33Å; L544-F546 PolarHBondContact O-N 2.9Å
545	N	36.4	Very low	36	Very low	134 Å²	134	103.6 Å²	103.6	72%	0.717	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-7.1	-175.6	-73.2	-19.7	0	0	0	114.3	R542 Q547	R542-N545 PolarHBondContact O-N 3.38Å; R542-N545 VanDerWaalsContact O-N 3.15Å; N545-Q547 PolarHBondContact O-N 3.35Å
546	F	43.5	Very low	35.8	Very low	118 Å²	118	109.4 Å²	109.4	52%	0.518	65%	0.646	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.5	6.8	175.4	-72.4	-79.4	0	0	0	113.4	R542 L544 M565	R542-F546 WeakPolarHBondContact O-CD2 3.32Å; L544-F546 VanDerWaalsContact C-N 3.33Å; L544-F546 PolarHBondContact O-N 2.9Å; F546-M565 HydrophobicContact CE1-CE 3.84Å; F546-M565 HydrophobicContact CE1-SD 3.78Å; F546-M565 HydrophobicContact CZ-SD 4.33Å
547	Q	35.6	Very low	35.8	Very low	102 Å²	102	107.4 Å²	107.4	48%	0.477	64%	0.636	S	S	.	*	S	Bend	trans	-124.9	72.7	-179	-62.6	-176.4	0.7	0	0	111	N545	N545-Q547 PolarHBondContact O-N 3.35Å
548	T	31.8	Very low	35.2	Very low	100 Å²	100	109.4 Å²	109.4	61%	0.613	66%	0.655	S	S	*	*			trans	66.1	138.8	168.3	20.8	0	0	0	0	119.2
549	P	37.8	Very low	34.9	Very low	131 Å²	131	112.2 Å²	112.2	85%	0.851	67%	0.666	S	S	*	*			trans	-88.3	127.6	170.3	32.9	-27.8	0	0	0	111.8
550	G	27.1	Very low	34.5	Very low	75 Å²	75	117 Å²	117	77%	0.773	69%	0.688	S	S	*	*			trans	-110.8	135.9	168.5	0	0	0	0	0	111.1
551	S	35.9	Very low	34.1	Very low	133 Å²	133	117 Å²	117	93%	0.93	69%	0.689	S	S	*	*			trans	-51.1	130.9	-175.8	48.9	0	0	0	0	116.7
552	G	26.3	Very low	34.1	Very low	75 Å²	75	119.2 Å²	119.2	77%	0.773	70%	0.7	S	S	*	*			trans	154.7	95	156.6	0	0	0	0	0	116.7
553	A	25.8	Very low	33.7	Very low	104 Å²	104	117 Å²	117	86%	0.86	70%	0.703	S	S	*	*			trans	45.8	156.6	150.2	0	0	0	0	0	122.8
554	P	44.5	Very low	33.6	Very low	122 Å²	122	114.3 Å²	114.3	79%	0.792	70%	0.702	S	S	*	*			trans	-105.2	152.3	-141.9	39	-34.3	0	0	0	116.4
555	S	25.6	Very low	34	Very low	111 Å²	111	111.8 Å²	111.8	78%	0.776	69%	0.688	S	S	*	*			trans	-169.8	120.9	142.8	44.8	0	0	0	0	115.1
556	H	27.4	Very low	34.7	Very low	185 Å²	185	108.8 Å²	108.8	86%	0.856	68%	0.682	S	S	*	*			trans	63.9	149.4	149.8	-75	-47.9	0	0	0	124.2
557	P	33.8	Very low	35.9	Very low	96 Å²	96	108.7 Å²	108.7	62%	0.623	69%	0.687	S	S	*	*			trans	-108.9	137	-134.4	37.5	-28.1	0	0	0	114.5
558	S	28.2	Very low	38.4	Very low	114 Å²	114	106.1 Å²	106.1	80%	0.797	68%	0.675	S	S	*	*			trans	-133.8	85.5	160.1	40.1	0	0	0	0	108.8	L560	S558-L560 PolarHBondContact O-N 2.82Å
559	N	29.9	Very low	41.3	Very low	142 Å²	142	105.5 Å²	105.5	76%	0.759	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	22.4	-152.9	-105.8	-3.4	0	0	0	116.9
560	L	32.7	Very low	44	Very low	168 Å²	168	102 Å²	102	88%	0.88	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	-20.3	-177.6	-82.4	153.7	0	0	0	114.9	S558	S558-L560 PolarHBondContact O-N 2.82Å
561	H	35.8	Very low	47.3	Very low	90 Å²	90	99.3 Å²	99.3	42%	0.417	62%	0.617	S	S	.	*	S	Bend	trans	-95.5	-15	-172	-149.6	-70.3	0	0	0	114.5	R542	R542-H561 PolarHBondContact NH1-CD2 2.78Å; R542-H561 PolarHBondContact NH1-NE2 3.28Å
562	L	35.1	Very low	50.2	Low	143 Å²	143	95.3 Å²	95.3	75%	0.749	59%	0.588	S	S	*	*	S	Bend	trans	-83.2	-11.9	178.1	-116.2	83.2	0	0	0	113.4	A566	L562-A566 WeakPolarHBondContact O-CB 3.37Å; L562-A566 PolarHBondContact O-N 2.94Å
563	S	37.5	Very low	53.5	Low	76 Å²	76	93.6 Å²	93.6	53%	0.531	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.6	-29.8	-165.4	-179	0	0	0	0	115.3
564	S	40.4	Very low	56.6	Low	61 Å²	61	97.1 Å²	97.1	43%	0.427	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87	-39.5	-179.2	88.5	0	0	0	0	112.3	A566 N567	S564-A566 VanDerWaalsContact C-N 3.26Å; S564-A566 PolarHBondContact O-N 3.14Å; S564-N567 PolarHBondContact O-N 2.94Å; S564-N567 VanDerWaalsContact O-N 3.16Å
565	M	42	Very low	58.9	Low	68 Å²	68	96.2 Å²	96.2	34%	0.335	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-69.7	-22.6	175	-63.1	-163.4	112.6	0	0	113	F546 N567	F546-M565 HydrophobicContact CE1-CE 3.84Å; F546-M565 HydrophobicContact CE1-SD 3.78Å; F546-M565 HydrophobicContact CZ-SD 4.33Å; M565-N567 PolarHBondContact O-N 2.69Å
566	A	51.6	Low	62.1	Low	70 Å²	70	91 Å²	91	58%	0.579	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-67.9	-19.5	172.4	0	0	0	0	0	113.4	L562 S564	L562-A566 WeakPolarHBondContact O-CB 3.37Å; L562-A566 PolarHBondContact O-N 2.94Å; S564-A566 VanDerWaalsContact C-N 3.26Å; S564-A566 PolarHBondContact O-N 3.14Å
567	N	70.1	Confident	65.1	Low	116 Å²	116	83.6 Å²	83.6	62%	0.62	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-87.4	-18.5	-176.6	-69.5	-13.6	0	0	0	113.8	S564 M565	S564-N567 PolarHBondContact O-N 2.94Å; S564-N567 VanDerWaalsContact O-N 3.16Å; M565-N567 PolarHBondContact O-N 2.69Å
568	H	87.9	Confident	67.7	Low	49 Å²	49	83.7 Å²	83.7	23%	0.227	48%	0.476	C	S	.	.	S	Bend	trans	-127.3	77.3	177.5	-62.6	-89.6	0	0	0	110.1	E594 Y816	H568-E594 IonicContact CE1-OE2 3.33Å; H568-E594 IonicContact ND1-OE2 3.11Å; H568-E594 PolarHBondContact ND1-OE2 2.82Å; H568-Y816 HydrophobicContact CB-CD1 3.54Å; H568-Y816 HydrophobicContact CB-CD2 4.41Å; H568-Y816 HydrophobicContact CB-CE1 3.99Å; H568-Y816 HydrophobicContact CB-CG 3.77Å; H568-Y816 AromaticContact CD2-CE1 3.81Å; H568-Y816 AromaticContact CD2-CE2 3.97Å; H568-Y816 AromaticContact CD2-CZ 3.68Å; H568-Y816 AromaticContact CG-CD1 3.96Å; H568-Y816 AromaticContact CG-CG 3.98Å
569	P	91.8	Very high	70.7	Confident	87 Å²	87	79.6 Å²	79.6	57%	0.565	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-69.9	158.8	-178	30.1	-35.8	0	0	0	112.2	I571	P569-I571 PolarHBondContact O-N 2.92Å
570	P	95	Very high	73.6	Confident	58 Å²	58	72.9 Å²	72.9	38%	0.377	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-54.6	138.5	171.1	-25.4	34.5	0	0	0	112.4	V813 D814	P570-V813 CarbonylContact C-O 3.56Å; P570-V813 WeakPolarHBondContact CA-O 3.37Å; P570-D814 HydrophobicContact CB-CB 4.22Å; P570-D814 HydrophobicContact CG-CB 4.27Å
571	I	96.7	Very high	76.3	Confident	17 Å²	17	71.4 Å²	71.4	9%	0.087	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.2	-175.7	-55.3	150.1	0	0	0	108.9	P569 L576 H579 T812 V813	P569-I571 PolarHBondContact O-N 2.92Å; I571-L576 HydrophobicContact CG2-CB 4.44Å; I571-L576 HydrophobicContact CG2-CD1 4.21Å; I571-H579 VanDerWaalsContact CD1-CD2 3.4Å; I571-H579 WeakPolarHBondContact CD1-CD2 3.28Å; I571-H579 VanDerWaalsContact CD1-NE2 3.27Å; I571-H579 WeakPolarHBondContact CD1-NE2 3.07Å; I571-H579 HydrophobicContact CG2-CB 4.02Å; I571-T812 CarbonylContact O-C 3.55Å; I571-T812 VanDerWaalsContact O-CA 3.24Å; I571-T812 WeakPolarHBondContact O-CA 3.17Å; I571-V813 HydrophobicContact CB-CG2 3.94Å; I571-V813 HydrophobicContact CD1-CG2 4.27Å; I571-V813 PolarHBondContact N-O 3.19Å; I571-V813 PolarHBondContact O-N 2.63Å
572	P	96.7	Very high	78.7	Confident	50 Å²	50	73.3 Å²	73.3	33%	0.325	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	138.8	170	-22.2	33.9	0	0	0	111.4	M574 E575 L576	P572-M574 PolarHBondContact O-N 3.31Å; P572-M574 VanDerWaalsContact O-N 3.08Å; P572-E575 HydrophobicContact CB-CG 4.45Å; P572-E575 PolarHBondContact O-N 3.3Å; P572-L576 PolarHBondContact O-N 3.13Å
573	I	94.7	Very high	81.2	Confident	38 Å²	38	67 Å²	67	20%	0.195	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.3	-177.9	60.7	175.2	0	0	0	113.7	E575 L576 I807 K811 V847	I573-E575 VanDerWaalsContact C-N 3.32Å; I573-L576 WeakPolarHBondContact O-CB 3.28Å; I573-I807 HydrophobicContact CG2-CD1 4.49Å; I573-I807 HydrophobicContact CG2-CG1 3.89Å; I573-I807 HydrophobicContact CG2-CG2 4.15Å; I573-K811 HydrophobicContact CD1-CB 4Å; I573-K811 HydrophobicContact CD1-CD 3.78Å; I573-K811 HydrophobicContact CD1-CG 4.47Å; I573-K811 HydrophobicContact CG1-CB 4.22Å; I573-K811 WeakPolarHBondContact CG1-O 3.46Å; I573-K811 WeakPolarHBondContact CG2-O 3.39Å; I573-K811 PolarHBondContact N-O 2.89Å; I573-V847 HydrophobicContact CB-CG1 4.1Å; I573-V847 HydrophobicContact CB-CG2 4.2Å; I573-V847 HydrophobicContact CG2-CG2 4Å
574	M	91.7	Very high	83.5	Confident	178 Å²	178	67 Å²	67	88%	0.877	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-29.4	176.3	-66.1	179.9	124.7	0	0	112.2	P572	P572-M574 PolarHBondContact O-N 3.31Å; P572-M574 VanDerWaalsContact O-N 3.08Å
575	E	93.3	Very high	85.3	Confident	104 Å²	104	66.2 Å²	66.2	49%	0.486	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-3	180	-63.2	178.1	-163.2	0	0	112.4	P572 I573 A577 D578 H579	P572-E575 HydrophobicContact CB-CG 4.45Å; P572-E575 PolarHBondContact O-N 3.3Å; I573-E575 VanDerWaalsContact C-N 3.32Å; E575-A577 VanDerWaalsContact C-N 3.27Å; E575-A577 PolarHBondContact O-N 3.42Å; E575-D578 PolarHBondContact O-N 3.06Å; E575-H579 VanDerWaalsContact O-CB 3.24Å; E575-H579 WeakPolarHBondContact O-CB 3.37Å; E575-H579 PolarHBondContact O-N 2.79Å
576	L	92.5	Very high	87.1	Confident	2 Å²	2	69.4 Å²	69.4	1%	0.01	37%	0.374	C	S	.	.	H	α-helix	trans	-60.2	-37.9	-173.9	-178.8	58.3	0	0	0	112	I571 P572 I573 V580 V813 L843 Q844 V847	I571-L576 HydrophobicContact CG2-CB 4.44Å; I571-L576 HydrophobicContact CG2-CD1 4.21Å; P572-L576 PolarHBondContact O-N 3.13Å; I573-L576 WeakPolarHBondContact O-CB 3.28Å; L576-V580 HydrophobicContact CD1-CG2 4.14Å; L576-V580 VanDerWaalsContact O-CG2 3.28Å; L576-V580 WeakPolarHBondContact O-CG2 3.33Å; L576-V580 PolarHBondContact O-N 3.46Å; L576-V813 HydrophobicContact CD1-CG2 3.81Å; L576-V813 HydrophobicContact CD2-CG2 4.38Å; L576-L843 HydrophobicContact CD2-CB 4.36Å; L576-Q844 HydrophobicContact CD2-CB 4.34Å; L576-Q844 HydrophobicContact CG-CB 4.4Å; L576-V847 HydrophobicContact CD2-CG2 4.08Å
577	A	89.4	Confident	88.4	Confident	29 Å²	29	73.4 Å²	73.4	24%	0.24	39%	0.385	C	S	.	.	H	α-helix	trans	-65.5	-52.2	179.3	0	0	0	0	0	112.2	E575 H579 V580 E581 Q844	E575-A577 VanDerWaalsContact C-N 3.27Å; E575-A577 PolarHBondContact O-N 3.42Å; A577-H579 VanDerWaalsContact C-N 3.25Å; A577-H579 PolarHBondContact O-N 3.17Å; A577-V580 PolarHBondContact O-N 2.97Å; A577-E581 PolarHBondContact O-N 3.14Å; A577-Q844 VanDerWaalsContact CA-NE2 3.28Å
578	D	89.8	Confident	88.9	Confident	97 Å²	97	70 Å²	70	52%	0.519	37%	0.367	S	S	.	.	H	α-helix	trans	-64.2	-32.6	178.5	-59	-10.7	0	0	0	111.8	E575 R582	E575-D578 PolarHBondContact O-N 3.06Å; D578-R582 WeakPolarHBondContact O-CB 3.41Å; D578-R582 VanDerWaalsContact O-CG 3.27Å; D578-R582 WeakPolarHBondContact O-CG 2.87Å; D578-R582 PolarHBondContact O-N 3.14Å; D578-R582 VanDerWaalsContact O-N 3.08Å; D578-R582 PolarHBondContact O-NE 3.11Å; D578-R582 VanDerWaalsContact O-NE 3.15Å
579	H	91.1	Very high	88.5	Confident	29 Å²	29	71.7 Å²	71.7	13%	0.134	38%	0.378	C	S	.	.	H	α-helix	trans	-64.4	-49.5	173.4	-177.8	83.5	0	0	0	111.5	I571 E575 A577 E581 R582 L583	I571-H579 VanDerWaalsContact CD1-CD2 3.4Å; I571-H579 WeakPolarHBondContact CD1-CD2 3.28Å; I571-H579 VanDerWaalsContact CD1-NE2 3.27Å; I571-H579 WeakPolarHBondContact CD1-NE2 3.07Å; I571-H579 HydrophobicContact CG2-CB 4.02Å; E575-H579 VanDerWaalsContact O-CB 3.24Å; E575-H579 WeakPolarHBondContact O-CB 3.37Å; E575-H579 PolarHBondContact O-N 2.79Å; A577-H579 VanDerWaalsContact C-N 3.25Å; A577-H579 PolarHBondContact O-N 3.17Å; H579-E581 PolarHBondContact O-N 3.24Å; H579-R582 PolarHBondContact O-N 3.03Å; H579-L583 VanDerWaalsContact NE2-CD1 3.27Å; H579-L583 WeakPolarHBondContact NE2-CD1 3.46Å; H579-L583 WeakPolarHBondContact O-CG 3.28Å; H579-L583 PolarHBondContact O-N 3.44Å
580	V	90.8	Very high	88	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.006	37%	0.372	C	S	.	.	H	α-helix	trans	-62.1	-42.7	178.1	171.5	0	0	0	0	111.3	L576 A577 R582 L583 K584 H840	L576-V580 HydrophobicContact CD1-CG2 4.14Å; L576-V580 VanDerWaalsContact O-CG2 3.28Å; L576-V580 WeakPolarHBondContact O-CG2 3.33Å; L576-V580 PolarHBondContact O-N 3.46Å; A577-V580 PolarHBondContact O-N 2.97Å; V580-R582 PolarHBondContact O-N 3.47Å; V580-L583 PolarHBondContact O-N 3.47Å; V580-K584 HydrophobicContact CG1-CD 4.13Å; V580-K584 HydrophobicContact CG1-CG 4.32Å; V580-K584 WeakPolarHBondContact O-CG 3.2Å; V580-K584 PolarHBondContact O-N 2.95Å; V580-H840 HydrophobicContact CG2-CB 3.93Å
581	E	88.2	Confident	87.9	Confident	136 Å²	136	69.7 Å²	69.7	64%	0.636	35%	0.354	S	S	*	.	H	α-helix	trans	-61.4	-43	176.3	-73.2	-167.8	161.1	0	0	112.3	A577 H579 L583 K584 A585	A577-E581 PolarHBondContact O-N 3.14Å; H579-E581 PolarHBondContact O-N 3.24Å; E581-L583 VanDerWaalsContact C-N 3.28Å; E581-L583 PolarHBondContact O-N 2.84Å; E581-K584 PolarHBondContact O-N 3.38Å; E581-A585 PolarHBondContact O-N 3.1Å
582	R	87.2	Confident	87.4	Confident	130 Å²	130	70.2 Å²	70.2	49%	0.491	36%	0.359	S	S	.	.	H	α-helix	trans	-62.5	-34.3	174.7	-77	-178.8	-67.2	145.9	-8.5	112.9	D578 H579 V580	D578-R582 WeakPolarHBondContact O-CB 3.41Å; D578-R582 VanDerWaalsContact O-CG 3.27Å; D578-R582 WeakPolarHBondContact O-CG 2.87Å; D578-R582 PolarHBondContact O-N 3.14Å; D578-R582 VanDerWaalsContact O-N 3.08Å; D578-R582 PolarHBondContact O-NE 3.11Å; D578-R582 VanDerWaalsContact O-NE 3.15Å; H579-R582 PolarHBondContact O-N 3.03Å; V580-R582 PolarHBondContact O-N 3.47Å
583	L	86.9	Confident	86.9	Confident	11 Å²	11	73 Å²	73	6%	0.058	37%	0.368	C	S	.	.	H	α-helix	trans	-73.8	-36.7	176.5	-70.4	-174.1	0	0	0	112.5	H579 V580 E581 A585 K590 F591	H579-L583 VanDerWaalsContact NE2-CD1 3.27Å; H579-L583 WeakPolarHBondContact NE2-CD1 3.46Å; H579-L583 WeakPolarHBondContact O-CG 3.28Å; H579-L583 PolarHBondContact O-N 3.44Å; V580-L583 PolarHBondContact O-N 3.47Å; E581-L583 VanDerWaalsContact C-N 3.28Å; E581-L583 PolarHBondContact O-N 2.84Å; L583-A585 VanDerWaalsContact C-N 3.31Å; L583-K590 HydrophobicContact CD2-CB 3.58Å; L583-F591 VanDerWaalsContact C-CD2 3.49Å; L583-F591 HydrophobicContact CB-CD1 4.05Å; L583-F591 HydrophobicContact CB-CD2 3.5Å; L583-F591 VanDerWaalsContact CB-CD2 3.5Å; L583-F591 HydrophobicContact CB-CE1 3.99Å; L583-F591 HydrophobicContact CB-CE2 3.43Å; L583-F591 VanDerWaalsContact CB-CE2 3.43Å; L583-F591 HydrophobicContact CB-CG 3.8Å; L583-F591 HydrophobicContact CB-CZ 3.68Å; L583-F591 HydrophobicContact CD1-CD1 3.78Å; L583-F591 HydrophobicContact CD1-CE1 3.41Å; L583-F591 VanDerWaalsContact CD1-CE1 3.41Å; L583-F591 HydrophobicContact CD1-CE2 4.35Å; L583-F591 HydrophobicContact CD1-CG 4.37Å; L583-F591 HydrophobicContact CD1-CZ 3.73Å; L583-F591 HydrophobicContact CG-CD1 4.49Å; L583-F591 HydrophobicContact CG-CE1 4.36Å; L583-F591 HydrophobicContact CG-CZ 4.39Å; L583-F591 WeakPolarHBondContact O-CD2 3.3Å
584	K	85.6	Confident	86.8	Confident	75 Å²	75	71.9 Å²	71.9	33%	0.326	36%	0.362	S	S	.	.	H	α-helix	trans	-72.1	-21.5	176.3	-69.6	-170.4	168.8	173.5	0	114	V580 E581 N588 F591 D841	V580-K584 HydrophobicContact CG1-CD 4.13Å; V580-K584 HydrophobicContact CG1-CG 4.32Å; V580-K584 WeakPolarHBondContact O-CG 3.2Å; V580-K584 PolarHBondContact O-N 2.95Å; E581-K584 PolarHBondContact O-N 3.38Å; K584-N588 WeakPolarHBondContact CA-OD1 3.09Å; K584-N588 PolarHBondContact O-N 2.65Å; K584-N588 VanDerWaalsContact O-N 3.11Å; K584-F591 HydrophobicContact CG-CD2 4.07Å; K584-F591 HydrophobicContact CG-CE2 3.6Å; K584-D841 WeakPolarHBondContact CE-OD1 3.24Å; K584-D841 IonicContact NZ-OD1 3.51Å; K584-D841 PolarHBondContact NZ-OD1 2.76Å; K584-D841 IonicContact NZ-OD2 2.92Å; K584-D841 PolarHBondContact NZ-OD2 2.81Å
585	A	78.4	Confident	86.9	Confident	45 Å²	45	64.8 Å²	64.8	37%	0.372	33%	0.325	S	S	.	.	H	α-helix	trans	-55.6	148.6	179.6	0	0	0	0	0	112	E581 L583 D587	E581-A585 PolarHBondContact O-N 3.1Å; L583-A585 VanDerWaalsContact C-N 3.31Å; A585-D587 PolarHBondContact O-N 2.93Å
586	N	79.6	Confident	86.8	Confident	136 Å²	136	67.3 Å²	67.3	73%	0.727	34%	0.337	S	S	*	.	H	α-helix	trans	55.2	48.6	-179.9	-52.2	-35.2	0	0	0	113.2	L589	N586-L589 HydrophobicContact CB-CB 4.22Å; N586-L589 WeakPolarHBondContact O-CB 3.4Å; N586-L589 PolarHBondContact O-N 2.88Å
587	D	79.2	Confident	86.8	Confident	153 Å²	153	69.5 Å²	69.5	82%	0.818	35%	0.353	S	S	*	.	H	α-helix	trans	58.2	49.9	178.4	-157.9	30.9	0	0	0	112.8	A585 L589	A585-D587 PolarHBondContact O-N 2.93Å; D587-L589 PolarHBondContact O-N 3.12Å
588	N	80.1	Confident	87	Confident	45 Å²	45	68.6 Å²	68.6	24%	0.241	34%	0.344	C	S	.	.	H	α-helix	trans	62.7	17.7	179.9	-57.6	-41.2	0	0	0	115.6	K584 K590 F591 S592	K584-N588 WeakPolarHBondContact CA-OD1 3.09Å; K584-N588 PolarHBondContact O-N 2.65Å; K584-N588 VanDerWaalsContact O-N 3.11Å; N588-K590 VanDerWaalsContact C-N 3.27Å; N588-K590 PolarHBondContact O-N 3.2Å; N588-K590 VanDerWaalsContact O-N 3.07Å; N588-F591 HydrophobicContact CB-CB 4Å; N588-F591 HydrophobicContact CB-CD2 4.4Å; N588-F591 WeakPolarHBondContact O-CA 3.4Å; N588-F591 VanDerWaalsContact O-CB 3.24Å; N588-F591 WeakPolarHBondContact O-CB 3.35Å; N588-F591 PolarHBondContact O-N 2.77Å; N588-S592 PolarHBondContact O-N 2.98Å; N588-S592 PolarHBondContact O-OG 2.93Å
589	L	79.7	Confident	87	Confident	84 Å²	84	68.8 Å²	68.8	44%	0.44	35%	0.345	S	S	.	.	H	α-helix	trans	-48	-45.3	-176.1	177.2	63.8	0	0	0	114.1	N586 D587 S592 Q593	N586-L589 HydrophobicContact CB-CB 4.22Å; N586-L589 WeakPolarHBondContact O-CB 3.4Å; N586-L589 PolarHBondContact O-N 2.88Å; D587-L589 PolarHBondContact O-N 3.12Å; L589-S592 PolarHBondContact O-N 3.13Å; L589-Q593 VanDerWaalsContact O-CG 3.31Å; L589-Q593 WeakPolarHBondContact O-CG 3.48Å; L589-Q593 PolarHBondContact O-N 2.83Å; L589-Q593 VanDerWaalsContact O-N 3.08Å
590	K	82.6	Confident	86.7	Confident	104 Å²	104	68.8 Å²	68.8	45%	0.452	35%	0.347	S	S	.	.	H	α-helix	trans	-74.8	-30.6	179.9	-70.7	-174	-179	175.2	0	112.4	L583 N588 E594	L583-K590 HydrophobicContact CD2-CB 3.58Å; N588-K590 VanDerWaalsContact C-N 3.27Å; N588-K590 PolarHBondContact O-N 3.2Å; N588-K590 VanDerWaalsContact O-N 3.07Å; K590-E594 WeakPolarHBondContact O-CB 3.38Å; K590-E594 PolarHBondContact O-N 3.47Å
591	F	91.6	Very high	86.3	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-61.4	-46.4	170	-97.4	-53.3	0	0	0	111.1	L583 K584 N588 E594 Y595 Y836 V837 H840	L583-F591 VanDerWaalsContact C-CD2 3.49Å; L583-F591 HydrophobicContact CB-CD1 4.05Å; L583-F591 HydrophobicContact CB-CD2 3.5Å; L583-F591 VanDerWaalsContact CB-CD2 3.5Å; L583-F591 HydrophobicContact CB-CE1 3.99Å; L583-F591 HydrophobicContact CB-CE2 3.43Å; L583-F591 VanDerWaalsContact CB-CE2 3.43Å; L583-F591 HydrophobicContact CB-CG 3.8Å; L583-F591 HydrophobicContact CB-CZ 3.68Å; L583-F591 HydrophobicContact CD1-CD1 3.78Å; L583-F591 HydrophobicContact CD1-CE1 3.41Å; L583-F591 VanDerWaalsContact CD1-CE1 3.41Å; L583-F591 HydrophobicContact CD1-CE2 4.35Å; L583-F591 HydrophobicContact CD1-CG 4.37Å; L583-F591 HydrophobicContact CD1-CZ 3.73Å; L583-F591 HydrophobicContact CG-CD1 4.49Å; L583-F591 HydrophobicContact CG-CE1 4.36Å; L583-F591 HydrophobicContact CG-CZ 4.39Å; L583-F591 WeakPolarHBondContact O-CD2 3.3Å; K584-F591 HydrophobicContact CG-CD2 4.07Å; K584-F591 HydrophobicContact CG-CE2 3.6Å; N588-F591 HydrophobicContact CB-CB 4Å; N588-F591 HydrophobicContact CB-CD2 4.4Å; N588-F591 WeakPolarHBondContact O-CA 3.4Å; N588-F591 VanDerWaalsContact O-CB 3.24Å; N588-F591 WeakPolarHBondContact O-CB 3.35Å; N588-F591 PolarHBondContact O-N 2.77Å; F591-E594 PolarHBondContact O-N 3.39Å; F591-Y595 VanDerWaalsContact O-CB 3.26Å; F591-Y595 WeakPolarHBondContact O-CB 3.49Å; F591-Y595 PolarHBondContact O-N 3.41Å; F591-Y836 AromaticContact CD1-CD1 3.99Å; F591-Y836 HydrophobicContact CD1-CD1 3.99Å; F591-Y836 HydrophobicContact CD1-CE1 4.18Å; F591-Y836 HydrophobicContact CE1-CD1 4.3Å; F591-Y836 HydrophobicContact CE1-CE1 4.38Å; F591-V837 HydrophobicContact CB-CG2 4.24Å; F591-V837 HydrophobicContact CD1-CG2 3.98Å; F591-V837 HydrophobicContact CD2-CG2 3.84Å; F591-V837 HydrophobicContact CE1-CG2 4.29Å; F591-V837 HydrophobicContact CE2-CG1 4.17Å; F591-V837 HydrophobicContact CE2-CG2 4.14Å; F591-V837 HydrophobicContact CG-CG2 3.77Å; F591-V837 HydrophobicContact CZ-CG1 4.44Å; F591-V837 HydrophobicContact CZ-CG2 4.38Å; F591-H840 HydrophobicContact CE1-CB 4.31Å; F591-H840 AromaticContact CE1-CD2 3.89Å; F591-H840 AromaticContact CE1-CE1 3.77Å; F591-H840 AromaticContact CE1-CG 3.68Å; F591-H840 AromaticContact CE1-ND1 3.59Å; F591-H840 AromaticContact CE1-NE2 3.97Å; F591-H840 HydrophobicContact CZ-CB 3.99Å; F591-H840 AromaticContact CZ-CG 3.81Å
592	S	87.4	Confident	86.2	Confident	27 Å²	27	69.4 Å²	69.4	19%	0.189	36%	0.364	C	S	.	.	H	α-helix	trans	-61.8	-47.3	178.4	-39.2	0	0	0	0	110.9	N588 L589 E594 Y595 E596 E833	N588-S592 PolarHBondContact O-N 2.98Å; N588-S592 PolarHBondContact O-OG 2.93Å; L589-S592 PolarHBondContact O-N 3.13Å; S592-E594 PolarHBondContact O-N 2.85Å; S592-Y595 PolarHBondContact O-N 2.89Å; S592-E596 WeakPolarHBondContact O-CB 3.48Å; S592-E596 VanDerWaalsContact O-CG 3.3Å; S592-E596 WeakPolarHBondContact O-CG 3.41Å; S592-E596 PolarHBondContact O-N 2.77Å; S592-E833 PolarHBondContact N-OE1 3.03Å; S592-E833 VanDerWaalsContact OG-CD 3.28Å; S592-E833 PolarHBondContact OG-OE1 2.77Å; S592-E833 PolarHBondContact OG-OE2 2.86Å
593	Q	85.6	Confident	86.1	Confident	109 Å²	109	72.5 Å²	72.5	51%	0.509	38%	0.384	S	S	.	.	H	α-helix	trans	-59.3	-46	177.2	-72.9	172.8	-5.6	0	0	112.6	L589 S597	L589-Q593 VanDerWaalsContact O-CG 3.31Å; L589-Q593 WeakPolarHBondContact O-CG 3.48Å; L589-Q593 PolarHBondContact O-N 2.83Å; L589-Q593 VanDerWaalsContact O-N 3.08Å; Q593-S597 WeakPolarHBondContact O-CB 3.26Å; Q593-S597 PolarHBondContact O-N 3.02Å
594	E	91.9	Very high	86.5	Confident	14 Å²	14	73.3 Å²	73.3	7%	0.065	39%	0.387	C	S	.	.	H	α-helix	trans	-63.7	-47.5	178	-178.8	170.2	114.8	0	0	111	H568 K590 F591 S592 E596 S597 Y816 Y836	H568-E594 IonicContact CE1-OE2 3.33Å; H568-E594 IonicContact ND1-OE2 3.11Å; H568-E594 PolarHBondContact ND1-OE2 2.82Å; K590-E594 WeakPolarHBondContact O-CB 3.38Å; K590-E594 PolarHBondContact O-N 3.47Å; F591-E594 PolarHBondContact O-N 3.39Å; S592-E594 PolarHBondContact O-N 2.85Å; E594-E596 PolarHBondContact O-N 2.91Å; E594-S597 PolarHBondContact O-N 3.31Å; E594-S597 PolarHBondContact O-OG 2.96Å; E594-Y816 HydrophobicContact CG-CD2 3.59Å; E594-Y816 HydrophobicContact CG-CE2 4.08Å; E594-Y836 HydrophobicContact CG-CE1 4.28Å; E594-Y836 WeakPolarHBondContact OE1-CE1 3.43Å; E594-Y836 PolarHBondContact OE1-OH 3.4Å
595	Y	94.4	Very high	86.9	Confident	29 Å²	29	73.2 Å²	73.2	11%	0.114	39%	0.393	C	S	.	.	H	α-helix	trans	-62.8	-42.2	-178.7	178.1	-103.7	0	0	0	113.1	F591 S592 S597 I598 R823 V830 Q831 T832 E833 Y836	F591-Y595 VanDerWaalsContact O-CB 3.26Å; F591-Y595 WeakPolarHBondContact O-CB 3.49Å; F591-Y595 PolarHBondContact O-N 3.41Å; S592-Y595 PolarHBondContact O-N 2.89Å; Y595-S597 VanDerWaalsContact C-N 3.27Å; Y595-S597 PolarHBondContact O-N 3.01Å; Y595-I598 HydrophobicContact CD2-CD1 3.89Å; Y595-I598 HydrophobicContact CE2-CD1 4.45Å; Y595-I598 WeakPolarHBondContact O-CB 3.33Å; Y595-I598 WeakPolarHBondContact O-CG1 3.23Å; Y595-I598 PolarHBondContact O-N 2.84Å; Y595-R823 VanDerWaalsContact CE2-NH2 3.34Å; Y595-R823 VanDerWaalsContact CZ-NH2 3.31Å; Y595-R823 PolarHBondContact OH-NH2 2.78Å; Y595-V830 HydrophobicContact CE2-CG1 4.42Å; Y595-V830 PolarHBondContact OH-O 3.09Å; Y595-Q831 PolarHBondContact OH-O 3.11Å; Y595-T832 PolarHBondContact OH-N 2.75Å; Y595-E833 HydrophobicContact CD1-CB 4.12Å; Y595-E833 HydrophobicContact CE1-CB 4.47Å; Y595-E833 HydrophobicContact CG-CB 4.45Å; Y595-Y836 HydrophobicContact CD2-CD1 4.25Å; Y595-Y836 HydrophobicContact CD2-CD2 4.02Å; Y595-Y836 AromaticContact CD2-CG 3.73Å; Y595-Y836 HydrophobicContact CD2-CG 3.73Å; Y595-Y836 HydrophobicContact CE2-CG 4.49Å
596	E	91.8	Very high	87.8	Confident	157 Å²	157	76.2 Å²	76.2	73%	0.734	40%	0.395	S	S	*	.	H	α-helix	trans	-67	-28.5	176.9	-73.4	-179.8	173.4	0	0	112.4	S592 E594 I598	S592-E596 WeakPolarHBondContact O-CB 3.48Å; S592-E596 VanDerWaalsContact O-CG 3.3Å; S592-E596 WeakPolarHBondContact O-CG 3.41Å; S592-E596 PolarHBondContact O-N 2.77Å; E594-E596 PolarHBondContact O-N 2.91Å; E596-I598 VanDerWaalsContact C-N 3.25Å; E596-I598 PolarHBondContact O-N 2.82Å
597	S	92.1	Very high	88.6	Confident	48 Å²	48	76.3 Å²	76.3	34%	0.336	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-6.5	179	80.9	0	0	0	0	114.6	Q593 E594 Y595 D599 Y816	Q593-S597 WeakPolarHBondContact O-CB 3.26Å; Q593-S597 PolarHBondContact O-N 3.02Å; E594-S597 PolarHBondContact O-N 3.31Å; E594-S597 PolarHBondContact O-OG 2.96Å; Y595-S597 VanDerWaalsContact C-N 3.27Å; Y595-S597 PolarHBondContact O-N 3.01Å; S597-D599 PolarHBondContact O-N 3.37Å; S597-Y816 PolarHBondContact O-OH 2.88Å; S597-Y816 VanDerWaalsContact O-OH 3.14Å; S597-Y816 VanDerWaalsContact OG-CE2 3.3Å; S597-Y816 WeakPolarHBondContact OG-CE2 3.32Å; S597-Y816 PolarHBondContact OG-OH 3.47Å
598	I	92.4	Very high	89.4	Confident	10 Å²	10	71.8 Å²	71.8	5%	0.051	37%	0.365	C	S	.	.			trans	-69.6	101.8	-177.4	-59.6	172.8	0	0	0	110.3	Y595 E596 Y816 V819 R823 Y836	Y595-I598 HydrophobicContact CD2-CD1 3.89Å; Y595-I598 HydrophobicContact CE2-CD1 4.45Å; Y595-I598 WeakPolarHBondContact O-CB 3.33Å; Y595-I598 WeakPolarHBondContact O-CG1 3.23Å; Y595-I598 PolarHBondContact O-N 2.84Å; E596-I598 VanDerWaalsContact C-N 3.25Å; E596-I598 PolarHBondContact O-N 2.82Å; I598-Y816 HydrophobicContact CB-CE2 4.47Å; I598-Y816 HydrophobicContact CG1-CD2 3.83Å; I598-Y816 HydrophobicContact CG1-CE2 3.58Å; I598-V819 HydrophobicContact CD1-CB 4.4Å; I598-V819 HydrophobicContact CD1-CG1 3.89Å; I598-V819 HydrophobicContact CG2-CG1 4.16Å; I598-R823 PolarHBondContact O-NH1 2.89Å; I598-Y836 HydrophobicContact CD1-CD2 4.21Å; I598-Y836 HydrophobicContact CD1-CE2 3.79Å
599	D	89.9	Confident	90.2	Very high	102 Å²	102	69.7 Å²	69.7	55%	0.545	35%	0.354	S	S	.	.			trans	-129.7	121.2	176.9	-177.7	10.4	0	0	0	110.8	S597 G601	S597-D599 PolarHBondContact O-N 3.37Å; D599-G601 PolarHBondContact O-N 3.24Å; D599-G601 PolarHBondContact OD1-N 2.84Å
600	P	85.5	Confident	91	Very high	28 Å²	28	69.2 Å²	69.2	18%	0.182	35%	0.352	C	S	.	.			trans	-66.7	-12.8	173.3	29	-36.1	0	0	0	113.5	Q602 F604 R823 A824	P600-Q602 VanDerWaalsContact C-N 3.29Å; P600-Q602 PolarHBondContact O-N 3.06Å; P600-F604 HydrophobicContact CB-CE2 4.23Å; P600-F604 HydrophobicContact CB-CZ 4.09Å; P600-F604 HydrophobicContact CG-CE2 3.8Å; P600-F604 HydrophobicContact CG-CZ 4.18Å; P600-R823 HydrophobicContact CG-CB 4.41Å; P600-A824 HydrophobicContact CB-CB 3.84Å
601	G	81.9	Confident	91.6	Very high	53 Å²	53	68.2 Å²	68.2	55%	0.546	35%	0.351	S	S	.	.			trans	69	22.1	171.8	0	0	0	0	0	114.6	D599	D599-G601 PolarHBondContact O-N 3.24Å; D599-G601 PolarHBondContact OD1-N 2.84Å
602	Q	85.6	Confident	91.8	Very high	97 Å²	97	75 Å²	75	45%	0.453	38%	0.382	S	S	.	.	S	Bend	trans	-139	153.8	-176.1	-64.7	178.5	16.1	0	0	111.2	P600 F604	P600-Q602 VanDerWaalsContact C-N 3.29Å; P600-Q602 PolarHBondContact O-N 3.06Å; Q602-F604 HydrophobicContact CB-CE1 3.88Å; Q602-F604 HydrophobicContact CB-CE2 4.38Å; Q602-F604 HydrophobicContact CB-CZ 3.67Å; Q602-F604 WeakPolarHBondContact O-CE2 3.32Å
603	Q	86.4	Confident	92.2	Very high	195 Å²	195	77.2 Å²	77.2	91%	0.911	40%	0.395	S	S	*	.			trans	-94.4	140.7	171.7	-67.1	-173.1	-6.6	0	0	110.2
604	F	94.2	Very high	92.8	Very high	28 Å²	28	72 Å²	72	12%	0.123	37%	0.37	C	S	.	.			trans	-124.5	155.4	-179.1	-50.8	-69.1	0	0	0	110.5	P600 Q602 W606 Y626 H628 A824	P600-F604 HydrophobicContact CB-CE2 4.23Å; P600-F604 HydrophobicContact CB-CZ 4.09Å; P600-F604 HydrophobicContact CG-CE2 3.8Å; P600-F604 HydrophobicContact CG-CZ 4.18Å; Q602-F604 HydrophobicContact CB-CE1 3.88Å; Q602-F604 HydrophobicContact CB-CE2 4.38Å; Q602-F604 HydrophobicContact CB-CZ 3.67Å; Q602-F604 WeakPolarHBondContact O-CE2 3.32Å; F604-W606 WeakPolarHBondContact O-CZ3 3.48Å; F604-Y626 HydrophobicContact CB-CD1 3.72Å; F604-Y626 HydrophobicContact CB-CD2 4.12Å; F604-Y626 HydrophobicContact CB-CE1 3.83Å; F604-Y626 HydrophobicContact CB-CE2 4.21Å; F604-Y626 HydrophobicContact CB-CG 3.88Å; F604-Y626 HydrophobicContact CD1-CD2 4.47Å; F604-Y626 HydrophobicContact CD2-CD2 4.17Å; F604-Y626 HydrophobicContact CD2-CE1 4.25Å; F604-Y626 AromaticContact CD2-CE2 3.59Å; F604-Y626 HydrophobicContact CD2-CE2 3.59Å; F604-Y626 AromaticContact CD2-CZ 3.63Å; F604-Y626 HydrophobicContact CE2-CE2 4.12Å; F604-Y626 HydrophobicContact CG-CD1 4.42Å; F604-Y626 AromaticContact CG-CD2 3.99Å; F604-Y626 HydrophobicContact CG-CD2 3.99Å; F604-Y626 HydrophobicContact CG-CE1 4.35Å; F604-Y626 AromaticContact CG-CE2 3.88Å; F604-Y626 HydrophobicContact CG-CE2 3.88Å; F604-Y626 HydrophobicContact CG-CG 4.26Å; F604-H628 AromaticContact CD1-CE1 3.48Å; F604-H628 VanDerWaalsContact CD1-CE1 3.48Å; F604-H628 WeakPolarHBondContact CD1-CE1 3.27Å; F604-H628 AromaticContact CD1-ND1 3.87Å; F604-H628 AromaticContact CE1-CE1 3.86Å; F604-A824 HydrophobicContact CE1-CB 4.33Å; F604-A824 WeakPolarHBondContact CE1-O 3.43Å; F604-A824 HydrophobicContact CZ-CB 3.85Å
605	T	94.7	Very high	93	Very high	74 Å²	74	75.7 Å²	75.7	45%	0.454	39%	0.386	S	S	.	.			trans	-108.5	157.8	173.3	64.9	0	0	0	0	110.7	Y626 D627	T605-Y626 WeakPolarHBondContact O-CA 3.42Å; T605-D627 VanDerWaalsContact CB-OD2 3.23Å; T605-D627 WeakPolarHBondContact CB-OD2 3.23Å; T605-D627 PolarHBondContact O-N 3.46Å; T605-D627 PolarHBondContact OG1-OD2 3.42Å
606	W	96.4	Very high	93	Very high	108 Å²	108	78.6 Å²	78.6	41%	0.409	41%	0.409	S	S	.	.			trans	-145.9	38.6	179	50.6	83	0	0	0	111.2	F604 H608 S609 N610 I624 Y626 D627	F604-W606 WeakPolarHBondContact O-CZ3 3.48Å; W606-H608 VanDerWaalsContact C-N 3.32Å; W606-H608 PolarHBondContact O-N 2.82Å; W606-S609 WeakPolarHBondContact O-CB 3.44Å; W606-S609 PolarHBondContact O-N 3.14Å; W606-N610 PolarHBondContact NE1-ND2 2.78Å; W606-N610 PolarHBondContact O-N 2.86Å; W606-I624 HydrophobicContact CB-CB 4.26Å; W606-I624 HydrophobicContact CB-CD1 3.46Å; W606-I624 VanDerWaalsContact CB-CD1 3.46Å; W606-I624 HydrophobicContact CB-CG1 3.78Å; W606-I624 HydrophobicContact CD2-CD1 4.09Å; W606-I624 HydrophobicContact CD2-CG1 4.28Å; W606-I624 HydrophobicContact CE3-CD1 4.19Å; W606-I624 HydrophobicContact CG-CD1 3.8Å; W606-I624 HydrophobicContact CG-CG1 3.81Å; W606-Y626 HydrophobicContact CE3-CD1 4.07Å; W606-Y626 AromaticContact CE3-CE1 3.95Å; W606-Y626 HydrophobicContact CE3-CE1 3.95Å; W606-Y626 HydrophobicContact CZ3-CE1 4.29Å; W606-D627 WeakPolarHBondContact CA-OD2 3.5Å; W606-D627 PolarHBondContact N-OD2 3.37Å
607	E	96.9	Very high	93.3	Very high	137 Å²	137	72.4 Å²	72.4	64%	0.64	38%	0.379	S	S	*	.	H	α-helix	trans	-58.3	-43.5	-174.2	-64.1	-176.8	171.1	0	0	111.4	S609 N610 L611 D627	E607-S609 VanDerWaalsContact C-N 3.31Å; E607-S609 PolarHBondContact O-N 2.77Å; E607-N610 PolarHBondContact O-N 3.42Å; E607-L611 PolarHBondContact O-N 2.9Å; E607-D627 PolarHBondContact N-OD1 3.45Å; E607-D627 PolarHBondContact N-OD2 2.83Å
608	H	97.1	Very high	93.5	Very high	59 Å²	59	70.9 Å²	70.9	27%	0.273	37%	0.368	S	S	.	.	H	α-helix	trans	-66.3	-34.9	-179.3	-64.1	84.8	0	0	0	112.3	W606 N610 L611 N614 D627 R630 Y644	W606-H608 VanDerWaalsContact C-N 3.32Å; W606-H608 PolarHBondContact O-N 2.82Å; H608-N610 PolarHBondContact O-N 2.81Å; H608-L611 PolarHBondContact O-N 2.84Å; H608-N614 VanDerWaalsContact O-CB 3.3Å; H608-N614 WeakPolarHBondContact O-CB 3.43Å; H608-N614 PolarHBondContact O-ND2 3.14Å; H608-D627 IonicContact CE1-OD1 2.79Å; H608-D627 IonicContact CG-OD1 2.75Å; H608-D627 PolarHBondContact N-OD1 3.29Å; H608-D627 VanDerWaalsContact N-OD1 3.16Å; H608-D627 IonicContact ND1-OD1 2.91Å; H608-D627 PolarHBondContact ND1-OD1 3.4Å; H608-R630 PolarHBondContact CD2-NH2 2.77Å; H608-R630 PolarHBondContact NE2-NH2 3.38Å; H608-Y644 HydrophobicContact CB-CD2 3.91Å; H608-Y644 HydrophobicContact CB-CE2 4.22Å
609	S	95.6	Very high	93.6	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-66.6	-25.7	175.4	-61.4	0	0	0	0	112.3	W606 E607 N618 A625 Y644	W606-S609 WeakPolarHBondContact O-CB 3.44Å; W606-S609 PolarHBondContact O-N 3.14Å; E607-S609 VanDerWaalsContact C-N 3.31Å; E607-S609 PolarHBondContact O-N 2.77Å; S609-N618 PolarHBondContact O-ND2 3.27Å; S609-A625 PolarHBondContact OG-N 3.06Å; S609-A625 PolarHBondContact OG-O 2.82Å; S609-Y644 WeakPolarHBondContact CA-OH 3.48Å; S609-Y644 VanDerWaalsContact CB-OH 3.24Å; S609-Y644 WeakPolarHBondContact CB-OH 3.3Å; S609-Y644 WeakPolarHBondContact OG-CE2 3.41Å; S609-Y644 PolarHBondContact OG-OH 2.82Å
610	N	96.3	Very high	93.8	Very high	75 Å²	75	70.2 Å²	70.2	40%	0.401	36%	0.357	S	S	.	.	H	α-helix	trans	-95.7	-5.4	-177.5	-89	-11	0	0	0	114.7	W606 E607 H608 E612 K615	W606-N610 PolarHBondContact NE1-ND2 2.78Å; W606-N610 PolarHBondContact O-N 2.86Å; E607-N610 PolarHBondContact O-N 3.42Å; H608-N610 PolarHBondContact O-N 2.81Å; N610-E612 PolarHBondContact O-N 3.43Å; N610-K615 VanDerWaalsContact O-CE 3.23Å; N610-K615 WeakPolarHBondContact O-CE 3.18Å
611	L	95.8	Very high	94.1	Very high	83 Å²	83	73.2 Å²	73.2	44%	0.435	39%	0.385	S	S	.	.	S	Bend	trans	-58.4	135.4	172.1	-66.3	176.1	0	0	0	109.8	E607 H608 V613 N614 K615	E607-L611 PolarHBondContact O-N 2.9Å; H608-L611 PolarHBondContact O-N 2.84Å; L611-V613 HydrophobicContact CB-CG1 4.31Å; L611-V613 PolarHBondContact O-N 3.18Å; L611-V613 VanDerWaalsContact O-N 3.11Å; L611-N614 HydrophobicContact CB-CB 4.28Å; L611-N614 WeakPolarHBondContact O-CA 3.32Å; L611-N614 PolarHBondContact O-N 3.34Å; L611-K615 PolarHBondContact O-N 2.98Å
612	E	96.1	Very high	94.4	Very high	141 Å²	141	75.7 Å²	75.7	66%	0.659	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-36.4	-176.4	-70.4	-60.5	147.9	0	0	112.8	N610 N614 K615 P616	N610-E612 PolarHBondContact O-N 3.43Å; E612-N614 VanDerWaalsContact C-N 3.3Å; E612-N614 PolarHBondContact O-N 2.87Å; E612-K615 IonicContact OE1-NZ 3.26Å; E612-K615 PolarHBondContact OE1-NZ 2.68Å; E612-K615 IonicContact OE2-NZ 2.78Å; E612-P616 WeakPolarHBondContact O-CD 3.16Å
613	V	96.2	Very high	94.8	Very high	74 Å²	74	71.2 Å²	71.2	45%	0.448	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-23.6	176.8	67.7	0	0	0	0	113.6	L611	L611-V613 HydrophobicContact CB-CG1 4.31Å; L611-V613 PolarHBondContact O-N 3.18Å; L611-V613 VanDerWaalsContact O-N 3.11Å
614	N	97.4	Very high	95.3	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-21.9	-177.5	-70.1	-18.7	0	0	0	113.1	H608 L611 E612 P616 K617 G641 Y644	H608-N614 VanDerWaalsContact O-CB 3.3Å; H608-N614 WeakPolarHBondContact O-CB 3.43Å; H608-N614 PolarHBondContact O-ND2 3.14Å; L611-N614 HydrophobicContact CB-CB 4.28Å; L611-N614 WeakPolarHBondContact O-CA 3.32Å; L611-N614 PolarHBondContact O-N 3.34Å; E612-N614 VanDerWaalsContact C-N 3.3Å; E612-N614 PolarHBondContact O-N 2.87Å; N614-P616 VanDerWaalsContact C-CD 3.47Å; N614-P616 VanDerWaalsContact C-N 3.34Å; N614-K617 WeakPolarHBondContact O-CA 3.37Å; N614-K617 VanDerWaalsContact O-CB 3.22Å; N614-K617 WeakPolarHBondContact O-CB 3.28Å; N614-K617 PolarHBondContact O-N 2.84Å; N614-G641 PolarHBondContact OD1-O 2.51Å; N614-Y644 HydrophobicContact CB-CD1 3.65Å; N614-Y644 HydrophobicContact CB-CE1 3.94Å; N614-Y644 HydrophobicContact CB-CG 4.03Å; N614-Y644 VanDerWaalsContact ND2-CB 3.32Å; N614-Y644 WeakPolarHBondContact ND2-CB 3.42Å
615	K	95.3	Very high	95.5	Very high	91 Å²	91	61.2 Å²	61.2	40%	0.396	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-51.2	-44.3	178.4	-75.2	179.4	-179.8	172.2	0	113.5	N610 L611 E612 K617 N618	N610-K615 VanDerWaalsContact O-CE 3.23Å; N610-K615 WeakPolarHBondContact O-CE 3.18Å; L611-K615 PolarHBondContact O-N 2.98Å; E612-K615 IonicContact OE1-NZ 3.26Å; E612-K615 PolarHBondContact OE1-NZ 2.68Å; E612-K615 IonicContact OE2-NZ 2.78Å; K615-K617 PolarHBondContact O-N 3.48Å; K615-N618 WeakPolarHBondContact O-CB 3.4Å; K615-N618 PolarHBondContact O-N 3.13Å; K615-N618 VanDerWaalsContact O-N 3.12Å
616	P	96.1	Very high	95.7	Very high	91 Å²	91	59.1 Å²	59.1	59%	0.591	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-66.2	-17.8	177.1	-21	34.4	0	0	0	114	E612 N614 N618 L666	E612-P616 WeakPolarHBondContact O-CD 3.16Å; N614-P616 VanDerWaalsContact C-CD 3.47Å; N614-P616 VanDerWaalsContact C-N 3.34Å; P616-N618 PolarHBondContact O-N 2.78Å; P616-L666 WeakPolarHBondContact O-CD1 3.39Å
617	K	97.7	Very high	95.7	Very high	26 Å²	26	55.1 Å²	55.1	11%	0.113	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-78.3	-5.6	176.4	-52.8	-174.6	179	-162	0	112.3	N614 K615 G641 Y644 Q663 T669 E672	N614-K617 WeakPolarHBondContact O-CA 3.37Å; N614-K617 VanDerWaalsContact O-CB 3.22Å; N614-K617 WeakPolarHBondContact O-CB 3.28Å; N614-K617 PolarHBondContact O-N 2.84Å; K615-K617 PolarHBondContact O-N 3.48Å; K617-G641 PolarHBondContact NZ-O 3.42Å; K617-Y644 HydrophobicContact CB-CD1 4.28Å; K617-Y644 HydrophobicContact CB-CE1 4.22Å; K617-Y644 HydrophobicContact CD-CD1 4.05Å; K617-Q663 PolarHBondContact O-NE2 2.99Å; K617-T669 HydrophobicContact CB-CG2 3.77Å; K617-T669 HydrophobicContact CG-CG2 4.08Å; K617-E672 IonicContact NZ-OE1 3.12Å; K617-E672 PolarHBondContact NZ-OE1 2.93Å
618	N	95.9	Very high	95.7	Very high	17 Å²	17	53.3 Å²	53.3	9%	0.091	28%	0.281	C	S	.	.			trans	-99	119	177.6	-60.4	-36.5	0	0	0	110.5	S609 K615 P616 Y620 Y644 N646	S609-N618 PolarHBondContact O-ND2 3.27Å; K615-N618 WeakPolarHBondContact O-CB 3.4Å; K615-N618 PolarHBondContact O-N 3.13Å; K615-N618 VanDerWaalsContact O-N 3.12Å; P616-N618 PolarHBondContact O-N 2.78Å; N618-Y620 PolarHBondContact O-N 3.05Å; N618-Y644 PolarHBondContact OD1-OH 3.36Å; N618-N646 PolarHBondContact OD1-ND2 3.39Å
619	R	94.9	Very high	95.8	Very high	42 Å²	42	51.1 Å²	51.1	16%	0.158	27%	0.272	C	S	.	.	S	Bend	trans	-62.1	-33.1	176.6	-178.3	176.3	-68	-82.7	2.6	111.8	G664 A665 L666 D700	R619-G664 PolarHBondContact NE-O 2.81Å; R619-G664 PolarHBondContact NH2-O 2.57Å; R619-A665 PolarHBondContact NH2-O 2.85Å; R619-L666 HydrophobicContact CB-CD1 4.36Å; R619-L666 HydrophobicContact CB-CD2 4.19Å; R619-L666 HydrophobicContact CB-CG 4.35Å; R619-L666 HydrophobicContact CG-CD2 4.21Å; R619-D700 IonicContact CZ-OD2 2.94Å; R619-D700 IonicContact NH1-OD2 2.94Å; R619-D700 PolarHBondContact NH1-OD2 3.37Å; R619-D700 IonicContact NH2-OD2 3.64Å; R619-D700 PolarHBondContact NH2-OD2 3.08Å
620	Y	93	Very high	95.9	Very high	55 Å²	55	51.8 Å²	51.8	22%	0.216	27%	0.274	C	S	.	.	S	Bend	trans	-131.2	123.4	177	-59.2	-77.2	0	0	0	109.6	N618 N622 V623 S788 A789	N618-Y620 PolarHBondContact O-N 3.05Å; Y620-N622 PolarHBondContact O-N 3.28Å; Y620-V623 PolarHBondContact O-N 2.93Å; Y620-V623 VanDerWaalsContact O-O 3.13Å; Y620-S788 VanDerWaalsContact CE2-OG 3.26Å; Y620-S788 WeakPolarHBondContact CE2-OG 3.46Å; Y620-S788 PolarHBondContact OH-OG 3.25Å; Y620-A789 HydrophobicContact CD2-CB 3.73Å; Y620-A789 HydrophobicContact CE2-CB 3.83Å
621	A	91.9	Very high	96	Very high	92 Å²	92	48.2 Å²	48.2	76%	0.76	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-27.4	-178.9	0	0	0	0	0	113.2
622	N	88.8	Confident	96.1	Very high	104 Å²	104	49 Å²	49	56%	0.556	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-1.9	177.1	66.5	-46.7	0	0	0	113.8	Y620 N827 Y828	Y620-N622 PolarHBondContact O-N 3.28Å; N622-N827 PolarHBondContact O-ND2 2.58Å; N622-Y828 WeakPolarHBondContact O-CE2 3.06Å
623	V	95.3	Very high	96.2	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.024	23%	0.23	C	C	.	.			trans	-117.2	101.4	175.8	-174	0	0	0	0	109.2	Y620 N646 A789 V791	Y620-V623 PolarHBondContact O-N 2.93Å; Y620-V623 VanDerWaalsContact O-O 3.13Å; V623-N646 PolarHBondContact O-ND2 3.19Å; V623-A789 HydrophobicContact CB-CB 4.48Å; V623-A789 HydrophobicContact CG1-CB 4.22Å; V623-A789 HydrophobicContact CG2-CB 4.12Å; V623-V791 HydrophobicContact CG1-CG1 3.77Å
624	I	96.6	Very high	96.2	Very high	13 Å²	13	42.6 Å²	42.6	7%	0.067	23%	0.233	C	C	.	.			trans	-115.1	167.8	-172	54.5	63.7	0	0	0	111.3	W606 Y626 N827	W606-I624 HydrophobicContact CB-CB 4.26Å; W606-I624 HydrophobicContact CB-CD1 3.46Å; W606-I624 VanDerWaalsContact CB-CD1 3.46Å; W606-I624 HydrophobicContact CB-CG1 3.78Å; W606-I624 HydrophobicContact CD2-CD1 4.09Å; W606-I624 HydrophobicContact CD2-CG1 4.28Å; W606-I624 HydrophobicContact CE3-CD1 4.19Å; W606-I624 HydrophobicContact CG-CD1 3.8Å; W606-I624 HydrophobicContact CG-CG1 3.81Å; I624-Y626 HydrophobicContact CD1-CD1 3.62Å; I624-Y626 HydrophobicContact CD1-CE1 3.76Å; I624-N827 PolarHBondContact O-OD1 3Å
625	A	97.8	Very high	96.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.262	C	S	.	.			trans	-96.5	126.9	169.2	0	0	0	0	0	110.2	S609 R630 N648	S609-A625 PolarHBondContact OG-N 3.06Å; S609-A625 PolarHBondContact OG-O 2.82Å; A625-R630 HydrophobicContact CB-CB 4.07Å; A625-N648 VanDerWaalsContact CA-OD1 3.32Å; A625-N648 WeakPolarHBondContact CA-OD1 3.25Å; A625-N648 WeakPolarHBondContact CB-OD1 3.32Å
626	Y	98.1	Very high	96	Very high	29 Å²	29	44.8 Å²	44.8	11%	0.114	26%	0.259	C	S	.	.			trans	-65.8	138.2	170.8	-65.9	-30.7	0	0	0	111	F604 T605 W606 I624 H628 S629 R630 N648 N827	F604-Y626 HydrophobicContact CB-CD1 3.72Å; F604-Y626 HydrophobicContact CB-CD2 4.12Å; F604-Y626 HydrophobicContact CB-CE1 3.83Å; F604-Y626 HydrophobicContact CB-CE2 4.21Å; F604-Y626 HydrophobicContact CB-CG 3.88Å; F604-Y626 HydrophobicContact CD1-CD2 4.47Å; F604-Y626 HydrophobicContact CD2-CD2 4.17Å; F604-Y626 HydrophobicContact CD2-CE1 4.25Å; F604-Y626 AromaticContact CD2-CE2 3.59Å; F604-Y626 HydrophobicContact CD2-CE2 3.59Å; F604-Y626 AromaticContact CD2-CZ 3.63Å; F604-Y626 HydrophobicContact CE2-CE2 4.12Å; F604-Y626 HydrophobicContact CG-CD1 4.42Å; F604-Y626 AromaticContact CG-CD2 3.99Å; F604-Y626 HydrophobicContact CG-CD2 3.99Å; F604-Y626 HydrophobicContact CG-CE1 4.35Å; F604-Y626 AromaticContact CG-CE2 3.88Å; F604-Y626 HydrophobicContact CG-CE2 3.88Å; F604-Y626 HydrophobicContact CG-CG 4.26Å; T605-Y626 WeakPolarHBondContact O-CA 3.42Å; W606-Y626 HydrophobicContact CE3-CD1 4.07Å; W606-Y626 AromaticContact CE3-CE1 3.95Å; W606-Y626 HydrophobicContact CE3-CE1 3.95Å; W606-Y626 HydrophobicContact CZ3-CE1 4.29Å; I624-Y626 HydrophobicContact CD1-CD1 3.62Å; I624-Y626 HydrophobicContact CD1-CE1 3.76Å; Y626-H628 PolarHBondContact O-N 3.11Å; Y626-S629 PolarHBondContact O-N 3.37Å; Y626-R630 WeakPolarHBondContact O-CB 3.13Å; Y626-R630 PolarHBondContact O-N 3.16Å; Y626-N648 PolarHBondContact N-ND2 3.29Å; Y626-N648 PolarHBondContact O-ND2 2.78Å; Y626-N648 VanDerWaalsContact O-ND2 3.1Å; Y626-N827 HydrophobicContact CE1-CB 4.09Å; Y626-N827 HydrophobicContact CE2-CB 4.36Å; Y626-N827 WeakPolarHBondContact OH-CB 3.33Å
627	D	97	Very high	95.9	Very high	25 Å²	25	48.1 Å²	48.1	13%	0.134	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-38.8	-170.3	-66	-49.3	0	0	0	113.3	T605 W606 E607 H608 S629 R630	T605-D627 VanDerWaalsContact CB-OD2 3.23Å; T605-D627 WeakPolarHBondContact CB-OD2 3.23Å; T605-D627 PolarHBondContact O-N 3.46Å; T605-D627 PolarHBondContact OG1-OD2 3.42Å; W606-D627 WeakPolarHBondContact CA-OD2 3.5Å; W606-D627 PolarHBondContact N-OD2 3.37Å; E607-D627 PolarHBondContact N-OD1 3.45Å; E607-D627 PolarHBondContact N-OD2 2.83Å; H608-D627 IonicContact CE1-OD1 2.79Å; H608-D627 IonicContact CG-OD1 2.75Å; H608-D627 PolarHBondContact N-OD1 3.29Å; H608-D627 VanDerWaalsContact N-OD1 3.16Å; H608-D627 IonicContact ND1-OD1 2.91Å; H608-D627 PolarHBondContact ND1-OD1 3.4Å; D627-S629 VanDerWaalsContact C-N 3.28Å; D627-S629 PolarHBondContact O-N 3.26Å; D627-R630 WeakPolarHBondContact O-CG 3.09Å
628	H	97.7	Very high	95.6	Very high	99 Å²	99	50.8 Å²	50.8	46%	0.458	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-19.2	-172.9	74.4	-87.1	0	0	0	114.2	F604 Y626 A824	F604-H628 AromaticContact CD1-CE1 3.48Å; F604-H628 VanDerWaalsContact CD1-CE1 3.48Å; F604-H628 WeakPolarHBondContact CD1-CE1 3.27Å; F604-H628 AromaticContact CD1-ND1 3.87Å; F604-H628 AromaticContact CE1-CE1 3.86Å; Y626-H628 PolarHBondContact O-N 3.11Å; H628-A824 PolarHBondContact CE1-O 2.85Å; H628-A824 PolarHBondContact NE2-O 3.2Å
629	S	97.9	Very high	95.5	Very high	12 Å²	12	54.5 Å²	54.5	8%	0.084	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	0.5	-175.7	60.2	0	0	0	0	112.6	Y626 D627 N648 Y649 Q825	Y626-S629 PolarHBondContact O-N 3.37Å; D627-S629 VanDerWaalsContact C-N 3.28Å; D627-S629 PolarHBondContact O-N 3.26Å; S629-N648 CarbonylContact O-C 3.59Å; S629-N648 VanDerWaalsContact O-CA 3.29Å; S629-N648 WeakPolarHBondContact O-CA 3.24Å; S629-N648 PolarHBondContact OG-ND2 3.46Å; S629-Y649 PolarHBondContact O-N 2.95Å; S629-Q825 PolarHBondContact OG-O 3.43Å
630	R	98.5	Very high	95.4	Very high	14 Å²	14	57.2 Å²	57.2	5%	0.053	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	148.8	-178.9	73.6	-176.1	-178.9	89.7	-9.5	111	H608 A625 Y626 D627 L632 D643 A647 N648	H608-R630 PolarHBondContact CD2-NH2 2.77Å; H608-R630 PolarHBondContact NE2-NH2 3.38Å; A625-R630 HydrophobicContact CB-CB 4.07Å; Y626-R630 WeakPolarHBondContact O-CB 3.13Å; Y626-R630 PolarHBondContact O-N 3.16Å; D627-R630 WeakPolarHBondContact O-CG 3.09Å; R630-L632 VanDerWaalsContact NH1-CD2 3.27Å; R630-L632 PolarHBondContact O-N 3.34Å; R630-D643 IonicContact CZ-OD2 3.88Å; R630-D643 PolarHBondContact NH1-O 3.03Å; R630-D643 IonicContact NH1-OD2 3.53Å; R630-D643 PolarHBondContact NH1-OD2 3.06Å; R630-D643 IonicContact NH2-OD2 2.77Å; R630-D643 PolarHBondContact NH2-OD2 2.86Å; R630-A647 CarbonylContact C-O 3.57Å; R630-A647 VanDerWaalsContact CA-O 3.27Å; R630-A647 WeakPolarHBondContact CA-O 3.41Å; R630-N648 WeakPolarHBondContact CA-ND2 3.29Å; R630-N648 PolarHBondContact N-ND2 2.96Å
631	V	98.6	Very high	95.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	121.1	169.3	-175.2	0	0	0	0	108.7	I645 A647 Y649 I660 M676 Q680	V631-I645 HydrophobicContact CB-CG2 4.16Å; V631-I645 HydrophobicContact CG1-CG2 4.5Å; V631-A647 HydrophobicContact CB-CB 4.1Å; V631-A647 HydrophobicContact CG2-CB 3.82Å; V631-A647 PolarHBondContact N-O 2.88Å; V631-Y649 HydrophobicContact CB-CE2 4.37Å; V631-Y649 HydrophobicContact CG2-CD1 4.35Å; V631-Y649 HydrophobicContact CG2-CD2 4.2Å; V631-Y649 HydrophobicContact CG2-CE1 4.15Å; V631-Y649 HydrophobicContact CG2-CE2 4Å; V631-Y649 HydrophobicContact CG2-CG 4.38Å; V631-I660 HydrophobicContact CG2-CB 4.5Å; V631-I660 HydrophobicContact CG2-CD1 4.14Å; V631-I660 HydrophobicContact CG2-CG1 3.94Å; V631-I660 HydrophobicContact CG2-CG2 3.79Å; V631-M676 HydrophobicContact CB-SD 4.3Å; V631-M676 HydrophobicContact CG1-CG 3.81Å; V631-M676 HydrophobicContact CG1-SD 4.09Å; V631-M676 HydrophobicContact CG2-SD 4.35Å; V631-Q680 HydrophobicContact CG1-CG 4.16Å
632	L	97.8	Very high	95.7	Very high	101 Å²	101	51 Å²	51	53%	0.529	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	118	177.6	-79.2	151.6	0	0	0	109.3	R630	R630-L632 VanDerWaalsContact NH1-CD2 3.27Å; R630-L632 PolarHBondContact O-N 3.34Å
633	L	97.8	Very high	96.1	Very high	7 Å²	7	47.9 Å²	47.9	4%	0.037	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-86	151.6	170.7	-58.3	-177.3	0	0	0	110.3	A635 D643 I645 E672 M676	L633-A635 PolarHBondContact O-N 3.21Å; L633-D643 PolarHBondContact N-O 3.14Å; L633-D643 WeakPolarHBondContact O-CA 3.3Å; L633-D643 WeakPolarHBondContact O-CB 3.5Å; L633-I645 HydrophobicContact CD1-CB 3.99Å; L633-I645 HydrophobicContact CD1-CG2 4.06Å; L633-I645 HydrophobicContact CD2-CG2 4.22Å; L633-I645 HydrophobicContact CG-CB 4.4Å; L633-I645 HydrophobicContact CG-CG2 3.94Å; L633-E672 HydrophobicContact CD1-CB 3.77Å; L633-E672 HydrophobicContact CD1-CG 3.92Å; L633-M676 HydrophobicContact CD2-CB 3.74Å; L633-M676 HydrophobicContact CD2-CG 4.1Å
634	S	96.3	Very high	96.2	Very high	72 Å²	72	47.7 Å²	47.7	50%	0.503	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-59	128.3	173.4	-56.1	0	0	0	0	110	I636 R675 E679	S634-I636 PolarHBondContact O-N 2.96Å; S634-R675 PolarHBondContact O-NH1 3.17Å; S634-E679 PolarHBondContact N-OE2 3.35Å; S634-E679 VanDerWaalsContact OG-CD 3.31Å; S634-E679 PolarHBondContact OG-OE1 3.29Å; S634-E679 PolarHBondContact OG-OE2 2.82Å
635	A	94.6	Very high	96.3	Very high	76 Å²	76	47.5 Å²	47.5	63%	0.628	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-63.2	139.1	179.3	0	0	0	0	0	110.7	L633	L633-A635 PolarHBondContact O-N 3.21Å
636	I	93.9	Very high	96.4	Very high	62 Å²	62	47.5 Å²	47.5	32%	0.318	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-99.3	119.8	172.3	-56.5	175.1	0	0	0	107.5	S634 G638 I639 S642	S634-I636 PolarHBondContact O-N 2.96Å; I636-G638 PolarHBondContact O-N 2.93Å; I636-I639 HydrophobicContact CB-CB 4.34Å; I636-I639 HydrophobicContact CB-CD1 4.24Å; I636-I639 HydrophobicContact CB-CG1 4.44Å; I636-I639 HydrophobicContact CG2-CD1 3.71Å; I636-I639 HydrophobicContact CG2-CG1 4.08Å; I636-I639 PolarHBondContact O-N 2.69Å; I636-S642 PolarHBondContact N-OG 3.22Å; I636-S642 PolarHBondContact O-OG 2.57Å
637	D	93.4	Very high	96.4	Very high	160 Å²	160	46.1 Å²	46.1	86%	0.856	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	130	-178.3	-70.5	-26.2	0	0	0	111.4	I639	D637-I639 VanDerWaalsContact C-N 3.3Å; D637-I639 PolarHBondContact O-N 2.57Å
638	G	91.9	Very high	96.5	Very high	83 Å²	83	45 Å²	45	86%	0.856	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	-0.6	-179.2	0	0	0	0	0	115.6	I636 P640	I636-G638 PolarHBondContact O-N 2.93Å; G638-P640 WeakPolarHBondContact O-CD 3.48Å
639	I	94.2	Very high	96.5	Very high	94 Å²	94	42.2 Å²	42.2	48%	0.482	27%	0.265	S	S	.	.			trans	-116.1	97.1	178	-51.5	-175.5	0	0	0	110.4	I636 D637 S642	I636-I639 HydrophobicContact CB-CB 4.34Å; I636-I639 HydrophobicContact CB-CD1 4.24Å; I636-I639 HydrophobicContact CB-CG1 4.44Å; I636-I639 HydrophobicContact CG2-CD1 3.71Å; I636-I639 HydrophobicContact CG2-CG1 4.08Å; I636-I639 PolarHBondContact O-N 2.69Å; D637-I639 VanDerWaalsContact C-N 3.3Å; D637-I639 PolarHBondContact O-N 2.57Å; I639-S642 VanDerWaalsContact O-CB 3.22Å; I639-S642 WeakPolarHBondContact O-CB 3.22Å; I639-S642 PolarHBondContact O-N 2.75Å; I639-S642 PolarHBondContact O-OG 2.84Å
640	P	93.4	Very high	96.6	Very high	100 Å²	100	41.6 Å²	41.6	65%	0.649	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	139.3	174.6	-23.7	34.3	0	0	0	112.5	G638 S642	G638-P640 WeakPolarHBondContact O-CD 3.48Å; P640-S642 PolarHBondContact O-N 3.42Å
641	G	92.9	Very high	96.6	Very high	12 Å²	12	42.2 Å²	42.2	12%	0.124	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	12.4	-179	0	0	0	0	0	114.7	N614 K617 D643 Y644	N614-G641 PolarHBondContact OD1-O 2.51Å; K617-G641 PolarHBondContact NZ-O 3.42Å; G641-D643 PolarHBondContact O-N 3.19Å; G641-Y644 PolarHBondContact O-N 2.92Å
642	S	96.4	Very high	96.4	Very high	5 Å²	5	42.6 Å²	42.6	4%	0.035	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-14.1	174.8	55.6	0	0	0	0	113.3	I636 I639 P640 Y644 R675	I636-S642 PolarHBondContact N-OG 3.22Å; I636-S642 PolarHBondContact O-OG 2.57Å; I639-S642 VanDerWaalsContact O-CB 3.22Å; I639-S642 WeakPolarHBondContact O-CB 3.22Å; I639-S642 PolarHBondContact O-N 2.75Å; I639-S642 PolarHBondContact O-OG 2.84Å; P640-S642 PolarHBondContact O-N 3.42Å; S642-Y644 VanDerWaalsContact C-N 3.27Å; S642-R675 PolarHBondContact O-NH2 2.93Å
643	D	97.2	Very high	96.3	Very high	37 Å²	37	39.2 Å²	39.2	20%	0.198	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-5.7	175.2	72.7	-52	0	0	0	113.3	R630 L633 G641	R630-D643 IonicContact CZ-OD2 3.88Å; R630-D643 PolarHBondContact NH1-O 3.03Å; R630-D643 IonicContact NH1-OD2 3.53Å; R630-D643 PolarHBondContact NH1-OD2 3.06Å; R630-D643 IonicContact NH2-OD2 2.77Å; R630-D643 PolarHBondContact NH2-OD2 2.86Å; L633-D643 PolarHBondContact N-O 3.14Å; L633-D643 WeakPolarHBondContact O-CA 3.3Å; L633-D643 WeakPolarHBondContact O-CB 3.5Å; G641-D643 PolarHBondContact O-N 3.19Å
644	Y	98.5	Very high	96.1	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	134.7	-171.9	-177.8	-96	0	0	0	113.5	H608 S609 N614 K617 N618 G641 S642 N646	H608-Y644 HydrophobicContact CB-CD2 3.91Å; H608-Y644 HydrophobicContact CB-CE2 4.22Å; S609-Y644 WeakPolarHBondContact CA-OH 3.48Å; S609-Y644 VanDerWaalsContact CB-OH 3.24Å; S609-Y644 WeakPolarHBondContact CB-OH 3.3Å; S609-Y644 WeakPolarHBondContact OG-CE2 3.41Å; S609-Y644 PolarHBondContact OG-OH 2.82Å; N614-Y644 HydrophobicContact CB-CD1 3.65Å; N614-Y644 HydrophobicContact CB-CE1 3.94Å; N614-Y644 HydrophobicContact CB-CG 4.03Å; N614-Y644 VanDerWaalsContact ND2-CB 3.32Å; N614-Y644 WeakPolarHBondContact ND2-CB 3.42Å; K617-Y644 HydrophobicContact CB-CD1 4.28Å; K617-Y644 HydrophobicContact CB-CE1 4.22Å; K617-Y644 HydrophobicContact CD-CD1 4.05Å; N618-Y644 PolarHBondContact OD1-OH 3.36Å; G641-Y644 PolarHBondContact O-N 2.92Å; S642-Y644 VanDerWaalsContact C-N 3.27Å; Y644-N646 HydrophobicContact CE1-CB 4.47Å
645	I	98.7	Very high	96	Very high	9 Å²	9	46.4 Å²	46.4	5%	0.046	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	145	162.6	-175.1	164	0	0	0	108.4	V631 L633 A647 E672 F673 M676	V631-I645 HydrophobicContact CB-CG2 4.16Å; V631-I645 HydrophobicContact CG1-CG2 4.5Å; L633-I645 HydrophobicContact CD1-CB 3.99Å; L633-I645 HydrophobicContact CD1-CG2 4.06Å; L633-I645 HydrophobicContact CD2-CG2 4.22Å; L633-I645 HydrophobicContact CG-CB 4.4Å; L633-I645 HydrophobicContact CG-CG2 3.94Å; I645-A647 VanDerWaalsContact C-N 3.26Å; I645-A647 HydrophobicContact CG1-CB 4.49Å; I645-A647 HydrophobicContact CG2-CB 4.08Å; I645-A647 PolarHBondContact O-N 2.94Å; I645-E672 HydrophobicContact CD1-CB 4.23Å; I645-F673 HydrophobicContact CD1-CB 4.39Å; I645-M676 HydrophobicContact CD1-CB 4.07Å; I645-M676 HydrophobicContact CD1-CE 4.35Å; I645-M676 HydrophobicContact CD1-SD 3.87Å; I645-M676 HydrophobicContact CG2-SD 4.1Å
646	N	98.6	Very high	96	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	81.7	175.3	-168.5	-39.8	0	0	0	110.2	N618 V623 Y644 T662 Q663 R826	N618-N646 PolarHBondContact OD1-ND2 3.39Å; V623-N646 PolarHBondContact O-ND2 3.19Å; Y644-N646 HydrophobicContact CE1-CB 4.47Å; N646-T662 PolarHBondContact O-OG1 3.38Å; N646-Q663 HydrophobicContact CB-CG 4.16Å; N646-Q663 PolarHBondContact ND2-OE1 2.82Å; N646-Q663 PolarHBondContact O-N 2.97Å; N646-R826 PolarHBondContact OD1-NH1 3.37Å; N646-R826 PolarHBondContact OD1-NH2 2.98Å
647	A	98.8	Very high	96.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	147	-179.6	0	0	0	0	0	110.4	R630 V631 I645 I660 A661 M676	R630-A647 CarbonylContact C-O 3.57Å; R630-A647 VanDerWaalsContact CA-O 3.27Å; R630-A647 WeakPolarHBondContact CA-O 3.41Å; V631-A647 HydrophobicContact CB-CB 4.1Å; V631-A647 HydrophobicContact CG2-CB 3.82Å; V631-A647 PolarHBondContact N-O 2.88Å; I645-A647 VanDerWaalsContact C-N 3.26Å; I645-A647 HydrophobicContact CG1-CB 4.49Å; I645-A647 HydrophobicContact CG2-CB 4.08Å; I645-A647 PolarHBondContact O-N 2.94Å; A647-I660 HydrophobicContact CB-CG2 3.82Å; A647-A661 CarbonylContact C-O 3.6Å; A647-A661 VanDerWaalsContact CA-O 3.3Å; A647-A661 WeakPolarHBondContact CA-O 3.41Å; A647-M676 HydrophobicContact CB-SD 3.78Å
648	N	98.8	Very high	96.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	145.8	173.7	-63.4	89	0	0	0	110.3	A625 Y626 S629 R630 I650 I660 A661 Q825 R826	A625-N648 VanDerWaalsContact CA-OD1 3.32Å; A625-N648 WeakPolarHBondContact CA-OD1 3.25Å; A625-N648 WeakPolarHBondContact CB-OD1 3.32Å; Y626-N648 PolarHBondContact N-ND2 3.29Å; Y626-N648 PolarHBondContact O-ND2 2.78Å; Y626-N648 VanDerWaalsContact O-ND2 3.1Å; S629-N648 CarbonylContact O-C 3.59Å; S629-N648 VanDerWaalsContact O-CA 3.29Å; S629-N648 WeakPolarHBondContact O-CA 3.24Å; S629-N648 PolarHBondContact OG-ND2 3.46Å; R630-N648 WeakPolarHBondContact CA-ND2 3.29Å; R630-N648 PolarHBondContact N-ND2 2.96Å; N648-I650 HydrophobicContact CB-CD1 4.5Å; N648-I660 CarbonylContact O-C 3.56Å; N648-I660 WeakPolarHBondContact O-CA 3.27Å; N648-A661 PolarHBondContact N-O 3.49Å; N648-A661 PolarHBondContact O-N 3.07Å; N648-Q825 PolarHBondContact ND2-O 3.34Å; N648-R826 HydrophobicContact CB-CB 3.97Å; N648-R826 HydrophobicContact CB-CG 4.31Å; N648-R826 PolarHBondContact OD1-NH1 3.2Å
649	Y	98.9	Very high	96.7	Very high	41 Å²	41	37.8 Å²	37.8	16%	0.161	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	139.8	164.9	-62.2	-75.7	0	0	0	110	S629 V631 N657 Y659 I660 Q680 P782	S629-Y649 PolarHBondContact O-N 2.95Å; V631-Y649 HydrophobicContact CB-CE2 4.37Å; V631-Y649 HydrophobicContact CG2-CD1 4.35Å; V631-Y649 HydrophobicContact CG2-CD2 4.2Å; V631-Y649 HydrophobicContact CG2-CE1 4.15Å; V631-Y649 HydrophobicContact CG2-CE2 4Å; V631-Y649 HydrophobicContact CG2-CG 4.38Å; Y649-N657 WeakPolarHBondContact CB-OD1 3.49Å; Y649-N657 HydrophobicContact CD1-CB 3.84Å; Y649-N657 HydrophobicContact CG-CB 4.05Å; Y649-Y659 WeakPolarHBondContact CA-O 3.49Å; Y649-I660 HydrophobicContact CD1-CD1 4.34Å; Y649-I660 HydrophobicContact CD1-CG1 3.73Å; Y649-I660 HydrophobicContact CE1-CD1 3.97Å; Y649-I660 HydrophobicContact CE1-CG1 3.88Å; Y649-Q680 PolarHBondContact OH-NE2 3.35Å; Y649-Q680 VanDerWaalsContact OH-NE2 3.11Å; Y649-Q680 PolarHBondContact OH-OE1 2.7Å; Y649-P782 HydrophobicContact CD1-CG 4.36Å; Y649-P782 HydrophobicContact CE1-CG 4.18Å
650	I	98.7	Very high	96.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	137	177.2	-53.3	-65.4	0	0	0	108.8	N648 N657 A658 Y659 A661 I798 M822 Q825 R826 M829	N648-I650 HydrophobicContact CB-CD1 4.5Å; I650-N657 CarbonylContact O-C 3.52Å; I650-A658 PolarHBondContact O-N 3.31Å; I650-Y659 PolarHBondContact N-O 3.21Å; I650-Y659 PolarHBondContact O-N 2.86Å; I650-A661 HydrophobicContact CD1-CB 4.16Å; I650-A661 HydrophobicContact CG1-CB 3.53Å; I650-I798 HydrophobicContact CB-CD1 4.19Å; I650-I798 HydrophobicContact CG1-CD1 4.21Å; I650-I798 HydrophobicContact CG2-CD1 4.16Å; I650-I798 HydrophobicContact CG2-CG2 3.87Å; I650-M822 HydrophobicContact CG2-CB 4.4Å; I650-M822 HydrophobicContact CG2-CE 4.1Å; I650-M822 HydrophobicContact CG2-CG 3.68Å; I650-M822 HydrophobicContact CG2-SD 4.37Å; I650-Q825 HydrophobicContact CD1-CB 3.75Å; I650-R826 HydrophobicContact CD1-CB 3.78Å; I650-M829 HydrophobicContact CD1-CE 4.46Å
651	D	98.3	Very high	97.2	Very high	27 Å²	27	28.5 Å²	28.5	14%	0.144	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	147.9	178.3	-72	-1.5	0	0	0	111	Q656 N657 L821 Q825	D651-Q656 WeakPolarHBondContact OD1-CA 2.99Å; D651-N657 PolarHBondContact OD1-N 3.1Å; D651-L821 HydrophobicContact CB-CD2 4.11Å; D651-Q825 PolarHBondContact OD1-NE2 3.32Å
652	G	95.8	Very high	97.5	Very high	8 Å²	8	28 Å²	28	8%	0.082	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-174	164.3	0	0	0	0	0	111.2	R654 K655	G652-R654 PolarHBondContact O-N 3.06Å; G652-K655 PolarHBondContact N-O 2.65Å
653	Y	96.1	Very high	97.6	Very high	29 Å²	29	28.1 Å²	28.1	11%	0.114	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	118.3	173.2	177.1	-103.7	0	0	0	110.5	K655 A802 E805 R806 H809 E810	Y653-K655 PolarHBondContact O-N 2.86Å; Y653-A802 VanDerWaalsContact CB-O 3.25Å; Y653-A802 WeakPolarHBondContact CB-O 3.32Å; Y653-E805 HydrophobicContact CD1-CB 4.23Å; Y653-E805 HydrophobicContact CD1-CG 3.99Å; Y653-R806 HydrophobicContact CD1-CB 4.21Å; Y653-R806 HydrophobicContact CD2-CB 3.6Å; Y653-R806 HydrophobicContact CD2-CG 3.83Å; Y653-R806 HydrophobicContact CE1-CB 4.27Å; Y653-R806 HydrophobicContact CE2-CB 3.7Å; Y653-R806 HydrophobicContact CE2-CG 3.46Å; Y653-R806 VanDerWaalsContact CE2-CG 3.46Å; Y653-R806 HydrophobicContact CG-CB 3.85Å; Y653-H809 HydrophobicContact CE1-CB 4.2Å; Y653-H809 AromaticContact CE1-CD2 3.75Å; Y653-E810 VanDerWaalsContact OH-CG 3.28Å; Y653-E810 WeakPolarHBondContact OH-CG 2.76Å; Y653-E810 PolarHBondContact OH-OE1 3.4Å
654	R	93.6	Very high	97.6	Very high	129 Å²	129	26.3 Å²	26.3	49%	0.487	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	23.6	-177.7	-60.5	-175.6	179.2	-173.1	3.2	114.9	G652 E810	G652-R654 PolarHBondContact O-N 3.06Å; R654-E810 IonicContact CZ-OE1 2.69Å; R654-E810 IonicContact NE-OE1 3.59Å; R654-E810 IonicContact NH2-OE1 3.74Å; R654-E810 PolarHBondContact NH2-OE1 3.28Å
655	K	93.7	Very high	97.5	Very high	101 Å²	101	26.4 Å²	26.4	44%	0.439	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	107.7	176.9	-172.9	177.1	179.9	177.7	0	109.4	G652 Y653 A658	G652-K655 PolarHBondContact N-O 2.65Å; Y653-K655 PolarHBondContact O-N 2.86Å; K655-A658 HydrophobicContact CB-CB 4.02Å; K655-A658 HydrophobicContact CD-CB 3.85Å; K655-A658 HydrophobicContact CG-CB 3.81Å; K655-A658 WeakPolarHBondContact O-CB 2.97Å
656	Q	95.1	Very high	97.4	Very high	114 Å²	114	27 Å²	27	53%	0.533	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	145.9	174.4	-71.8	179.2	-11.7	0	0	110.6	D651 A658	D651-Q656 WeakPolarHBondContact OD1-CA 2.99Å; Q656-A658 PolarHBondContact O-N 3.45Å
657	N	96.9	Very high	97.3	Very high	72 Å²	72	30.2 Å²	30.2	39%	0.385	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	49.7	35	177.9	-55.9	-27.5	0	0	0	112.8	Y649 I650 D651 Y659 P782	Y649-N657 WeakPolarHBondContact CB-OD1 3.49Å; Y649-N657 HydrophobicContact CD1-CB 3.84Å; Y649-N657 HydrophobicContact CG-CB 4.05Å; I650-N657 CarbonylContact O-C 3.52Å; D651-N657 PolarHBondContact OD1-N 3.1Å; N657-Y659 PolarHBondContact O-N 2.88Å; N657-P782 WeakPolarHBondContact O-CB 3.44Å; N657-P782 VanDerWaalsContact O-CG 3.31Å; N657-P782 WeakPolarHBondContact O-CG 3.25Å
658	A	97.6	Very high	97.2	Very high	6 Å²	6	36.6 Å²	36.6	5%	0.05	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	-27.5	-177.3	0	0	0	0	0	112.3	I650 K655 Q656 P782 M783	I650-A658 PolarHBondContact O-N 3.31Å; K655-A658 HydrophobicContact CB-CB 4.02Å; K655-A658 HydrophobicContact CD-CB 3.85Å; K655-A658 HydrophobicContact CG-CB 3.81Å; K655-A658 WeakPolarHBondContact O-CB 2.97Å; Q656-A658 PolarHBondContact O-N 3.45Å; A658-P782 WeakPolarHBondContact O-CA 3.36Å; A658-M783 PolarHBondContact O-N 3.35Å; A658-M783 VanDerWaalsContact O-N 3.1Å
659	Y	98.8	Very high	97.1	Very high	8 Å²	8	37 Å²	37	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	160.9	-179	-41.2	-91	0	0	0	111.1	Y649 I650 N657 M783 V785 I798 D801	Y649-Y659 WeakPolarHBondContact CA-O 3.49Å; I650-Y659 PolarHBondContact N-O 3.21Å; I650-Y659 PolarHBondContact O-N 2.86Å; N657-Y659 PolarHBondContact O-N 2.88Å; Y659-M783 CarbonylContact C-O 3.55Å; Y659-M783 VanDerWaalsContact CA-O 3.24Å; Y659-M783 WeakPolarHBondContact CA-O 3.34Å; Y659-M783 HydrophobicContact CD1-CB 4.17Å; Y659-M783 HydrophobicContact CD1-CE 3.75Å; Y659-M783 HydrophobicContact CE1-CE 3.32Å; Y659-V785 HydrophobicContact CD1-CG2 4.21Å; Y659-I798 HydrophobicContact CD1-CG1 4.15Å; Y659-I798 HydrophobicContact CD2-CB 4.43Å; Y659-I798 HydrophobicContact CD2-CD1 4.49Å; Y659-I798 HydrophobicContact CD2-CG1 4.14Å; Y659-I798 HydrophobicContact CD2-CG2 3.57Å; Y659-I798 HydrophobicContact CE2-CG2 3.63Å; Y659-I798 HydrophobicContact CG-CD1 4.22Å; Y659-I798 HydrophobicContact CG-CG1 3.91Å; Y659-I798 HydrophobicContact CG-CG2 4.22Å; Y659-D801 WeakPolarHBondContact CE1-OD2 3.42Å; Y659-D801 PolarHBondContact OH-OD2 3.31Å
660	I	98.9	Very high	97.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	115.4	162.8	-70.5	164.7	0	0	0	107.4	V631 A647 N648 Y649 M676 Q680 P782 M783 V784 V785	V631-I660 HydrophobicContact CG2-CB 4.5Å; V631-I660 HydrophobicContact CG2-CD1 4.14Å; V631-I660 HydrophobicContact CG2-CG1 3.94Å; V631-I660 HydrophobicContact CG2-CG2 3.79Å; A647-I660 HydrophobicContact CB-CG2 3.82Å; N648-I660 CarbonylContact O-C 3.56Å; N648-I660 WeakPolarHBondContact O-CA 3.27Å; Y649-I660 HydrophobicContact CD1-CD1 4.34Å; Y649-I660 HydrophobicContact CD1-CG1 3.73Å; Y649-I660 HydrophobicContact CE1-CD1 3.97Å; Y649-I660 HydrophobicContact CE1-CG1 3.88Å; I660-M676 HydrophobicContact CG2-CE 4.02Å; I660-M676 HydrophobicContact CG2-SD 3.81Å; I660-Q680 HydrophobicContact CD1-CB 3.96Å; I660-Q680 HydrophobicContact CD1-CG 3.73Å; I660-P782 HydrophobicContact CD1-CB 3.92Å; I660-P782 HydrophobicContact CD1-CG 4.26Å; I660-P782 HydrophobicContact CG1-CB 3.82Å; I660-P782 HydrophobicContact CG1-CG 4.42Å; I660-M783 PolarHBondContact N-O 3.17Å; I660-V784 HydrophobicContact CB-CG2 4.29Å; I660-V784 HydrophobicContact CD1-CG2 4.33Å; I660-V785 PolarHBondContact O-N 2.93Å
661	A	98.9	Very high	97	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	119.1	170.6	0	0	0	0	0	109.5	A647 N648 I650 V785 T794 I798 M829	A647-A661 CarbonylContact C-O 3.6Å; A647-A661 VanDerWaalsContact CA-O 3.3Å; A647-A661 WeakPolarHBondContact CA-O 3.41Å; N648-A661 PolarHBondContact N-O 3.49Å; N648-A661 PolarHBondContact O-N 3.07Å; I650-A661 HydrophobicContact CD1-CB 4.16Å; I650-A661 HydrophobicContact CG1-CB 3.53Å; A661-V785 WeakPolarHBondContact CA-O 3.38Å; A661-T794 HydrophobicContact CB-CG2 3.75Å; A661-I798 HydrophobicContact CB-CD1 4.26Å; A661-M829 HydrophobicContact CB-CE 4.04Å; A661-M829 HydrophobicContact CB-SD 4.33Å
662	T	98.9	Very high	97	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	158.3	-176.7	-172.2	0	0	0	0	112	N646 F673 M676 V784 V785 H786 G790	N646-T662 PolarHBondContact O-OG1 3.38Å; T662-F673 HydrophobicContact CG2-CD2 4.45Å; T662-F673 HydrophobicContact CG2-CE2 3.85Å; T662-M676 HydrophobicContact CG2-CE 4.23Å; T662-V784 HydrophobicContact CG2-CG1 3.77Å; T662-V785 PolarHBondContact N-O 2.95Å; T662-V785 VanDerWaalsContact N-O 3.16Å; T662-H786 HydrophobicContact CG2-CB 3.72Å; T662-H786 WeakPolarHBondContact O-CA 3.42Å; T662-H786 WeakPolarHBondContact O-CB 3.45Å; T662-G790 WeakPolarHBondContact O-CA 3.2Å
663	Q	98.1	Very high	97.1	Very high	7 Å²	7	37.2 Å²	37.2	3%	0.033	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-68	161.5	173.1	70.9	177.7	30	0	0	111.6	K617 N646 A665 S788	K617-Q663 PolarHBondContact O-NE2 2.99Å; N646-Q663 HydrophobicContact CB-CG 4.16Å; N646-Q663 PolarHBondContact ND2-OE1 2.82Å; N646-Q663 PolarHBondContact O-N 2.97Å; Q663-A665 PolarHBondContact O-N 3.04Å; Q663-S788 CarbonylContact C-O 3.46Å; Q663-S788 WeakPolarHBondContact CA-O 3.3Å; Q663-S788 WeakPolarHBondContact CB-O 3.25Å
664	G	98.1	Very high	97.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-62.7	121.9	164.5	0	0	0	0	0	109.5	R619 C699 C787 S788	R619-G664 PolarHBondContact NE-O 2.81Å; R619-G664 PolarHBondContact NH2-O 2.57Å; G664-C699 VanDerWaalsContact CA-SG 3.6Å; G664-C787 WeakPolarHBondContact CA-O 3.04Å; G664-C787 PolarHBondContact N-O 2.74Å; G664-S788 PolarHBondContact N-O 2.84Å
665	A	96.9	Very high	97.5	Very high	2 Å²	2	30.3 Å²	30.3	2%	0.017	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-58.2	140.6	-173	0	0	0	0	0	111.8	R619 Q663 F670 F673 Y702	R619-A665 PolarHBondContact NH2-O 2.85Å; Q663-A665 PolarHBondContact O-N 3.04Å; A665-F670 HydrophobicContact CB-CD1 3.79Å; A665-F670 HydrophobicContact CB-CE1 4.09Å; A665-F673 HydrophobicContact CB-CB 3.96Å; A665-F673 HydrophobicContact CB-CD2 4.06Å; A665-F673 HydrophobicContact CB-CG 3.93Å; A665-Y702 HydrophobicContact CB-CD1 4.35Å
666	L	96.7	Very high	97.7	Very high	22 Å²	22	25.5 Å²	25.5	12%	0.115	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-89.8	158.9	172.9	-65.9	165	0	0	0	109.7	P616 R619 E668 T669 F670	P616-L666 WeakPolarHBondContact O-CD1 3.39Å; R619-L666 HydrophobicContact CB-CD1 4.36Å; R619-L666 HydrophobicContact CB-CD2 4.19Å; R619-L666 HydrophobicContact CB-CG 4.35Å; R619-L666 HydrophobicContact CG-CD2 4.21Å; L666-E668 PolarHBondContact O-N 3.15Å; L666-E668 VanDerWaalsContact O-N 3.17Å; L666-T669 HydrophobicContact CB-CG2 4.25Å; L666-T669 PolarHBondContact N-OG1 2.8Å; L666-T669 CarbonylContact O-C 3.51Å; L666-T669 WeakPolarHBondContact O-CA 3.42Å; L666-T669 PolarHBondContact O-N 2.84Å; L666-T669 PolarHBondContact O-OG1 3Å; L666-T669 VanDerWaalsContact O-OG1 3.14Å; L666-F670 VanDerWaalsContact C-CE1 3.45Å; L666-F670 WeakPolarHBondContact O-CD1 3.49Å; L666-F670 VanDerWaalsContact O-CE1 3.27Å; L666-F670 WeakPolarHBondContact O-CE1 3.15Å; L666-F670 PolarHBondContact O-N 3.04Å; L666-F670 VanDerWaalsContact O-N 3.14Å
667	P	96.8	Very high	97.8	Very high	67 Å²	67	20.1 Å²	20.1	44%	0.435	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-50.5	-40.7	175.4	-27.7	36.5	0	0	0	113.2	T669 F670 D700	P667-T669 PolarHBondContact O-N 3.28Å; P667-F670 HydrophobicContact CB-CE2 4.39Å; P667-F670 HydrophobicContact CB-CZ 4.49Å; P667-F670 HydrophobicContact CG-CZ 4.43Å; P667-D700 HydrophobicContact CG-CB 4.35Å
668	E	95.1	Very high	97.9	Very high	134 Å²	134	17.4 Å²	17.4	63%	0.626	9%	0.092	S	C	*	.	G	3₁₀ helix	trans	-73.8	-12.3	179.6	-57.2	74.1	-160.8	0	0	113.4	L666	L666-E668 PolarHBondContact O-N 3.15Å; L666-E668 VanDerWaalsContact O-N 3.17Å
669	T	97.8	Very high	97.9	Very high	8 Å²	8	19.2 Å²	19.2	5%	0.049	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-117.4	7.2	-176.7	71.3	0	0	0	0	113.6	K617 L666 P667 G671 E672 F673	K617-T669 HydrophobicContact CB-CG2 3.77Å; K617-T669 HydrophobicContact CG-CG2 4.08Å; L666-T669 HydrophobicContact CB-CG2 4.25Å; L666-T669 PolarHBondContact N-OG1 2.8Å; L666-T669 CarbonylContact O-C 3.51Å; L666-T669 WeakPolarHBondContact O-CA 3.42Å; L666-T669 PolarHBondContact O-N 2.84Å; L666-T669 PolarHBondContact O-OG1 3Å; L666-T669 VanDerWaalsContact O-OG1 3.14Å; P667-T669 PolarHBondContact O-N 3.28Å; T669-G671 VanDerWaalsContact C-N 3.28Å; T669-G671 PolarHBondContact O-N 3.38Å; T669-E672 PolarHBondContact O-N 2.76Å; T669-F673 WeakPolarHBondContact O-CB 3.43Å; T669-F673 PolarHBondContact O-N 3.35Å
670	F	98.4	Very high	97.8	Very high	28 Å²	28	20.7 Å²	20.7	12%	0.123	11%	0.107	C	C	.	.	H	α-helix	trans	-60.4	-39.5	178.5	-68.5	-17.3	0	0	0	112.1	A665 L666 P667 F673 W674 D700 Q701 Y702 Y711	A665-F670 HydrophobicContact CB-CD1 3.79Å; A665-F670 HydrophobicContact CB-CE1 4.09Å; L666-F670 VanDerWaalsContact C-CE1 3.45Å; L666-F670 WeakPolarHBondContact O-CD1 3.49Å; L666-F670 VanDerWaalsContact O-CE1 3.27Å; L666-F670 WeakPolarHBondContact O-CE1 3.15Å; L666-F670 PolarHBondContact O-N 3.04Å; L666-F670 VanDerWaalsContact O-N 3.14Å; P667-F670 HydrophobicContact CB-CE2 4.39Å; P667-F670 HydrophobicContact CB-CZ 4.49Å; P667-F670 HydrophobicContact CG-CZ 4.43Å; F670-F673 PolarHBondContact O-N 2.54Å; F670-W674 PolarHBondContact O-N 2.8Å; F670-D700 HydrophobicContact CE1-CB 3.96Å; F670-D700 HydrophobicContact CZ-CB 3.69Å; F670-Q701 WeakPolarHBondContact CE2-O 3.19Å; F670-Q701 VanDerWaalsContact CZ-O 3.27Å; F670-Q701 WeakPolarHBondContact CZ-O 3.35Å; F670-Y702 VanDerWaalsContact CD1-CB 3.48Å; F670-Y711 HydrophobicContact CB-CD1 3.86Å; F670-Y711 HydrophobicContact CB-CG 4.33Å; F670-Y711 HydrophobicContact CD2-CD1 4.07Å; F670-Y711 HydrophobicContact CD2-CE1 4.11Å; F670-Y711 HydrophobicContact CG-CD1 4.39Å
671	G	97.1	Very high	97.8	Very high	16 Å²	16	28.8 Å²	28.8	17%	0.165	14%	0.137	C	C	.	.	H	α-helix	trans	-62.2	-48.3	176.8	0	0	0	0	0	112.1	T669 F673 R675	T669-G671 VanDerWaalsContact C-N 3.28Å; T669-G671 PolarHBondContact O-N 3.38Å; G671-F673 VanDerWaalsContact C-N 3.35Å; G671-F673 PolarHBondContact O-N 2.91Å; G671-R675 WeakPolarHBondContact O-CB 3.06Å; G671-R675 PolarHBondContact O-N 3.04Å
672	E	98.1	Very high	97.7	Very high	36 Å²	36	29 Å²	29	17%	0.168	14%	0.139	C	C	.	.	H	α-helix	trans	-62.1	-39.6	175.1	-72.5	91.6	153.2	0	0	112.5	K617 L633 I645 T669 R675 M676	K617-E672 IonicContact NZ-OE1 3.12Å; K617-E672 PolarHBondContact NZ-OE1 2.93Å; L633-E672 HydrophobicContact CD1-CB 3.77Å; L633-E672 HydrophobicContact CD1-CG 3.92Å; I645-E672 HydrophobicContact CD1-CB 4.23Å; T669-E672 PolarHBondContact O-N 2.76Å; E672-R675 PolarHBondContact O-N 2.81Å; E672-M676 WeakPolarHBondContact O-CB 3.39Å; E672-M676 PolarHBondContact O-N 2.86Å
673	F	98.7	Very high	97.7	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.009	15%	0.145	C	C	.	.	H	α-helix	trans	-63.1	-49.9	179	-178.6	-95.7	0	0	0	112.3	I645 T662 A665 T669 F670 G671 R675 M676 I677 V685 Y702 V784	I645-F673 HydrophobicContact CD1-CB 4.39Å; T662-F673 HydrophobicContact CG2-CD2 4.45Å; T662-F673 HydrophobicContact CG2-CE2 3.85Å; A665-F673 HydrophobicContact CB-CB 3.96Å; A665-F673 HydrophobicContact CB-CD2 4.06Å; A665-F673 HydrophobicContact CB-CG 3.93Å; T669-F673 WeakPolarHBondContact O-CB 3.43Å; T669-F673 PolarHBondContact O-N 3.35Å; F670-F673 PolarHBondContact O-N 2.54Å; G671-F673 VanDerWaalsContact C-N 3.35Å; G671-F673 PolarHBondContact O-N 2.91Å; F673-R675 VanDerWaalsContact C-N 3.33Å; F673-R675 PolarHBondContact O-N 2.81Å; F673-M676 HydrophobicContact CD2-CE 4.25Å; F673-M676 HydrophobicContact CE2-CE 4.32Å; F673-M676 WeakPolarHBondContact O-CB 3.12Å; F673-M676 PolarHBondContact O-N 2.83Å; F673-I677 HydrophobicContact CD1-CD1 3.79Å; F673-I677 HydrophobicContact CE1-CD1 3.33Å; F673-I677 HydrophobicContact CE1-CG1 4.5Å; F673-I677 HydrophobicContact CZ-CD1 3.84Å; F673-I677 PolarHBondContact O-N 2.75Å; F673-I677 VanDerWaalsContact O-N 3.12Å; F673-V685 HydrophobicContact CZ-CG1 4.16Å; F673-Y702 AromaticContact CD1-CD2 3.93Å; F673-Y702 HydrophobicContact CD1-CD2 3.93Å; F673-Y702 HydrophobicContact CD1-CE2 4.22Å; F673-Y702 HydrophobicContact CD1-CG 4.28Å; F673-Y702 AromaticContact CE1-CD2 3.58Å; F673-Y702 HydrophobicContact CE1-CD2 3.58Å; F673-Y702 HydrophobicContact CE1-CE1 4.34Å; F673-Y702 AromaticContact CE1-CE2 3.4Å; F673-Y702 HydrophobicContact CE1-CE2 3.4Å; F673-Y702 HydrophobicContact CE1-CG 4.15Å; F673-Y702 AromaticContact CE1-CZ 3.78Å; F673-Y702 HydrophobicContact CZ-CE1 4.41Å; F673-Y702 HydrophobicContact CZ-CE2 4.06Å; F673-Y702 AromaticContact CZ-CZ 3.97Å; F673-V784 HydrophobicContact CE2-CG1 4.16Å; F673-V784 HydrophobicContact CZ-CG1 4.27Å
674	W	98.4	Very high	97.7	Very high	1 Å²	1	29.5 Å²	29.5	0%	0.004	14%	0.144	C	C	.	.	H	α-helix	trans	-69.1	-33	176.8	-76.1	114.7	0	0	0	112.9	F670 M676 I677 W678 Y702 W703 Y711 I714 I716 F732 L734	F670-W674 PolarHBondContact O-N 2.8Å; W674-M676 VanDerWaalsContact C-N 3.35Å; W674-I677 HydrophobicContact CD2-CD1 4.32Å; W674-I677 HydrophobicContact CE3-CB 4.35Å; W674-I677 HydrophobicContact CE3-CD1 3.59Å; W674-I677 HydrophobicContact CE3-CG2 4.35Å; W674-I677 HydrophobicContact CZ3-CD1 3.73Å; W674-I677 HydrophobicContact CZ3-CG2 4.46Å; W674-I677 PolarHBondContact O-N 3.24Å; W674-W678 WeakPolarHBondContact O-CB 3.39Å; W674-W678 PolarHBondContact O-N 2.85Å; W674-Y702 AromaticContact CE2-CD2 3.91Å; W674-Y702 HydrophobicContact CH2-CD2 4.49Å; W674-Y702 HydrophobicContact CH2-CE2 4.37Å; W674-Y702 AromaticContact CZ2-CD2 3.64Å; W674-Y702 HydrophobicContact CZ2-CD2 3.64Å; W674-Y702 AromaticContact CZ2-CE2 3.93Å; W674-Y702 HydrophobicContact CZ2-CE2 3.93Å; W674-Y702 AromaticContact NE1-CD2 3.97Å; W674-Y702 PolarHBondContact NE1-O 3.25Å; W674-W703 HydrophobicContact CZ2-CB 4.38Å; W674-Y711 AromaticContact CD1-CD2 3.46Å; W674-Y711 VanDerWaalsContact CD1-CD2 3.46Å; W674-Y711 AromaticContact CD1-CG 3.74Å; W674-Y711 HydrophobicContact CG-CD2 4.39Å; W674-Y711 AromaticContact NE1-CD2 3.5Å; W674-Y711 AromaticContact NE1-CE2 3.79Å; W674-I714 HydrophobicContact CB-CB 4.17Å; W674-I714 HydrophobicContact CB-CG1 4.34Å; W674-I714 HydrophobicContact CB-CG2 4.46Å; W674-I716 HydrophobicContact CB-CD1 4.31Å; W674-I716 HydrophobicContact CD2-CD1 3.46Å; W674-I716 VanDerWaalsContact CD2-CD1 3.46Å; W674-I716 HydrophobicContact CD2-CG1 3.79Å; W674-I716 HydrophobicContact CE3-CD1 3.5Å; W674-I716 HydrophobicContact CE3-CG1 4.29Å; W674-I716 HydrophobicContact CG-CD1 3.84Å; W674-I716 HydrophobicContact CG-CG1 4Å; W674-I716 HydrophobicContact CH2-CD1 4.39Å; W674-I716 HydrophobicContact CH2-CG2 4.17Å; W674-I716 HydrophobicContact CZ2-CD1 4.36Å; W674-I716 HydrophobicContact CZ2-CG1 4.25Å; W674-I716 HydrophobicContact CZ2-CG2 4.01Å; W674-I716 HydrophobicContact CZ3-CD1 4Å; W674-F732 HydrophobicContact CH2-CD2 4.13Å; W674-F732 HydrophobicContact CH2-CE2 4.38Å; W674-F732 HydrophobicContact CH2-CG 4.37Å; W674-L734 HydrophobicContact CE3-CD1 4.41Å; W674-L734 HydrophobicContact CE3-CD2 4.09Å; W674-L734 HydrophobicContact CE3-CG 4.41Å; W674-L734 HydrophobicContact CZ3-CD1 4Å; W674-L734 HydrophobicContact CZ3-CD2 4.3Å; W674-L734 HydrophobicContact CZ3-CG 4.47Å
675	R	97.6	Very high	97.7	Very high	12 Å²	12	29.5 Å²	29.5	5%	0.045	14%	0.144	C	C	.	.	H	α-helix	trans	-65.7	-38.1	173.2	-175.4	165.2	66.3	106	-6.2	112	S634 S642 G671 E672 F673 W678 E679	S634-R675 PolarHBondContact O-NH1 3.17Å; S642-R675 PolarHBondContact O-NH2 2.93Å; G671-R675 WeakPolarHBondContact O-CB 3.06Å; G671-R675 PolarHBondContact O-N 3.04Å; E672-R675 PolarHBondContact O-N 2.81Å; F673-R675 VanDerWaalsContact C-N 3.33Å; F673-R675 PolarHBondContact O-N 2.81Å; R675-W678 PolarHBondContact O-N 3.24Å; R675-E679 WeakPolarHBondContact CD-OE1 3.39Å; R675-E679 HydrophobicContact CG-CG 4.2Å; R675-E679 WeakPolarHBondContact CG-OE1 3.43Å; R675-E679 IonicContact CZ-OE1 3.21Å; R675-E679 IonicContact NH1-OE1 2.69Å; R675-E679 PolarHBondContact NH1-OE1 2.96Å; R675-E679 WeakPolarHBondContact O-CB 3.47Å; R675-E679 WeakPolarHBondContact O-CG 3.27Å; R675-E679 PolarHBondContact O-N 3.44Å
676	M	98.6	Very high	97.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.2	-52.1	171.3	-173.4	-172.7	64.6	0	0	110.9	V631 L633 I645 A647 I660 T662 E672 F673 W674 W678 E679 Q680 V784	V631-M676 HydrophobicContact CB-SD 4.3Å; V631-M676 HydrophobicContact CG1-CG 3.81Å; V631-M676 HydrophobicContact CG1-SD 4.09Å; V631-M676 HydrophobicContact CG2-SD 4.35Å; L633-M676 HydrophobicContact CD2-CB 3.74Å; L633-M676 HydrophobicContact CD2-CG 4.1Å; I645-M676 HydrophobicContact CD1-CB 4.07Å; I645-M676 HydrophobicContact CD1-CE 4.35Å; I645-M676 HydrophobicContact CD1-SD 3.87Å; I645-M676 HydrophobicContact CG2-SD 4.1Å; A647-M676 HydrophobicContact CB-SD 3.78Å; I660-M676 HydrophobicContact CG2-CE 4.02Å; I660-M676 HydrophobicContact CG2-SD 3.81Å; T662-M676 HydrophobicContact CG2-CE 4.23Å; E672-M676 WeakPolarHBondContact O-CB 3.39Å; E672-M676 PolarHBondContact O-N 2.86Å; F673-M676 HydrophobicContact CD2-CE 4.25Å; F673-M676 HydrophobicContact CE2-CE 4.32Å; F673-M676 WeakPolarHBondContact O-CB 3.12Å; F673-M676 PolarHBondContact O-N 2.83Å; W674-M676 VanDerWaalsContact C-N 3.35Å; M676-W678 PolarHBondContact O-N 3.26Å; M676-E679 PolarHBondContact O-N 3.35Å; M676-Q680 HydrophobicContact CG-CG 4.12Å; M676-Q680 VanDerWaalsContact O-CB 3.25Å; M676-Q680 WeakPolarHBondContact O-CB 3.37Å; M676-Q680 WeakPolarHBondContact O-CG 3.19Å; M676-Q680 PolarHBondContact O-N 3.25Å; M676-V784 HydrophobicContact CE-CG1 3.84Å; M676-V784 HydrophobicContact CE-CG2 4.02Å
677	I	98.5	Very high	97.9	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-56	-42.3	178.3	-70.7	165.1	0	0	0	110.9	F673 W674 R681 S682 V685 L734 V745 V784	F673-I677 HydrophobicContact CD1-CD1 3.79Å; F673-I677 HydrophobicContact CE1-CD1 3.33Å; F673-I677 HydrophobicContact CE1-CG1 4.5Å; F673-I677 HydrophobicContact CZ-CD1 3.84Å; F673-I677 PolarHBondContact O-N 2.75Å; F673-I677 VanDerWaalsContact O-N 3.12Å; W674-I677 HydrophobicContact CD2-CD1 4.32Å; W674-I677 HydrophobicContact CE3-CB 4.35Å; W674-I677 HydrophobicContact CE3-CD1 3.59Å; W674-I677 HydrophobicContact CE3-CG2 4.35Å; W674-I677 HydrophobicContact CZ3-CD1 3.73Å; W674-I677 HydrophobicContact CZ3-CG2 4.46Å; W674-I677 PolarHBondContact O-N 3.24Å; I677-R681 PolarHBondContact O-N 2.69Å; I677-S682 PolarHBondContact O-N 3.18Å; I677-S682 VanDerWaalsContact O-N 3.07Å; I677-V685 HydrophobicContact CD1-CG2 3.63Å; I677-V685 HydrophobicContact CG1-CG2 4.25Å; I677-L734 HydrophobicContact CG2-CD2 3.84Å; I677-V745 HydrophobicContact CG2-CG1 4.31Å; I677-V745 HydrophobicContact CG2-CG2 3.95Å; I677-V784 HydrophobicContact CG1-CG2 4.12Å
678	W	97.8	Very high	98	Very high	14 Å²	14	25.1 Å²	25.1	5%	0.053	12%	0.117	C	C	.	.	H	α-helix	trans	-65.4	-54.4	175.8	-176.8	-83	0	0	0	112.6	W674 R675 M676 Q680 R681 I714 L734 K736 E741 R743	W674-W678 WeakPolarHBondContact O-CB 3.39Å; W674-W678 PolarHBondContact O-N 2.85Å; R675-W678 PolarHBondContact O-N 3.24Å; M676-W678 PolarHBondContact O-N 3.26Å; W678-Q680 VanDerWaalsContact C-N 3.27Å; W678-Q680 PolarHBondContact O-N 3.47Å; W678-R681 PolarHBondContact O-N 3.24Å; W678-I714 HydrophobicContact CB-CD1 3.89Å; W678-I714 HydrophobicContact CB-CG1 4.41Å; W678-I714 HydrophobicContact CD2-CD1 4.09Å; W678-I714 HydrophobicContact CE3-CD1 4.41Å; W678-I714 HydrophobicContact CG-CD1 3.83Å; W678-L734 HydrophobicContact CE3-CB 3.96Å; W678-L734 HydrophobicContact CE3-CD2 4.35Å; W678-L734 HydrophobicContact CZ3-CB 3.95Å; W678-K736 HydrophobicContact CD2-CB 4.08Å; W678-K736 HydrophobicContact CE3-CB 4.38Å; W678-K736 HydrophobicContact CH2-CB 3.92Å; W678-K736 HydrophobicContact CZ2-CB 3.59Å; W678-K736 HydrophobicContact CZ2-CD 4.42Å; W678-K736 HydrophobicContact CZ3-CB 4.3Å; W678-E741 HydrophobicContact CH2-CB 3.89Å; W678-E741 HydrophobicContact CH2-CG 3.91Å; W678-E741 WeakPolarHBondContact CH2-O 3.37Å; W678-E741 HydrophobicContact CZ2-CB 4.04Å; W678-E741 HydrophobicContact CZ2-CG 4.11Å; W678-E741 WeakPolarHBondContact CZ2-OE2 3.28Å; W678-R743 HydrophobicContact CH2-CG 4.26Å; W678-R743 HydrophobicContact CZ3-CB 4.32Å; W678-R743 HydrophobicContact CZ3-CG 4.03Å; W678-R743 PolarHBondContact O-NH1 3.23Å
679	E	97.3	Very high	98	Very high	45 Å²	45	18.9 Å²	18.9	21%	0.21	9%	0.088	C	C	.	.	H	α-helix	trans	-63.3	-35.7	-176	-70.9	-179.8	-158.8	0	0	111.6	S634 R675 M676 R681	S634-E679 PolarHBondContact N-OE2 3.35Å; S634-E679 VanDerWaalsContact OG-CD 3.31Å; S634-E679 PolarHBondContact OG-OE1 3.29Å; S634-E679 PolarHBondContact OG-OE2 2.82Å; R675-E679 WeakPolarHBondContact CD-OE1 3.39Å; R675-E679 HydrophobicContact CG-CG 4.2Å; R675-E679 WeakPolarHBondContact CG-OE1 3.43Å; R675-E679 IonicContact CZ-OE1 3.21Å; R675-E679 IonicContact NH1-OE1 2.69Å; R675-E679 PolarHBondContact NH1-OE1 2.96Å; R675-E679 WeakPolarHBondContact O-CB 3.47Å; R675-E679 WeakPolarHBondContact O-CG 3.27Å; R675-E679 PolarHBondContact O-N 3.44Å; M676-E679 PolarHBondContact O-N 3.35Å; E679-R681 VanDerWaalsContact C-N 3.31Å; E679-R681 PolarHBondContact O-N 3.21Å
680	Q	98	Very high	97.9	Very high	38 Å²	38	22.2 Å²	22.2	18%	0.178	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-1.5	180	-59.2	-54.7	-37.9	0	0	114.3	V631 Y649 I660 M676 W678 S682 G781	V631-Q680 HydrophobicContact CG1-CG 4.16Å; Y649-Q680 PolarHBondContact OH-NE2 3.35Å; Y649-Q680 VanDerWaalsContact OH-NE2 3.11Å; Y649-Q680 PolarHBondContact OH-OE1 2.7Å; I660-Q680 HydrophobicContact CD1-CB 3.96Å; I660-Q680 HydrophobicContact CD1-CG 3.73Å; M676-Q680 HydrophobicContact CG-CG 4.12Å; M676-Q680 VanDerWaalsContact O-CB 3.25Å; M676-Q680 WeakPolarHBondContact O-CB 3.37Å; M676-Q680 WeakPolarHBondContact O-CG 3.19Å; M676-Q680 PolarHBondContact O-N 3.25Å; W678-Q680 VanDerWaalsContact C-N 3.27Å; W678-Q680 PolarHBondContact O-N 3.47Å; Q680-S682 PolarHBondContact O-N 3.27Å; Q680-G781 WeakPolarHBondContact O-CA 3.27Å
681	R	97.4	Very high	97.6	Very high	170 Å²	170	23.3 Å²	23.3	64%	0.642	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	35	-177	-51.6	-173.8	173.5	-144.4	-2.3	112.7	I677 W678 E679 A683 G781	I677-R681 PolarHBondContact O-N 2.69Å; W678-R681 PolarHBondContact O-N 3.24Å; E679-R681 VanDerWaalsContact C-N 3.31Å; E679-R681 PolarHBondContact O-N 3.21Å; R681-A683 PolarHBondContact O-N 3.09Å; R681-G781 PolarHBondContact O-N 2.92Å
682	S	98.1	Very high	97.4	Very high	4 Å²	4	27.7 Å²	27.7	3%	0.028	13%	0.125	C	C	.	.			trans	-73.4	123	179.3	-61.1	0	0	0	0	109.9	I677 Q680 V745 P782 V784	I677-S682 PolarHBondContact O-N 3.18Å; I677-S682 VanDerWaalsContact O-N 3.07Å; Q680-S682 PolarHBondContact O-N 3.27Å; S682-V745 WeakPolarHBondContact O-CG2 3.41Å; S682-P782 VanDerWaalsContact CB-O 3.31Å; S682-P782 WeakPolarHBondContact CB-O 3.05Å; S682-P782 PolarHBondContact OG-O 3.36Å; S682-V784 WeakPolarHBondContact OG-CG2 3.4Å
683	A	98.1	Very high	96.7	Very high	17 Å²	17	26.3 Å²	26.3	14%	0.14	12%	0.118	C	C	.	.			trans	-92.2	-18.8	176.6	0	0	0	0	0	112.9	R681 V745 R746 P777 A780	R681-A683 PolarHBondContact O-N 3.09Å; A683-V745 CarbonylContact O-C 3.58Å; A683-V745 WeakPolarHBondContact O-CA 3.44Å; A683-R746 PolarHBondContact O-N 3.37Å; A683-P777 HydrophobicContact CB-CG 3.97Å; A683-A780 HydrophobicContact CB-CB 3.65Å
684	I	98.5	Very high	95.8	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.1	-173.7	-59.3	-63.8	0	0	0	110.6	V686 R746 F748 V772 C775 N776 M783 V784	I684-V686 HydrophobicContact CG2-CG2 3.94Å; I684-R746 WeakPolarHBondContact CA-O 3.4Å; I684-R746 HydrophobicContact CD1-CB 4.04Å; I684-F748 HydrophobicContact CD1-CD2 4.45Å; I684-F748 HydrophobicContact CD1-CE2 3.88Å; I684-F748 HydrophobicContact CG2-CD2 4.15Å; I684-V772 HydrophobicContact CG2-CG1 3.88Å; I684-C775 HydrophobicContact CD1-CB 4.41Å; I684-N776 HydrophobicContact CG1-CB 3.79Å; I684-N776 WeakPolarHBondContact CG1-OD1 3.34Å; I684-M783 HydrophobicContact CB-CG 4.17Å; I684-M783 HydrophobicContact CB-SD 4.41Å; I684-M783 HydrophobicContact CG2-CG 4.47Å; I684-M783 HydrophobicContact CG2-SD 4.25Å; I684-V784 PolarHBondContact O-N 3.46Å
685	V	98.8	Very high	95.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125.9	169.7	-176.8	0	0	0	0	108.7	F673 I677 Y702 V745 R746 Q747 F748 V784	F673-V685 HydrophobicContact CZ-CG1 4.16Å; I677-V685 HydrophobicContact CD1-CG2 3.63Å; I677-V685 HydrophobicContact CG1-CG2 4.25Å; V685-Y702 WeakPolarHBondContact CG1-OH 3.42Å; V685-V745 HydrophobicContact CG2-CG1 3.88Å; V685-R746 PolarHBondContact N-O 3.17Å; V685-Q747 HydrophobicContact CB-CB 4.32Å; V685-Q747 HydrophobicContact CB-CG 4.34Å; V685-Q747 HydrophobicContact CG1-CG 4.34Å; V685-Q747 CarbonylContact O-C 3.53Å; V685-Q747 VanDerWaalsContact O-CA 3.25Å; V685-Q747 WeakPolarHBondContact O-CA 3.47Å; V685-F748 PolarHBondContact O-N 3.27Å; V685-V784 CarbonylContact C-O 3.59Å; V685-V784 WeakPolarHBondContact CA-O 3.27Å; V685-V784 HydrophobicContact CG1-CG1 4.49Å; V685-V784 HydrophobicContact CG2-CB 4.4Å
686	V	98.8	Very high	94.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	112.8	178.5	-176.6	0	0	0	0	108.4	I684 M688 F748 F768 V772 V784 V785 H786 F797	I684-V686 HydrophobicContact CG2-CG2 3.94Å; V686-M688 HydrophobicContact CG1-CG 4.15Å; V686-M688 HydrophobicContact CG1-SD 3.69Å; V686-F748 CarbonylContact C-O 3.36Å; V686-F748 WeakPolarHBondContact CA-O 3.35Å; V686-F768 HydrophobicContact CG1-CE1 3.79Å; V686-F768 HydrophobicContact CG1-CZ 3.82Å; V686-V772 HydrophobicContact CG2-CG1 3.7Å; V686-V772 HydrophobicContact CG2-CG2 4.42Å; V686-V784 PolarHBondContact N-O 2.76Å; V686-V785 HydrophobicContact CB-CB 4.35Å; V686-V785 HydrophobicContact CB-CG1 4.05Å; V686-V785 HydrophobicContact CB-CG2 4.14Å; V686-V785 HydrophobicContact CG1-CG1 4.13Å; V686-V785 HydrophobicContact CG2-CG2 4.33Å; V686-V785 WeakPolarHBondContact O-CA 3.03Å; V686-H786 PolarHBondContact O-N 3.3Å; V686-F797 HydrophobicContact CG1-CD1 4.4Å; V686-F797 HydrophobicContact CG1-CD2 3.95Å; V686-F797 HydrophobicContact CG1-CE1 4.28Å; V686-F797 HydrophobicContact CG1-CE2 3.82Å; V686-F797 HydrophobicContact CG1-CG 4.26Å; V686-F797 HydrophobicContact CG1-CZ 4Å; V686-F797 HydrophobicContact CG2-CE1 4.15Å; V686-F797 HydrophobicContact CG2-CZ 3.95Å
687	M	98.7	Very high	94	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	110.9	179.3	177.1	174.4	-173.3	0	0	109.9	T689 L691 C699 Y702 W703 F748 Q749 F750 H786	M687-T689 HydrophobicContact CE-CG2 4.03Å; M687-T689 WeakPolarHBondContact CE-O 3.46Å; M687-T689 HydrophobicContact CG-CG2 4.39Å; M687-T689 PolarHBondContact O-N 2.82Å; M687-L691 HydrophobicContact CE-CD2 3.91Å; M687-L691 HydrophobicContact CE-CG 4.5Å; M687-C699 HydrophobicContact CE-CB 3.88Å; M687-Y702 HydrophobicContact SD-CE1 4.48Å; M687-W703 HydrophobicContact CE-CH2 4.05Å; M687-W703 HydrophobicContact CE-CZ3 4.16Å; M687-W703 HydrophobicContact SD-CH2 3.83Å; M687-W703 HydrophobicContact SD-CZ3 3.79Å; M687-F748 PolarHBondContact N-O 3.07Å; M687-Q749 HydrophobicContact CB-CB 4.12Å; M687-Q749 HydrophobicContact CB-CG 4.18Å; M687-Q749 HydrophobicContact CG-CB 4.37Å; M687-Q749 HydrophobicContact CG-CG 3.9Å; M687-Q749 CarbonylContact O-C 3.54Å; M687-Q749 VanDerWaalsContact O-CA 3.3Å; M687-Q749 WeakPolarHBondContact O-CA 3.49Å; M687-Q749 HydrophobicContact SD-CB 4.32Å; M687-Q749 HydrophobicContact SD-CG 3.81Å; M687-F750 PolarHBondContact O-N 2.82Å; M687-H786 WeakPolarHBondContact CB-NE2 3.3Å; M687-H786 VanDerWaalsContact CG-CE1 3.42Å; M687-H786 WeakPolarHBondContact CG-CE1 3.32Å
688	M	98	Very high	93.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.24	C	C	.	.			trans	-96.2	28.3	-173.7	-63.5	-56.9	-51.1	0	0	113.7	V686 F750 W753 F765 F768 V785 H786 C787 R793 F797	V686-M688 HydrophobicContact CG1-CG 4.15Å; V686-M688 HydrophobicContact CG1-SD 3.69Å; M688-F750 HydrophobicContact CE-CB 3.89Å; M688-F750 HydrophobicContact CE-CD1 3.78Å; M688-F750 HydrophobicContact CE-CG 4.04Å; M688-F750 HydrophobicContact SD-CB 4.05Å; M688-W753 HydrophobicContact CE-CE3 3.89Å; M688-W753 HydrophobicContact CE-CZ3 4.12Å; M688-F765 HydrophobicContact CE-CD2 3.94Å; M688-F765 HydrophobicContact CE-CE2 3.43Å; M688-F765 VanDerWaalsContact CE-CE2 3.43Å; M688-F768 HydrophobicContact SD-CE1 3.66Å; M688-F768 HydrophobicContact SD-CZ 4.25Å; M688-V785 HydrophobicContact CG-CG1 4.36Å; M688-H786 PolarHBondContact N-O 2.79Å; M688-C787 HydrophobicContact CB-CB 4.06Å; M688-R793 HydrophobicContact CB-CB 3.86Å; M688-R793 WeakPolarHBondContact O-CD 3.47Å; M688-R793 PolarHBondContact O-NH1 2.98Å; M688-F797 HydrophobicContact CG-CB 4.46Å; M688-F797 HydrophobicContact SD-CB 4.36Å; M688-F797 HydrophobicContact SD-CD2 4.01Å; M688-F797 HydrophobicContact SD-CG 4.42Å
689	T	95.2	Very high	93.7	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.012	24%	0.237	C	C	.	.	S	Bend	trans	-154.2	157.6	-176.5	-166.8	0	0	0	0	111.4	M687 E693 K698 C699 Q749 R793	M687-T689 HydrophobicContact CE-CG2 4.03Å; M687-T689 WeakPolarHBondContact CE-O 3.46Å; M687-T689 HydrophobicContact CG-CG2 4.39Å; M687-T689 PolarHBondContact O-N 2.82Å; T689-E693 PolarHBondContact OG1-OE1 3.41Å; T689-K698 HydrophobicContact CG2-CB 4.46Å; T689-K698 WeakPolarHBondContact OG1-CB 3.35Å; T689-C699 HydrophobicContact CG2-CB 4.05Å; T689-Q749 PolarHBondContact O-NE2 2.67Å; T689-Q749 VanDerWaalsContact O-NE2 3.07Å; T689-R793 PolarHBondContact OG1-NH1 3.42Å
690	K	95.2	Very high	93.7	Very high	79 Å²	79	51 Å²	51	34%	0.343	24%	0.238	S	C	.	.			trans	-76.7	163.7	162.4	-64	-178	-175.4	176.5	0	109.5	E692 E693 T751	K690-E692 PolarHBondContact O-N 2.81Å; K690-E693 HydrophobicContact CB-CG 4.15Å; K690-E693 PolarHBondContact N-OE1 3.04Å; K690-T751 WeakPolarHBondContact CE-O 3.34Å
691	L	93.4	Very high	93.7	Very high	50 Å²	50	52.6 Å²	52.6	26%	0.262	25%	0.246	S	C	.	.	S	Bend	trans	-61.7	-39.9	173.4	-67.7	173.6	0	0	0	110.8	M687 K698 C699 Q701 W703	M687-L691 HydrophobicContact CE-CD2 3.91Å; M687-L691 HydrophobicContact CE-CG 4.5Å; L691-K698 PolarHBondContact O-N 2.82Å; L691-C699 WeakPolarHBondContact CA-O 3.44Å; L691-C699 WeakPolarHBondContact CD2-O 3.44Å; L691-C699 PolarHBondContact O-N 2.88Å; L691-Q701 HydrophobicContact CD1-CB 3.99Å; L691-Q701 HydrophobicContact CD1-CG 4.26Å; L691-Q701 HydrophobicContact CD2-CB 4.02Å; L691-W703 HydrophobicContact CD1-CH2 4.24Å; L691-W703 HydrophobicContact CD1-CZ2 4.34Å; L691-W703 HydrophobicContact CD2-CH2 3.63Å; L691-W703 HydrophobicContact CD2-CZ2 4.48Å; L691-W703 HydrophobicContact CD2-CZ3 4.06Å; L691-W703 HydrophobicContact CG-CH2 4.1Å
692	E	91.5	Very high	93.7	Very high	108 Å²	108	44.5 Å²	44.5	51%	0.505	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	138.2	-177.4	-174.5	170.5	-151.7	0	0	110.8	K690 S695 R696	K690-E692 PolarHBondContact O-N 2.81Å; E692-S695 WeakPolarHBondContact OE1-CA 3.45Å; E692-R696 WeakPolarHBondContact CA-O 3.34Å
693	E	84.4	Confident	93.7	Very high	8 Å²	8	44.8 Å²	44.8	4%	0.037	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	120.5	178.2	-66.8	175.1	-169.5	0	0	107.6	T689 K690 S695 R696 K698 D755 R793	T689-E693 PolarHBondContact OG1-OE1 3.41Å; K690-E693 HydrophobicContact CB-CG 4.15Å; K690-E693 PolarHBondContact N-OE1 3.04Å; E693-S695 PolarHBondContact O-N 2.93Å; E693-R696 PolarHBondContact N-O 2.96Å; E693-R696 WeakPolarHBondContact O-CB 3.41Å; E693-R696 PolarHBondContact O-N 3.18Å; E693-K698 HydrophobicContact CB-CD 4.5Å; E693-K698 HydrophobicContact CB-CG 3.93Å; E693-K698 HydrophobicContact CG-CG 3.88Å; E693-K698 WeakPolarHBondContact OE2-CE 3.33Å; E693-K698 IonicContact OE2-NZ 3.97Å; E693-D755 WeakPolarHBondContact CB-OD1 3.48Å; E693-D755 WeakPolarHBondContact CG-OD1 3.32Å; E693-R793 IonicContact OE1-CZ 2.81Å; E693-R793 IonicContact OE1-NH1 2.75Å; E693-R793 PolarHBondContact OE1-NH1 2.94Å; E693-R793 IonicContact OE1-NH2 3.6Å; E693-R793 PolarHBondContact OE1-NH2 3.39Å; E693-R793 IonicContact OE2-CZ 2.7Å; E693-R793 IonicContact OE2-NH1 2.73Å; E693-R793 IonicContact OE2-NH2 3.57Å; E693-R793 PolarHBondContact OE2-NH2 2.93Å
694	R	78.8	Confident	93.6	Very high	176 Å²	176	44 Å²	44	66%	0.664	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	47.6	-173.5	-56.6	-171.2	171.6	-166.5	-6.1	114.8	R696 D755 H756	R694-R696 PolarHBondContact O-N 2.95Å; R694-D755 HydrophobicContact CG-CB 4.11Å; R694-D755 WeakPolarHBondContact CG-OD2 3.4Å; R694-D755 IonicContact NE-OD2 2.76Å; R694-H756 PolarHBondContact NH1-CD2 2.82Å; R694-H756 PolarHBondContact NH1-NE2 3.38Å; R694-H756 PolarHBondContact NH2-CD2 2.84Å
695	S	84.4	Confident	93.4	Very high	108 Å²	108	48.5 Å²	48.5	76%	0.755	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.2	16.8	-177.9	-40.9	0	0	0	0	114.7	E692 E693	E692-S695 WeakPolarHBondContact OE1-CA 3.45Å; E693-S695 PolarHBondContact O-N 2.93Å
696	R	82.6	Confident	93	Very high	148 Å²	148	58.5 Å²	58.5	56%	0.558	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	120.6	175.6	-172.5	176.2	-179.5	-178.6	2.4	109.5	E692 E693 R694 K698	E692-R696 WeakPolarHBondContact CA-O 3.34Å; E693-R696 PolarHBondContact N-O 2.96Å; E693-R696 WeakPolarHBondContact O-CB 3.41Å; E693-R696 PolarHBondContact O-N 3.18Å; R694-R696 PolarHBondContact O-N 2.95Å; R696-K698 PolarHBondContact O-N 2.78Å
697	V	90.6	Very high	92.7	Very high	73 Å²	73	60.4 Å²	60.4	44%	0.442	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	123.6	174.1	-177.3	0	0	0	0	109.6
698	K	93.3	Very high	92.6	Very high	44 Å²	44	63.4 Å²	63.4	19%	0.191	31%	0.313	C	S	.	.	S	Bend	trans	-103.2	-34.8	176.2	-62.4	-62.9	-173.8	163.7	0	111.3	T689 L691 E693 R696 S788	T689-K698 HydrophobicContact CG2-CB 4.46Å; T689-K698 WeakPolarHBondContact OG1-CB 3.35Å; L691-K698 PolarHBondContact O-N 2.82Å; E693-K698 HydrophobicContact CB-CD 4.5Å; E693-K698 HydrophobicContact CB-CG 3.93Å; E693-K698 HydrophobicContact CG-CG 3.88Å; E693-K698 WeakPolarHBondContact OE2-CE 3.33Å; E693-K698 IonicContact OE2-NZ 3.97Å; R696-K698 PolarHBondContact O-N 2.78Å; K698-S788 WeakPolarHBondContact O-CA 3.5Å; K698-S788 VanDerWaalsContact O-CB 3.24Å; K698-S788 WeakPolarHBondContact O-CB 3.32Å; K698-S788 PolarHBondContact O-OG 2.96Å
699	C	96.1	Very high	92.5	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.007	33%	0.331	C	S	.	.	S	Bend	trans	-149.4	138.9	175.7	-174.9	0	0	0	0	108.2	G664 M687 T689 L691	G664-C699 VanDerWaalsContact CA-SG 3.6Å; M687-C699 HydrophobicContact CE-CB 3.88Å; T689-C699 HydrophobicContact CG2-CB 4.05Å; L691-C699 WeakPolarHBondContact CA-O 3.44Å; L691-C699 WeakPolarHBondContact CD2-O 3.44Å; L691-C699 PolarHBondContact O-N 2.88Å
700	D	97.2	Very high	92.6	Very high	43 Å²	43	70.8 Å²	70.8	23%	0.23	35%	0.353	C	S	.	.			trans	-81.3	151.7	171.8	-60	-86.3	0	0	0	109.6	R619 P667 F670 Y702	R619-D700 IonicContact CZ-OD2 2.94Å; R619-D700 IonicContact NH1-OD2 2.94Å; R619-D700 PolarHBondContact NH1-OD2 3.37Å; R619-D700 IonicContact NH2-OD2 3.64Å; R619-D700 PolarHBondContact NH2-OD2 3.08Å; P667-D700 HydrophobicContact CG-CB 4.35Å; F670-D700 HydrophobicContact CE1-CB 3.96Å; F670-D700 HydrophobicContact CZ-CB 3.69Å; D700-Y702 PolarHBondContact O-N 3.45Å; D700-Y702 VanDerWaalsContact O-N 3.16Å
701	Q	98.2	Very high	92.6	Very high	72 Å²	72	68.1 Å²	68.1	34%	0.336	34%	0.341	S	S	.	.			trans	-76.2	106.8	-178.1	-169	-177	-64.5	0	0	110	F670 L691 W703 T705	F670-Q701 WeakPolarHBondContact CE2-O 3.19Å; F670-Q701 VanDerWaalsContact CZ-O 3.27Å; F670-Q701 WeakPolarHBondContact CZ-O 3.35Å; L691-Q701 HydrophobicContact CD1-CB 3.99Å; L691-Q701 HydrophobicContact CD1-CG 4.26Å; L691-Q701 HydrophobicContact CD2-CB 4.02Å; Q701-W703 HydrophobicContact CG-CD2 3.59Å; Q701-W703 VanDerWaalsContact CG-CE2 3.47Å; Q701-W703 HydrophobicContact CG-CE3 3.88Å; Q701-W703 HydrophobicContact CG-CG 4.14Å; Q701-W703 HydrophobicContact CG-CH2 4.02Å; Q701-W703 HydrophobicContact CG-CZ2 3.71Å; Q701-W703 HydrophobicContact CG-CZ3 4.09Å; Q701-W703 PolarHBondContact NE2-O 2.61Å; Q701-T705 VanDerWaalsContact NE2-CG2 3.25Å
702	Y	97.9	Very high	92.6	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.357	C	S	.	.			trans	-93.2	12.1	-178.6	59.2	-97.1	0	0	0	113.7	A665 F670 F673 W674 V685 M687 D700 Q747 H786	A665-Y702 HydrophobicContact CB-CD1 4.35Å; F670-Y702 VanDerWaalsContact CD1-CB 3.48Å; F673-Y702 AromaticContact CD1-CD2 3.93Å; F673-Y702 HydrophobicContact CD1-CD2 3.93Å; F673-Y702 HydrophobicContact CD1-CE2 4.22Å; F673-Y702 HydrophobicContact CD1-CG 4.28Å; F673-Y702 AromaticContact CE1-CD2 3.58Å; F673-Y702 HydrophobicContact CE1-CD2 3.58Å; F673-Y702 HydrophobicContact CE1-CE1 4.34Å; F673-Y702 AromaticContact CE1-CE2 3.4Å; F673-Y702 HydrophobicContact CE1-CE2 3.4Å; F673-Y702 HydrophobicContact CE1-CG 4.15Å; F673-Y702 AromaticContact CE1-CZ 3.78Å; F673-Y702 HydrophobicContact CZ-CE1 4.41Å; F673-Y702 HydrophobicContact CZ-CE2 4.06Å; F673-Y702 AromaticContact CZ-CZ 3.97Å; W674-Y702 AromaticContact CE2-CD2 3.91Å; W674-Y702 HydrophobicContact CH2-CD2 4.49Å; W674-Y702 HydrophobicContact CH2-CE2 4.37Å; W674-Y702 AromaticContact CZ2-CD2 3.64Å; W674-Y702 HydrophobicContact CZ2-CD2 3.64Å; W674-Y702 AromaticContact CZ2-CE2 3.93Å; W674-Y702 HydrophobicContact CZ2-CE2 3.93Å; W674-Y702 AromaticContact NE1-CD2 3.97Å; W674-Y702 PolarHBondContact NE1-O 3.25Å; V685-Y702 WeakPolarHBondContact CG1-OH 3.42Å; M687-Y702 HydrophobicContact SD-CE1 4.48Å; D700-Y702 PolarHBondContact O-N 3.45Å; D700-Y702 VanDerWaalsContact O-N 3.16Å; Y702-Q747 VanDerWaalsContact CZ-NE2 3.33Å; Y702-Q747 PolarHBondContact OH-NE2 2.86Å; Y702-H786 AromaticContact CE1-CE1 3.6Å; Y702-H786 AromaticContact CE1-NE2 3.44Å; Y702-H786 WeakPolarHBondContact CE1-NE2 3.48Å; Y702-H786 AromaticContact CZ-NE2 3.5Å; Y702-H786 PolarHBondContact OH-NE2 2.79Å
703	W	98.2	Very high	92.7	Very high	9 Å²	9	67.2 Å²	67.2	3%	0.034	35%	0.353	C	S	.	.	S	Bend	trans	-130.5	153.8	-176.7	66.6	88.1	0	0	0	111.4	W674 M687 L691 Q701 F732	W674-W703 HydrophobicContact CZ2-CB 4.38Å; M687-W703 HydrophobicContact CE-CH2 4.05Å; M687-W703 HydrophobicContact CE-CZ3 4.16Å; M687-W703 HydrophobicContact SD-CH2 3.83Å; M687-W703 HydrophobicContact SD-CZ3 3.79Å; L691-W703 HydrophobicContact CD1-CH2 4.24Å; L691-W703 HydrophobicContact CD1-CZ2 4.34Å; L691-W703 HydrophobicContact CD2-CH2 3.63Å; L691-W703 HydrophobicContact CD2-CZ2 4.48Å; L691-W703 HydrophobicContact CD2-CZ3 4.06Å; L691-W703 HydrophobicContact CG-CH2 4.1Å; Q701-W703 HydrophobicContact CG-CD2 3.59Å; Q701-W703 VanDerWaalsContact CG-CE2 3.47Å; Q701-W703 HydrophobicContact CG-CE3 3.88Å; Q701-W703 HydrophobicContact CG-CG 4.14Å; Q701-W703 HydrophobicContact CG-CH2 4.02Å; Q701-W703 HydrophobicContact CG-CZ2 3.71Å; Q701-W703 HydrophobicContact CG-CZ3 4.09Å; Q701-W703 PolarHBondContact NE2-O 2.61Å; W703-F732 HydrophobicContact CB-CE1 3.79Å; W703-F732 HydrophobicContact CB-CZ 3.69Å; W703-F732 HydrophobicContact CG-CE1 4.33Å; W703-F732 AromaticContact CG-CZ 3.98Å; W703-F732 HydrophobicContact CG-CZ 3.98Å
704	P	96.6	Very high	93.3	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.351	C	S	.	.			trans	-69.5	142	178.3	26.7	-34	0	0	0	111.1	R706 E709 Y711 I716 L718	P704-R706 VanDerWaalsContact C-N 3.31Å; P704-E709 HydrophobicContact CB-CB 3.99Å; P704-E709 HydrophobicContact CB-CG 3.77Å; P704-Y711 VanDerWaalsContact N-OH 3.17Å; P704-I716 HydrophobicContact CG-CG2 4.32Å; P704-L718 HydrophobicContact CG-CB 4.18Å
705	T	92.6	Very high	94.1	Very high	98 Å²	98	61.5 Å²	61.5	60%	0.601	33%	0.334	S	S	*	.	S	Bend	trans	-71.3	-29.3	172.8	52.8	0	0	0	0	112.3	Q701	Q701-T705 VanDerWaalsContact NE2-CG2 3.25Å
706	R	90.4	Very high	94.8	Very high	209 Å²	209	56.4 Å²	56.4	79%	0.789	30%	0.298	S	S	*	.	S	Bend	trans	-158	151.2	177.5	61.3	-176.2	-178.2	-168.1	-0.3	110.4	P704	P704-R706 VanDerWaalsContact C-N 3.31Å
707	G	93.6	Very high	95.5	Very high	41 Å²	41	51 Å²	51	42%	0.423	28%	0.282	S	S	.	.	S	Bend	trans	64.7	-135.2	175	0	0	0	0	0	112.6	T717 L718	G707-T717 WeakPolarHBondContact O-CA 3.33Å; G707-L718 PolarHBondContact O-N 2.85Å
708	T	96.7	Very high	95.9	Very high	63 Å²	63	49 Å²	49	39%	0.387	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131.3	-168.6	-52.9	0	0	0	0	111.8	Q715 I716 T717	T708-Q715 HydrophobicContact CG2-CG 3.22Å; T708-I716 VanDerWaalsContact CA-O 3.3Å; T708-I716 WeakPolarHBondContact CA-O 3.32Å; T708-T717 VanDerWaalsContact CG2-OG1 3.22Å; T708-T717 WeakPolarHBondContact CG2-OG1 3.15Å; T708-T717 WeakPolarHBondContact OG1-CB 3.36Å; T708-T717 VanDerWaalsContact OG1-CG2 3.3Å; T708-T717 WeakPolarHBondContact OG1-CG2 3.35Å; T708-T717 PolarHBondContact OG1-OG1 3.4Å
709	E	96.4	Very high	96	Very high	79 Å²	79	51.2 Å²	51.2	37%	0.369	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	155.8	172.6	-75.2	176.8	-150.2	0	0	110.6	P704 Y711 I716	P704-E709 HydrophobicContact CB-CB 3.99Å; P704-E709 HydrophobicContact CB-CG 3.77Å; E709-Y711 HydrophobicContact CB-CE2 4.02Å; E709-Y711 PolarHBondContact OE2-OH 2.81Å; E709-I716 PolarHBondContact N-O 3.3Å; E709-I716 PolarHBondContact O-N 3.45Å
710	T	96.8	Very high	95.9	Very high	77 Å²	77	55.1 Å²	55.1	47%	0.472	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	122.4	179.1	-58.7	0	0	0	0	110
711	Y	95.8	Very high	95.8	Very high	24 Å²	24	55.6 Å²	55.6	9%	0.094	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	104.7	175	-52.8	-78.7	0	0	0	109.1	F670 W674 P704 E709 L713 I714 I716	F670-Y711 HydrophobicContact CB-CD1 3.86Å; F670-Y711 HydrophobicContact CB-CG 4.33Å; F670-Y711 HydrophobicContact CD2-CD1 4.07Å; F670-Y711 HydrophobicContact CD2-CE1 4.11Å; F670-Y711 HydrophobicContact CG-CD1 4.39Å; W674-Y711 AromaticContact CD1-CD2 3.46Å; W674-Y711 VanDerWaalsContact CD1-CD2 3.46Å; W674-Y711 AromaticContact CD1-CG 3.74Å; W674-Y711 HydrophobicContact CG-CD2 4.39Å; W674-Y711 AromaticContact NE1-CD2 3.5Å; W674-Y711 AromaticContact NE1-CE2 3.79Å; P704-Y711 VanDerWaalsContact N-OH 3.17Å; E709-Y711 HydrophobicContact CB-CE2 4.02Å; E709-Y711 PolarHBondContact OE2-OH 2.81Å; Y711-L713 PolarHBondContact O-N 3.32Å; Y711-L713 VanDerWaalsContact O-N 3.16Å; Y711-I714 PolarHBondContact N-O 3.09Å; Y711-I714 PolarHBondContact O-N 3.05Å; Y711-I716 HydrophobicContact CD2-CB 4.23Å; Y711-I716 HydrophobicContact CD2-CG1 3.58Å; Y711-I716 HydrophobicContact CE2-CB 4.08Å; Y711-I716 HydrophobicContact CE2-CG1 3.9Å
712	G	93.1	Very high	95.4	Very high	58 Å²	58	54.4 Å²	54.4	60%	0.598	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	-115.5	-174.3	0	0	0	0	0	111.8
713	L	92.6	Very high	94.9	Very high	80 Å²	80	60.4 Å²	60.4	42%	0.419	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-5.4	-177.7	-57.9	178	0	0	0	113.8	Y711 N737	Y711-L713 PolarHBondContact O-N 3.32Å; Y711-L713 VanDerWaalsContact O-N 3.16Å; L713-N737 PolarHBondContact O-N 3.1Å
714	I	97.1	Very high	94.5	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	126.6	-171.5	-46.2	-60.5	0	0	0	109.6	W674 W678 Y711 I716 L734 F735 K736	W674-I714 HydrophobicContact CB-CB 4.17Å; W674-I714 HydrophobicContact CB-CG1 4.34Å; W674-I714 HydrophobicContact CB-CG2 4.46Å; W678-I714 HydrophobicContact CB-CD1 3.89Å; W678-I714 HydrophobicContact CB-CG1 4.41Å; W678-I714 HydrophobicContact CD2-CD1 4.09Å; W678-I714 HydrophobicContact CE3-CD1 4.41Å; W678-I714 HydrophobicContact CG-CD1 3.83Å; Y711-I714 PolarHBondContact N-O 3.09Å; Y711-I714 PolarHBondContact O-N 3.05Å; I714-I716 HydrophobicContact CB-CD1 4.44Å; I714-I716 HydrophobicContact CG2-CD1 3.57Å; I714-L734 HydrophobicContact CG2-CB 4.36Å; I714-L734 HydrophobicContact CG2-CD2 4.46Å; I714-L734 HydrophobicContact CG2-CG 4.19Å; I714-F735 WeakPolarHBondContact CA-O 3.42Å; I714-K736 HydrophobicContact CD1-CB 3.87Å; I714-K736 HydrophobicContact CD1-CD 4.23Å; I714-K736 HydrophobicContact CD1-CG 3.85Å
715	Q	96.9	Very high	94	Very high	65 Å²	65	61.2 Å²	61.2	30%	0.304	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128	171.8	-176.7	176.7	-4.9	0	0	109.3	T708 L734 F735	T708-Q715 HydrophobicContact CG2-CG 3.22Å; Q715-L734 WeakPolarHBondContact O-CA 3.31Å; Q715-F735 HydrophobicContact CB-CB 4.29Å; Q715-F735 HydrophobicContact CB-CD1 4.41Å; Q715-F735 PolarHBondContact N-O 3.38Å; Q715-F735 PolarHBondContact O-N 3.2Å
716	I	97.8	Very high	93.8	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	121.5	-175.1	-51.1	-60.5	0	0	0	108.6	W674 P704 T708 E709 Y711 I714 F732 L734	W674-I716 HydrophobicContact CB-CD1 4.31Å; W674-I716 HydrophobicContact CD2-CD1 3.46Å; W674-I716 VanDerWaalsContact CD2-CD1 3.46Å; W674-I716 HydrophobicContact CD2-CG1 3.79Å; W674-I716 HydrophobicContact CE3-CD1 3.5Å; W674-I716 HydrophobicContact CE3-CG1 4.29Å; W674-I716 HydrophobicContact CG-CD1 3.84Å; W674-I716 HydrophobicContact CG-CG1 4Å; W674-I716 HydrophobicContact CH2-CD1 4.39Å; W674-I716 HydrophobicContact CH2-CG2 4.17Å; W674-I716 HydrophobicContact CZ2-CD1 4.36Å; W674-I716 HydrophobicContact CZ2-CG1 4.25Å; W674-I716 HydrophobicContact CZ2-CG2 4.01Å; W674-I716 HydrophobicContact CZ3-CD1 4Å; P704-I716 HydrophobicContact CG-CG2 4.32Å; T708-I716 VanDerWaalsContact CA-O 3.3Å; T708-I716 WeakPolarHBondContact CA-O 3.32Å; E709-I716 PolarHBondContact N-O 3.3Å; E709-I716 PolarHBondContact O-N 3.45Å; Y711-I716 HydrophobicContact CD2-CB 4.23Å; Y711-I716 HydrophobicContact CD2-CG1 3.58Å; Y711-I716 HydrophobicContact CE2-CB 4.08Å; Y711-I716 HydrophobicContact CE2-CG1 3.9Å; I714-I716 HydrophobicContact CB-CD1 4.44Å; I714-I716 HydrophobicContact CG2-CD1 3.57Å; I716-F732 HydrophobicContact CG2-CB 4.16Å; I716-F732 HydrophobicContact CG2-CD1 3.69Å; I716-F732 HydrophobicContact CG2-CE1 4.39Å; I716-F732 HydrophobicContact CG2-CG 4.12Å; I716-L734 HydrophobicContact CD1-CB 4.48Å; I716-L734 HydrophobicContact CD1-CD1 3.78Å; I716-L734 HydrophobicContact CD1-CD2 4.31Å; I716-L734 HydrophobicContact CD1-CG 3.5Å
717	T	97.9	Very high	93.9	Very high	36 Å²	36	48 Å²	48	22%	0.221	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.4	175	-54.9	0	0	0	0	109.6	G707 T708 L719 F732 A733	G707-T717 WeakPolarHBondContact O-CA 3.33Å; T708-T717 VanDerWaalsContact CG2-OG1 3.22Å; T708-T717 WeakPolarHBondContact CG2-OG1 3.15Å; T708-T717 WeakPolarHBondContact OG1-CB 3.36Å; T708-T717 VanDerWaalsContact OG1-CG2 3.3Å; T708-T717 WeakPolarHBondContact OG1-CG2 3.35Å; T708-T717 PolarHBondContact OG1-OG1 3.4Å; T717-L719 HydrophobicContact CG2-CD2 4.08Å; T717-L719 PolarHBondContact O-N 3.16Å; T717-F732 CarbonylContact O-C 3.52Å; T717-F732 VanDerWaalsContact O-CA 3.24Å; T717-F732 WeakPolarHBondContact O-CA 3.41Å; T717-A733 PolarHBondContact N-O 3.46Å; T717-A733 PolarHBondContact O-N 2.78Å
718	L	98	Very high	93.9	Very high	30 Å²	30	46.3 Å²	46.3	16%	0.157	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	117.9	170.3	179.8	65.6	0	0	0	109.1	P704 G707 D720 R730 F732	P704-L718 HydrophobicContact CG-CB 4.18Å; G707-L718 PolarHBondContact O-N 2.85Å; L718-D720 WeakPolarHBondContact CD1-O 3.43Å; L718-R730 HydrophobicContact CD1-CB 4.03Å; L718-R730 HydrophobicContact CD1-CG 4.44Å; L718-F732 HydrophobicContact CB-CD1 4.31Å; L718-F732 HydrophobicContact CB-CE1 4.22Å; L718-F732 HydrophobicContact CD1-CD1 3.96Å; L718-F732 HydrophobicContact CD1-CE1 3.49Å; L718-F732 VanDerWaalsContact CD1-CE1 3.49Å; L718-F732 HydrophobicContact CD1-CZ 4.1Å; L718-F732 HydrophobicContact CG-CE1 4.45Å
719	L	96.9	Very high	93.9	Very high	90 Å²	90	44.2 Å²	44.2	47%	0.471	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-42.7	179.7	-59.1	-178.2	0	0	0	112	T717 T731 A733	T717-L719 HydrophobicContact CG2-CD2 4.08Å; T717-L719 PolarHBondContact O-N 3.16Å; L719-T731 HydrophobicContact CB-CG2 4.47Å; L719-T731 WeakPolarHBondContact CB-O 2.96Å; L719-T731 HydrophobicContact CD1-CG2 4.24Å; L719-T731 PolarHBondContact N-O 3.07Å; L719-A733 HydrophobicContact CD1-CB 3.97Å; L719-A733 HydrophobicContact CD2-CB 4.08Å; L719-A733 HydrophobicContact CG-CB 4.13Å
720	D	94.2	Very high	93.9	Very high	84 Å²	84	41.7 Å²	41.7	45%	0.449	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	151.7	-173.7	-175.3	35.4	0	0	0	111.4	L718 V722 R730 T731	L718-D720 WeakPolarHBondContact CD1-O 3.43Å; D720-V722 WeakPolarHBondContact OD2-CG2 3.42Å; D720-R730 WeakPolarHBondContact O-CA 3.49Å; D720-T731 PolarHBondContact N-O 2.89Å; D720-T731 PolarHBondContact O-N 2.82Å
721	T	93.9	Very high	94	Very high	52 Å²	52	38.9 Å²	38.9	32%	0.319	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	120.4	174.6	-63.9	0	0	0	0	110	E723 V729 R730	T721-E723 HydrophobicContact CG2-CG 4.16Å; T721-V729 CarbonylContact C-O 3.57Å; T721-V729 WeakPolarHBondContact CA-O 3.3Å; T721-R730 HydrophobicContact CG2-CG 4.17Å
722	V	89.7	Confident	94.1	Very high	47 Å²	47	37.8 Å²	37.8	29%	0.285	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	110.2	175.9	-174.9	0	0	0	0	108.6	D720 L724 C728 V729	D720-V722 WeakPolarHBondContact OD2-CG2 3.42Å; V722-L724 HydrophobicContact CG1-CD2 4.12Å; V722-L724 HydrophobicContact CG1-CG 4.19Å; V722-C728 CarbonylContact O-C 3.52Å; V722-C728 WeakPolarHBondContact O-CA 3.43Å; V722-V729 HydrophobicContact CB-CB 4.44Å; V722-V729 PolarHBondContact N-O 3.14Å; V722-V729 PolarHBondContact O-N 2.96Å
723	E	88.1	Confident	94.3	Very high	126 Å²	126	35.3 Å²	35.3	59%	0.589	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	122.9	174.2	-65.6	-172.2	167.4	0	0	110.6	T721	T721-E723 HydrophobicContact CG2-CG 4.16Å
724	L	88.5	Confident	94.6	Very high	16 Å²	16	31.5 Å²	31.5	8%	0.084	17%	0.168	C	C	.	.			trans	-117.6	167.7	175.4	-57	173.2	0	0	0	109.5	V722 T726 Y727 Y942 R943	V722-L724 HydrophobicContact CG1-CD2 4.12Å; V722-L724 HydrophobicContact CG1-CG 4.19Å; L724-T726 PolarHBondContact O-N 2.9Å; L724-T726 VanDerWaalsContact O-N 3.14Å; L724-Y727 CarbonylContact C-O 3.59Å; L724-Y727 WeakPolarHBondContact CA-O 3.33Å; L724-Y727 VanDerWaalsContact CB-O 3.28Å; L724-Y727 WeakPolarHBondContact CB-O 3.42Å; L724-Y727 HydrophobicContact CD1-CD2 4.2Å; L724-Y727 HydrophobicContact CD1-CE1 3.84Å; L724-Y727 HydrophobicContact CD1-CE2 3.5Å; L724-Y727 VanDerWaalsContact CD1-OH 3.29Å; L724-Y727 WeakPolarHBondContact CD1-OH 3.29Å; L724-Y727 PolarHBondContact N-O 3.43Å; L724-Y727 VanDerWaalsContact O-O 3.12Å; L724-Y942 HydrophobicContact CD2-CD1 4.24Å; L724-Y942 HydrophobicContact CD2-CD2 4.36Å; L724-Y942 HydrophobicContact CD2-CE1 3.68Å; L724-Y942 HydrophobicContact CD2-CE2 3.8Å; L724-Y942 VanDerWaalsContact CD2-CZ 3.42Å; L724-R943 CarbonylContact C-O 3.53Å; L724-R943 VanDerWaalsContact C-O 3.22Å
725	A	86.3	Confident	94.5	Very high	10 Å²	10	35 Å²	35	8%	0.083	18%	0.183	C	C	.	.	S	Bend	trans	-58.2	-34.4	-173.4	0	0	0	0	0	113.6	D940 G941 Y942 R943 Q945	A725-D940 HydrophobicContact CB-CB 4.47Å; A725-G941 VanDerWaalsContact CB-O 3.22Å; A725-G941 WeakPolarHBondContact CB-O 3.45Å; A725-Y942 PolarHBondContact N-O 3Å; A725-R943 PolarHBondContact N-O 2.95Å; A725-Q945 HydrophobicContact CB-CG 4.49Å; A725-Q945 WeakPolarHBondContact O-CG 3.27Å
726	T	88.9	Confident	94.3	Very high	14 Å²	14	35.2 Å²	35.2	9%	0.086	18%	0.183	C	C	.	.	S	Bend	trans	-121.1	-6.8	-172	59.8	0	0	0	0	114.2	L724 F750 T751 A752 P764	L724-T726 PolarHBondContact O-N 2.9Å; L724-T726 VanDerWaalsContact O-N 3.14Å; T726-F750 WeakPolarHBondContact O-CD2 3.36Å; T726-T751 PolarHBondContact O-N 2.78Å; T726-T751 PolarHBondContact O-OG1 2.8Å; T726-T751 VanDerWaalsContact O-OG1 3.1Å; T726-A752 HydrophobicContact CG2-CB 3.84Å; T726-A752 PolarHBondContact O-N 3.32Å; T726-P764 HydrophobicContact CG2-CB 4.07Å
727	Y	92.8	Very high	93.6	Very high	16 Å²	16	39 Å²	39	6%	0.063	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	161.8	174.9	64.7	-84	0	0	0	112.4	L724 V729 F748 Q749 T751 F768 R771	L724-Y727 CarbonylContact C-O 3.59Å; L724-Y727 WeakPolarHBondContact CA-O 3.33Å; L724-Y727 VanDerWaalsContact CB-O 3.28Å; L724-Y727 WeakPolarHBondContact CB-O 3.42Å; L724-Y727 HydrophobicContact CD1-CD2 4.2Å; L724-Y727 HydrophobicContact CD1-CE1 3.84Å; L724-Y727 HydrophobicContact CD1-CE2 3.5Å; L724-Y727 VanDerWaalsContact CD1-OH 3.29Å; L724-Y727 WeakPolarHBondContact CD1-OH 3.29Å; L724-Y727 PolarHBondContact N-O 3.43Å; L724-Y727 VanDerWaalsContact O-O 3.12Å; Y727-V729 HydrophobicContact CD2-CG2 3.75Å; Y727-V729 HydrophobicContact CE2-CG2 3.6Å; Y727-F748 HydrophobicContact CE2-CD1 4.49Å; Y727-Q749 CarbonylContact C-O 3.58Å; Y727-Q749 WeakPolarHBondContact CA-O 3.39Å; Y727-Q749 WeakPolarHBondContact CB-O 3.31Å; Y727-T751 PolarHBondContact N-OG1 2.79Å; Y727-F768 HydrophobicContact CD1-CB 4.39Å; Y727-F768 HydrophobicContact CD1-CD2 4.01Å; Y727-F768 AromaticContact CD2-CD2 3.93Å; Y727-F768 HydrophobicContact CD2-CD2 3.93Å; Y727-F768 HydrophobicContact CD2-CE2 4.29Å; Y727-F768 AromaticContact CG-CD2 3.59Å; Y727-F768 HydrophobicContact CG-CD2 3.59Å; Y727-F768 HydrophobicContact CG-CE2 4.17Å; Y727-R771 HydrophobicContact CE2-CG 4.26Å
728	C	94.3	Very high	92.8	Very high	6 Å²	6	41.6 Å²	41.6	4%	0.041	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.9	173.5	178.4	0	0	0	0	109.4	V722 R730 Q749	V722-C728 CarbonylContact O-C 3.52Å; V722-C728 WeakPolarHBondContact O-CA 3.43Å; C728-R730 VanDerWaalsContact SG-CZ 3.57Å; C728-Q749 HydrophobicContact CB-CB 4.38Å; C728-Q749 PolarHBondContact N-O 3.08Å; C728-Q749 PolarHBondContact O-N 3.34Å
729	V	95.6	Very high	92.4	Very high	19 Å²	19	42 Å²	42	12%	0.115	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.8	173.4	-170.5	0	0	0	0	108.9	T721 V722 Y727 Q747 F748	T721-V729 CarbonylContact C-O 3.57Å; T721-V729 WeakPolarHBondContact CA-O 3.3Å; V722-V729 HydrophobicContact CB-CB 4.44Å; V722-V729 PolarHBondContact N-O 3.14Å; V722-V729 PolarHBondContact O-N 2.96Å; Y727-V729 HydrophobicContact CD2-CG2 3.75Å; Y727-V729 HydrophobicContact CE2-CG2 3.6Å; V729-Q747 CarbonylContact C-O 3.56Å; V729-Q747 VanDerWaalsContact CA-O 3.32Å; V729-Q747 WeakPolarHBondContact CA-O 3.43Å; V729-F748 HydrophobicContact CB-CE1 4.34Å; V729-F748 HydrophobicContact CG1-CD1 4.25Å; V729-F748 HydrophobicContact CG1-CE1 3.82Å; V729-F748 HydrophobicContact CG1-CE2 4.3Å; V729-F748 HydrophobicContact CG1-CZ 3.85Å; V729-F748 HydrophobicContact CG2-CD1 3.66Å; V729-F748 HydrophobicContact CG2-CE1 3.54Å; V729-F748 HydrophobicContact CG2-CZ 4.4Å
730	R	97.6	Very high	92	Very high	26 Å²	26	43.6 Å²	43.6	10%	0.098	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.3	174.3	-59.8	-172.8	-177.7	85.1	5.1	109.9	L718 D720 T721 C728 F732 R746 Q747	L718-R730 HydrophobicContact CD1-CB 4.03Å; L718-R730 HydrophobicContact CD1-CG 4.44Å; D720-R730 WeakPolarHBondContact O-CA 3.49Å; T721-R730 HydrophobicContact CG2-CG 4.17Å; C728-R730 VanDerWaalsContact SG-CZ 3.57Å; R730-F732 HydrophobicContact CB-CD2 4.46Å; R730-F732 HydrophobicContact CB-CE1 4.36Å; R730-F732 HydrophobicContact CB-CE2 3.6Å; R730-F732 HydrophobicContact CB-CZ 3.53Å; R730-F732 HydrophobicContact CG-CZ 4.37Å; R730-R746 CarbonylContact O-C 3.54Å; R730-R746 VanDerWaalsContact O-CA 3.29Å; R730-R746 WeakPolarHBondContact O-CA 3.33Å; R730-Q747 HydrophobicContact CB-CB 4.41Å; R730-Q747 PolarHBondContact N-O 3.32Å; R730-Q747 PolarHBondContact O-N 2.77Å
731	T	97.8	Very high	92	Very high	18 Å²	18	43.1 Å²	43.1	11%	0.11	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	127.3	177.1	-54.2	0	0	0	0	109.2	L719 D720 E744 R746	L719-T731 HydrophobicContact CB-CG2 4.47Å; L719-T731 WeakPolarHBondContact CB-O 2.96Å; L719-T731 HydrophobicContact CD1-CG2 4.24Å; L719-T731 PolarHBondContact N-O 3.07Å; D720-T731 PolarHBondContact N-O 2.89Å; D720-T731 PolarHBondContact O-N 2.82Å; T731-E744 HydrophobicContact CG2-CG 3.73Å; T731-R746 HydrophobicContact CG2-CG 4.18Å
732	F	98.4	Very high	91.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143	-176.8	-57.8	-76.5	0	0	0	111.6	W674 W703 I716 T717 L718 R730 L734 E744 V745 Q747	W674-F732 HydrophobicContact CH2-CD2 4.13Å; W674-F732 HydrophobicContact CH2-CE2 4.38Å; W674-F732 HydrophobicContact CH2-CG 4.37Å; W703-F732 HydrophobicContact CB-CE1 3.79Å; W703-F732 HydrophobicContact CB-CZ 3.69Å; W703-F732 HydrophobicContact CG-CE1 4.33Å; W703-F732 AromaticContact CG-CZ 3.98Å; W703-F732 HydrophobicContact CG-CZ 3.98Å; I716-F732 HydrophobicContact CG2-CB 4.16Å; I716-F732 HydrophobicContact CG2-CD1 3.69Å; I716-F732 HydrophobicContact CG2-CE1 4.39Å; I716-F732 HydrophobicContact CG2-CG 4.12Å; T717-F732 CarbonylContact O-C 3.52Å; T717-F732 VanDerWaalsContact O-CA 3.24Å; T717-F732 WeakPolarHBondContact O-CA 3.41Å; L718-F732 HydrophobicContact CB-CD1 4.31Å; L718-F732 HydrophobicContact CB-CE1 4.22Å; L718-F732 HydrophobicContact CD1-CD1 3.96Å; L718-F732 HydrophobicContact CD1-CE1 3.49Å; L718-F732 VanDerWaalsContact CD1-CE1 3.49Å; L718-F732 HydrophobicContact CD1-CZ 4.1Å; L718-F732 HydrophobicContact CG-CE1 4.45Å; R730-F732 HydrophobicContact CB-CD2 4.46Å; R730-F732 HydrophobicContact CB-CE1 4.36Å; R730-F732 HydrophobicContact CB-CE2 3.6Å; R730-F732 HydrophobicContact CB-CZ 3.53Å; R730-F732 HydrophobicContact CG-CZ 4.37Å; F732-L734 HydrophobicContact CB-CD1 3.88Å; F732-E744 CarbonylContact O-C 3.48Å; F732-E744 WeakPolarHBondContact O-CA 2.97Å; F732-V745 PolarHBondContact N-O 3.43Å; F732-V745 PolarHBondContact O-N 3.08Å; F732-Q747 HydrophobicContact CD2-CB 4.4Å; F732-Q747 HydrophobicContact CE2-CB 3.65Å
733	A	97.8	Very high	92.2	Very high	6 Å²	6	47.5 Å²	47.5	5%	0.05	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125.4	160.5	0	0	0	0	0	110	T717 L719 K742 R743	T717-A733 PolarHBondContact N-O 3.46Å; T717-A733 PolarHBondContact O-N 2.78Å; L719-A733 HydrophobicContact CD1-CB 3.97Å; L719-A733 HydrophobicContact CD2-CB 4.08Å; L719-A733 HydrophobicContact CG-CB 4.13Å; A733-K742 VanDerWaalsContact CB-CE 3.41Å; A733-R743 CarbonylContact C-O 3.45Å; A733-R743 WeakPolarHBondContact CA-O 3.33Å
734	L	97.3	Very high	92.6	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	137.5	175	-82.8	59.7	0	0	0	109.8	W674 I677 W678 I714 Q715 I716 F732 K742 R743 V745	W674-L734 HydrophobicContact CE3-CD1 4.41Å; W674-L734 HydrophobicContact CE3-CD2 4.09Å; W674-L734 HydrophobicContact CE3-CG 4.41Å; W674-L734 HydrophobicContact CZ3-CD1 4Å; W674-L734 HydrophobicContact CZ3-CD2 4.3Å; W674-L734 HydrophobicContact CZ3-CG 4.47Å; I677-L734 HydrophobicContact CG2-CD2 3.84Å; W678-L734 HydrophobicContact CE3-CB 3.96Å; W678-L734 HydrophobicContact CE3-CD2 4.35Å; W678-L734 HydrophobicContact CZ3-CB 3.95Å; I714-L734 HydrophobicContact CG2-CB 4.36Å; I714-L734 HydrophobicContact CG2-CD2 4.46Å; I714-L734 HydrophobicContact CG2-CG 4.19Å; Q715-L734 WeakPolarHBondContact O-CA 3.31Å; I716-L734 HydrophobicContact CD1-CB 4.48Å; I716-L734 HydrophobicContact CD1-CD1 3.78Å; I716-L734 HydrophobicContact CD1-CD2 4.31Å; I716-L734 HydrophobicContact CD1-CG 3.5Å; F732-L734 HydrophobicContact CB-CD1 3.88Å; L734-K742 WeakPolarHBondContact O-CA 3.47Å; L734-R743 HydrophobicContact CB-CB 4.41Å; L734-R743 PolarHBondContact N-O 3.46Å; L734-R743 PolarHBondContact O-N 2.79Å; L734-V745 HydrophobicContact CD1-CB 3.84Å; L734-V745 HydrophobicContact CD1-CG2 3.71Å; L734-V745 HydrophobicContact CD2-CG2 3.66Å; L734-V745 HydrophobicContact CG-CG2 4.25Å
735	F	95.4	Very high	93.1	Very high	74 Å²	74	45.5 Å²	45.5	33%	0.325	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	128.8	173.5	179.1	-98.5	0	0	0	109.6	I714 Q715 S739	I714-F735 WeakPolarHBondContact CA-O 3.42Å; Q715-F735 HydrophobicContact CB-CB 4.29Å; Q715-F735 HydrophobicContact CB-CD1 4.41Å; Q715-F735 PolarHBondContact N-O 3.38Å; Q715-F735 PolarHBondContact O-N 3.2Å; F735-S739 WeakPolarHBondContact CE2-O 3.34Å; F735-S739 WeakPolarHBondContact CZ-O 3.25Å
736	K	92.8	Very high	93.7	Very high	69 Å²	69	49 Å²	49	30%	0.3	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	126	175.8	-179.1	174.6	179.6	-179.6	0	109.7	W678 I714 G738 S739	W678-K736 HydrophobicContact CD2-CB 4.08Å; W678-K736 HydrophobicContact CE3-CB 4.38Å; W678-K736 HydrophobicContact CH2-CB 3.92Å; W678-K736 HydrophobicContact CZ2-CB 3.59Å; W678-K736 HydrophobicContact CZ2-CD 4.42Å; W678-K736 HydrophobicContact CZ3-CB 4.3Å; I714-K736 HydrophobicContact CD1-CB 3.87Å; I714-K736 HydrophobicContact CD1-CD 4.23Å; I714-K736 HydrophobicContact CD1-CG 3.85Å; K736-G738 PolarHBondContact O-N 2.83Å; K736-S739 WeakPolarHBondContact O-CB 3.4Å; K736-S739 PolarHBondContact O-N 3.45Å
737	N	82.9	Confident	94.1	Very high	79 Å²	79	48.4 Å²	48.4	42%	0.422	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	125.4	179.3	-69	-6.5	0	0	0	110.7	L713	L713-N737 PolarHBondContact O-N 3.1Å
738	G	82.8	Confident	94.4	Very high	91 Å²	91	47.7 Å²	47.7	94%	0.938	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.5	-1.8	-176.2	0	0	0	0	0	115.4	K736	K736-G738 PolarHBondContact O-N 2.83Å
739	S	89.4	Confident	94.6	Very high	39 Å²	39	48 Å²	48	27%	0.273	26%	0.262	S	S	.	.			trans	-110.9	152.7	170.3	-176.2	0	0	0	0	110.5	F735 K736 E741	F735-S739 WeakPolarHBondContact CE2-O 3.34Å; F735-S739 WeakPolarHBondContact CZ-O 3.25Å; K736-S739 WeakPolarHBondContact O-CB 3.4Å; K736-S739 PolarHBondContact O-N 3.45Å; S739-E741 VanDerWaalsContact C-N 3.34Å; S739-E741 VanDerWaalsContact OG-CB 3.26Å; S739-E741 WeakPolarHBondContact OG-CB 3.36Å; S739-E741 PolarHBondContact OG-N 3Å
740	S	88.4	Confident	94.7	Very high	122 Å²	122	47.1 Å²	47.1	85%	0.853	26%	0.256	S	S	*	.			trans	-90	-2.6	167.1	62.2	0	0	0	0	112.8
741	E	93.3	Very high	94.5	Very high	74 Å²	74	47.3 Å²	47.3	35%	0.346	26%	0.261	S	S	.	.			trans	-69.5	133	-178.5	-170.7	179.2	-175	0	0	110.7	W678 S739 R743	W678-E741 HydrophobicContact CH2-CB 3.89Å; W678-E741 HydrophobicContact CH2-CG 3.91Å; W678-E741 WeakPolarHBondContact CH2-O 3.37Å; W678-E741 HydrophobicContact CZ2-CB 4.04Å; W678-E741 HydrophobicContact CZ2-CG 4.11Å; W678-E741 WeakPolarHBondContact CZ2-OE2 3.28Å; S739-E741 VanDerWaalsContact C-N 3.34Å; S739-E741 VanDerWaalsContact OG-CB 3.26Å; S739-E741 WeakPolarHBondContact OG-CB 3.36Å; S739-E741 PolarHBondContact OG-N 3Å; E741-R743 VanDerWaalsContact CD-NH2 3.31Å; E741-R743 HydrophobicContact CG-CG 4.37Å; E741-R743 IonicContact OE1-CZ 2.89Å; E741-R743 IonicContact OE1-NE 3.55Å; E741-R743 PolarHBondContact OE1-NE 3.41Å; E741-R743 IonicContact OE1-NH2 3.92Å; E741-R743 PolarHBondContact OE1-NH2 2.82Å; E741-R743 IonicContact OE2-CZ 3.67Å; E741-R743 IonicContact OE2-NE 2.84Å; E741-R743 IonicContact OE2-NH2 3.61Å; E741-R743 PolarHBondContact OE2-NH2 2.87Å
742	K	93.1	Very high	94.1	Very high	148 Å²	148	47.7 Å²	47.7	64%	0.643	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	136	173.5	-175.7	-177.8	179.8	-175.4	0	108.6	A733 L734	A733-K742 VanDerWaalsContact CB-CE 3.41Å; L734-K742 WeakPolarHBondContact O-CA 3.47Å
743	R	95.6	Very high	93.8	Very high	43 Å²	43	47.9 Å²	47.9	16%	0.162	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	145.2	177.3	-62.9	-174.2	-175.7	165	7.9	111.3	W678 A733 L734 E741	W678-R743 HydrophobicContact CH2-CG 4.26Å; W678-R743 HydrophobicContact CZ3-CB 4.32Å; W678-R743 HydrophobicContact CZ3-CG 4.03Å; W678-R743 PolarHBondContact O-NH1 3.23Å; A733-R743 CarbonylContact C-O 3.45Å; A733-R743 WeakPolarHBondContact CA-O 3.33Å; L734-R743 HydrophobicContact CB-CB 4.41Å; L734-R743 PolarHBondContact N-O 3.46Å; L734-R743 PolarHBondContact O-N 2.79Å; E741-R743 VanDerWaalsContact CD-NH2 3.31Å; E741-R743 HydrophobicContact CG-CG 4.37Å; E741-R743 IonicContact OE1-CZ 2.89Å; E741-R743 IonicContact OE1-NE 3.55Å; E741-R743 PolarHBondContact OE1-NE 3.41Å; E741-R743 IonicContact OE1-NH2 3.92Å; E741-R743 PolarHBondContact OE1-NH2 2.82Å; E741-R743 IonicContact OE2-CZ 3.67Å; E741-R743 IonicContact OE2-NE 2.84Å; E741-R743 IonicContact OE2-NH2 3.61Å; E741-R743 PolarHBondContact OE2-NH2 2.87Å
744	E	96.5	Very high	93.2	Very high	97 Å²	97	49.8 Å²	49.8	45%	0.453	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	135.5	170.3	-173.1	176.8	127.8	0	0	109.4	T731 F732 R746	T731-E744 HydrophobicContact CG2-CG 3.73Å; F732-E744 CarbonylContact O-C 3.48Å; F732-E744 WeakPolarHBondContact O-CA 2.97Å; E744-R746 IonicContact OE1-CZ 3.8Å; E744-R746 IonicContact OE1-NE 3.13Å; E744-R746 PolarHBondContact OE1-NE 2.73Å; E744-R746 IonicContact OE1-NH2 3.56Å; E744-R746 PolarHBondContact OE1-NH2 3.32Å
745	V	98.2	Very high	91.7	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.018	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	135.2	173.3	175.5	0	0	0	0	108.8	I677 S682 A683 V685 F732 L734	I677-V745 HydrophobicContact CG2-CG1 4.31Å; I677-V745 HydrophobicContact CG2-CG2 3.95Å; S682-V745 WeakPolarHBondContact O-CG2 3.41Å; A683-V745 CarbonylContact O-C 3.58Å; A683-V745 WeakPolarHBondContact O-CA 3.44Å; V685-V745 HydrophobicContact CG2-CG1 3.88Å; F732-V745 PolarHBondContact N-O 3.43Å; F732-V745 PolarHBondContact O-N 3.08Å; L734-V745 HydrophobicContact CD1-CB 3.84Å; L734-V745 HydrophobicContact CD1-CG2 3.71Å; L734-V745 HydrophobicContact CD2-CG2 3.66Å; L734-V745 HydrophobicContact CG-CG2 4.25Å
746	R	98.3	Very high	90.4	Very high	84 Å²	84	55 Å²	55	32%	0.317	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129.2	173.9	-62.4	179.1	-170.7	-179.4	1.2	110.6	A683 I684 V685 R730 T731 E744 F748	A683-R746 PolarHBondContact O-N 3.37Å; I684-R746 WeakPolarHBondContact CA-O 3.4Å; I684-R746 HydrophobicContact CD1-CB 4.04Å; V685-R746 PolarHBondContact N-O 3.17Å; R730-R746 CarbonylContact O-C 3.54Å; R730-R746 VanDerWaalsContact O-CA 3.29Å; R730-R746 WeakPolarHBondContact O-CA 3.33Å; T731-R746 HydrophobicContact CG2-CG 4.18Å; E744-R746 IonicContact OE1-CZ 3.8Å; E744-R746 IonicContact OE1-NE 3.13Å; E744-R746 PolarHBondContact OE1-NE 2.73Å; E744-R746 IonicContact OE1-NH2 3.56Å; E744-R746 PolarHBondContact OE1-NH2 3.32Å; R746-F748 HydrophobicContact CB-CD2 4.37Å; R746-F748 HydrophobicContact CB-CE2 3.76Å
747	Q	98.6	Very high	90.1	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	130.2	170.4	-178.1	-153.4	53.2	0	0	109.4	V685 Y702 V729 R730 F732	V685-Q747 HydrophobicContact CB-CB 4.32Å; V685-Q747 HydrophobicContact CB-CG 4.34Å; V685-Q747 HydrophobicContact CG1-CG 4.34Å; V685-Q747 CarbonylContact O-C 3.53Å; V685-Q747 VanDerWaalsContact O-CA 3.25Å; V685-Q747 WeakPolarHBondContact O-CA 3.47Å; Y702-Q747 VanDerWaalsContact CZ-NE2 3.33Å; Y702-Q747 PolarHBondContact OH-NE2 2.86Å; V729-Q747 CarbonylContact C-O 3.56Å; V729-Q747 VanDerWaalsContact CA-O 3.32Å; V729-Q747 WeakPolarHBondContact CA-O 3.43Å; R730-Q747 HydrophobicContact CB-CB 4.41Å; R730-Q747 PolarHBondContact N-O 3.32Å; R730-Q747 PolarHBondContact O-N 2.77Å; F732-Q747 HydrophobicContact CD2-CB 4.4Å; F732-Q747 HydrophobicContact CE2-CB 3.65Å
748	F	98.4	Very high	90.5	Very high	1 Å²	1	51.7 Å²	51.7	0%	0.004	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	107.6	173.3	-74	-93.7	0	0	0	108.6	I684 V685 V686 M687 Y727 V729 R746 F768 R771 V772 C775	I684-F748 HydrophobicContact CD1-CD2 4.45Å; I684-F748 HydrophobicContact CD1-CE2 3.88Å; I684-F748 HydrophobicContact CG2-CD2 4.15Å; V685-F748 PolarHBondContact O-N 3.27Å; V686-F748 CarbonylContact C-O 3.36Å; V686-F748 WeakPolarHBondContact CA-O 3.35Å; M687-F748 PolarHBondContact N-O 3.07Å; Y727-F748 HydrophobicContact CE2-CD1 4.49Å; V729-F748 HydrophobicContact CB-CE1 4.34Å; V729-F748 HydrophobicContact CG1-CD1 4.25Å; V729-F748 HydrophobicContact CG1-CE1 3.82Å; V729-F748 HydrophobicContact CG1-CE2 4.3Å; V729-F748 HydrophobicContact CG1-CZ 3.85Å; V729-F748 HydrophobicContact CG2-CD1 3.66Å; V729-F748 HydrophobicContact CG2-CE1 3.54Å; V729-F748 HydrophobicContact CG2-CZ 4.4Å; R746-F748 HydrophobicContact CB-CD2 4.37Å; R746-F748 HydrophobicContact CB-CE2 3.76Å; F748-F768 HydrophobicContact CB-CE2 3.67Å; F748-F768 HydrophobicContact CB-CZ 3.8Å; F748-F768 HydrophobicContact CD1-CE2 4.44Å; F748-R771 HydrophobicContact CE1-CG 3.87Å; F748-V772 HydrophobicContact CB-CG2 3.71Å; F748-V772 HydrophobicContact CD1-CG2 3.8Å; F748-V772 HydrophobicContact CD2-CG2 4.22Å; F748-V772 HydrophobicContact CG-CG2 3.64Å; F748-C775 HydrophobicContact CE2-CB 4Å; F748-C775 HydrophobicContact CZ-CB 3.59Å
749	Q	98.3	Very high	90.7	Very high	12 Å²	12	48 Å²	48	6%	0.056	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	110.1	179.3	-179.2	179.4	18.5	0	0	110.7	M687 T689 Y727 C728 T751	M687-Q749 HydrophobicContact CB-CB 4.12Å; M687-Q749 HydrophobicContact CB-CG 4.18Å; M687-Q749 HydrophobicContact CG-CB 4.37Å; M687-Q749 HydrophobicContact CG-CG 3.9Å; M687-Q749 CarbonylContact O-C 3.54Å; M687-Q749 VanDerWaalsContact O-CA 3.3Å; M687-Q749 WeakPolarHBondContact O-CA 3.49Å; M687-Q749 HydrophobicContact SD-CB 4.32Å; M687-Q749 HydrophobicContact SD-CG 3.81Å; T689-Q749 PolarHBondContact O-NE2 2.67Å; T689-Q749 VanDerWaalsContact O-NE2 3.07Å; Y727-Q749 CarbonylContact C-O 3.58Å; Y727-Q749 WeakPolarHBondContact CA-O 3.39Å; Y727-Q749 WeakPolarHBondContact CB-O 3.31Å; C728-Q749 HydrophobicContact CB-CB 4.38Å; C728-Q749 PolarHBondContact N-O 3.08Å; C728-Q749 PolarHBondContact O-N 3.34Å; Q749-T751 HydrophobicContact CG-CG2 4.12Å
750	F	97	Very high	90.3	Very high	1 Å²	1	51.2 Å²	51.2	0%	0.004	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	120.3	173.7	-170.6	-109.6	0	0	0	110.7	M687 M688 T726 A752 W753 P759 P764 F765 F768	M687-F750 PolarHBondContact O-N 2.82Å; M688-F750 HydrophobicContact CE-CB 3.89Å; M688-F750 HydrophobicContact CE-CD1 3.78Å; M688-F750 HydrophobicContact CE-CG 4.04Å; M688-F750 HydrophobicContact SD-CB 4.05Å; T726-F750 WeakPolarHBondContact O-CD2 3.36Å; F750-A752 HydrophobicContact CE1-CB 4.2Å; F750-A752 HydrophobicContact CE2-CB 4.18Å; F750-A752 HydrophobicContact CZ-CB 3.79Å; F750-W753 HydrophobicContact CD1-CB 3.94Å; F750-W753 HydrophobicContact CD1-CE3 4.27Å; F750-W753 HydrophobicContact CE1-CB 3.91Å; F750-W753 HydrophobicContact CE1-CE3 4.13Å; F750-P759 HydrophobicContact CE1-CG 4.49Å; F750-P764 HydrophobicContact CE2-CB 4.36Å; F750-P764 HydrophobicContact CZ-CB 4.36Å; F750-F765 HydrophobicContact CE1-CD2 4.29Å; F750-F765 HydrophobicContact CZ-CB 4.15Å; F750-F765 HydrophobicContact CZ-CD2 4.4Å; F750-F768 HydrophobicContact CB-CD1 4.25Å; F750-F768 HydrophobicContact CB-CD2 4.29Å; F750-F768 HydrophobicContact CB-CE1 3.98Å; F750-F768 HydrophobicContact CB-CE2 3.97Å; F750-F768 HydrophobicContact CB-CG 4.39Å; F750-F768 HydrophobicContact CB-CZ 3.82Å; F750-F768 HydrophobicContact CD2-CB 3.82Å; F750-F768 HydrophobicContact CD2-CD1 4.03Å; F750-F768 AromaticContact CD2-CD2 3.94Å; F750-F768 HydrophobicContact CD2-CD2 3.94Å; F750-F768 HydrophobicContact CD2-CE2 4.48Å; F750-F768 AromaticContact CD2-CG 3.66Å; F750-F768 HydrophobicContact CD2-CG 3.66Å; F750-F768 HydrophobicContact CE2-CB 4.07Å; F750-F768 HydrophobicContact CE2-CG 4.39Å; F750-F768 HydrophobicContact CG-CD1 4.37Å; F750-F768 HydrophobicContact CG-CG 4.38Å
751	T	93.7	Very high	90.1	Very high	31 Å²	31	47.3 Å²	47.3	19%	0.19	24%	0.24	C	C	.	.			trans	-109.5	-7	-172.9	56.2	0	0	0	0	113.4	K690 T726 Y727 Q749	K690-T751 WeakPolarHBondContact CE-O 3.34Å; T726-T751 PolarHBondContact O-N 2.78Å; T726-T751 PolarHBondContact O-OG1 2.8Å; T726-T751 VanDerWaalsContact O-OG1 3.1Å; Y727-T751 PolarHBondContact N-OG1 2.79Å; Q749-T751 HydrophobicContact CG-CG2 4.12Å
752	A	91.1	Very high	90	Very high	25 Å²	25	44.2 Å²	44.2	21%	0.207	23%	0.226	C	C	.	.			trans	-94.2	8.5	-178.3	0	0	0	0	0	114.8	T726 F750	T726-A752 HydrophobicContact CG2-CB 3.84Å; T726-A752 PolarHBondContact O-N 3.32Å; F750-A752 HydrophobicContact CE1-CB 4.2Å; F750-A752 HydrophobicContact CE2-CB 4.18Å; F750-A752 HydrophobicContact CZ-CB 3.79Å
753	W	92.1	Very high	89.6	Confident	5 Å²	5	37.4 Å²	37.4	2%	0.019	20%	0.197	C	C	.	.	S	Bend	trans	-77	126.6	171.5	-157.7	-63.1	0	0	0	110	M688 F750 G757 V758 P759 F765 R793 C796 Q835 F838	M688-W753 HydrophobicContact CE-CE3 3.89Å; M688-W753 HydrophobicContact CE-CZ3 4.12Å; F750-W753 HydrophobicContact CD1-CB 3.94Å; F750-W753 HydrophobicContact CD1-CE3 4.27Å; F750-W753 HydrophobicContact CE1-CB 3.91Å; F750-W753 HydrophobicContact CE1-CE3 4.13Å; W753-G757 PolarHBondContact NE1-O 2.9Å; W753-V758 HydrophobicContact CZ2-CB 4.39Å; W753-V758 HydrophobicContact CZ2-CG1 4.01Å; W753-P759 HydrophobicContact CD2-CG 4Å; W753-P759 HydrophobicContact CE3-CG 4.06Å; W753-P759 HydrophobicContact CG-CG 4.31Å; W753-P759 HydrophobicContact CZ3-CG 4.5Å; W753-F765 HydrophobicContact CE3-CD2 4.23Å; W753-F765 HydrophobicContact CE3-CE2 4.28Å; W753-F765 AromaticContact CZ3-CD2 3.88Å; W753-F765 HydrophobicContact CZ3-CD2 3.88Å; W753-F765 AromaticContact CZ3-CE2 3.65Å; W753-F765 HydrophobicContact CZ3-CE2 3.65Å; W753-R793 VanDerWaalsContact CD1-CZ 3.46Å; W753-R793 HydrophobicContact CD2-CB 4.43Å; W753-R793 HydrophobicContact CD2-CG 3.85Å; W753-R793 HydrophobicContact CE3-CB 4.37Å; W753-R793 HydrophobicContact CE3-CG 4.28Å; W753-R793 HydrophobicContact CG-CG 4.33Å; W753-R793 HydrophobicContact CH2-CB 4.32Å; W753-R793 HydrophobicContact CH2-CG 4.25Å; W753-R793 HydrophobicContact CZ2-CB 4.36Å; W753-R793 HydrophobicContact CZ2-CG 3.8Å; W753-R793 HydrophobicContact CZ3-CB 4.32Å; W753-R793 HydrophobicContact CZ3-CG 4.47Å; W753-C796 HydrophobicContact CH2-CB 3.87Å; W753-C796 HydrophobicContact CZ3-CB 4.41Å; W753-Q835 HydrophobicContact CZ2-CG 4.34Å; W753-F838 HydrophobicContact CH2-CD1 4.05Å; W753-F838 HydrophobicContact CH2-CE1 4.07Å; W753-F838 HydrophobicContact CZ3-CE1 4.13Å
754	P	83.7	Confident	89.2	Confident	46 Å²	46	36.6 Å²	36.6	30%	0.299	20%	0.197	S	C	.	.			trans	-71.4	156.5	-177.4	28.2	-34.7	0	0	0	113.4	H756 V758 R793	P754-H756 WeakPolarHBondContact CG-O 3.47Å; P754-H756 PolarHBondContact O-N 2.86Å; P754-V758 VanDerWaalsContact CG-C 3.48Å; P754-V758 VanDerWaalsContact CG-O 3.3Å; P754-V758 WeakPolarHBondContact CG-O 3.27Å; P754-R793 PolarHBondContact O-NH2 3.16Å
755	D	65.7	Low	89	Confident	60 Å²	60	32 Å²	32	32%	0.321	18%	0.175	S	C	.	.	S	Bend	trans	-63	-30.1	-179.5	-59.6	-21.8	0	0	0	112.9	E693 R694	E693-D755 WeakPolarHBondContact CB-OD1 3.48Å; E693-D755 WeakPolarHBondContact CG-OD1 3.32Å; R694-D755 HydrophobicContact CG-CB 4.11Å; R694-D755 WeakPolarHBondContact CG-OD2 3.4Å; R694-D755 IonicContact NE-OD2 2.76Å
756	H	69	Low	88.7	Confident	125 Å²	125	31.9 Å²	31.9	58%	0.579	18%	0.175	S	C	*	.	S	Bend	trans	-124.2	140.5	175	-69.7	-93.2	0	0	0	110.2	R694 P754	R694-H756 PolarHBondContact NH1-CD2 2.82Å; R694-H756 PolarHBondContact NH1-NE2 3.38Å; R694-H756 PolarHBondContact NH2-CD2 2.84Å; P754-H756 WeakPolarHBondContact CG-O 3.47Å; P754-H756 PolarHBondContact O-N 2.86Å
757	G	85.3	Confident	88.2	Confident	40 Å²	40	29.8 Å²	29.8	41%	0.412	18%	0.175	S	C	.	.	S	Bend	trans	70.3	-143	179	0	0	0	0	0	113.6	W753	W753-G757 PolarHBondContact NE1-O 2.9Å
758	V	91.3	Very high	87.9	Confident	37 Å²	37	29.7 Å²	29.7	22%	0.224	18%	0.175	C	C	.	.			trans	-124.9	160.2	-175.3	-63.4	0	0	0	0	110.2	W753 P754 E760 D834 Q835 F838	W753-V758 HydrophobicContact CZ2-CB 4.39Å; W753-V758 HydrophobicContact CZ2-CG1 4.01Å; P754-V758 VanDerWaalsContact CG-C 3.48Å; P754-V758 VanDerWaalsContact CG-O 3.3Å; P754-V758 WeakPolarHBondContact CG-O 3.27Å; V758-E760 PolarHBondContact O-N 2.76Å; V758-D834 HydrophobicContact CG1-CB 3.95Å; V758-D834 WeakPolarHBondContact CG1-O 3.32Å; V758-D834 HydrophobicContact CG2-CB 4.44Å; V758-Q835 HydrophobicContact CG1-CG 4.02Å; V758-F838 HydrophobicContact CB-CB 3.95Å; V758-F838 HydrophobicContact CB-CD2 4Å; V758-F838 HydrophobicContact CB-CG 4.03Å; V758-F838 HydrophobicContact CG1-CB 3.92Å; V758-F838 HydrophobicContact CG1-CG 4.36Å; V758-F838 HydrophobicContact CG2-CB 4.06Å; V758-F838 HydrophobicContact CG2-CD2 4.15Å; V758-F838 HydrophobicContact CG2-CG 4.4Å
759	P	88.8	Confident	87.7	Confident	13 Å²	13	29.9 Å²	29.9	8%	0.084	18%	0.176	C	C	.	.			trans	-53	134	172.3	-23.5	33.3	0	0	0	110.8	F750 W753 H761 F838	F750-P759 HydrophobicContact CE1-CG 4.49Å; W753-P759 HydrophobicContact CD2-CG 4Å; W753-P759 HydrophobicContact CE3-CG 4.06Å; W753-P759 HydrophobicContact CG-CG 4.31Å; W753-P759 HydrophobicContact CZ3-CG 4.5Å; P759-H761 PolarHBondContact O-N 2.98Å; P759-H761 VanDerWaalsContact O-N 3.15Å; P759-F838 HydrophobicContact CB-CE2 3.86Å; P759-F838 HydrophobicContact CB-CZ 4.18Å; P759-F838 HydrophobicContact CG-CE2 4Å; P759-F838 HydrophobicContact CG-CZ 3.92Å
760	E	80.5	Confident	87.3	Confident	108 Å²	108	31.7 Å²	31.7	51%	0.505	18%	0.182	S	C	.	.	S	Bend	trans	-59.9	-28.2	-179	-167.2	-175.7	177.2	0	0	111.8	V758 R894 S917	V758-E760 PolarHBondContact O-N 2.76Å; E760-R894 VanDerWaalsContact CD-NH2 3.29Å; E760-R894 IonicContact OE1-CZ 2.76Å; E760-R894 IonicContact OE1-NE 3.37Å; E760-R894 PolarHBondContact OE1-NE 3.39Å; E760-R894 IonicContact OE1-NH2 3.66Å; E760-R894 PolarHBondContact OE1-NH2 3.08Å; E760-R894 IonicContact OE2-NH2 2.88Å; E760-S917 PolarHBondContact OE2-OG 3.2Å
761	H	83.5	Confident	86.9	Confident	39 Å²	39	35.8 Å²	35.8	18%	0.181	20%	0.198	C	C	.	.			trans	-133.4	138	178.2	-59.6	-84.2	0	0	0	110.7	P759 T763 P764 R894 T1115	P759-H761 PolarHBondContact O-N 2.98Å; P759-H761 VanDerWaalsContact O-N 3.15Å; H761-T763 VanDerWaalsContact C-N 3.29Å; H761-T763 PolarHBondContact O-N 2.81Å; H761-P764 WeakPolarHBondContact O-CD 3.37Å; H761-R894 PolarHBondContact NE2-NH2 3.05Å; H761-R894 VanDerWaalsContact NE2-NH2 3.12Å; H761-T1115 HydrophobicContact CB-CG2 3.72Å; H761-T1115 VanDerWaalsContact CD2-CB 3.48Å; H761-T1115 WeakPolarHBondContact CD2-CB 3.38Å; H761-T1115 VanDerWaalsContact CG-CG2 3.41Å
762	P	90.4	Very high	87	Confident	10 Å²	10	34.3 Å²	34.3	7%	0.065	19%	0.189	C	C	.	.	S	Bend	trans	-71.5	-17.6	179.1	-19.6	32.3	0	0	0	115.3	F765 L766 F838 D841 A842	P762-F765 WeakPolarHBondContact O-CA 3.31Å; P762-F765 WeakPolarHBondContact O-CB 3.42Å; P762-F765 PolarHBondContact O-N 2.71Å; P762-L766 HydrophobicContact CB-CD1 4.23Å; P762-L766 HydrophobicContact CB-CG 4.41Å; P762-L766 PolarHBondContact O-N 2.82Å; P762-F838 HydrophobicContact CB-CE2 4.17Å; P762-F838 HydrophobicContact CB-CZ 4.29Å; P762-F838 HydrophobicContact CG-CE2 4.16Å; P762-D841 HydrophobicContact CG-CB 4.04Å; P762-A842 HydrophobicContact CB-CB 3.77Å; P762-A842 HydrophobicContact CG-CB 4.29Å
763	T	85.8	Confident	87	Confident	4 Å²	4	36.7 Å²	36.7	3%	0.025	19%	0.194	C	C	.	.	H	α-helix	trans	-52	-49.3	-169.8	-43.6	0	0	0	0	114.2	H761 F765 L766 A767 E845 Q1108 K1111	H761-T763 VanDerWaalsContact C-N 3.29Å; H761-T763 PolarHBondContact O-N 2.81Å; T763-F765 VanDerWaalsContact C-N 3.26Å; T763-F765 PolarHBondContact O-N 2.8Å; T763-L766 PolarHBondContact O-N 2.91Å; T763-A767 PolarHBondContact O-N 2.84Å; T763-A767 VanDerWaalsContact O-N 3.08Å; T763-E845 WeakPolarHBondContact CA-OE1 3.3Å; T763-E845 VanDerWaalsContact CB-OE1 3.3Å; T763-E845 WeakPolarHBondContact CB-OE1 3.37Å; T763-E845 PolarHBondContact N-OE1 3.23Å; T763-E845 VanDerWaalsContact N-OE1 3.1Å; T763-E845 PolarHBondContact OG1-OE1 2.71Å; T763-Q1108 VanDerWaalsContact CG2-OE1 3.29Å; T763-K1111 HydrophobicContact CG2-CD 4.45Å; T763-K1111 WeakPolarHBondContact OG1-CE 3.37Å
764	P	86.8	Confident	86.9	Confident	26 Å²	26	40.1 Å²	40.1	17%	0.169	22%	0.224	C	C	.	.	H	α-helix	trans	-63.1	-34.9	179.3	-22.4	35.9	0	0	0	112.8	T726 F750 H761 F768	T726-P764 HydrophobicContact CG2-CB 4.07Å; F750-P764 HydrophobicContact CE2-CB 4.36Å; F750-P764 HydrophobicContact CZ-CB 4.36Å; H761-P764 WeakPolarHBondContact O-CD 3.37Å; P764-F768 WeakPolarHBondContact O-CB 3.26Å; P764-F768 PolarHBondContact O-N 2.87Å
765	F	93.4	Very high	87.3	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-71.2	-42.3	179.6	-179.6	-84.7	0	0	0	111.7	M688 F750 W753 P762 T763 F768 L769 F797 I800 F838	M688-F765 HydrophobicContact CE-CD2 3.94Å; M688-F765 HydrophobicContact CE-CE2 3.43Å; M688-F765 VanDerWaalsContact CE-CE2 3.43Å; F750-F765 HydrophobicContact CE1-CD2 4.29Å; F750-F765 HydrophobicContact CZ-CB 4.15Å; F750-F765 HydrophobicContact CZ-CD2 4.4Å; W753-F765 HydrophobicContact CE3-CD2 4.23Å; W753-F765 HydrophobicContact CE3-CE2 4.28Å; W753-F765 AromaticContact CZ3-CD2 3.88Å; W753-F765 HydrophobicContact CZ3-CD2 3.88Å; W753-F765 AromaticContact CZ3-CE2 3.65Å; W753-F765 HydrophobicContact CZ3-CE2 3.65Å; P762-F765 WeakPolarHBondContact O-CA 3.31Å; P762-F765 WeakPolarHBondContact O-CB 3.42Å; P762-F765 PolarHBondContact O-N 2.71Å; T763-F765 VanDerWaalsContact C-N 3.26Å; T763-F765 PolarHBondContact O-N 2.8Å; F765-F768 WeakPolarHBondContact O-CB 3.49Å; F765-F768 PolarHBondContact O-N 2.87Å; F765-L769 HydrophobicContact CE1-CD1 4.03Å; F765-L769 WeakPolarHBondContact O-CB 3.14Å; F765-L769 PolarHBondContact O-N 2.77Å; F765-F797 HydrophobicContact CZ-CB 4.14Å; F765-F797 HydrophobicContact CZ-CD2 4.15Å; F765-I800 HydrophobicContact CD1-CD1 3.99Å; F765-I800 HydrophobicContact CE1-CB 4.12Å; F765-I800 HydrophobicContact CE1-CD1 3.3Å; F765-I800 HydrophobicContact CE1-CG1 4.29Å; F765-I800 HydrophobicContact CE1-CG2 4.12Å; F765-I800 HydrophobicContact CZ-CD1 3.81Å; F765-F838 HydrophobicContact CB-CE1 4.49Å; F765-F838 HydrophobicContact CB-CZ 4.02Å; F765-F838 HydrophobicContact CD1-CE1 4.24Å; F765-F838 HydrophobicContact CD1-CZ 4.5Å; F765-F838 HydrophobicContact CD2-CE1 4.3Å; F765-F838 HydrophobicContact CG-CE1 4.1Å; F765-F838 HydrophobicContact CG-CZ 4.12Å
766	L	91.9	Very high	88.7	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-63.5	-41.3	176.1	-69.2	173.4	0	0	0	111.6	P762 T763 L769 R770 I800 L804 A842 E845 A846	P762-L766 HydrophobicContact CB-CD1 4.23Å; P762-L766 HydrophobicContact CB-CG 4.41Å; P762-L766 PolarHBondContact O-N 2.82Å; T763-L766 PolarHBondContact O-N 2.91Å; L766-L769 PolarHBondContact O-N 2.9Å; L766-R770 VanDerWaalsContact O-CG 3.28Å; L766-R770 WeakPolarHBondContact O-CG 3.24Å; L766-R770 PolarHBondContact O-N 2.86Å; L766-I800 HydrophobicContact CD2-CG2 4.09Å; L766-L804 HydrophobicContact CD2-CD1 4.16Å; L766-A842 HydrophobicContact CD2-CB 4.28Å; L766-E845 HydrophobicContact CD1-CB 4.14Å; L766-E845 HydrophobicContact CD1-CG 3.86Å; L766-A846 HydrophobicContact CD1-CB 4.11Å; L766-A846 HydrophobicContact CD2-CB 4.16Å
767	A	86.3	Confident	89.8	Confident	39 Å²	39	33.7 Å²	33.7	32%	0.322	20%	0.195	S	C	.	.	H	α-helix	trans	-61.5	-45.6	174.6	0	0	0	0	0	111.6	T763 R770 R771	T763-A767 PolarHBondContact O-N 2.84Å; T763-A767 VanDerWaalsContact O-N 3.08Å; A767-R770 PolarHBondContact O-N 2.93Å; A767-R771 PolarHBondContact O-N 2.79Å; A767-R771 VanDerWaalsContact O-N 3.09Å
768	F	93.1	Very high	90	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-56.9	-49.9	174.1	170.6	-102	0	0	0	112.2	V686 M688 Y727 F748 F750 P764 F765 R770 R771 V772 F797	V686-F768 HydrophobicContact CG1-CE1 3.79Å; V686-F768 HydrophobicContact CG1-CZ 3.82Å; M688-F768 HydrophobicContact SD-CE1 3.66Å; M688-F768 HydrophobicContact SD-CZ 4.25Å; Y727-F768 HydrophobicContact CD1-CB 4.39Å; Y727-F768 HydrophobicContact CD1-CD2 4.01Å; Y727-F768 AromaticContact CD2-CD2 3.93Å; Y727-F768 HydrophobicContact CD2-CD2 3.93Å; Y727-F768 HydrophobicContact CD2-CE2 4.29Å; Y727-F768 AromaticContact CG-CD2 3.59Å; Y727-F768 HydrophobicContact CG-CD2 3.59Å; Y727-F768 HydrophobicContact CG-CE2 4.17Å; F748-F768 HydrophobicContact CB-CE2 3.67Å; F748-F768 HydrophobicContact CB-CZ 3.8Å; F748-F768 HydrophobicContact CD1-CE2 4.44Å; F750-F768 HydrophobicContact CB-CD1 4.25Å; F750-F768 HydrophobicContact CB-CD2 4.29Å; F750-F768 HydrophobicContact CB-CE1 3.98Å; F750-F768 HydrophobicContact CB-CE2 3.97Å; F750-F768 HydrophobicContact CB-CG 4.39Å; F750-F768 HydrophobicContact CB-CZ 3.82Å; F750-F768 HydrophobicContact CD2-CB 3.82Å; F750-F768 HydrophobicContact CD2-CD1 4.03Å; F750-F768 AromaticContact CD2-CD2 3.94Å; F750-F768 HydrophobicContact CD2-CD2 3.94Å; F750-F768 HydrophobicContact CD2-CE2 4.48Å; F750-F768 AromaticContact CD2-CG 3.66Å; F750-F768 HydrophobicContact CD2-CG 3.66Å; F750-F768 HydrophobicContact CE2-CB 4.07Å; F750-F768 HydrophobicContact CE2-CG 4.39Å; F750-F768 HydrophobicContact CG-CD1 4.37Å; F750-F768 HydrophobicContact CG-CG 4.38Å; P764-F768 WeakPolarHBondContact O-CB 3.26Å; P764-F768 PolarHBondContact O-N 2.87Å; F765-F768 WeakPolarHBondContact O-CB 3.49Å; F765-F768 PolarHBondContact O-N 2.87Å; F768-R770 PolarHBondContact O-N 2.95Å; F768-R771 WeakPolarHBondContact O-CB 3.37Å; F768-R771 PolarHBondContact O-N 2.88Å; F768-R771 VanDerWaalsContact O-N 3.17Å; F768-V772 HydrophobicContact CD1-CG2 4.34Å; F768-V772 HydrophobicContact CD2-CG2 4.39Å; F768-V772 HydrophobicContact CE1-CG2 3.96Å; F768-V772 HydrophobicContact CE2-CG2 4.07Å; F768-V772 HydrophobicContact CZ-CG2 3.83Å; F768-V772 WeakPolarHBondContact O-CG2 3.49Å; F768-V772 PolarHBondContact O-N 3.28Å; F768-F797 HydrophobicContact CD1-CD2 4.49Å; F768-F797 HydrophobicContact CD1-CE2 4.21Å; F768-F797 HydrophobicContact CE1-CD2 4.08Å; F768-F797 AromaticContact CE1-CE2 3.82Å; F768-F797 HydrophobicContact CE1-CE2 3.82Å
769	L	94.8	Very high	90	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-61.1	-45.4	-179.3	-176.1	161.3	0	0	0	111.9	F765 L766 R771 V772 K773 F797 I800 D801 L804	F765-L769 HydrophobicContact CE1-CD1 4.03Å; F765-L769 WeakPolarHBondContact O-CB 3.14Å; F765-L769 PolarHBondContact O-N 2.77Å; L766-L769 PolarHBondContact O-N 2.9Å; L769-R771 VanDerWaalsContact C-N 3.27Å; L769-R771 PolarHBondContact O-N 3.3Å; L769-V772 PolarHBondContact O-N 3.12Å; L769-K773 HydrophobicContact CD2-CG 4.28Å; L769-K773 PolarHBondContact O-N 3.35Å; L769-F797 HydrophobicContact CB-CE2 4.26Å; L769-F797 HydrophobicContact CD1-CE2 4.49Å; L769-F797 HydrophobicContact CG-CE2 4.14Å; L769-F797 HydrophobicContact CG-CZ 4.48Å; L769-I800 HydrophobicContact CD1-CB 4.16Å; L769-I800 HydrophobicContact CD1-CG2 3.74Å; L769-D801 HydrophobicContact CD1-CB 3.94Å; L769-D801 WeakPolarHBondContact CD2-OD1 2.94Å; L769-D801 HydrophobicContact CG-CB 4.4Å; L769-L804 HydrophobicContact CD1-CD1 4.13Å; L769-L804 HydrophobicContact CD2-CD1 3.78Å
770	R	89.2	Confident	90.2	Very high	51 Å²	51	43 Å²	43	19%	0.192	24%	0.243	C	C	.	.	H	α-helix	trans	-57.2	-42.6	175.6	-72.2	171.5	-172.3	177	-1.1	111.3	L766 A767 F768 K773 A774 G850	L766-R770 VanDerWaalsContact O-CG 3.28Å; L766-R770 WeakPolarHBondContact O-CG 3.24Å; L766-R770 PolarHBondContact O-N 2.86Å; A767-R770 PolarHBondContact O-N 2.93Å; F768-R770 PolarHBondContact O-N 2.95Å; R770-K773 PolarHBondContact O-N 2.79Å; R770-A774 WeakPolarHBondContact O-CB 3.48Å; R770-A774 PolarHBondContact O-N 3.47Å; R770-G850 PolarHBondContact NH2-O 3.23Å
771	R	88.8	Confident	91	Very high	87 Å²	87	38.7 Å²	38.7	33%	0.328	23%	0.227	S	C	.	.	H	α-helix	trans	-65.6	-44.3	178	-176.7	61.7	177.6	163	-0.9	112.3	Y727 F748 A767 F768 L769 K773 A774 C775	Y727-R771 HydrophobicContact CE2-CG 4.26Å; F748-R771 HydrophobicContact CE1-CG 3.87Å; A767-R771 PolarHBondContact O-N 2.79Å; A767-R771 VanDerWaalsContact O-N 3.09Å; F768-R771 WeakPolarHBondContact O-CB 3.37Å; F768-R771 PolarHBondContact O-N 2.88Å; F768-R771 VanDerWaalsContact O-N 3.17Å; L769-R771 VanDerWaalsContact C-N 3.27Å; L769-R771 PolarHBondContact O-N 3.3Å; R771-K773 VanDerWaalsContact C-N 3.32Å; R771-K773 PolarHBondContact O-N 3.19Å; R771-A774 PolarHBondContact O-N 3.4Å; R771-C775 VanDerWaalsContact CZ-SG 3.58Å; R771-C775 PolarHBondContact O-N 3.17Å; R771-C775 VanDerWaalsContact O-N 3.12Å; R771-C775 PolarHBondContact O-SG 2.77Å
772	V	95.2	Very high	91.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-56.7	-48.8	175.2	172.9	0	0	0	0	110.1	I684 V686 F748 F768 L769 A774 C775 N776 M783 F797	I684-V772 HydrophobicContact CG2-CG1 3.88Å; V686-V772 HydrophobicContact CG2-CG1 3.7Å; V686-V772 HydrophobicContact CG2-CG2 4.42Å; F748-V772 HydrophobicContact CB-CG2 3.71Å; F748-V772 HydrophobicContact CD1-CG2 3.8Å; F748-V772 HydrophobicContact CD2-CG2 4.22Å; F748-V772 HydrophobicContact CG-CG2 3.64Å; F768-V772 HydrophobicContact CD1-CG2 4.34Å; F768-V772 HydrophobicContact CD2-CG2 4.39Å; F768-V772 HydrophobicContact CE1-CG2 3.96Å; F768-V772 HydrophobicContact CE2-CG2 4.07Å; F768-V772 HydrophobicContact CZ-CG2 3.83Å; F768-V772 WeakPolarHBondContact O-CG2 3.49Å; F768-V772 PolarHBondContact O-N 3.28Å; L769-V772 PolarHBondContact O-N 3.12Å; V772-A774 PolarHBondContact O-N 3.08Å; V772-C775 PolarHBondContact O-N 3.22Å; V772-N776 PolarHBondContact O-N 3.49Å; V772-N776 VanDerWaalsContact O-N 3.08Å; V772-M783 HydrophobicContact CG1-SD 4.22Å; V772-F797 HydrophobicContact CB-CZ 4.33Å; V772-F797 HydrophobicContact CG1-CZ 3.91Å; V772-F797 HydrophobicContact CG2-CE2 4.49Å
773	K	92.4	Very high	92.1	Very high	74 Å²	74	37.4 Å²	37.4	32%	0.322	22%	0.222	S	C	.	.	H	α-helix	trans	-61.3	-44.5	178.4	-84.8	-68.3	-175	-170.5	0	113.6	L769 R770 R771 C775 N776 D801	L769-K773 HydrophobicContact CD2-CG 4.28Å; L769-K773 PolarHBondContact O-N 3.35Å; R770-K773 PolarHBondContact O-N 2.79Å; R771-K773 VanDerWaalsContact C-N 3.32Å; R771-K773 PolarHBondContact O-N 3.19Å; K773-C775 PolarHBondContact O-N 2.71Å; K773-N776 PolarHBondContact O-N 2.9Å; K773-D801 WeakPolarHBondContact CE-OD1 2.93Å; K773-D801 WeakPolarHBondContact CE-OD2 3.28Å; K773-D801 IonicContact NZ-OD1 2.83Å; K773-D801 IonicContact NZ-OD2 2.93Å; K773-D801 PolarHBondContact NZ-OD2 2.95Å
774	A	89.9	Confident	92.7	Very high	78 Å²	78	37.2 Å²	37.2	65%	0.645	22%	0.221	S	C	*	.	H	α-helix	trans	-63.3	-26.4	178.5	0	0	0	0	0	112.8	R770 R771 V772	R770-A774 WeakPolarHBondContact O-CB 3.48Å; R770-A774 PolarHBondContact O-N 3.47Å; R771-A774 PolarHBondContact O-N 3.4Å; V772-A774 PolarHBondContact O-N 3.08Å
775	C	91.6	Very high	93.3	Very high	17 Å²	17	36 Å²	36	12%	0.115	21%	0.213	C	C	.	.	H	α-helix	trans	-93.5	-11	179.2	-63.9	0	0	0	0	114.1	I684 F748 R771 V772 K773 P777	I684-C775 HydrophobicContact CD1-CB 4.41Å; F748-C775 HydrophobicContact CE2-CB 4Å; F748-C775 HydrophobicContact CZ-CB 3.59Å; R771-C775 VanDerWaalsContact CZ-SG 3.58Å; R771-C775 PolarHBondContact O-N 3.17Å; R771-C775 VanDerWaalsContact O-N 3.12Å; R771-C775 PolarHBondContact O-SG 2.77Å; V772-C775 PolarHBondContact O-N 3.22Å; K773-C775 PolarHBondContact O-N 2.71Å; C775-P777 VanDerWaalsContact O-CD 3.31Å; C775-P777 WeakPolarHBondContact O-CD 3.3Å
776	N	94	Very high	93.6	Very high	31 Å²	31	36 Å²	36	17%	0.166	21%	0.213	C	C	.	.	S	Bend	trans	-80.1	115.8	-179.8	-174	56	0	0	0	110.9	I684 V772 K773 M783	I684-N776 HydrophobicContact CG1-CB 3.79Å; I684-N776 WeakPolarHBondContact CG1-OD1 3.34Å; V772-N776 PolarHBondContact O-N 3.49Å; V772-N776 VanDerWaalsContact O-N 3.08Å; K773-N776 PolarHBondContact O-N 2.9Å; N776-M783 HydrophobicContact CB-SD 3.86Å; N776-M783 VanDerWaalsContact CG-SD 3.56Å
777	P	93.4	Very high	93.7	Very high	48 Å²	48	36.3 Å²	36.3	31%	0.312	22%	0.215	S	C	.	.			trans	-60.7	139.6	177.1	-19.5	32.3	0	0	0	111.1	A683 C775 D779 A780	A683-P777 HydrophobicContact CB-CG 3.97Å; C775-P777 VanDerWaalsContact O-CD 3.31Å; C775-P777 WeakPolarHBondContact O-CD 3.3Å; P777-D779 WeakPolarHBondContact CB-OD1 3.38Å; P777-D779 PolarHBondContact O-N 2.94Å; P777-A780 HydrophobicContact CB-CB 4.11Å; P777-A780 HydrophobicContact CG-CB 4.33Å; P777-A780 WeakPolarHBondContact O-CB 3.35Å; P777-A780 PolarHBondContact O-N 3.24Å
778	P	88.8	Confident	94.2	Very high	127 Å²	127	35 Å²	35	83%	0.825	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-25.3	-176.8	26.9	-34.4	0	0	0	113.1
779	D	90.9	Very high	94.3	Very high	140 Å²	140	35.6 Å²	35.6	75%	0.749	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-0.8	179.6	63.9	-42	0	0	0	113.8	P777	P777-D779 WeakPolarHBondContact CB-OD1 3.38Å; P777-D779 PolarHBondContact O-N 2.94Å
780	A	94.6	Very high	94.4	Very high	18 Å²	18	35.4 Å²	35.4	15%	0.149	21%	0.207	C	C	.	.			trans	-68.5	154.9	176.3	0	0	0	0	0	112.1	A683 P777	A683-A780 HydrophobicContact CB-CB 3.65Å; P777-A780 HydrophobicContact CB-CB 4.11Å; P777-A780 HydrophobicContact CG-CB 4.33Å; P777-A780 WeakPolarHBondContact O-CB 3.35Å; P777-A780 PolarHBondContact O-N 3.24Å
781	G	96.8	Very high	94.8	Very high	17 Å²	17	33 Å²	33	18%	0.175	20%	0.198	C	C	.	.			trans	-65.7	-169.9	169.2	0	0	0	0	0	113.3	Q680 R681 M783	Q680-G781 WeakPolarHBondContact O-CA 3.27Å; R681-G781 PolarHBondContact O-N 2.92Å; G781-M783 PolarHBondContact O-N 2.94Å
782	P	98.2	Very high	95.1	Very high	18 Å²	18	29 Å²	29	12%	0.117	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-57.1	138.5	-178.9	-23.2	33.6	0	0	0	112.1	Y649 N657 A658 I660 S682 V784	Y649-P782 HydrophobicContact CD1-CG 4.36Å; Y649-P782 HydrophobicContact CE1-CG 4.18Å; N657-P782 WeakPolarHBondContact O-CB 3.44Å; N657-P782 VanDerWaalsContact O-CG 3.31Å; N657-P782 WeakPolarHBondContact O-CG 3.25Å; A658-P782 WeakPolarHBondContact O-CA 3.36Å; I660-P782 HydrophobicContact CD1-CB 3.92Å; I660-P782 HydrophobicContact CD1-CG 4.26Å; I660-P782 HydrophobicContact CG1-CB 3.82Å; I660-P782 HydrophobicContact CG1-CG 4.42Å; S682-P782 VanDerWaalsContact CB-O 3.31Å; S682-P782 WeakPolarHBondContact CB-O 3.05Å; S682-P782 PolarHBondContact OG-O 3.36Å; P782-V784 PolarHBondContact O-N 3Å
783	M	98.6	Very high	95.2	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.02	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	127.5	172.9	-68.5	-168.2	-61.8	0	0	109.4	A658 Y659 I660 I684 V772 N776 G781	A658-M783 PolarHBondContact O-N 3.35Å; A658-M783 VanDerWaalsContact O-N 3.1Å; Y659-M783 CarbonylContact C-O 3.55Å; Y659-M783 VanDerWaalsContact CA-O 3.24Å; Y659-M783 WeakPolarHBondContact CA-O 3.34Å; Y659-M783 HydrophobicContact CD1-CB 4.17Å; Y659-M783 HydrophobicContact CD1-CE 3.75Å; Y659-M783 HydrophobicContact CE1-CE 3.32Å; I660-M783 PolarHBondContact N-O 3.17Å; I684-M783 HydrophobicContact CB-CG 4.17Å; I684-M783 HydrophobicContact CB-SD 4.41Å; I684-M783 HydrophobicContact CG2-CG 4.47Å; I684-M783 HydrophobicContact CG2-SD 4.25Å; V772-M783 HydrophobicContact CG1-SD 4.22Å; N776-M783 HydrophobicContact CB-SD 3.86Å; N776-M783 VanDerWaalsContact CG-SD 3.56Å; G781-M783 PolarHBondContact O-N 2.94Å
784	V	98.9	Very high	95.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	121.2	177.9	178	0	0	0	0	108.3	I660 T662 F673 M676 I677 S682 I684 V685 V686 P782	I660-V784 HydrophobicContact CB-CG2 4.29Å; I660-V784 HydrophobicContact CD1-CG2 4.33Å; T662-V784 HydrophobicContact CG2-CG1 3.77Å; F673-V784 HydrophobicContact CE2-CG1 4.16Å; F673-V784 HydrophobicContact CZ-CG1 4.27Å; M676-V784 HydrophobicContact CE-CG1 3.84Å; M676-V784 HydrophobicContact CE-CG2 4.02Å; I677-V784 HydrophobicContact CG1-CG2 4.12Å; S682-V784 WeakPolarHBondContact OG-CG2 3.4Å; I684-V784 PolarHBondContact O-N 3.46Å; V685-V784 CarbonylContact C-O 3.59Å; V685-V784 WeakPolarHBondContact CA-O 3.27Å; V685-V784 HydrophobicContact CG1-CG1 4.49Å; V685-V784 HydrophobicContact CG2-CB 4.4Å; V686-V784 PolarHBondContact N-O 2.76Å; P782-V784 PolarHBondContact O-N 3Å
785	V	98.9	Very high	95.9	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	125	-179.4	-169.6	0	0	0	0	109	Y659 I660 A661 T662 V686 M688 T794 F797 I798	Y659-V785 HydrophobicContact CD1-CG2 4.21Å; I660-V785 PolarHBondContact O-N 2.93Å; A661-V785 WeakPolarHBondContact CA-O 3.38Å; T662-V785 PolarHBondContact N-O 2.95Å; T662-V785 VanDerWaalsContact N-O 3.16Å; V686-V785 HydrophobicContact CB-CB 4.35Å; V686-V785 HydrophobicContact CB-CG1 4.05Å; V686-V785 HydrophobicContact CB-CG2 4.14Å; V686-V785 HydrophobicContact CG1-CG1 4.13Å; V686-V785 HydrophobicContact CG2-CG2 4.33Å; V686-V785 WeakPolarHBondContact O-CA 3.03Å; M688-V785 HydrophobicContact CG-CG1 4.36Å; V785-T794 HydrophobicContact CB-CG2 3.97Å; V785-T794 HydrophobicContact CG1-CG2 3.77Å; V785-T794 WeakPolarHBondContact O-CG2 3.5Å; V785-F797 HydrophobicContact CG1-CB 4.18Å; V785-F797 HydrophobicContact CG1-CD1 3.81Å; V785-F797 HydrophobicContact CG1-CG 4.14Å; V785-F797 HydrophobicContact CG2-CD1 3.88Å; V785-F797 HydrophobicContact CG2-CE1 4.02Å; V785-I798 HydrophobicContact CG2-CG1 4.34Å
786	H	98.8	Very high	96.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	159.4	-178.9	81.9	90.9	0	0	0	112.5	T662 V686 M687 M688 Y702 T794	T662-H786 HydrophobicContact CG2-CB 3.72Å; T662-H786 WeakPolarHBondContact O-CA 3.42Å; T662-H786 WeakPolarHBondContact O-CB 3.45Å; V686-H786 PolarHBondContact O-N 3.3Å; M687-H786 WeakPolarHBondContact CB-NE2 3.3Å; M687-H786 VanDerWaalsContact CG-CE1 3.42Å; M687-H786 WeakPolarHBondContact CG-CE1 3.32Å; M688-H786 PolarHBondContact N-O 2.79Å; Y702-H786 AromaticContact CE1-CE1 3.6Å; Y702-H786 AromaticContact CE1-NE2 3.44Å; Y702-H786 WeakPolarHBondContact CE1-NE2 3.48Å; Y702-H786 AromaticContact CZ-NE2 3.5Å; Y702-H786 PolarHBondContact OH-NE2 2.79Å; H786-T794 VanDerWaalsContact C-OG1 3.26Å; H786-T794 WeakPolarHBondContact CA-OG1 3.39Å
787	C	95.8	Very high	96.5	Very high	9 Å²	9	20.8 Å²	20.8	6%	0.061	13%	0.13	C	C	.	.	S	Bend	trans	-132.4	-119.9	168.4	62.2	0	0	0	0	108.3	G664 M688 G790 R793 T794	G664-C787 WeakPolarHBondContact CA-O 3.04Å; G664-C787 PolarHBondContact N-O 2.74Å; M688-C787 HydrophobicContact CB-CB 4.06Å; C787-G790 PolarHBondContact SG-N 3.39Å; C787-R793 HydrophobicContact CB-CB 4.2Å; C787-T794 PolarHBondContact N-OG1 2.86Å; C787-T794 PolarHBondContact SG-OG1 2.87Å
788	S	95.8	Very high	96.7	Very high	13 Å²	13	18.5 Å²	18.5	9%	0.091	12%	0.115	C	C	.	.	S	Bend	trans	-90.3	-64.5	166.5	178.6	0	0	0	0	111.3	Y620 Q663 G664 K698	Y620-S788 VanDerWaalsContact CE2-OG 3.26Å; Y620-S788 WeakPolarHBondContact CE2-OG 3.46Å; Y620-S788 PolarHBondContact OH-OG 3.25Å; Q663-S788 CarbonylContact C-O 3.46Å; Q663-S788 WeakPolarHBondContact CA-O 3.3Å; Q663-S788 WeakPolarHBondContact CB-O 3.25Å; G664-S788 PolarHBondContact N-O 2.84Å; K698-S788 WeakPolarHBondContact O-CA 3.5Å; K698-S788 VanDerWaalsContact O-CB 3.24Å; K698-S788 WeakPolarHBondContact O-CB 3.32Å; K698-S788 PolarHBondContact O-OG 2.96Å
789	A	94.9	Very high	97.2	Very high	11 Å²	11	12.4 Å²	12.4	9%	0.091	8%	0.076	C	C	.	.	S	Bend	trans	-87.1	-16.9	178.8	0	0	0	0	0	113.8	Y620 V623 V791 R826	Y620-A789 HydrophobicContact CD2-CB 3.73Å; Y620-A789 HydrophobicContact CE2-CB 3.83Å; V623-A789 HydrophobicContact CB-CB 4.48Å; V623-A789 HydrophobicContact CG1-CB 4.22Å; V623-A789 HydrophobicContact CG2-CB 4.12Å; A789-V791 HydrophobicContact CB-CG2 4.06Å; A789-R826 PolarHBondContact O-NH2 3.5Å
790	G	96.9	Very high	97.6	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.04	C	C	.	.	S	Bend	trans	77.2	28.1	-178.6	0	0	0	0	0	115	T662 C787 R826	T662-G790 WeakPolarHBondContact O-CA 3.2Å; C787-G790 PolarHBondContact SG-N 3.39Å; G790-R826 PolarHBondContact O-NE 2.9Å
791	V	97.4	Very high	97.7	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.034	C	C	.	.	S	Bend	trans	-132.8	-44.4	-175.1	-58.3	0	0	0	0	114.1	V623 A789 G795 R826 N827 M829 V830 Q831	V623-V791 HydrophobicContact CG1-CG1 3.77Å; A789-V791 HydrophobicContact CB-CG2 4.06Å; V791-G795 PolarHBondContact O-N 3.32Å; V791-R826 HydrophobicContact CG1-CG 4.21Å; V791-N827 WeakPolarHBondContact CG1-O 3.41Å; V791-M829 HydrophobicContact CB-SD 4.19Å; V791-M829 HydrophobicContact CG1-SD 4.24Å; V791-M829 WeakPolarHBondContact O-CA 3.45Å; V791-V830 PolarHBondContact O-N 2.95Å; V791-Q831 HydrophobicContact CG2-CB 4.47Å
792	G	95.8	Very high	97.8	Very high	3 Å²	3	4.3 Å²	4.3	3%	0.031	3%	0.026	C	C	.	.	H	α-helix	trans	-74.4	-88.8	-178	0	0	0	0	0	113.7	T794 G795 C796	G792-T794 PolarHBondContact O-N 3.33Å; G792-G795 WeakPolarHBondContact O-CA 3.31Å; G792-G795 PolarHBondContact O-N 3.18Å; G792-C796 PolarHBondContact O-N 3.09Å; G792-C796 VanDerWaalsContact O-N 3.12Å
793	R	97.9	Very high	97.8	Very high	28 Å²	28	3.4 Å²	3.4	11%	0.106	2%	0.02	C	C	.	.	H	α-helix	trans	-56.4	-34.6	178.8	-53.7	-178.7	-176.8	160.8	2.5	113.2	M688 T689 E693 W753 P754 C787 G795 C796 F797	M688-R793 HydrophobicContact CB-CB 3.86Å; M688-R793 WeakPolarHBondContact O-CD 3.47Å; M688-R793 PolarHBondContact O-NH1 2.98Å; T689-R793 PolarHBondContact OG1-NH1 3.42Å; E693-R793 IonicContact OE1-CZ 2.81Å; E693-R793 IonicContact OE1-NH1 2.75Å; E693-R793 PolarHBondContact OE1-NH1 2.94Å; E693-R793 IonicContact OE1-NH2 3.6Å; E693-R793 PolarHBondContact OE1-NH2 3.39Å; E693-R793 IonicContact OE2-CZ 2.7Å; E693-R793 IonicContact OE2-NH1 2.73Å; E693-R793 IonicContact OE2-NH2 3.57Å; E693-R793 PolarHBondContact OE2-NH2 2.93Å; W753-R793 VanDerWaalsContact CD1-CZ 3.46Å; W753-R793 HydrophobicContact CD2-CB 4.43Å; W753-R793 HydrophobicContact CD2-CG 3.85Å; W753-R793 HydrophobicContact CE3-CB 4.37Å; W753-R793 HydrophobicContact CE3-CG 4.28Å; W753-R793 HydrophobicContact CG-CG 4.33Å; W753-R793 HydrophobicContact CH2-CB 4.32Å; W753-R793 HydrophobicContact CH2-CG 4.25Å; W753-R793 HydrophobicContact CZ2-CB 4.36Å; W753-R793 HydrophobicContact CZ2-CG 3.8Å; W753-R793 HydrophobicContact CZ3-CB 4.32Å; W753-R793 HydrophobicContact CZ3-CG 4.47Å; P754-R793 PolarHBondContact O-NH2 3.16Å; C787-R793 HydrophobicContact CB-CB 4.2Å; R793-G795 VanDerWaalsContact C-N 3.33Å; R793-C796 PolarHBondContact O-N 3.32Å; R793-F797 PolarHBondContact O-N 3.44Å; R793-F797 VanDerWaalsContact O-N 3.13Å
794	T	98.5	Very high	97.7	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-58.3	-44.1	171.4	-63.7	0	0	0	0	111.4	A661 V785 H786 C787 G792 F797 I798 M829	A661-T794 HydrophobicContact CB-CG2 3.75Å; V785-T794 HydrophobicContact CB-CG2 3.97Å; V785-T794 HydrophobicContact CG1-CG2 3.77Å; V785-T794 WeakPolarHBondContact O-CG2 3.5Å; H786-T794 VanDerWaalsContact C-OG1 3.26Å; H786-T794 WeakPolarHBondContact CA-OG1 3.39Å; C787-T794 PolarHBondContact N-OG1 2.86Å; C787-T794 PolarHBondContact SG-OG1 2.87Å; G792-T794 PolarHBondContact O-N 3.33Å; T794-F797 PolarHBondContact O-N 2.92Å; T794-I798 HydrophobicContact CG2-CD1 4.07Å; T794-I798 WeakPolarHBondContact O-CG1 3.25Å; T794-I798 PolarHBondContact O-N 3.14Å; T794-M829 HydrophobicContact CG2-CE 4.31Å
795	G	98.3	Very high	97.5	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-63.9	-44.5	176.1	0	0	0	0	0	112.6	V791 G792 R793 F797 I798 V799	V791-G795 PolarHBondContact O-N 3.32Å; G792-G795 WeakPolarHBondContact O-CA 3.31Å; G792-G795 PolarHBondContact O-N 3.18Å; R793-G795 VanDerWaalsContact C-N 3.33Å; G795-F797 VanDerWaalsContact C-N 3.31Å; G795-F797 PolarHBondContact O-N 3.17Å; G795-I798 PolarHBondContact O-N 2.85Å; G795-V799 VanDerWaalsContact O-CG2 3.31Å; G795-V799 WeakPolarHBondContact O-CG2 3.13Å; G795-V799 PolarHBondContact O-N 2.87Å
796	C	98.5	Very high	97.4	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-55.2	-46.4	175.6	-59.9	0	0	0	0	112.3	W753 G792 R793 I800 Q835 I839	W753-C796 HydrophobicContact CH2-CB 3.87Å; W753-C796 HydrophobicContact CZ3-CB 4.41Å; G792-C796 PolarHBondContact O-N 3.09Å; G792-C796 VanDerWaalsContact O-N 3.12Å; R793-C796 PolarHBondContact O-N 3.32Å; C796-I800 WeakPolarHBondContact O-CB 3.36Å; C796-I800 WeakPolarHBondContact O-CD1 3.26Å; C796-I800 VanDerWaalsContact O-CG1 3.23Å; C796-I800 WeakPolarHBondContact O-CG1 3.02Å; C796-I800 PolarHBondContact O-N 2.92Å; C796-Q835 WeakPolarHBondContact SG-CB 3.25Å; C796-I839 HydrophobicContact CB-CD1 4.49Å; C796-I839 HydrophobicContact CB-CG1 4.22Å
797	F	98.8	Very high	97.2	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-56.2	-52.1	176.2	-177.4	-87	0	0	0	112.4	V686 M688 F765 F768 L769 V772 V785 R793 T794 G795 V799 D801	V686-F797 HydrophobicContact CG1-CD1 4.4Å; V686-F797 HydrophobicContact CG1-CD2 3.95Å; V686-F797 HydrophobicContact CG1-CE1 4.28Å; V686-F797 HydrophobicContact CG1-CE2 3.82Å; V686-F797 HydrophobicContact CG1-CG 4.26Å; V686-F797 HydrophobicContact CG1-CZ 4Å; V686-F797 HydrophobicContact CG2-CE1 4.15Å; V686-F797 HydrophobicContact CG2-CZ 3.95Å; M688-F797 HydrophobicContact CG-CB 4.46Å; M688-F797 HydrophobicContact SD-CB 4.36Å; M688-F797 HydrophobicContact SD-CD2 4.01Å; M688-F797 HydrophobicContact SD-CG 4.42Å; F765-F797 HydrophobicContact CZ-CB 4.14Å; F765-F797 HydrophobicContact CZ-CD2 4.15Å; F768-F797 HydrophobicContact CD1-CD2 4.49Å; F768-F797 HydrophobicContact CD1-CE2 4.21Å; F768-F797 HydrophobicContact CE1-CD2 4.08Å; F768-F797 AromaticContact CE1-CE2 3.82Å; F768-F797 HydrophobicContact CE1-CE2 3.82Å; L769-F797 HydrophobicContact CB-CE2 4.26Å; L769-F797 HydrophobicContact CD1-CE2 4.49Å; L769-F797 HydrophobicContact CG-CE2 4.14Å; L769-F797 HydrophobicContact CG-CZ 4.48Å; V772-F797 HydrophobicContact CB-CZ 4.33Å; V772-F797 HydrophobicContact CG1-CZ 3.91Å; V772-F797 HydrophobicContact CG2-CE2 4.49Å; V785-F797 HydrophobicContact CG1-CB 4.18Å; V785-F797 HydrophobicContact CG1-CD1 3.81Å; V785-F797 HydrophobicContact CG1-CG 4.14Å; V785-F797 HydrophobicContact CG2-CD1 3.88Å; V785-F797 HydrophobicContact CG2-CE1 4.02Å; R793-F797 PolarHBondContact O-N 3.44Å; R793-F797 VanDerWaalsContact O-N 3.13Å; T794-F797 PolarHBondContact O-N 2.92Å; G795-F797 VanDerWaalsContact C-N 3.31Å; G795-F797 PolarHBondContact O-N 3.17Å; F797-V799 PolarHBondContact O-N 3.32Å; F797-D801 WeakPolarHBondContact O-CB 3.37Å; F797-D801 PolarHBondContact O-N 3.27Å
798	I	98.8	Very high	97.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.3	-44.3	-176.2	-66.6	168.1	0	0	0	111.5	I650 Y659 A661 V785 T794 G795 D801 A802 M822 M829	I650-I798 HydrophobicContact CB-CD1 4.19Å; I650-I798 HydrophobicContact CG1-CD1 4.21Å; I650-I798 HydrophobicContact CG2-CD1 4.16Å; I650-I798 HydrophobicContact CG2-CG2 3.87Å; Y659-I798 HydrophobicContact CD1-CG1 4.15Å; Y659-I798 HydrophobicContact CD2-CB 4.43Å; Y659-I798 HydrophobicContact CD2-CD1 4.49Å; Y659-I798 HydrophobicContact CD2-CG1 4.14Å; Y659-I798 HydrophobicContact CD2-CG2 3.57Å; Y659-I798 HydrophobicContact CE2-CG2 3.63Å; Y659-I798 HydrophobicContact CG-CD1 4.22Å; Y659-I798 HydrophobicContact CG-CG1 3.91Å; Y659-I798 HydrophobicContact CG-CG2 4.22Å; A661-I798 HydrophobicContact CB-CD1 4.26Å; V785-I798 HydrophobicContact CG2-CG1 4.34Å; T794-I798 HydrophobicContact CG2-CD1 4.07Å; T794-I798 WeakPolarHBondContact O-CG1 3.25Å; T794-I798 PolarHBondContact O-N 3.14Å; G795-I798 PolarHBondContact O-N 2.85Å; I798-D801 PolarHBondContact O-N 2.96Å; I798-A802 WeakPolarHBondContact O-CB 3.42Å; I798-A802 PolarHBondContact O-N 2.8Å; I798-M822 HydrophobicContact CB-CE 3.7Å; I798-M822 HydrophobicContact CB-SD 4.39Å; I798-M822 HydrophobicContact CD1-CE 4.3Å; I798-M822 HydrophobicContact CG2-CE 3.65Å; I798-M822 HydrophobicContact CG2-SD 3.83Å; I798-M829 HydrophobicContact CD1-CE 4.11Å
799	V	98.7	Very high	97	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.8	-48.8	-178.5	-179.9	0	0	0	0	111.3	G795 F797 D801 A802 M803 I815 V819 M822 V830 I839	G795-V799 VanDerWaalsContact O-CG2 3.31Å; G795-V799 WeakPolarHBondContact O-CG2 3.13Å; G795-V799 PolarHBondContact O-N 2.87Å; F797-V799 PolarHBondContact O-N 3.32Å; V799-D801 PolarHBondContact O-N 2.89Å; V799-A802 PolarHBondContact O-N 3.26Å; V799-M803 HydrophobicContact CG1-CG 4.1Å; V799-M803 WeakPolarHBondContact O-CB 3.5Å; V799-M803 VanDerWaalsContact O-CG 3.28Å; V799-M803 WeakPolarHBondContact O-CG 3.43Å; V799-M803 PolarHBondContact O-N 2.82Å; V799-I815 HydrophobicContact CG1-CG2 4.17Å; V799-V819 HydrophobicContact CG1-CG2 4.31Å; V799-V819 HydrophobicContact CG2-CG2 3.69Å; V799-M822 HydrophobicContact CB-SD 4.48Å; V799-M822 HydrophobicContact CG2-CE 3.93Å; V799-M822 HydrophobicContact CG2-SD 3.3Å; V799-M822 WeakPolarHBondContact CG2-SD 3.23Å; V799-V830 HydrophobicContact CG2-CG2 4.03Å; V799-I839 HydrophobicContact CB-CD1 4.04Å; V799-I839 HydrophobicContact CB-CG2 4.29Å; V799-I839 HydrophobicContact CG1-CD1 4.22Å; V799-I839 HydrophobicContact CG1-CG2 3.63Å; V799-I839 HydrophobicContact CG2-CD1 4.23Å
800	I	98.6	Very high	97	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.1	-43.2	-179.7	-65.9	164.4	0	0	0	109.1	F765 L766 L769 C796 M803 L804 F838 I839 A842 L843	F765-I800 HydrophobicContact CD1-CD1 3.99Å; F765-I800 HydrophobicContact CE1-CB 4.12Å; F765-I800 HydrophobicContact CE1-CD1 3.3Å; F765-I800 HydrophobicContact CE1-CG1 4.29Å; F765-I800 HydrophobicContact CE1-CG2 4.12Å; F765-I800 HydrophobicContact CZ-CD1 3.81Å; L766-I800 HydrophobicContact CD2-CG2 4.09Å; L769-I800 HydrophobicContact CD1-CB 4.16Å; L769-I800 HydrophobicContact CD1-CG2 3.74Å; C796-I800 WeakPolarHBondContact O-CB 3.36Å; C796-I800 WeakPolarHBondContact O-CD1 3.26Å; C796-I800 VanDerWaalsContact O-CG1 3.23Å; C796-I800 WeakPolarHBondContact O-CG1 3.02Å; C796-I800 PolarHBondContact O-N 2.92Å; I800-M803 PolarHBondContact O-N 2.78Å; I800-L804 HydrophobicContact CG2-CD1 3.88Å; I800-L804 HydrophobicContact CG2-CG 4.21Å; I800-L804 WeakPolarHBondContact O-CB 3.15Å; I800-L804 WeakPolarHBondContact O-CG 3.13Å; I800-L804 PolarHBondContact O-N 3.13Å; I800-F838 HydrophobicContact CD1-CD1 4.22Å; I800-F838 HydrophobicContact CD1-CE1 4.05Å; I800-I839 HydrophobicContact CD1-CG1 4.14Å; I800-I839 HydrophobicContact CG1-CB 4.17Å; I800-I839 HydrophobicContact CG1-CG1 3.98Å; I800-I839 HydrophobicContact CG1-CG2 3.94Å; I800-A842 HydrophobicContact CD1-CB 3.66Å; I800-A842 HydrophobicContact CG1-CB 4.13Å; I800-A842 HydrophobicContact CG2-CB 4.31Å; I800-L843 HydrophobicContact CG2-CD2 4.37Å
801	D	98.3	Very high	96.9	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.016	13%	0.126	C	C	.	.	H	α-helix	trans	-63.1	-46.8	179.3	-168.9	45.9	0	0	0	113.3	Y659 L769 K773 F797 I798 V799 L804 E805	Y659-D801 WeakPolarHBondContact CE1-OD2 3.42Å; Y659-D801 PolarHBondContact OH-OD2 3.31Å; L769-D801 HydrophobicContact CD1-CB 3.94Å; L769-D801 WeakPolarHBondContact CD2-OD1 2.94Å; L769-D801 HydrophobicContact CG-CB 4.4Å; K773-D801 WeakPolarHBondContact CE-OD1 2.93Å; K773-D801 WeakPolarHBondContact CE-OD2 3.28Å; K773-D801 IonicContact NZ-OD1 2.83Å; K773-D801 IonicContact NZ-OD2 2.93Å; K773-D801 PolarHBondContact NZ-OD2 2.95Å; F797-D801 WeakPolarHBondContact O-CB 3.37Å; F797-D801 PolarHBondContact O-N 3.27Å; I798-D801 PolarHBondContact O-N 2.96Å; V799-D801 PolarHBondContact O-N 2.89Å; D801-L804 PolarHBondContact O-N 3.44Å; D801-E805 PolarHBondContact O-N 2.89Å; D801-E805 VanDerWaalsContact O-N 3.14Å
802	A	97.8	Very high	96.8	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.008	13%	0.134	C	C	.	.	H	α-helix	trans	-63.2	-41.9	176.5	0	0	0	0	0	112.1	Y653 I798 V799 E805 R806 H818	Y653-A802 VanDerWaalsContact CB-O 3.25Å; Y653-A802 WeakPolarHBondContact CB-O 3.32Å; I798-A802 WeakPolarHBondContact O-CB 3.42Å; I798-A802 PolarHBondContact O-N 2.8Å; V799-A802 PolarHBondContact O-N 3.26Å; A802-E805 PolarHBondContact O-N 3.39Å; A802-R806 PolarHBondContact O-N 3.05Å; A802-H818 WeakPolarHBondContact CB-NE2 3.45Å
803	M	98.2	Very high	96.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-71.4	-36	179.7	-69.1	-55.6	98.6	0	0	112.4	V799 I800 E805 R806 I807 V813 D814 I815 H818 L843	V799-M803 HydrophobicContact CG1-CG 4.1Å; V799-M803 WeakPolarHBondContact O-CB 3.5Å; V799-M803 VanDerWaalsContact O-CG 3.28Å; V799-M803 WeakPolarHBondContact O-CG 3.43Å; V799-M803 PolarHBondContact O-N 2.82Å; I800-M803 PolarHBondContact O-N 2.78Å; M803-E805 VanDerWaalsContact C-N 3.26Å; M803-E805 PolarHBondContact O-N 3.45Å; M803-R806 HydrophobicContact CE-CB 4.46Å; M803-R806 WeakPolarHBondContact O-CB 3.34Å; M803-R806 PolarHBondContact O-N 3.49Å; M803-I807 WeakPolarHBondContact O-CD1 2.67Å; M803-I807 VanDerWaalsContact O-CG1 3.24Å; M803-I807 WeakPolarHBondContact O-CG1 3.47Å; M803-I807 PolarHBondContact O-N 3.06Å; M803-V813 HydrophobicContact CB-CG1 4.43Å; M803-V813 HydrophobicContact SD-CB 4.33Å; M803-D814 PolarHBondContact SD-N 3.37Å; M803-I815 HydrophobicContact CG-CG1 4.22Å; M803-H818 HydrophobicContact CE-CB 3.71Å; M803-L843 HydrophobicContact CB-CD1 3.54Å; M803-L843 HydrophobicContact CB-CD2 3.55Å; M803-L843 HydrophobicContact CB-CG 4.21Å; M803-L843 HydrophobicContact CG-CD1 3.85Å
804	L	95.9	Very high	96.9	Very high	31 Å²	31	29.1 Å²	29.1	16%	0.162	14%	0.135	C	C	.	.	H	α-helix	trans	-61.8	-36.2	171.7	-73.4	175.8	0	0	0	112	L766 L769 I800 D801 I807 L843 A846	L766-L804 HydrophobicContact CD2-CD1 4.16Å; L769-L804 HydrophobicContact CD1-CD1 4.13Å; L769-L804 HydrophobicContact CD2-CD1 3.78Å; I800-L804 HydrophobicContact CG2-CD1 3.88Å; I800-L804 HydrophobicContact CG2-CG 4.21Å; I800-L804 WeakPolarHBondContact O-CB 3.15Å; I800-L804 WeakPolarHBondContact O-CG 3.13Å; I800-L804 PolarHBondContact O-N 3.13Å; D801-L804 PolarHBondContact O-N 3.44Å; L804-I807 HydrophobicContact CD2-CD1 4.38Å; L804-L843 HydrophobicContact CD2-CD2 3.93Å; L804-L843 HydrophobicContact CG-CD2 3.95Å; L804-A846 HydrophobicContact CD2-CB 3.42Å; L804-A846 VanDerWaalsContact CD2-CB 3.42Å
805	E	95	Very high	96.8	Very high	59 Å²	59	29.2 Å²	29.2	28%	0.276	14%	0.136	S	C	.	.	H	α-helix	trans	-69.1	-44.7	172.2	-166.7	58	-149.2	0	0	111.1	Y653 D801 A802 M803 I807 K808 H809	Y653-E805 HydrophobicContact CD1-CB 4.23Å; Y653-E805 HydrophobicContact CD1-CG 3.99Å; D801-E805 PolarHBondContact O-N 2.89Å; D801-E805 VanDerWaalsContact O-N 3.14Å; A802-E805 PolarHBondContact O-N 3.39Å; M803-E805 VanDerWaalsContact C-N 3.26Å; M803-E805 PolarHBondContact O-N 3.45Å; E805-I807 VanDerWaalsContact C-N 3.32Å; E805-I807 PolarHBondContact O-N 2.93Å; E805-K808 WeakPolarHBondContact O-CB 3.37Å; E805-K808 PolarHBondContact O-N 2.8Å; E805-K808 VanDerWaalsContact O-N 3.07Å; E805-K808 IonicContact OE2-NZ 2.98Å; E805-K808 PolarHBondContact OE2-NZ 3.17Å; E805-H809 PolarHBondContact O-CD2 2.85Å; E805-H809 VanDerWaalsContact O-CD2 3.25Å; E805-H809 IonicContact OE1-CD2 3.35Å; E805-H809 IonicContact OE1-NE2 3.19Å; E805-H809 PolarHBondContact OE1-NE2 3.21Å
806	R	96.6	Very high	96.8	Very high	30 Å²	30	29.8 Å²	29.8	11%	0.113	14%	0.138	C	C	.	.	H	α-helix	trans	-55.5	-43.7	175.7	-175.9	175.7	178.2	151.1	1.7	112.9	Y653 A802 M803 K808 H809 E810 T812 D814	Y653-R806 HydrophobicContact CD1-CB 4.21Å; Y653-R806 HydrophobicContact CD2-CB 3.6Å; Y653-R806 HydrophobicContact CD2-CG 3.83Å; Y653-R806 HydrophobicContact CE1-CB 4.27Å; Y653-R806 HydrophobicContact CE2-CB 3.7Å; Y653-R806 HydrophobicContact CE2-CG 3.46Å; Y653-R806 VanDerWaalsContact CE2-CG 3.46Å; Y653-R806 HydrophobicContact CG-CB 3.85Å; A802-R806 PolarHBondContact O-N 3.05Å; M803-R806 HydrophobicContact CE-CB 4.46Å; M803-R806 WeakPolarHBondContact O-CB 3.34Å; M803-R806 PolarHBondContact O-N 3.49Å; R806-K808 PolarHBondContact O-N 3.3Å; R806-H809 PolarHBondContact O-N 3.48Å; R806-H809 VanDerWaalsContact O-N 3.07Å; R806-E810 HydrophobicContact CG-CB 4.25Å; R806-E810 IonicContact CZ-OE2 3.69Å; R806-E810 IonicContact NE-OE2 2.81Å; R806-E810 PolarHBondContact NE-OE2 3.33Å; R806-E810 VanDerWaalsContact NE-OE2 3.11Å; R806-E810 IonicContact NH2-OE2 3.63Å; R806-E810 PolarHBondContact NH2-OE2 3.41Å; R806-E810 VanDerWaalsContact NH2-OE2 3.12Å; R806-E810 PolarHBondContact O-N 3.27Å; R806-T812 WeakPolarHBondContact CG-O 3.19Å; R806-T812 PolarHBondContact NE-OG1 2.88Å; R806-T812 PolarHBondContact NH2-OG1 2.71Å; R806-D814 IonicContact NH1-OD2 3.48Å; R806-D814 PolarHBondContact NH1-OD2 2.97Å
807	I	95.3	Very high	96.7	Very high	22 Å²	22	30.1 Å²	30.1	11%	0.113	14%	0.141	C	C	.	.	H	α-helix	trans	-58	-32.6	178.8	-71.5	162.1	0	0	0	111.9	I573 M803 L804 E805 H809 K811 V813 L843 V847	I573-I807 HydrophobicContact CG2-CD1 4.49Å; I573-I807 HydrophobicContact CG2-CG1 3.89Å; I573-I807 HydrophobicContact CG2-CG2 4.15Å; M803-I807 WeakPolarHBondContact O-CD1 2.67Å; M803-I807 VanDerWaalsContact O-CG1 3.24Å; M803-I807 WeakPolarHBondContact O-CG1 3.47Å; M803-I807 PolarHBondContact O-N 3.06Å; L804-I807 HydrophobicContact CD2-CD1 4.38Å; E805-I807 VanDerWaalsContact C-N 3.32Å; E805-I807 PolarHBondContact O-N 2.93Å; I807-H809 VanDerWaalsContact C-N 3.35Å; I807-K811 WeakPolarHBondContact O-CD 3.33Å; I807-K811 PolarHBondContact O-N 2.98Å; I807-K811 PolarHBondContact O-NZ 3.06Å; I807-V813 HydrophobicContact CD1-CG1 3.52Å; I807-V813 HydrophobicContact CG1-CG1 3.48Å; I807-V813 VanDerWaalsContact CG1-CG1 3.48Å; I807-L843 HydrophobicContact CD1-CD2 4.01Å; I807-V847 HydrophobicContact CD1-CG2 3.87Å
808	K	92.6	Very high	96.6	Very high	130 Å²	130	30.9 Å²	30.9	57%	0.565	15%	0.145	S	C	*	.	H	α-helix	trans	-65.3	-40.1	177.9	-64.5	174.2	-168.1	163.9	0	111.6	E805 R806 K811	E805-K808 WeakPolarHBondContact O-CB 3.37Å; E805-K808 PolarHBondContact O-N 2.8Å; E805-K808 VanDerWaalsContact O-N 3.07Å; E805-K808 IonicContact OE2-NZ 2.98Å; E805-K808 PolarHBondContact OE2-NZ 3.17Å; R806-K808 PolarHBondContact O-N 3.3Å; K808-K811 PolarHBondContact O-NZ 3Å
809	H	93.8	Very high	96.6	Very high	111 Å²	111	30.9 Å²	30.9	51%	0.514	15%	0.145	S	C	.	.	H	α-helix	trans	-93.1	-44.3	-173.1	-62.8	-79.6	0	0	0	113.7	Y653 E805 R806 I807	Y653-H809 HydrophobicContact CE1-CB 4.2Å; Y653-H809 AromaticContact CE1-CD2 3.75Å; E805-H809 PolarHBondContact O-CD2 2.85Å; E805-H809 VanDerWaalsContact O-CD2 3.25Å; E805-H809 IonicContact OE1-CD2 3.35Å; E805-H809 IonicContact OE1-NE2 3.19Å; E805-H809 PolarHBondContact OE1-NE2 3.21Å; R806-H809 PolarHBondContact O-N 3.48Å; R806-H809 VanDerWaalsContact O-N 3.07Å; I807-H809 VanDerWaalsContact C-N 3.35Å
810	E	94.6	Very high	96.5	Very high	55 Å²	55	31.5 Å²	31.5	26%	0.257	15%	0.148	S	C	.	.	H	α-helix	trans	-111.2	-11.3	-168.5	-74.3	177.7	-155.4	0	0	114.5	Y653 R654 R806 T812	Y653-E810 VanDerWaalsContact OH-CG 3.28Å; Y653-E810 WeakPolarHBondContact OH-CG 2.76Å; Y653-E810 PolarHBondContact OH-OE1 3.4Å; R654-E810 IonicContact CZ-OE1 2.69Å; R654-E810 IonicContact NE-OE1 3.59Å; R654-E810 IonicContact NH2-OE1 3.74Å; R654-E810 PolarHBondContact NH2-OE1 3.28Å; R806-E810 HydrophobicContact CG-CB 4.25Å; R806-E810 IonicContact CZ-OE2 3.69Å; R806-E810 IonicContact NE-OE2 2.81Å; R806-E810 PolarHBondContact NE-OE2 3.33Å; R806-E810 VanDerWaalsContact NE-OE2 3.11Å; R806-E810 IonicContact NH2-OE2 3.63Å; R806-E810 PolarHBondContact NH2-OE2 3.41Å; R806-E810 VanDerWaalsContact NH2-OE2 3.12Å; R806-E810 PolarHBondContact O-N 3.27Å; E810-T812 PolarHBondContact O-N 2.88Å; E810-T812 VanDerWaalsContact O-N 3.1Å
811	K	95.2	Very high	96.4	Very high	113 Å²	113	33.6 Å²	33.6	49%	0.491	16%	0.159	S	C	.	.	S	Bend	trans	53.4	29.2	-174.4	-51.5	-65.8	165.5	-154.4	0	113.3	I573 I807 K808	I573-K811 HydrophobicContact CD1-CB 4Å; I573-K811 HydrophobicContact CD1-CD 3.78Å; I573-K811 HydrophobicContact CD1-CG 4.47Å; I573-K811 HydrophobicContact CG1-CB 4.22Å; I573-K811 WeakPolarHBondContact CG1-O 3.46Å; I573-K811 WeakPolarHBondContact CG2-O 3.39Å; I573-K811 PolarHBondContact N-O 2.89Å; I807-K811 WeakPolarHBondContact O-CD 3.33Å; I807-K811 PolarHBondContact O-N 2.98Å; I807-K811 PolarHBondContact O-NZ 3.06Å; K808-K811 PolarHBondContact O-NZ 3Å
812	T	96.3	Very high	96.4	Very high	28 Å²	28	33.4 Å²	33.4	17%	0.172	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	159.8	174.4	57.1	0	0	0	0	110.1	I571 R806 E810	I571-T812 CarbonylContact O-C 3.55Å; I571-T812 VanDerWaalsContact O-CA 3.24Å; I571-T812 WeakPolarHBondContact O-CA 3.17Å; R806-T812 WeakPolarHBondContact CG-O 3.19Å; R806-T812 PolarHBondContact NE-OG1 2.88Å; R806-T812 PolarHBondContact NH2-OG1 2.71Å; E810-T812 PolarHBondContact O-N 2.88Å; E810-T812 VanDerWaalsContact O-N 3.1Å
813	V	97.3	Very high	96.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	150.3	167.4	-63.1	0	0	0	0	109.8	P570 I571 L576 M803 I807 I815 L843	P570-V813 CarbonylContact C-O 3.56Å; P570-V813 WeakPolarHBondContact CA-O 3.37Å; I571-V813 HydrophobicContact CB-CG2 3.94Å; I571-V813 HydrophobicContact CD1-CG2 4.27Å; I571-V813 PolarHBondContact N-O 3.19Å; I571-V813 PolarHBondContact O-N 2.63Å; L576-V813 HydrophobicContact CD1-CG2 3.81Å; L576-V813 HydrophobicContact CD2-CG2 4.38Å; M803-V813 HydrophobicContact CB-CG1 4.43Å; M803-V813 HydrophobicContact SD-CB 4.33Å; I807-V813 HydrophobicContact CD1-CG1 3.52Å; I807-V813 HydrophobicContact CG1-CG1 3.48Å; I807-V813 VanDerWaalsContact CG1-CG1 3.48Å; V813-I815 HydrophobicContact CG2-CD1 4.42Å; V813-L843 HydrophobicContact CG1-CD1 4.45Å
814	D	97.2	Very high	96.3	Very high	29 Å²	29	36 Å²	36	16%	0.155	17%	0.172	C	C	.	.			trans	-144.5	75.9	178.4	179.9	7.6	0	0	0	108.3	P570 M803 R806 G817 H818	P570-D814 HydrophobicContact CB-CB 4.22Å; P570-D814 HydrophobicContact CG-CB 4.27Å; M803-D814 PolarHBondContact SD-N 3.37Å; R806-D814 IonicContact NH1-OD2 3.48Å; R806-D814 PolarHBondContact NH1-OD2 2.97Å; D814-G817 VanDerWaalsContact OD1-CA 3.27Å; D814-G817 WeakPolarHBondContact OD1-CA 3.12Å; D814-G817 PolarHBondContact OD1-N 3.46Å; D814-H818 WeakPolarHBondContact O-CB 3.44Å; D814-H818 PolarHBondContact O-N 3.34Å; D814-H818 VanDerWaalsContact O-N 3.11Å
815	I	98.3	Very high	96.4	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-70.2	-46.2	-173.6	-62.8	158.4	0	0	0	108.8	V799 M803 V813 H818 V819 Y836 I839 H840 L843	V799-I815 HydrophobicContact CG1-CG2 4.17Å; M803-I815 HydrophobicContact CG-CG1 4.22Å; V813-I815 HydrophobicContact CG2-CD1 4.42Å; I815-H818 PolarHBondContact O-N 3.38Å; I815-V819 HydrophobicContact CG2-CG2 4.39Å; I815-V819 WeakPolarHBondContact O-CB 3.04Å; I815-V819 VanDerWaalsContact O-CG2 3.28Å; I815-V819 WeakPolarHBondContact O-CG2 3.34Å; I815-V819 PolarHBondContact O-N 3.09Å; I815-Y836 HydrophobicContact CG2-CD2 4.31Å; I815-Y836 HydrophobicContact CG2-CE2 3.7Å; I815-I839 HydrophobicContact CD1-CG2 4.26Å; I815-I839 HydrophobicContact CG1-CG2 4.13Å; I815-I839 HydrophobicContact CG2-CB 4.48Å; I815-I839 HydrophobicContact CG2-CG2 3.71Å; I815-H840 HydrophobicContact CD1-CB 4.43Å; I815-H840 WeakPolarHBondContact CD1-CD2 3.27Å; I815-H840 VanDerWaalsContact CD1-NE2 3.32Å; I815-H840 WeakPolarHBondContact CD1-NE2 3.26Å; I815-L843 HydrophobicContact CD1-CD1 3.54Å; I815-L843 HydrophobicContact CG1-CD1 3.62Å
816	Y	97.6	Very high	96.6	Very high	13 Å²	13	32.6 Å²	32.6	5%	0.051	16%	0.155	C	C	.	.	H	α-helix	trans	-55	-53.4	176.1	-177.8	-94.3	0	0	0	112.5	H568 E594 S597 I598 H818 V819 T820 Y836	H568-Y816 HydrophobicContact CB-CD1 3.54Å; H568-Y816 HydrophobicContact CB-CD2 4.41Å; H568-Y816 HydrophobicContact CB-CE1 3.99Å; H568-Y816 HydrophobicContact CB-CG 3.77Å; H568-Y816 AromaticContact CD2-CE1 3.81Å; H568-Y816 AromaticContact CD2-CE2 3.97Å; H568-Y816 AromaticContact CD2-CZ 3.68Å; H568-Y816 AromaticContact CG-CD1 3.96Å; H568-Y816 AromaticContact CG-CG 3.98Å; E594-Y816 HydrophobicContact CG-CD2 3.59Å; E594-Y816 HydrophobicContact CG-CE2 4.08Å; S597-Y816 PolarHBondContact O-OH 2.88Å; S597-Y816 VanDerWaalsContact O-OH 3.14Å; S597-Y816 VanDerWaalsContact OG-CE2 3.3Å; S597-Y816 WeakPolarHBondContact OG-CE2 3.32Å; S597-Y816 PolarHBondContact OG-OH 3.47Å; I598-Y816 HydrophobicContact CB-CE2 4.47Å; I598-Y816 HydrophobicContact CG1-CD2 3.83Å; I598-Y816 HydrophobicContact CG1-CE2 3.58Å; Y816-H818 PolarHBondContact O-N 3.17Å; Y816-V819 PolarHBondContact O-N 2.91Å; Y816-T820 WeakPolarHBondContact O-CB 3.46Å; Y816-T820 PolarHBondContact O-N 3.11Å; Y816-T820 PolarHBondContact O-OG1 2.83Å; Y816-Y836 WeakPolarHBondContact CA-OH 3.5Å; Y816-Y836 WeakPolarHBondContact CB-OH 3.49Å; Y816-Y836 PolarHBondContact N-OH 3.26Å
817	G	95.4	Very high	96.4	Very high	6 Å²	6	31.5 Å²	31.5	6%	0.062	15%	0.151	C	C	.	.	H	α-helix	trans	-63.7	-40.2	-178.9	0	0	0	0	0	112.6	D814 T820 L821	D814-G817 VanDerWaalsContact OD1-CA 3.27Å; D814-G817 WeakPolarHBondContact OD1-CA 3.12Å; D814-G817 PolarHBondContact OD1-N 3.46Å; G817-T820 PolarHBondContact O-N 3.04Å; G817-L821 PolarHBondContact O-N 3.27Å
818	H	97.9	Very high	96.4	Very high	16 Å²	16	36.1 Å²	36.1	7%	0.074	17%	0.168	C	C	.	.	H	α-helix	trans	-71.7	-38.1	179.3	-154.5	73.3	0	0	0	112.8	A802 M803 D814 I815 Y816 T820 L821 M822	A802-H818 WeakPolarHBondContact CB-NE2 3.45Å; M803-H818 HydrophobicContact CE-CB 3.71Å; D814-H818 WeakPolarHBondContact O-CB 3.44Å; D814-H818 PolarHBondContact O-N 3.34Å; D814-H818 VanDerWaalsContact O-N 3.11Å; I815-H818 PolarHBondContact O-N 3.38Å; Y816-H818 PolarHBondContact O-N 3.17Å; H818-T820 VanDerWaalsContact C-N 3.35Å; H818-L821 WeakPolarHBondContact O-CB 3.35Å; H818-L821 PolarHBondContact O-N 3.38Å; H818-M822 VanDerWaalsContact O-CG 3.27Å; H818-M822 WeakPolarHBondContact O-CG 3.43Å; H818-M822 PolarHBondContact O-N 3.49Å
819	V	98.3	Very high	96.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.7	-40.5	173.5	176.3	0	0	0	0	110.8	I598 V799 I815 Y816 L821 M822 R823 V830 Y836	I598-V819 HydrophobicContact CD1-CB 4.4Å; I598-V819 HydrophobicContact CD1-CG1 3.89Å; I598-V819 HydrophobicContact CG2-CG1 4.16Å; V799-V819 HydrophobicContact CG1-CG2 4.31Å; V799-V819 HydrophobicContact CG2-CG2 3.69Å; I815-V819 HydrophobicContact CG2-CG2 4.39Å; I815-V819 WeakPolarHBondContact O-CB 3.04Å; I815-V819 VanDerWaalsContact O-CG2 3.28Å; I815-V819 WeakPolarHBondContact O-CG2 3.34Å; I815-V819 PolarHBondContact O-N 3.09Å; Y816-V819 PolarHBondContact O-N 2.91Å; V819-L821 VanDerWaalsContact C-N 3.33Å; V819-L821 PolarHBondContact O-N 3.22Å; V819-M822 PolarHBondContact O-N 3.34Å; V819-R823 HydrophobicContact CG1-CG 4.47Å; V819-R823 PolarHBondContact O-N 2.74Å; V819-V830 HydrophobicContact CG1-CB 4.16Å; V819-V830 HydrophobicContact CG1-CG2 4.24Å; V819-V830 HydrophobicContact CG2-CB 4.5Å; V819-V830 HydrophobicContact CG2-CG2 3.89Å; V819-Y836 HydrophobicContact CB-CE2 4.45Å; V819-Y836 HydrophobicContact CG2-CD2 4.31Å; V819-Y836 HydrophobicContact CG2-CE2 4.06Å
820	T	96.5	Very high	96.9	Very high	13 Å²	13	24.6 Å²	24.6	8%	0.08	12%	0.117	C	C	.	.	H	α-helix	trans	-58.2	-45.3	174.5	-57.5	0	0	0	0	111.2	Y816 G817 H818 R823 A824	Y816-T820 WeakPolarHBondContact O-CB 3.46Å; Y816-T820 PolarHBondContact O-N 3.11Å; Y816-T820 PolarHBondContact O-OG1 2.83Å; G817-T820 PolarHBondContact O-N 3.04Å; H818-T820 VanDerWaalsContact C-N 3.35Å; T820-R823 PolarHBondContact O-N 2.79Å; T820-A824 PolarHBondContact O-N 3.21Å
821	L	96.1	Very high	96.8	Very high	44 Å²	44	26.2 Å²	26.2	23%	0.23	12%	0.124	C	C	.	.	H	α-helix	trans	-58.9	-48.3	173.6	174.5	64.7	0	0	0	111.7	D651 G817 H818 V819 R823 A824 Q825	D651-L821 HydrophobicContact CB-CD2 4.11Å; G817-L821 PolarHBondContact O-N 3.27Å; H818-L821 WeakPolarHBondContact O-CB 3.35Å; H818-L821 PolarHBondContact O-N 3.38Å; V819-L821 VanDerWaalsContact C-N 3.33Å; V819-L821 PolarHBondContact O-N 3.22Å; L821-R823 VanDerWaalsContact C-N 3.3Å; L821-R823 PolarHBondContact O-N 3.26Å; L821-A824 WeakPolarHBondContact O-CB 3.46Å; L821-A824 PolarHBondContact O-N 3.34Å; L821-A824 VanDerWaalsContact O-N 3.09Å; L821-Q825 PolarHBondContact O-N 3.29Å
822	M	98.1	Very high	96.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.4	-35.6	-179.7	-69.6	172.2	60.4	0	0	112.5	I650 I798 V799 H818 V819 A824 Q825 R826 M829	I650-M822 HydrophobicContact CG2-CB 4.4Å; I650-M822 HydrophobicContact CG2-CE 4.1Å; I650-M822 HydrophobicContact CG2-CG 3.68Å; I650-M822 HydrophobicContact CG2-SD 4.37Å; I798-M822 HydrophobicContact CB-CE 3.7Å; I798-M822 HydrophobicContact CB-SD 4.39Å; I798-M822 HydrophobicContact CD1-CE 4.3Å; I798-M822 HydrophobicContact CG2-CE 3.65Å; I798-M822 HydrophobicContact CG2-SD 3.83Å; V799-M822 HydrophobicContact CB-SD 4.48Å; V799-M822 HydrophobicContact CG2-CE 3.93Å; V799-M822 HydrophobicContact CG2-SD 3.3Å; V799-M822 WeakPolarHBondContact CG2-SD 3.23Å; H818-M822 VanDerWaalsContact O-CG 3.27Å; H818-M822 WeakPolarHBondContact O-CG 3.43Å; H818-M822 PolarHBondContact O-N 3.49Å; V819-M822 PolarHBondContact O-N 3.34Å; M822-A824 PolarHBondContact O-N 2.86Å; M822-Q825 PolarHBondContact O-N 2.92Å; M822-R826 PolarHBondContact O-N 2.93Å; M822-M829 HydrophobicContact CB-CB 3.89Å; M822-M829 HydrophobicContact CB-CG 4.1Å; M822-M829 HydrophobicContact CE-CB 4.17Å; M822-M829 HydrophobicContact CE-CE 3.35Å; M822-M829 HydrophobicContact CE-CG 4.43Å
823	R	97.9	Very high	96.7	Very high	37 Å²	37	24.5 Å²	24.5	14%	0.14	12%	0.12	C	C	.	.	H	α-helix	trans	-68.6	-21.1	175.7	-75.6	-163.9	-179.6	175.1	-0.8	113.6	Y595 I598 P600 V819 T820 L821 Q825 R826 M829 V830	Y595-R823 VanDerWaalsContact CE2-NH2 3.34Å; Y595-R823 VanDerWaalsContact CZ-NH2 3.31Å; Y595-R823 PolarHBondContact OH-NH2 2.78Å; I598-R823 PolarHBondContact O-NH1 2.89Å; P600-R823 HydrophobicContact CG-CB 4.41Å; V819-R823 HydrophobicContact CG1-CG 4.47Å; V819-R823 PolarHBondContact O-N 2.74Å; T820-R823 PolarHBondContact O-N 2.79Å; L821-R823 VanDerWaalsContact C-N 3.3Å; L821-R823 PolarHBondContact O-N 3.26Å; R823-Q825 VanDerWaalsContact C-N 3.32Å; R823-R826 WeakPolarHBondContact CA-O 3.31Å; R823-M829 HydrophobicContact CG-CB 4.29Å; R823-M829 PolarHBondContact NE-O 2.9Å; R823-M829 VanDerWaalsContact NE-O 3.14Å; R823-V830 PolarHBondContact NH2-O 2.98Å
824	A	96.8	Very high	96.5	Very high	18 Å²	18	28.6 Å²	28.6	15%	0.149	14%	0.142	C	C	.	.	H	α-helix	trans	-73.6	-26.3	168.6	0	0	0	0	0	112.3	P600 F604 H628 T820 L821 M822	P600-A824 HydrophobicContact CB-CB 3.84Å; F604-A824 HydrophobicContact CE1-CB 4.33Å; F604-A824 WeakPolarHBondContact CE1-O 3.43Å; F604-A824 HydrophobicContact CZ-CB 3.85Å; H628-A824 PolarHBondContact CE1-O 2.85Å; H628-A824 PolarHBondContact NE2-O 3.2Å; T820-A824 PolarHBondContact O-N 3.21Å; L821-A824 WeakPolarHBondContact O-CB 3.46Å; L821-A824 PolarHBondContact O-N 3.34Å; L821-A824 VanDerWaalsContact O-N 3.09Å; M822-A824 PolarHBondContact O-N 2.86Å
825	Q	97.9	Very high	96.5	Very high	19 Å²	19	28 Å²	28	9%	0.089	14%	0.138	C	C	.	.	H	α-helix	trans	-93.5	-33	-177.2	-60.9	-179.8	-69	0	0	113.3	S629 N648 I650 D651 L821 M822 R823	S629-Q825 PolarHBondContact OG-O 3.43Å; N648-Q825 PolarHBondContact ND2-O 3.34Å; I650-Q825 HydrophobicContact CD1-CB 3.75Å; D651-Q825 PolarHBondContact OD1-NE2 3.32Å; L821-Q825 PolarHBondContact O-N 3.29Å; M822-Q825 PolarHBondContact O-N 2.92Å; R823-Q825 VanDerWaalsContact C-N 3.32Å
826	R	98.3	Very high	96.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-147.6	145.3	175.7	-175.8	170.1	176.5	78.7	0.9	110.2	N646 N648 I650 A789 G790 V791 M822 R823 M829	N646-R826 PolarHBondContact OD1-NH1 3.37Å; N646-R826 PolarHBondContact OD1-NH2 2.98Å; N648-R826 HydrophobicContact CB-CB 3.97Å; N648-R826 HydrophobicContact CB-CG 4.31Å; N648-R826 PolarHBondContact OD1-NH1 3.2Å; I650-R826 HydrophobicContact CD1-CB 3.78Å; A789-R826 PolarHBondContact O-NH2 3.5Å; G790-R826 PolarHBondContact O-NE 2.9Å; V791-R826 HydrophobicContact CG1-CG 4.21Å; M822-R826 PolarHBondContact O-N 2.93Å; R823-R826 WeakPolarHBondContact CA-O 3.31Å; R826-M829 HydrophobicContact CB-CG 3.89Å; R826-M829 HydrophobicContact CB-SD 3.91Å; R826-M829 HydrophobicContact CG-CG 4.44Å; R826-M829 HydrophobicContact CG-SD 3.96Å; R826-M829 WeakPolarHBondContact O-CG 3.48Å
827	N	93.1	Very high	96.4	Very high	6 Å²	6	28 Å²	28	3%	0.032	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	146.3	-179	68.4	-27.6	0	0	0	112.1	N622 I624 Y626 V791 M829	N622-N827 PolarHBondContact O-ND2 2.58Å; I624-N827 PolarHBondContact O-OD1 3Å; Y626-N827 HydrophobicContact CE1-CB 4.09Å; Y626-N827 HydrophobicContact CE2-CB 4.36Å; Y626-N827 WeakPolarHBondContact OH-CB 3.33Å; V791-N827 WeakPolarHBondContact CG1-O 3.41Å; N827-M829 PolarHBondContact O-N 3.07Å
828	Y	96.3	Very high	96.5	Very high	119 Å²	119	27.9 Å²	27.9	47%	0.467	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	19.4	170.2	-46.2	-52.8	0	0	0	117.1	N622 V830 Q831	N622-Y828 WeakPolarHBondContact O-CE2 3.06Å; Y828-V830 CarbonylContact O-C 3.58Å; Y828-V830 PolarHBondContact O-N 2.92Å; Y828-Q831 WeakPolarHBondContact O-CA 3.48Å; Y828-Q831 PolarHBondContact O-N 3.18Å
829	M	97.9	Very high	96.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-53.7	127.8	174.4	-65.5	-56.2	-68.3	0	0	109.9	I650 A661 V791 T794 I798 M822 R823 R826 N827	I650-M829 HydrophobicContact CD1-CE 4.46Å; A661-M829 HydrophobicContact CB-CE 4.04Å; A661-M829 HydrophobicContact CB-SD 4.33Å; V791-M829 HydrophobicContact CB-SD 4.19Å; V791-M829 HydrophobicContact CG1-SD 4.24Å; V791-M829 WeakPolarHBondContact O-CA 3.45Å; T794-M829 HydrophobicContact CG2-CE 4.31Å; I798-M829 HydrophobicContact CD1-CE 4.11Å; M822-M829 HydrophobicContact CB-CB 3.89Å; M822-M829 HydrophobicContact CB-CG 4.1Å; M822-M829 HydrophobicContact CE-CB 4.17Å; M822-M829 HydrophobicContact CE-CE 3.35Å; M822-M829 HydrophobicContact CE-CG 4.43Å; R823-M829 HydrophobicContact CG-CB 4.29Å; R823-M829 PolarHBondContact NE-O 2.9Å; R823-M829 VanDerWaalsContact NE-O 3.14Å; R826-M829 HydrophobicContact CB-CG 3.89Å; R826-M829 HydrophobicContact CB-SD 3.91Å; R826-M829 HydrophobicContact CG-CG 4.44Å; R826-M829 HydrophobicContact CG-SD 3.96Å; R826-M829 WeakPolarHBondContact O-CG 3.48Å; N827-M829 PolarHBondContact O-N 3.07Å
830	V	97.7	Very high	96.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	57.6	89.1	-163.6	-170	0	0	0	0	110.4	Y595 V791 V799 V819 R823 Y828 Q835 Y836 I839	Y595-V830 HydrophobicContact CE2-CG1 4.42Å; Y595-V830 PolarHBondContact OH-O 3.09Å; V791-V830 PolarHBondContact O-N 2.95Å; V799-V830 HydrophobicContact CG2-CG2 4.03Å; V819-V830 HydrophobicContact CG1-CB 4.16Å; V819-V830 HydrophobicContact CG1-CG2 4.24Å; V819-V830 HydrophobicContact CG2-CB 4.5Å; V819-V830 HydrophobicContact CG2-CG2 3.89Å; R823-V830 PolarHBondContact NH2-O 2.98Å; Y828-V830 CarbonylContact O-C 3.58Å; Y828-V830 PolarHBondContact O-N 2.92Å; V830-Q835 HydrophobicContact CG1-CB 3.92Å; V830-Y836 HydrophobicContact CG1-CD2 4.26Å; V830-I839 HydrophobicContact CB-CD1 4.47Å; V830-I839 HydrophobicContact CG1-CD1 3.89Å; V830-I839 HydrophobicContact CG2-CD1 3.67Å
831	Q	93.3	Very high	96.4	Very high	89 Å²	89	28.3 Å²	28.3	42%	0.416	14%	0.14	S	C	.	.			trans	-86.2	-21.5	-161.7	-173.8	177.2	25.5	0	0	113.8	Y595 V791 Y828	Y595-Q831 PolarHBondContact OH-O 3.11Å; V791-Q831 HydrophobicContact CG2-CB 4.47Å; Y828-Q831 WeakPolarHBondContact O-CA 3.48Å; Y828-Q831 PolarHBondContact O-N 3.18Å
832	T	94.5	Very high	96.3	Very high	54 Å²	54	26.2 Å²	26.2	33%	0.331	13%	0.129	S	C	.	.	S	Bend	trans	-130	157.5	-178.9	68.5	0	0	0	0	111.4	Y595 Q835 Y836	Y595-T832 PolarHBondContact OH-N 2.75Å; T832-Q835 WeakPolarHBondContact O-CB 3.37Å; T832-Q835 PolarHBondContact O-N 3.18Å; T832-Q835 VanDerWaalsContact OG1-CG 3.27Å; T832-Q835 WeakPolarHBondContact OG1-CG 3.38Å; T832-Q835 PolarHBondContact OG1-N 2.76Å; T832-Y836 PolarHBondContact O-N 2.95Å
833	E	94.4	Very high	96.2	Very high	50 Å²	50	26.2 Å²	26.2	23%	0.234	13%	0.129	C	C	.	.	H	α-helix	trans	-60.8	-45.6	174.2	-176	-178.3	166.3	0	0	111.6	S592 Y595 Q835 Y836 V837	S592-E833 PolarHBondContact N-OE1 3.03Å; S592-E833 VanDerWaalsContact OG-CD 3.28Å; S592-E833 PolarHBondContact OG-OE1 2.77Å; S592-E833 PolarHBondContact OG-OE2 2.86Å; Y595-E833 HydrophobicContact CD1-CB 4.12Å; Y595-E833 HydrophobicContact CE1-CB 4.47Å; Y595-E833 HydrophobicContact CG-CB 4.45Å; E833-Q835 PolarHBondContact O-N 3.43Å; E833-Q835 VanDerWaalsContact O-N 3.09Å; E833-Y836 CarbonylContact O-C 3.54Å; E833-Y836 WeakPolarHBondContact O-CA 3.45Å; E833-Y836 VanDerWaalsContact O-CB 3.25Å; E833-Y836 WeakPolarHBondContact O-CB 3.42Å; E833-Y836 PolarHBondContact O-N 3.03Å; E833-V837 HydrophobicContact CG-CG2 4.37Å; E833-V837 PolarHBondContact O-N 2.9Å
834	D	93.8	Very high	96	Very high	86 Å²	86	26.2 Å²	26.2	46%	0.46	13%	0.13	S	C	.	.	H	α-helix	trans	-53.5	-36.3	176.6	-62.6	-14.3	0	0	0	112.8	V758 F838	V758-D834 HydrophobicContact CG1-CB 3.95Å; V758-D834 WeakPolarHBondContact CG1-O 3.32Å; V758-D834 HydrophobicContact CG2-CB 4.44Å; D834-F838 VanDerWaalsContact O-CB 3.3Å; D834-F838 WeakPolarHBondContact O-CB 3.46Å; D834-F838 PolarHBondContact O-N 3.38Å
835	Q	96.8	Very high	95.6	Very high	17 Å²	17	26.5 Å²	26.5	8%	0.079	13%	0.128	C	C	.	.	H	α-helix	trans	-68.6	-37.4	176	-79.3	169.4	15.2	0	0	111.7	W753 V758 C796 V830 T832 E833 F838 I839	W753-Q835 HydrophobicContact CZ2-CG 4.34Å; V758-Q835 HydrophobicContact CG1-CG 4.02Å; C796-Q835 WeakPolarHBondContact SG-CB 3.25Å; V830-Q835 HydrophobicContact CG1-CB 3.92Å; T832-Q835 WeakPolarHBondContact O-CB 3.37Å; T832-Q835 PolarHBondContact O-N 3.18Å; T832-Q835 VanDerWaalsContact OG1-CG 3.27Å; T832-Q835 WeakPolarHBondContact OG1-CG 3.38Å; T832-Q835 PolarHBondContact OG1-N 2.76Å; E833-Q835 PolarHBondContact O-N 3.43Å; E833-Q835 VanDerWaalsContact O-N 3.09Å; Q835-F838 PolarHBondContact O-N 3.25Å; Q835-I839 WeakPolarHBondContact O-CD1 3.24Å; Q835-I839 VanDerWaalsContact O-CG1 3.28Å; Q835-I839 WeakPolarHBondContact O-CG1 3.28Å; Q835-I839 PolarHBondContact O-N 3.16Å
836	Y	97.9	Very high	95.3	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.2	-43.6	175.5	-168.1	-105.4	0	0	0	111.5	F591 E594 Y595 I598 I815 Y816 V819 V830 T832 E833 I839 H840	F591-Y836 AromaticContact CD1-CD1 3.99Å; F591-Y836 HydrophobicContact CD1-CD1 3.99Å; F591-Y836 HydrophobicContact CD1-CE1 4.18Å; F591-Y836 HydrophobicContact CE1-CD1 4.3Å; F591-Y836 HydrophobicContact CE1-CE1 4.38Å; E594-Y836 HydrophobicContact CG-CE1 4.28Å; E594-Y836 WeakPolarHBondContact OE1-CE1 3.43Å; E594-Y836 PolarHBondContact OE1-OH 3.4Å; Y595-Y836 HydrophobicContact CD2-CD1 4.25Å; Y595-Y836 HydrophobicContact CD2-CD2 4.02Å; Y595-Y836 AromaticContact CD2-CG 3.73Å; Y595-Y836 HydrophobicContact CD2-CG 3.73Å; Y595-Y836 HydrophobicContact CE2-CG 4.49Å; I598-Y836 HydrophobicContact CD1-CD2 4.21Å; I598-Y836 HydrophobicContact CD1-CE2 3.79Å; I815-Y836 HydrophobicContact CG2-CD2 4.31Å; I815-Y836 HydrophobicContact CG2-CE2 3.7Å; Y816-Y836 WeakPolarHBondContact CA-OH 3.5Å; Y816-Y836 WeakPolarHBondContact CB-OH 3.49Å; Y816-Y836 PolarHBondContact N-OH 3.26Å; V819-Y836 HydrophobicContact CB-CE2 4.45Å; V819-Y836 HydrophobicContact CG2-CD2 4.31Å; V819-Y836 HydrophobicContact CG2-CE2 4.06Å; V830-Y836 HydrophobicContact CG1-CD2 4.26Å; T832-Y836 PolarHBondContact O-N 2.95Å; E833-Y836 CarbonylContact O-C 3.54Å; E833-Y836 WeakPolarHBondContact O-CA 3.45Å; E833-Y836 VanDerWaalsContact O-CB 3.25Å; E833-Y836 WeakPolarHBondContact O-CB 3.42Å; E833-Y836 PolarHBondContact O-N 3.03Å; Y836-I839 PolarHBondContact O-N 3.12Å; Y836-H840 AromaticContact CD1-CE1 3.89Å; Y836-H840 AromaticContact CE1-CE1 3.42Å; Y836-H840 VanDerWaalsContact CE1-CE1 3.42Å; Y836-H840 WeakPolarHBondContact CE1-CE1 3.42Å; Y836-H840 AromaticContact CZ-CE1 3.61Å; Y836-H840 PolarHBondContact O-N 3.06Å; Y836-H840 PolarHBondContact O-ND1 3.44Å
837	V	96.3	Very high	95	Very high	13 Å²	13	28 Å²	28	8%	0.079	14%	0.14	C	C	.	.	H	α-helix	trans	-61.7	-44.2	172.7	178.8	0	0	0	0	110.9	F591 E833 I839 H840 D841	F591-V837 HydrophobicContact CB-CG2 4.24Å; F591-V837 HydrophobicContact CD1-CG2 3.98Å; F591-V837 HydrophobicContact CD2-CG2 3.84Å; F591-V837 HydrophobicContact CE1-CG2 4.29Å; F591-V837 HydrophobicContact CE2-CG1 4.17Å; F591-V837 HydrophobicContact CE2-CG2 4.14Å; F591-V837 HydrophobicContact CG-CG2 3.77Å; F591-V837 HydrophobicContact CZ-CG1 4.44Å; F591-V837 HydrophobicContact CZ-CG2 4.38Å; E833-V837 HydrophobicContact CG-CG2 4.37Å; E833-V837 PolarHBondContact O-N 2.9Å; V837-I839 VanDerWaalsContact C-N 3.27Å; V837-I839 PolarHBondContact O-N 3.29Å; V837-H840 WeakPolarHBondContact O-CB 3.27Å; V837-H840 PolarHBondContact O-N 3.48Å; V837-D841 PolarHBondContact O-N 3.49Å
838	F	96.8	Very high	94.7	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.018	16%	0.162	C	C	.	.	H	α-helix	trans	-59.7	-35.5	178.3	-180	-101.1	0	0	0	113.3	W753 V758 P759 P762 F765 I800 D834 Q835 H840 D841 A842	W753-F838 HydrophobicContact CH2-CD1 4.05Å; W753-F838 HydrophobicContact CH2-CE1 4.07Å; W753-F838 HydrophobicContact CZ3-CE1 4.13Å; V758-F838 HydrophobicContact CB-CB 3.95Å; V758-F838 HydrophobicContact CB-CD2 4Å; V758-F838 HydrophobicContact CB-CG 4.03Å; V758-F838 HydrophobicContact CG1-CB 3.92Å; V758-F838 HydrophobicContact CG1-CG 4.36Å; V758-F838 HydrophobicContact CG2-CB 4.06Å; V758-F838 HydrophobicContact CG2-CD2 4.15Å; V758-F838 HydrophobicContact CG2-CG 4.4Å; P759-F838 HydrophobicContact CB-CE2 3.86Å; P759-F838 HydrophobicContact CB-CZ 4.18Å; P759-F838 HydrophobicContact CG-CE2 4Å; P759-F838 HydrophobicContact CG-CZ 3.92Å; P762-F838 HydrophobicContact CB-CE2 4.17Å; P762-F838 HydrophobicContact CB-CZ 4.29Å; P762-F838 HydrophobicContact CG-CE2 4.16Å; F765-F838 HydrophobicContact CB-CE1 4.49Å; F765-F838 HydrophobicContact CB-CZ 4.02Å; F765-F838 HydrophobicContact CD1-CE1 4.24Å; F765-F838 HydrophobicContact CD1-CZ 4.5Å; F765-F838 HydrophobicContact CD2-CE1 4.3Å; F765-F838 HydrophobicContact CG-CE1 4.1Å; F765-F838 HydrophobicContact CG-CZ 4.12Å; I800-F838 HydrophobicContact CD1-CD1 4.22Å; I800-F838 HydrophobicContact CD1-CE1 4.05Å; D834-F838 VanDerWaalsContact O-CB 3.3Å; D834-F838 WeakPolarHBondContact O-CB 3.46Å; D834-F838 PolarHBondContact O-N 3.38Å; Q835-F838 PolarHBondContact O-N 3.25Å; F838-H840 VanDerWaalsContact C-N 3.33Å; F838-D841 PolarHBondContact O-N 3.07Å; F838-A842 VanDerWaalsContact O-CB 3.3Å; F838-A842 WeakPolarHBondContact O-CB 3.36Å; F838-A842 PolarHBondContact O-N 3.38Å
839	I	98.3	Very high	94.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.6	-43.7	175.1	-68.4	161	0	0	0	110.7	C796 V799 I800 I815 V830 Q835 Y836 V837 A842 L843	C796-I839 HydrophobicContact CB-CD1 4.49Å; C796-I839 HydrophobicContact CB-CG1 4.22Å; V799-I839 HydrophobicContact CB-CD1 4.04Å; V799-I839 HydrophobicContact CB-CG2 4.29Å; V799-I839 HydrophobicContact CG1-CD1 4.22Å; V799-I839 HydrophobicContact CG1-CG2 3.63Å; V799-I839 HydrophobicContact CG2-CD1 4.23Å; I800-I839 HydrophobicContact CD1-CG1 4.14Å; I800-I839 HydrophobicContact CG1-CB 4.17Å; I800-I839 HydrophobicContact CG1-CG1 3.98Å; I800-I839 HydrophobicContact CG1-CG2 3.94Å; I815-I839 HydrophobicContact CD1-CG2 4.26Å; I815-I839 HydrophobicContact CG1-CG2 4.13Å; I815-I839 HydrophobicContact CG2-CB 4.48Å; I815-I839 HydrophobicContact CG2-CG2 3.71Å; V830-I839 HydrophobicContact CB-CD1 4.47Å; V830-I839 HydrophobicContact CG1-CD1 3.89Å; V830-I839 HydrophobicContact CG2-CD1 3.67Å; Q835-I839 WeakPolarHBondContact O-CD1 3.24Å; Q835-I839 VanDerWaalsContact O-CG1 3.28Å; Q835-I839 WeakPolarHBondContact O-CG1 3.28Å; Q835-I839 PolarHBondContact O-N 3.16Å; Y836-I839 PolarHBondContact O-N 3.12Å; V837-I839 VanDerWaalsContact C-N 3.27Å; V837-I839 PolarHBondContact O-N 3.29Å; I839-A842 PolarHBondContact O-N 3.41Å; I839-L843 HydrophobicContact CG2-CD1 3.89Å; I839-L843 WeakPolarHBondContact O-CG 3.31Å; I839-L843 PolarHBondContact O-N 3.14Å
840	H	97.7	Very high	93.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.2	-47.4	177.1	-71.6	74.5	0	0	0	111.2	V580 F591 I815 Y836 V837 F838 A842 L843 Q844	V580-H840 HydrophobicContact CG2-CB 3.93Å; F591-H840 HydrophobicContact CE1-CB 4.31Å; F591-H840 AromaticContact CE1-CD2 3.89Å; F591-H840 AromaticContact CE1-CE1 3.77Å; F591-H840 AromaticContact CE1-CG 3.68Å; F591-H840 AromaticContact CE1-ND1 3.59Å; F591-H840 AromaticContact CE1-NE2 3.97Å; F591-H840 HydrophobicContact CZ-CB 3.99Å; F591-H840 AromaticContact CZ-CG 3.81Å; I815-H840 HydrophobicContact CD1-CB 4.43Å; I815-H840 WeakPolarHBondContact CD1-CD2 3.27Å; I815-H840 VanDerWaalsContact CD1-NE2 3.32Å; I815-H840 WeakPolarHBondContact CD1-NE2 3.26Å; Y836-H840 AromaticContact CD1-CE1 3.89Å; Y836-H840 AromaticContact CE1-CE1 3.42Å; Y836-H840 VanDerWaalsContact CE1-CE1 3.42Å; Y836-H840 WeakPolarHBondContact CE1-CE1 3.42Å; Y836-H840 AromaticContact CZ-CE1 3.61Å; Y836-H840 PolarHBondContact O-N 3.06Å; Y836-H840 PolarHBondContact O-ND1 3.44Å; V837-H840 WeakPolarHBondContact O-CB 3.27Å; V837-H840 PolarHBondContact O-N 3.48Å; F838-H840 VanDerWaalsContact C-N 3.33Å; H840-A842 VanDerWaalsContact C-N 3.31Å; H840-A842 PolarHBondContact O-N 3.37Å; H840-L843 PolarHBondContact O-N 2.93Å; H840-Q844 WeakPolarHBondContact O-CB 3.48Å; H840-Q844 PolarHBondContact O-N 2.82Å
841	D	93.9	Very high	92.7	Very high	39 Å²	39	33.8 Å²	33.8	21%	0.209	19%	0.19	C	C	.	.	H	α-helix	trans	-61.1	-40.5	178.8	-71.9	-12.7	0	0	0	111.8	K584 P762 V837 F838 E845	K584-D841 WeakPolarHBondContact CE-OD1 3.24Å; K584-D841 IonicContact NZ-OD1 3.51Å; K584-D841 PolarHBondContact NZ-OD1 2.76Å; K584-D841 IonicContact NZ-OD2 2.92Å; K584-D841 PolarHBondContact NZ-OD2 2.81Å; P762-D841 HydrophobicContact CG-CB 4.04Å; V837-D841 PolarHBondContact O-N 3.49Å; F838-D841 PolarHBondContact O-N 3.07Å; D841-E845 VanDerWaalsContact O-CB 3.27Å; D841-E845 WeakPolarHBondContact O-CB 3.42Å; D841-E845 PolarHBondContact O-N 2.7Å
842	A	95.3	Very high	92.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.5	-41.5	176.4	0	0	0	0	0	112.7	P762 L766 I800 F838 I839 H840 A846	P762-A842 HydrophobicContact CB-CB 3.77Å; P762-A842 HydrophobicContact CG-CB 4.29Å; L766-A842 HydrophobicContact CD2-CB 4.28Å; I800-A842 HydrophobicContact CD1-CB 3.66Å; I800-A842 HydrophobicContact CG1-CB 4.13Å; I800-A842 HydrophobicContact CG2-CB 4.31Å; F838-A842 VanDerWaalsContact O-CB 3.3Å; F838-A842 WeakPolarHBondContact O-CB 3.36Å; F838-A842 PolarHBondContact O-N 3.38Å; I839-A842 PolarHBondContact O-N 3.41Å; H840-A842 VanDerWaalsContact C-N 3.31Å; H840-A842 PolarHBondContact O-N 3.37Å; A842-A846 WeakPolarHBondContact O-CB 3.46Å; A842-A846 PolarHBondContact O-N 2.87Å
843	L	96.3	Very high	92.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-72.9	-41.9	179.4	-69.7	167	0	0	0	111.8	L576 I800 M803 L804 I807 V813 I815 I839 H840 E845 A846 V847	L576-L843 HydrophobicContact CD2-CB 4.36Å; I800-L843 HydrophobicContact CG2-CD2 4.37Å; M803-L843 HydrophobicContact CB-CD1 3.54Å; M803-L843 HydrophobicContact CB-CD2 3.55Å; M803-L843 HydrophobicContact CB-CG 4.21Å; M803-L843 HydrophobicContact CG-CD1 3.85Å; L804-L843 HydrophobicContact CD2-CD2 3.93Å; L804-L843 HydrophobicContact CG-CD2 3.95Å; I807-L843 HydrophobicContact CD1-CD2 4.01Å; V813-L843 HydrophobicContact CG1-CD1 4.45Å; I815-L843 HydrophobicContact CD1-CD1 3.54Å; I815-L843 HydrophobicContact CG1-CD1 3.62Å; I839-L843 HydrophobicContact CG2-CD1 3.89Å; I839-L843 WeakPolarHBondContact O-CG 3.31Å; I839-L843 PolarHBondContact O-N 3.14Å; H840-L843 PolarHBondContact O-N 2.93Å; L843-E845 VanDerWaalsContact C-N 3.31Å; L843-E845 PolarHBondContact O-N 3.03Å; L843-A846 PolarHBondContact O-N 3.46Å; L843-V847 VanDerWaalsContact O-CG2 3.32Å; L843-V847 WeakPolarHBondContact O-CG2 3.47Å; L843-V847 PolarHBondContact O-N 3.4Å
844	Q	92.6	Very high	92.1	Very high	37 Å²	37	28.8 Å²	28.8	17%	0.173	17%	0.165	C	C	.	.	H	α-helix	trans	-58.3	-45.8	173.3	-171.7	-171.8	23.1	0	0	110.6	L576 A577 H840 A846 V847 N848	L576-Q844 HydrophobicContact CD2-CB 4.34Å; L576-Q844 HydrophobicContact CG-CB 4.4Å; A577-Q844 VanDerWaalsContact CA-NE2 3.28Å; H840-Q844 WeakPolarHBondContact O-CB 3.48Å; H840-Q844 PolarHBondContact O-N 2.82Å; Q844-A846 PolarHBondContact O-N 3.4Å; Q844-V847 PolarHBondContact O-N 2.78Å; Q844-N848 WeakPolarHBondContact O-CB 3.16Å; Q844-N848 PolarHBondContact O-N 3.44Å
845	E	89.5	Confident	91.9	Very high	24 Å²	24	26.8 Å²	26.8	11%	0.112	16%	0.156	C	C	.	.	H	α-helix	trans	-61.8	-45.3	176.2	175.9	158.1	127.2	0	0	112.2	T763 L766 D841 L843 V847 N848 C849 K1111	T763-E845 WeakPolarHBondContact CA-OE1 3.3Å; T763-E845 VanDerWaalsContact CB-OE1 3.3Å; T763-E845 WeakPolarHBondContact CB-OE1 3.37Å; T763-E845 PolarHBondContact N-OE1 3.23Å; T763-E845 VanDerWaalsContact N-OE1 3.1Å; T763-E845 PolarHBondContact OG1-OE1 2.71Å; L766-E845 HydrophobicContact CD1-CB 4.14Å; L766-E845 HydrophobicContact CD1-CG 3.86Å; D841-E845 VanDerWaalsContact O-CB 3.27Å; D841-E845 WeakPolarHBondContact O-CB 3.42Å; D841-E845 PolarHBondContact O-N 2.7Å; L843-E845 VanDerWaalsContact C-N 3.31Å; L843-E845 PolarHBondContact O-N 3.03Å; E845-V847 VanDerWaalsContact C-N 3.32Å; E845-V847 PolarHBondContact O-N 3.42Å; E845-N848 PolarHBondContact O-N 3.35Å; E845-C849 VanDerWaalsContact O-CB 3.27Å; E845-C849 WeakPolarHBondContact O-CB 3.31Å; E845-C849 PolarHBondContact O-N 3.49Å; E845-C849 PolarHBondContact O-SG 3.19Å; E845-K1111 WeakPolarHBondContact OE1-CE 3.47Å; E845-K1111 IonicContact OE1-NZ 2.64Å; E845-K1111 WeakPolarHBondContact OE2-CE 3.31Å; E845-K1111 IonicContact OE2-NZ 3.46Å; E845-K1111 PolarHBondContact OE2-NZ 3.45Å
846	A	91.1	Very high	91.5	Very high	9 Å²	9	26.5 Å²	26.5	7%	0.074	16%	0.157	C	C	.	.	H	α-helix	trans	-63.3	-38.2	179.6	0	0	0	0	0	112.6	L766 L804 A842 L843 Q844 G850	L766-A846 HydrophobicContact CD1-CB 4.11Å; L766-A846 HydrophobicContact CD2-CB 4.16Å; L804-A846 HydrophobicContact CD2-CB 3.42Å; L804-A846 VanDerWaalsContact CD2-CB 3.42Å; A842-A846 WeakPolarHBondContact O-CB 3.46Å; A842-A846 PolarHBondContact O-N 2.87Å; L843-A846 PolarHBondContact O-N 3.46Å; Q844-A846 PolarHBondContact O-N 3.4Å; A846-G850 WeakPolarHBondContact O-CA 3.46Å; A846-G850 PolarHBondContact O-N 2.87Å
847	V	90.9	Very high	91.1	Very high	42 Å²	42	36.5 Å²	36.5	26%	0.255	20%	0.195	S	C	.	.	H	α-helix	trans	-65.6	-48.5	174.3	169.9	0	0	0	0	110.6	I573 L576 I807 L843 Q844 E845 C849	I573-V847 HydrophobicContact CB-CG1 4.1Å; I573-V847 HydrophobicContact CB-CG2 4.2Å; I573-V847 HydrophobicContact CG2-CG2 4Å; L576-V847 HydrophobicContact CD2-CG2 4.08Å; I807-V847 HydrophobicContact CD1-CG2 3.87Å; L843-V847 VanDerWaalsContact O-CG2 3.32Å; L843-V847 WeakPolarHBondContact O-CG2 3.47Å; L843-V847 PolarHBondContact O-N 3.4Å; Q844-V847 PolarHBondContact O-N 2.78Å; E845-V847 VanDerWaalsContact C-N 3.32Å; E845-V847 PolarHBondContact O-N 3.42Å; V847-C849 VanDerWaalsContact C-N 3.35Å; V847-C849 PolarHBondContact O-N 3.16Å
848	N	86.9	Confident	90.9	Very high	91 Å²	91	39.6 Å²	39.6	49%	0.487	21%	0.211	S	C	.	.	H	α-helix	trans	-65.6	-36.5	-177.6	-72	-8.5	0	0	0	113	Q844 E845	Q844-N848 WeakPolarHBondContact O-CB 3.16Å; Q844-N848 PolarHBondContact O-N 3.44Å; E845-N848 PolarHBondContact O-N 3.35Å
849	C	85.1	Confident	90.7	Very high	7 Å²	7	39.5 Å²	39.5	5%	0.047	21%	0.21	C	C	.	.	H	α-helix	trans	-89	-31.1	-175.9	-61.2	0	0	0	0	113.1	E845 V847 F1107 K1111	E845-C849 VanDerWaalsContact O-CB 3.27Å; E845-C849 WeakPolarHBondContact O-CB 3.31Å; E845-C849 PolarHBondContact O-N 3.49Å; E845-C849 PolarHBondContact O-SG 3.19Å; V847-C849 VanDerWaalsContact C-N 3.35Å; V847-C849 PolarHBondContact O-N 3.16Å; C849-F1107 HydrophobicContact CB-CE1 3.65Å; C849-F1107 HydrophobicContact CB-CZ 4.24Å; C849-K1111 VanDerWaalsContact SG-CE 3.53Å; C849-K1111 PolarHBondContact SG-NZ 3.21Å
850	G	83.5	Confident	90.4	Very high	29 Å²	29	46.2 Å²	46.2	30%	0.299	24%	0.236	S	C	.	.			trans	63.8	-156.2	-171.7	0	0	0	0	0	113.5	R770 A846	R770-G850 PolarHBondContact NH2-O 3.23Å; A846-G850 WeakPolarHBondContact O-CA 3.46Å; A846-G850 PolarHBondContact O-N 2.87Å
851	T	82.5	Confident	90.2	Very high	118 Å²	118	49.2 Å²	49.2	72%	0.724	26%	0.262	S	S	*	.			trans	-105.8	113.3	178.1	-54	0	0	0	0	109.6
852	T	89.7	Confident	90.2	Very high	8 Å²	8	49.5 Å²	49.5	5%	0.049	26%	0.26	C	S	.	.			trans	-116.9	-2	-176.3	52.9	0	0	0	0	113.2	D1105 F1107	T852-D1105 WeakPolarHBondContact CB-OD1 3.35Å; T852-D1105 PolarHBondContact OG1-OD1 3.3Å; T852-D1105 PolarHBondContact OG1-OD2 3.19Å; T852-F1107 HydrophobicContact CG2-CB 3.84Å; T852-F1107 HydrophobicContact CG2-CD1 3.78Å; T852-F1107 HydrophobicContact CG2-CG 3.82Å
853	E	88.9	Confident	90.1	Very high	69 Å²	69	50.5 Å²	50.5	32%	0.322	27%	0.265	S	S	.	.			trans	-77.3	133.5	175.1	-174.4	175	109.7	0	0	110.6	R1097 V1103 D1105	E853-R1097 IonicContact OE2-CZ 2.9Å; E853-R1097 IonicContact OE2-NH1 2.75Å; E853-R1097 IonicContact OE2-NH2 3.84Å; E853-R1097 PolarHBondContact OE2-NH2 3Å; E853-V1103 HydrophobicContact CG-CB 4.1Å; E853-V1103 HydrophobicContact CG-CG2 4.28Å; E853-D1105 HydrophobicContact CB-CB 4.14Å; E853-D1105 HydrophobicContact CG-CB 4.34Å; E853-D1105 PolarHBondContact N-OD2 3.43Å
854	V	90.5	Very high	90	Very high	12 Å²	12	54.4 Å²	54.4	7%	0.073	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	131.1	-175.3	-172.7	0	0	0	0	109.6	A856 N858 Y862 V1103 V1104	V854-A856 PolarHBondContact O-N 3.05Å; V854-N858 HydrophobicContact CG1-CB 3.91Å; V854-Y862 HydrophobicContact CB-CG 4.47Å; V854-Y862 HydrophobicContact CG1-CG 4.2Å; V854-Y862 HydrophobicContact CG2-CD1 3.68Å; V854-Y862 HydrophobicContact CG2-CD2 3.6Å; V854-Y862 HydrophobicContact CG2-CE1 3.88Å; V854-Y862 HydrophobicContact CG2-CE2 3.82Å; V854-Y862 HydrophobicContact CG2-CG 3.54Å; V854-V1103 CarbonylContact O-C 3.58Å; V854-V1103 WeakPolarHBondContact O-CA 3.29Å; V854-V1104 PolarHBondContact N-O 3.2Å; V854-V1104 PolarHBondContact O-N 3.26Å
855	P	88.9	Confident	90	Very high	44 Å²	44	58.4 Å²	58.4	29%	0.286	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	137.6	168.2	-23.4	33.9	0	0	0	110.9	R857 N858 L859	P855-R857 HydrophobicContact CB-CG 4.06Å; P855-R857 PolarHBondContact O-N 2.78Å; P855-R857 VanDerWaalsContact O-N 3.13Å; P855-N858 WeakPolarHBondContact O-CA 3.48Å; P855-N858 PolarHBondContact O-N 3.41Å; P855-L859 PolarHBondContact O-N 3.49Å
856	A	89.8	Confident	90.1	Very high	10 Å²	10	57.8 Å²	57.8	8%	0.083	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-52.1	-42.9	-175.2	0	0	0	0	0	112.4	V854 N858 L859 M1098 G1102 L1138	V854-A856 PolarHBondContact O-N 3.05Å; A856-N858 PolarHBondContact O-N 2.97Å; A856-L859 WeakPolarHBondContact O-CB 3.42Å; A856-L859 PolarHBondContact O-N 2.99Å; A856-M1098 HydrophobicContact CB-CG 4.1Å; A856-G1102 WeakPolarHBondContact CB-O 3.2Å; A856-G1102 PolarHBondContact N-O 3.34Å; A856-L1138 HydrophobicContact CB-CD1 4.02Å; A856-L1138 HydrophobicContact CB-CD2 4.44Å; A856-L1138 WeakPolarHBondContact O-CD2 3.27Å
857	R	87.9	Confident	90.1	Very high	211 Å²	211	61 Å²	61	80%	0.796	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-54.7	-25.3	174.8	61.1	171	-178.9	-109.3	0.7	115.4	P855	P855-R857 HydrophobicContact CB-CG 4.06Å; P855-R857 PolarHBondContact O-N 2.78Å; P855-R857 VanDerWaalsContact O-N 3.13Å
858	N	92.3	Very high	90.1	Very high	78 Å²	78	64.6 Å²	64.6	42%	0.417	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-102	0.8	-178.1	-68.5	-5.7	0	0	0	112.5	V854 P855 A856 Y860 A861 Y862	V854-N858 HydrophobicContact CG1-CB 3.91Å; P855-N858 WeakPolarHBondContact O-CA 3.48Å; P855-N858 PolarHBondContact O-N 3.41Å; A856-N858 PolarHBondContact O-N 2.97Å; N858-Y860 VanDerWaalsContact C-N 3.33Å; N858-Y860 PolarHBondContact O-N 3.22Å; N858-A861 PolarHBondContact O-N 3.44Å; N858-Y862 PolarHBondContact O-N 2.98Å
859	L	92.3	Very high	90.1	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-59.4	-42.4	-174.7	-178.2	62.7	0	0	0	112.2	P855 A856 Y862 I863 M1098 V1104 Y1131 L1135 L1138	P855-L859 PolarHBondContact O-N 3.49Å; A856-L859 WeakPolarHBondContact O-CB 3.42Å; A856-L859 PolarHBondContact O-N 2.99Å; L859-Y862 PolarHBondContact O-N 3.02Å; L859-I863 HydrophobicContact CD1-CD1 4.09Å; L859-I863 HydrophobicContact CD1-CG1 4.31Å; L859-I863 HydrophobicContact CG-CD1 3.91Å; L859-I863 WeakPolarHBondContact O-CG1 3.4Å; L859-I863 PolarHBondContact O-N 3.04Å; L859-M1098 HydrophobicContact CD2-CE 4.18Å; L859-V1104 HydrophobicContact CD1-CB 4.31Å; L859-V1104 HydrophobicContact CD1-CG1 4.07Å; L859-V1104 HydrophobicContact CD2-CG2 4.27Å; L859-Y1131 HydrophobicContact CD1-CD1 4.26Å; L859-Y1131 HydrophobicContact CD1-CE1 4.47Å; L859-L1135 HydrophobicContact CD2-CB 4.35Å; L859-L1138 HydrophobicContact CB-CD2 4.28Å; L859-L1138 HydrophobicContact CD2-CD2 4.43Å
860	Y	93.2	Very high	89.7	Confident	141 Å²	141	69.6 Å²	69.6	55%	0.553	35%	0.353	S	S	*	.	H	α-helix	trans	-59.1	-50	177.7	179.7	-97.6	0	0	0	112.1	N858 Y862 I863 Q864 L1135	N858-Y860 VanDerWaalsContact C-N 3.33Å; N858-Y860 PolarHBondContact O-N 3.22Å; Y860-Y862 VanDerWaalsContact C-N 3.29Å; Y860-Y862 PolarHBondContact O-N 3.12Å; Y860-I863 PolarHBondContact O-N 2.86Å; Y860-Q864 HydrophobicContact CD1-CG 4.29Å; Y860-Q864 HydrophobicContact CE1-CG 3.89Å; Y860-Q864 WeakPolarHBondContact O-CG 3.42Å; Y860-Q864 PolarHBondContact O-N 2.99Å; Y860-L1135 HydrophobicContact CD2-CD1 4.22Å; Y860-L1135 HydrophobicContact CD2-CD2 3.97Å
861	A	93.6	Very high	88.8	Confident	64 Å²	64	72.5 Å²	72.5	53%	0.529	38%	0.383	S	S	.	.	H	α-helix	trans	-63.7	-36	179	0	0	0	0	0	111.9	N858 Q864 K865	N858-A861 PolarHBondContact O-N 3.44Å; A861-Q864 PolarHBondContact O-N 3.26Å; A861-K865 PolarHBondContact O-N 3.28Å
862	Y	93.6	Very high	88.2	Confident	44 Å²	44	71 Å²	71	17%	0.173	39%	0.39	C	S	.	.	H	α-helix	trans	-65.6	-45.1	175.5	-174.4	-104.3	0	0	0	112.2	V854 N858 L859 Y860 Q864 K865 L866 E881 Y1131	V854-Y862 HydrophobicContact CB-CG 4.47Å; V854-Y862 HydrophobicContact CG1-CG 4.2Å; V854-Y862 HydrophobicContact CG2-CD1 3.68Å; V854-Y862 HydrophobicContact CG2-CD2 3.6Å; V854-Y862 HydrophobicContact CG2-CE1 3.88Å; V854-Y862 HydrophobicContact CG2-CE2 3.82Å; V854-Y862 HydrophobicContact CG2-CG 3.54Å; N858-Y862 PolarHBondContact O-N 2.98Å; L859-Y862 PolarHBondContact O-N 3.02Å; Y860-Y862 VanDerWaalsContact C-N 3.29Å; Y860-Y862 PolarHBondContact O-N 3.12Å; Y862-Q864 VanDerWaalsContact C-N 3.33Å; Y862-Q864 PolarHBondContact O-N 3.4Å; Y862-K865 WeakPolarHBondContact O-CB 3.3Å; Y862-K865 PolarHBondContact O-N 2.89Å; Y862-L866 HydrophobicContact CD1-CD1 3.84Å; Y862-L866 HydrophobicContact CD1-CG 4.2Å; Y862-L866 HydrophobicContact CE1-CD1 3.36Å; Y862-L866 HydrophobicContact CE1-CD2 4.38Å; Y862-L866 HydrophobicContact CE1-CG 3.88Å; Y862-L866 PolarHBondContact O-N 2.95Å; Y862-E881 PolarHBondContact OH-OE2 2.94Å; Y862-Y1131 HydrophobicContact CD1-CE1 4.12Å; Y862-Y1131 AromaticContact CE1-CE1 3.97Å; Y862-Y1131 HydrophobicContact CE1-CE1 3.97Å
863	I	93.9	Very high	87.1	Confident	22 Å²	22	75.4 Å²	75.4	11%	0.113	41%	0.411	C	S	.	.	H	α-helix	trans	-61.5	-43.2	175.9	-67.5	167.1	0	0	0	110.5	L859 Y860 K865 L866 T867 Y1131 L1135	L859-I863 HydrophobicContact CD1-CD1 4.09Å; L859-I863 HydrophobicContact CD1-CG1 4.31Å; L859-I863 HydrophobicContact CG-CD1 3.91Å; L859-I863 WeakPolarHBondContact O-CG1 3.4Å; L859-I863 PolarHBondContact O-N 3.04Å; Y860-I863 PolarHBondContact O-N 2.86Å; I863-K865 VanDerWaalsContact C-N 3.3Å; I863-K865 PolarHBondContact O-N 3.36Å; I863-L866 PolarHBondContact O-N 2.86Å; I863-L866 VanDerWaalsContact O-N 3.11Å; I863-T867 HydrophobicContact CG2-CG2 4.47Å; I863-T867 WeakPolarHBondContact O-CG2 3.32Å; I863-T867 PolarHBondContact O-N 3.3Å; I863-T867 PolarHBondContact O-OG1 3.18Å; I863-Y1131 HydrophobicContact CD1-CD1 4.2Å; I863-Y1131 HydrophobicContact CG1-CD1 3.86Å; I863-Y1131 HydrophobicContact CG1-CG 4.36Å; I863-L1135 HydrophobicContact CD1-CB 3.86Å; I863-L1135 HydrophobicContact CD1-CD2 4.02Å; I863-L1135 HydrophobicContact CD1-CG 4.36Å
864	Q	93.8	Very high	86.9	Confident	81 Å²	81	80.2 Å²	80.2	38%	0.379	44%	0.438	S	S	.	.	H	α-helix	trans	-56.9	-43.6	174.9	-73.6	-67.4	-39.2	0	0	111.9	Y860 A861 Y862 T867 Q868	Y860-Q864 HydrophobicContact CD1-CG 4.29Å; Y860-Q864 HydrophobicContact CE1-CG 3.89Å; Y860-Q864 WeakPolarHBondContact O-CG 3.42Å; Y860-Q864 PolarHBondContact O-N 2.99Å; A861-Q864 PolarHBondContact O-N 3.26Å; Y862-Q864 VanDerWaalsContact C-N 3.33Å; Y862-Q864 PolarHBondContact O-N 3.4Å; Q864-T867 WeakPolarHBondContact CA-OG1 3.02Å; Q864-T867 PolarHBondContact O-N 2.96Å; Q864-T867 PolarHBondContact O-OG1 3.28Å; Q864-Q868 WeakPolarHBondContact O-CG 3.14Å; Q864-Q868 PolarHBondContact O-N 3.08Å
865	K	92.3	Very high	86.8	Confident	121 Å²	121	80.7 Å²	80.7	53%	0.526	44%	0.441	S	S	.	.	H	α-helix	trans	-61.4	-45.1	174.1	-177	-174.6	174.6	-170.8	0	111.7	A861 Y862 I863 T867 Q868	A861-K865 PolarHBondContact O-N 3.28Å; Y862-K865 WeakPolarHBondContact O-CB 3.3Å; Y862-K865 PolarHBondContact O-N 2.89Å; I863-K865 VanDerWaalsContact C-N 3.3Å; I863-K865 PolarHBondContact O-N 3.36Å; K865-T867 VanDerWaalsContact C-N 3.26Å; K865-T867 PolarHBondContact O-N 3.24Å; K865-Q868 WeakPolarHBondContact O-CB 3.26Å; K865-Q868 PolarHBondContact O-N 3Å; K865-Q868 VanDerWaalsContact O-N 3.16Å
866	L	91.7	Very high	87	Confident	12 Å²	12	80.3 Å²	80.3	6%	0.063	44%	0.438	C	S	.	.	H	α-helix	trans	-65.7	-27.9	179.6	-71.1	-175.8	0	0	0	113.2	Y862 I863 Q868 T876 G877 M878 Y1131	Y862-L866 HydrophobicContact CD1-CD1 3.84Å; Y862-L866 HydrophobicContact CD1-CG 4.2Å; Y862-L866 HydrophobicContact CE1-CD1 3.36Å; Y862-L866 HydrophobicContact CE1-CD2 4.38Å; Y862-L866 HydrophobicContact CE1-CG 3.88Å; Y862-L866 PolarHBondContact O-N 2.95Å; I863-L866 PolarHBondContact O-N 2.86Å; I863-L866 VanDerWaalsContact O-N 3.11Å; L866-Q868 VanDerWaalsContact C-N 3.29Å; L866-T876 WeakPolarHBondContact O-CB 3.44Å; L866-G877 CarbonylContact O-C 3.59Å; L866-G877 WeakPolarHBondContact O-CA 3.37Å; L866-G877 PolarHBondContact O-N 2.98Å; L866-M878 HydrophobicContact CB-CB 4.11Å; L866-M878 HydrophobicContact CB-CE 3.85Å; L866-M878 HydrophobicContact CD1-CE 3.64Å; L866-M878 HydrophobicContact CD1-SD 4.08Å; L866-M878 HydrophobicContact CG-CE 4.44Å; L866-M878 PolarHBondContact O-N 3.15Å; L866-Y1131 HydrophobicContact CD1-CE1 4.25Å; L866-Y1131 HydrophobicContact CD1-CE2 4.07Å
867	T	91.6	Very high	87	Confident	76 Å²	76	80 Å²	80	47%	0.466	44%	0.436	S	S	.	.	H	α-helix	trans	-77.6	-12.9	175.9	51.5	0	0	0	0	114	I863 Q864 K865	I863-T867 HydrophobicContact CG2-CG2 4.47Å; I863-T867 WeakPolarHBondContact O-CG2 3.32Å; I863-T867 PolarHBondContact O-N 3.3Å; I863-T867 PolarHBondContact O-OG1 3.18Å; Q864-T867 WeakPolarHBondContact CA-OG1 3.02Å; Q864-T867 PolarHBondContact O-N 2.96Å; Q864-T867 PolarHBondContact O-OG1 3.28Å; K865-T867 VanDerWaalsContact C-N 3.26Å; K865-T867 PolarHBondContact O-N 3.24Å
868	Q	89.6	Confident	87.2	Confident	118 Å²	118	70.2 Å²	70.2	55%	0.551	40%	0.4	S	S	*	.	S	Bend	trans	-80.1	152.1	175.8	-67.6	169.4	13.1	0	0	110.8	Q864 K865 L866 T876 G877	Q864-Q868 WeakPolarHBondContact O-CG 3.14Å; Q864-Q868 PolarHBondContact O-N 3.08Å; K865-Q868 WeakPolarHBondContact O-CB 3.26Å; K865-Q868 PolarHBondContact O-N 3Å; K865-Q868 VanDerWaalsContact O-N 3.16Å; L866-Q868 VanDerWaalsContact C-N 3.29Å; Q868-T876 WeakPolarHBondContact O-CA 3.5Å; Q868-G877 PolarHBondContact O-N 3.39Å; Q868-G877 VanDerWaalsContact O-N 3.08Å
869	I	86.6	Confident	87.1	Confident	123 Å²	123	69 Å²	69	63%	0.631	39%	0.391	S	S	*	.	B	Isolated β-bridge	trans	-76.3	124.9	172.5	-60.4	174.4	0	0	0	107.9	E873	I869-E873 VanDerWaalsContact CG2-O 3.25Å; I869-E873 WeakPolarHBondContact CG2-O 3.35Å
870	E	77.2	Confident	86.9	Confident	79 Å²	79	69.5 Å²	69.5	37%	0.369	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-74	139.2	178.1	-77.6	-160.6	148.1	0	0	111.3	G872 E873 V875 L880	E870-G872 PolarHBondContact O-N 3.24Å; E870-E873 PolarHBondContact O-N 3.15Å; E870-V875 PolarHBondContact N-O 2.72Å; E870-L880 HydrophobicContact CB-CD1 4.15Å; E870-L880 HydrophobicContact CG-CD1 4.28Å; E870-L880 WeakPolarHBondContact OE2-CD1 3.47Å
871	G	65.1	Low	86.8	Confident	91 Å²	91	63.2 Å²	63.2	94%	0.938	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	116.3	-179.2	0	0	0	0	0	111.9
872	G	69.1	Low	86.7	Confident	85 Å²	85	61.5 Å²	61.5	88%	0.876	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	111	-14	-179.2	0	0	0	0	0	114.3	E870	E870-G872 PolarHBondContact O-N 3.24Å
873	E	67.9	Low	86.5	Confident	102 Å²	102	64 Å²	64	48%	0.477	36%	0.362	S	S	.	.	S	Bend	trans	-127.4	147.9	176.8	-62.2	-157.9	-157.8	0	0	111.7	I869 E870 V875 L880	I869-E873 VanDerWaalsContact CG2-O 3.25Å; I869-E873 WeakPolarHBondContact CG2-O 3.35Å; E870-E873 PolarHBondContact O-N 3.15Å; E873-V875 HydrophobicContact CB-CG2 4.02Å; E873-V875 PolarHBondContact O-N 3.31Å; E873-L880 WeakPolarHBondContact OE2-CD2 3.38Å
874	N	84.4	Confident	86.2	Confident	169 Å²	169	68.4 Å²	68.4	90%	0.904	38%	0.377	S	S	*	.	S	Bend	trans	-86.3	24.1	-178.5	-74.4	-24.7	0	0	0	113.5
875	V	89.1	Confident	85.8	Confident	22 Å²	22	65.1 Å²	65.1	13%	0.133	36%	0.362	C	S	.	.	S	Bend	trans	-133.8	157.7	-171.7	-67	0	0	0	0	111.4	E870 E873 E879 L880	E870-V875 PolarHBondContact N-O 2.72Å; E873-V875 HydrophobicContact CB-CG2 4.02Å; E873-V875 PolarHBondContact O-N 3.31Å; V875-E879 HydrophobicContact CB-CB 4.36Å; V875-E879 HydrophobicContact CB-CG 4.34Å; V875-E879 WeakPolarHBondContact CB-OE2 3.35Å; V875-E879 WeakPolarHBondContact CG1-OE1 3.22Å; V875-E879 VanDerWaalsContact CG1-OE2 3.29Å; V875-E879 WeakPolarHBondContact CG1-OE2 3.42Å; V875-L880 HydrophobicContact CG2-CD1 3.95Å; V875-L880 HydrophobicContact CG2-CD2 3.76Å; V875-L880 HydrophobicContact CG2-CG 3.58Å
876	T	91.3	Very high	84.7	Confident	36 Å²	36	62.1 Å²	62.1	22%	0.221	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-73.8	155	178.6	67.8	0	0	0	0	111.2	L866 Q868 M878 E879 L880	L866-T876 WeakPolarHBondContact O-CB 3.44Å; Q868-T876 WeakPolarHBondContact O-CA 3.5Å; T876-M878 PolarHBondContact O-N 3.08Å; T876-E879 PolarHBondContact O-N 3.45Å; T876-E879 VanDerWaalsContact O-N 3.14Å; T876-E879 PolarHBondContact OG1-N 2.89Å; T876-L880 PolarHBondContact O-N 2.93Å
877	G	90	Very high	82.9	Confident	4 Å²	4	68.2 Å²	68.2	4%	0.041	39%	0.393	C	S	.	.	H	α-helix	trans	-56.3	-33.1	172.8	0	0	0	0	0	113	L866 Q868 L880 E881	L866-G877 CarbonylContact O-C 3.59Å; L866-G877 WeakPolarHBondContact O-CA 3.37Å; L866-G877 PolarHBondContact O-N 2.98Å; Q868-G877 PolarHBondContact O-N 3.39Å; Q868-G877 VanDerWaalsContact O-N 3.08Å; G877-L880 PolarHBondContact O-N 2.87Å; G877-E881 WeakPolarHBondContact O-CB 3.36Å; G877-E881 PolarHBondContact O-N 3.07Å
878	M	92.1	Very high	81.1	Confident	6 Å²	6	69.4 Å²	69.4	3%	0.03	40%	0.4	C	S	.	.	H	α-helix	trans	-63.7	-46.5	175.2	-174.4	68.1	69.3	0	0	112.5	L866 T876 L880 E881 F882 Y1127 Q1128 Y1131	L866-M878 HydrophobicContact CB-CB 4.11Å; L866-M878 HydrophobicContact CB-CE 3.85Å; L866-M878 HydrophobicContact CD1-CE 3.64Å; L866-M878 HydrophobicContact CD1-SD 4.08Å; L866-M878 HydrophobicContact CG-CE 4.44Å; L866-M878 PolarHBondContact O-N 3.15Å; T876-M878 PolarHBondContact O-N 3.08Å; M878-L880 VanDerWaalsContact C-N 3.32Å; M878-E881 PolarHBondContact O-N 2.85Å; M878-F882 PolarHBondContact O-N 3.4Å; M878-Y1127 HydrophobicContact SD-CD1 3.74Å; M878-Y1127 HydrophobicContact SD-CE1 3.87Å; M878-Q1128 HydrophobicContact CG-CG 3.56Å; M878-Q1128 HydrophobicContact SD-CG 4.14Å; M878-Y1131 HydrophobicContact CE-CD2 3.54Å; M878-Y1131 HydrophobicContact CE-CE2 4.01Å; M878-Y1131 HydrophobicContact CE-CG 3.95Å; M878-Y1131 HydrophobicContact SD-CD2 3.54Å; M878-Y1131 VanDerWaalsContact SD-CD2 3.54Å; M878-Y1131 HydrophobicContact SD-CE2 3.69Å
879	E	90.9	Very high	79.4	Confident	51 Å²	51	73.5 Å²	73.5	24%	0.238	42%	0.416	C	S	.	.	H	α-helix	trans	-64.2	-40.2	176.9	-176.7	179.8	164.8	0	0	110.6	V875 T876 F882 K883	V875-E879 HydrophobicContact CB-CB 4.36Å; V875-E879 HydrophobicContact CB-CG 4.34Å; V875-E879 WeakPolarHBondContact CB-OE2 3.35Å; V875-E879 WeakPolarHBondContact CG1-OE1 3.22Å; V875-E879 VanDerWaalsContact CG1-OE2 3.29Å; V875-E879 WeakPolarHBondContact CG1-OE2 3.42Å; T876-E879 PolarHBondContact O-N 3.45Å; T876-E879 VanDerWaalsContact O-N 3.14Å; T876-E879 PolarHBondContact OG1-N 2.89Å; E879-F882 PolarHBondContact O-N 2.97Å; E879-K883 HydrophobicContact CG-CD 4.28Å; E879-K883 WeakPolarHBondContact O-CB 3.38Å; E879-K883 WeakPolarHBondContact O-CG 3.09Å; E879-K883 PolarHBondContact O-N 3.19Å; E879-K883 WeakPolarHBondContact OE1-CE 3.25Å; E879-K883 IonicContact OE1-NZ 3.52Å; E879-K883 PolarHBondContact OE1-NZ 3.16Å
880	L	88.9	Confident	78.1	Confident	13 Å²	13	69.1 Å²	69.1	7%	0.068	40%	0.398	C	S	.	.	H	α-helix	trans	-61.9	-47.1	175.6	-78.2	166.9	0	0	0	112.4	E870 E873 V875 T876 G877 M878 F882 K883 R884	E870-L880 HydrophobicContact CB-CD1 4.15Å; E870-L880 HydrophobicContact CG-CD1 4.28Å; E870-L880 WeakPolarHBondContact OE2-CD1 3.47Å; E873-L880 WeakPolarHBondContact OE2-CD2 3.38Å; V875-L880 HydrophobicContact CG2-CD1 3.95Å; V875-L880 HydrophobicContact CG2-CD2 3.76Å; V875-L880 HydrophobicContact CG2-CG 3.58Å; T876-L880 PolarHBondContact O-N 2.93Å; G877-L880 PolarHBondContact O-N 2.87Å; M878-L880 VanDerWaalsContact C-N 3.32Å; L880-F882 VanDerWaalsContact C-N 3.32Å; L880-F882 PolarHBondContact O-N 3.4Å; L880-K883 PolarHBondContact O-N 3.35Å; L880-R884 WeakPolarHBondContact O-CG 3.31Å; L880-R884 PolarHBondContact O-N 3.07Å
881	E	90.4	Very high	77.3	Confident	8 Å²	8	71.4 Å²	71.4	4%	0.037	41%	0.409	C	S	.	.	H	α-helix	trans	-60	-44	176.5	-169.2	179.5	114.4	0	0	110.8	Y862 G877 M878 R884 F1107 Y1127 Y1131	Y862-E881 PolarHBondContact OH-OE2 2.94Å; G877-E881 WeakPolarHBondContact O-CB 3.36Å; G877-E881 PolarHBondContact O-N 3.07Å; M878-E881 PolarHBondContact O-N 2.85Å; E881-R884 PolarHBondContact O-N 3.33Å; E881-F1107 HydrophobicContact CG-CB 4.32Å; E881-F1107 HydrophobicContact CG-CD2 3.5Å; E881-F1107 HydrophobicContact CG-CE2 4.16Å; E881-F1107 HydrophobicContact CG-CG 4.2Å; E881-F1107 VanDerWaalsContact O-CE2 3.31Å; E881-F1107 WeakPolarHBondContact O-CE2 3.38Å; E881-Y1127 HydrophobicContact CG-CE1 4.31Å; E881-Y1127 PolarHBondContact OE1-OH 2.81Å; E881-Y1131 PolarHBondContact OE1-OH 3.02Å
882	F	91.7	Very high	77.1	Confident	29 Å²	29	72 Å²	72	13%	0.127	39%	0.394	C	S	.	.	H	α-helix	trans	-65.2	-40.3	176	-175.6	-107.1	0	0	0	113	M878 E879 L880 R884 L885 T1123 E1124 Y1127	M878-F882 PolarHBondContact O-N 3.4Å; E879-F882 PolarHBondContact O-N 2.97Å; L880-F882 VanDerWaalsContact C-N 3.32Å; L880-F882 PolarHBondContact O-N 3.4Å; F882-R884 VanDerWaalsContact C-N 3.28Å; F882-R884 PolarHBondContact O-N 2.84Å; F882-L885 HydrophobicContact CD2-CD1 4.05Å; F882-L885 VanDerWaalsContact O-CB 3.32Å; F882-L885 WeakPolarHBondContact O-CB 3.41Å; F882-L885 PolarHBondContact O-N 2.87Å; F882-L885 VanDerWaalsContact O-N 3.07Å; F882-T1123 VanDerWaalsContact CZ-C 3.44Å; F882-E1124 HydrophobicContact CB-CG 4.41Å; F882-E1124 HydrophobicContact CD1-CB 3.97Å; F882-E1124 HydrophobicContact CD1-CG 4.4Å; F882-E1124 HydrophobicContact CE1-CB 4.27Å; F882-E1124 HydrophobicContact CG-CB 4.37Å; F882-E1124 HydrophobicContact CG-CG 4.46Å; F882-Y1127 HydrophobicContact CB-CD1 4.04Å; F882-Y1127 HydrophobicContact CB-CE1 4.45Å; F882-Y1127 HydrophobicContact CB-CG 4.46Å; F882-Y1127 HydrophobicContact CD2-CD1 4.1Å; F882-Y1127 HydrophobicContact CD2-CD2 4.01Å; F882-Y1127 AromaticContact CD2-CG 3.65Å; F882-Y1127 HydrophobicContact CD2-CG 3.65Å; F882-Y1127 HydrophobicContact CE2-CG 4.4Å; F882-Y1127 HydrophobicContact CG-CG 4.45Å
883	K	89	Confident	77.2	Confident	95 Å²	95	71.4 Å²	71.4	41%	0.413	38%	0.376	S	S	.	.	H	α-helix	trans	-60.6	-36.9	175.8	-78.7	174.7	-178.1	168.1	0	112.1	E879 L880 L885 A886	E879-K883 HydrophobicContact CG-CD 4.28Å; E879-K883 WeakPolarHBondContact O-CB 3.38Å; E879-K883 WeakPolarHBondContact O-CG 3.09Å; E879-K883 PolarHBondContact O-N 3.19Å; E879-K883 WeakPolarHBondContact OE1-CE 3.25Å; E879-K883 IonicContact OE1-NZ 3.52Å; E879-K883 PolarHBondContact OE1-NZ 3.16Å; L880-K883 PolarHBondContact O-N 3.35Å; K883-L885 PolarHBondContact O-N 2.84Å; K883-A886 WeakPolarHBondContact O-CB 3.38Å; K883-A886 PolarHBondContact O-N 3.15Å
884	R	86.9	Confident	77.7	Confident	116 Å²	116	68.6 Å²	68.6	44%	0.438	36%	0.361	S	S	.	.	H	α-helix	trans	-61.9	-24.3	175.5	-69.9	175.2	-167.4	166.7	7.4	113.1	L880 E881 F882 A886 F1107	L880-R884 WeakPolarHBondContact O-CG 3.31Å; L880-R884 PolarHBondContact O-N 3.07Å; E881-R884 PolarHBondContact O-N 3.33Å; F882-R884 VanDerWaalsContact C-N 3.28Å; F882-R884 PolarHBondContact O-N 2.84Å; R884-A886 VanDerWaalsContact C-N 3.3Å; R884-A886 PolarHBondContact O-N 2.91Å; R884-F1107 HydrophobicContact CB-CE2 3.96Å; R884-F1107 HydrophobicContact CB-CZ 4.17Å
885	L	85.6	Confident	77.9	Confident	12 Å²	12	61.7 Å²	61.7	6%	0.063	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-17.8	173.3	-63.2	169.2	0	0	0	113.6	F882 K883 F1107 V1110 K1111 R1114 Y1127	F882-L885 HydrophobicContact CD2-CD1 4.05Å; F882-L885 VanDerWaalsContact O-CB 3.32Å; F882-L885 WeakPolarHBondContact O-CB 3.41Å; F882-L885 PolarHBondContact O-N 2.87Å; F882-L885 VanDerWaalsContact O-N 3.07Å; K883-L885 PolarHBondContact O-N 2.84Å; L885-F1107 HydrophobicContact CD1-CD2 4.34Å; L885-F1107 HydrophobicContact CD2-CD2 3.65Å; L885-F1107 HydrophobicContact CD2-CE1 4.39Å; L885-F1107 HydrophobicContact CD2-CE2 3.46Å; L885-F1107 VanDerWaalsContact CD2-CE2 3.46Å; L885-F1107 HydrophobicContact CD2-CG 4.27Å; L885-F1107 HydrophobicContact CD2-CZ 3.87Å; L885-F1107 HydrophobicContact CG-CD2 3.82Å; L885-F1107 HydrophobicContact CG-CE2 3.58Å; L885-F1107 HydrophobicContact CG-CZ 4.39Å; L885-V1110 HydrophobicContact CD1-CB 4.11Å; L885-V1110 HydrophobicContact CD1-CG1 3.7Å; L885-V1110 HydrophobicContact CD2-CG1 4.48Å; L885-K1111 HydrophobicContact CD2-CB 3.74Å; L885-K1111 HydrophobicContact CD2-CG 4.47Å; L885-R1114 PolarHBondContact O-NH1 3.31Å; L885-Y1127 HydrophobicContact CD1-CD2 4.07Å; L885-Y1127 HydrophobicContact CD1-CE2 3.63Å
886	A	69.6	Low	77.9	Confident	58 Å²	58	65.6 Å²	65.6	48%	0.479	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-13.1	-173	0	0	0	0	0	113.9	K883 R884 T888	K883-A886 WeakPolarHBondContact O-CB 3.38Å; K883-A886 PolarHBondContact O-N 3.15Å; R884-A886 VanDerWaalsContact C-N 3.3Å; R884-A886 PolarHBondContact O-N 2.91Å; A886-T888 PolarHBondContact O-N 2.84Å
887	N	53.9	Low	78	Confident	139 Å²	139	64.4 Å²	64.4	74%	0.743	34%	0.336	S	S	*	.			trans	-76	10.8	-169.6	-74.6	-6.9	0	0	0	115.5
888	T	53.8	Low	78.1	Confident	102 Å²	102	64.3 Å²	64.3	63%	0.626	33%	0.334	S	S	*	.			trans	-121.4	77.5	180	-31.2	0	0	0	0	110	A886 A890	A886-T888 PolarHBondContact O-N 2.84Å; T888-A890 PolarHBondContact O-N 2.84Å
889	K	53.4	Low	78.1	Confident	204 Å²	204	67.1 Å²	67.1	89%	0.887	35%	0.35	S	S	*	.			trans	-67.5	115	169.5	-77.9	-175.3	-179.5	175	0	108.4	H891	K889-H891 PolarHBondContact O-N 2.77Å
890	A	60.4	Low	78.2	Confident	30 Å²	30	67.8 Å²	67.8	25%	0.248	35%	0.354	C	S	.	.			trans	-65.4	133.2	176.2	0	0	0	0	0	110.7	T888 F895 Y915	T888-A890 PolarHBondContact O-N 2.84Å; A890-F895 HydrophobicContact CB-CE2 4.03Å; A890-F895 HydrophobicContact CB-CZ 3.87Å; A890-Y915 HydrophobicContact CB-CE1 3.53Å
891	H	59.2	Low	78.4	Confident	128 Å²	128	72.3 Å²	72.3	59%	0.593	39%	0.385	S	S	*	.			trans	-63.2	147.1	175.6	-166.4	-91.7	0	0	0	111.1	K889 S893 R894	K889-H891 PolarHBondContact O-N 2.77Å; H891-S893 WeakPolarHBondContact ND1-CB 3.38Å; H891-S893 PolarHBondContact ND1-N 2.9Å; H891-S893 PolarHBondContact ND1-OG 2.88Å; H891-S893 PolarHBondContact O-N 3.19Å; H891-S893 VanDerWaalsContact O-N 3.13Å; H891-R894 PolarHBondContact O-N 3.04Å
892	T	62.5	Low	78.5	Confident	104 Å²	104	73.6 Å²	73.6	64%	0.638	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-58.7	-28.3	-176.5	47.3	0	0	0	0	113.3	R894 F895	T892-R894 PolarHBondContact O-N 2.95Å; T892-R894 VanDerWaalsContact O-N 3.11Å; T892-F895 PolarHBondContact O-N 2.94Å; T892-F895 VanDerWaalsContact O-N 3.12Å
893	S	69.5	Low	78.7	Confident	71 Å²	71	72.2 Å²	72.2	50%	0.497	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-60.2	-16	175	58.9	0	0	0	0	114.3	H891 F895 I896	H891-S893 WeakPolarHBondContact ND1-CB 3.38Å; H891-S893 PolarHBondContact ND1-N 2.9Å; H891-S893 PolarHBondContact ND1-OG 2.88Å; H891-S893 PolarHBondContact O-N 3.19Å; H891-S893 VanDerWaalsContact O-N 3.13Å; S893-F895 VanDerWaalsContact C-N 3.29Å; S893-F895 PolarHBondContact O-N 3.23Å; S893-I896 WeakPolarHBondContact O-CG1 3.41Å
894	R	80.3	Confident	79	Confident	43 Å²	43	73.8 Å²	73.8	16%	0.162	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-82.2	-3.2	176.7	-61.4	-174.9	78.9	-147.3	-6.8	113.5	E760 H761 H891 T892 Y915 E916	E760-R894 VanDerWaalsContact CD-NH2 3.29Å; E760-R894 IonicContact OE1-CZ 2.76Å; E760-R894 IonicContact OE1-NE 3.37Å; E760-R894 PolarHBondContact OE1-NE 3.39Å; E760-R894 IonicContact OE1-NH2 3.66Å; E760-R894 PolarHBondContact OE1-NH2 3.08Å; E760-R894 IonicContact OE2-NH2 2.88Å; H761-R894 PolarHBondContact NE2-NH2 3.05Å; H761-R894 VanDerWaalsContact NE2-NH2 3.12Å; H891-R894 PolarHBondContact O-N 3.04Å; T892-R894 PolarHBondContact O-N 2.95Å; T892-R894 VanDerWaalsContact O-N 3.11Å; R894-Y915 HydrophobicContact CB-CD1 4Å; R894-Y915 CarbonylContact O-C 3.52Å; R894-Y915 WeakPolarHBondContact O-CA 3.47Å; R894-E916 PolarHBondContact O-N 3.07Å
895	F	87.1	Confident	79.3	Confident	24 Å²	24	74.1 Å²	74.1	11%	0.105	40%	0.399	C	S	.	.			trans	-121.3	41.6	-173.9	-54.6	-67.5	0	0	0	112.8	A890 T892 S893 N899 M913 P914 Y915 P1118	A890-F895 HydrophobicContact CB-CE2 4.03Å; A890-F895 HydrophobicContact CB-CZ 3.87Å; T892-F895 PolarHBondContact O-N 2.94Å; T892-F895 VanDerWaalsContact O-N 3.12Å; S893-F895 VanDerWaalsContact C-N 3.29Å; S893-F895 PolarHBondContact O-N 3.23Å; F895-N899 VanDerWaalsContact CB-ND2 3.34Å; F895-N899 WeakPolarHBondContact CB-ND2 3.24Å; F895-N899 WeakPolarHBondContact O-CB 3.22Å; F895-N899 PolarHBondContact O-N 2.64Å; F895-N899 PolarHBondContact O-ND2 3.24Å; F895-M913 HydrophobicContact CB-CB 4.48Å; F895-M913 HydrophobicContact CB-CE 4.09Å; F895-M913 HydrophobicContact CB-SD 4.4Å; F895-M913 HydrophobicContact CD1-CB 3.7Å; F895-M913 HydrophobicContact CD2-CE 4.38Å; F895-M913 HydrophobicContact CE1-CB 4.23Å; F895-M913 WeakPolarHBondContact CE1-O 3.48Å; F895-M913 HydrophobicContact CG-CB 4.28Å; F895-M913 HydrophobicContact CG-CE 4.13Å; F895-P914 WeakPolarHBondContact CD1-O 3.41Å; F895-Y915 HydrophobicContact CD1-CD1 4.1Å; F895-Y915 AromaticContact CE1-CD1 3.39Å; F895-Y915 HydrophobicContact CE1-CD1 3.39Å; F895-Y915 AromaticContact CE1-CE1 3.54Å; F895-Y915 HydrophobicContact CE1-CE1 3.54Å; F895-Y915 AromaticContact CZ-CD1 3.83Å; F895-Y915 HydrophobicContact CZ-CD1 3.83Å; F895-Y915 AromaticContact CZ-CE1 3.55Å; F895-Y915 HydrophobicContact CZ-CE1 3.55Å; F895-P1118 HydrophobicContact CE1-CG 4.13Å; F895-P1118 HydrophobicContact CZ-CG 4.42Å
896	I	90.6	Very high	79.9	Confident	104 Å²	104	74.3 Å²	74.3	53%	0.533	40%	0.4	S	S	.	.	H	α-helix	trans	-60.5	-62.8	-168.7	-54.2	176.9	0	0	0	111.5	S893 A898 N899 E916	S893-I896 WeakPolarHBondContact O-CG1 3.41Å; I896-A898 VanDerWaalsContact C-N 3.3Å; I896-A898 PolarHBondContact O-N 3.26Å; I896-N899 PolarHBondContact O-N 3.25Å; I896-E916 HydrophobicContact CB-CG 4.48Å; I896-E916 HydrophobicContact CD1-CG 4.44Å
897	S	93.1	Very high	81.2	Confident	12 Å²	12	72.2 Å²	72.2	8%	0.084	38%	0.381	C	S	.	.	H	α-helix	trans	-64.3	-36.4	-175.3	-62.2	0	0	0	0	112.3	N899 L900 N903 E916 R919	S897-N899 VanDerWaalsContact C-N 3.29Å; S897-N899 PolarHBondContact O-N 2.81Å; S897-L900 PolarHBondContact O-N 3.34Å; S897-N903 PolarHBondContact O-ND2 2.97Å; S897-E916 VanDerWaalsContact CB-OE2 3.24Å; S897-E916 WeakPolarHBondContact CB-OE2 3.34Å; S897-E916 PolarHBondContact N-OE2 2.73Å; S897-E916 VanDerWaalsContact OG-CD 3.25Å; S897-E916 PolarHBondContact OG-OE1 2.72Å; S897-E916 PolarHBondContact OG-OE2 3.19Å; S897-R919 PolarHBondContact OG-NE 3.4Å; S897-R919 PolarHBondContact OG-NH2 3.04Å
898	A	92.4	Very high	83.3	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.008	35%	0.354	C	S	.	.	H	α-helix	trans	-67	-28.8	-179	0	0	0	0	0	113.5	I896 N907 M913 Y933	I896-A898 VanDerWaalsContact C-N 3.3Å; I896-A898 PolarHBondContact O-N 3.26Å; A898-N907 PolarHBondContact O-ND2 2.7Å; A898-M913 HydrophobicContact CB-CB 3.75Å; A898-M913 HydrophobicContact CB-CG 3.84Å; A898-M913 HydrophobicContact CB-SD 3.68Å; A898-Y933 HydrophobicContact CB-CE2 3.71Å; A898-Y933 VanDerWaalsContact CB-OH 3.28Å; A898-Y933 WeakPolarHBondContact CB-OH 3.4Å
899	N	91.4	Very high	85.1	Confident	66 Å²	66	66.4 Å²	66.4	35%	0.353	34%	0.342	S	S	.	.	H	α-helix	trans	-87.7	-8.5	-179.3	-82.8	-53.1	0	0	0	114.4	F895 I896 S897 K904	F895-N899 VanDerWaalsContact CB-ND2 3.34Å; F895-N899 WeakPolarHBondContact CB-ND2 3.24Å; F895-N899 WeakPolarHBondContact O-CB 3.22Å; F895-N899 PolarHBondContact O-N 2.64Å; F895-N899 PolarHBondContact O-ND2 3.24Å; I896-N899 PolarHBondContact O-N 3.25Å; S897-N899 VanDerWaalsContact C-N 3.29Å; S897-N899 PolarHBondContact O-N 2.81Å; N899-K904 WeakPolarHBondContact O-CE 3.25Å
900	L	92.1	Very high	86.8	Confident	65 Å²	65	62.6 Å²	62.6	34%	0.34	34%	0.335	S	S	.	.	S	Bend	trans	-56.2	136.9	175.7	-67.6	176.2	0	0	0	110.3	S897 C902 N903 K904	S897-L900 PolarHBondContact O-N 3.34Å; L900-C902 PolarHBondContact O-N 3.18Å; L900-C902 VanDerWaalsContact O-N 3.16Å; L900-N903 HydrophobicContact CB-CB 4.44Å; L900-N903 PolarHBondContact O-N 3.32Å; L900-K904 PolarHBondContact O-N 3.28Å
901	P	93.1	Very high	88	Confident	108 Å²	108	66.7 Å²	66.7	70%	0.701	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-53.2	-39	-177.7	-28.7	35.6	0	0	0	113.9	N903 K904	P901-N903 PolarHBondContact O-N 2.97Å; P901-K904 PolarHBondContact O-N 3.23Å
902	C	92.9	Very high	89.6	Confident	35 Å²	35	61 Å²	61	24%	0.236	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-67.1	-14.2	177.1	60.2	0	0	0	0	114.3	L900 F905	L900-C902 PolarHBondContact O-N 3.18Å; L900-C902 VanDerWaalsContact O-N 3.16Å; C902-F905 WeakPolarHBondContact O-CE1 3.39Å
903	N	96.8	Very high	91.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-107.5	-12.7	-179.2	-70.5	-26.8	0	0	0	113.2	S897 L900 P901 F905 K906 N907 G930 Y933	S897-N903 PolarHBondContact O-ND2 2.97Å; L900-N903 HydrophobicContact CB-CB 4.44Å; L900-N903 PolarHBondContact O-N 3.32Å; P901-N903 PolarHBondContact O-N 2.97Å; N903-F905 VanDerWaalsContact C-N 3.31Å; N903-F905 PolarHBondContact O-N 3.07Å; N903-K906 VanDerWaalsContact O-CB 3.32Å; N903-K906 WeakPolarHBondContact O-CB 3.24Å; N903-K906 PolarHBondContact O-N 3.47Å; N903-N907 PolarHBondContact O-ND2 3.2Å; N903-G930 WeakPolarHBondContact OD1-CA 3.36Å; N903-G930 PolarHBondContact OD1-O 3.41Å; N903-Y933 HydrophobicContact CB-CD1 3.62Å; N903-Y933 HydrophobicContact CB-CE1 3.94Å; N903-Y933 HydrophobicContact CB-CG 4.06Å; N903-Y933 WeakPolarHBondContact ND2-CB 3.24Å
904	K	94	Very high	92.4	Very high	127 Å²	127	53.6 Å²	53.6	55%	0.552	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-57.1	-40.9	-175.8	-75	-172	176.4	-178.5	0	113.3	N899 L900 P901 K906 N907	N899-K904 WeakPolarHBondContact O-CE 3.25Å; L900-K904 PolarHBondContact O-N 3.28Å; P901-K904 PolarHBondContact O-N 3.23Å; K904-K906 PolarHBondContact O-N 2.88Å; K904-N907 PolarHBondContact O-N 2.81Å
905	F	94.2	Very high	93	Very high	123 Å²	123	52.1 Å²	52.1	54%	0.539	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-71.7	-14.5	179.2	72.6	-93.3	0	0	0	113.6	C902 N903 N907 E957	C902-F905 WeakPolarHBondContact O-CE1 3.39Å; N903-F905 VanDerWaalsContact C-N 3.31Å; N903-F905 PolarHBondContact O-N 3.07Å; F905-N907 VanDerWaalsContact C-N 3.26Å; F905-N907 PolarHBondContact O-N 3.46Å; F905-E957 HydrophobicContact CD2-CB 4.28Å; F905-E957 HydrophobicContact CE2-CB 4.25Å
906	K	97.9	Very high	93.2	Very high	17 Å²	17	53.8 Å²	53.8	7%	0.074	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-81.6	-5.7	177.6	-57.8	-177.1	174.6	-164.3	0	112.6	N903 K904 G930 Y933 Q952 T958 D961	N903-K906 VanDerWaalsContact O-CB 3.32Å; N903-K906 WeakPolarHBondContact O-CB 3.24Å; N903-K906 PolarHBondContact O-N 3.47Å; K904-K906 PolarHBondContact O-N 2.88Å; K906-G930 PolarHBondContact NZ-O 2.88Å; K906-Y933 HydrophobicContact CB-CD1 4.24Å; K906-Y933 HydrophobicContact CB-CE1 4.13Å; K906-Y933 HydrophobicContact CD-CD1 3.96Å; K906-Q952 PolarHBondContact O-NE2 2.77Å; K906-T958 HydrophobicContact CB-CG2 3.73Å; K906-T958 HydrophobicContact CG-CG2 3.99Å; K906-D961 IonicContact NZ-OD2 3.11Å; K906-D961 PolarHBondContact NZ-OD2 2.74Å
907	N	97.3	Very high	93.1	Very high	14 Å²	14	52.1 Å²	52.1	8%	0.075	28%	0.278	C	S	.	.			trans	-101.9	121.2	-179.3	-60.5	-48.4	0	0	0	110.7	A898 N903 K904 F905 L909 Y933 N935	A898-N907 PolarHBondContact O-ND2 2.7Å; N903-N907 PolarHBondContact O-ND2 3.2Å; K904-N907 PolarHBondContact O-N 2.81Å; F905-N907 VanDerWaalsContact C-N 3.26Å; F905-N907 PolarHBondContact O-N 3.46Å; N907-L909 VanDerWaalsContact C-N 3.28Å; N907-L909 PolarHBondContact O-N 3.1Å; N907-Y933 PolarHBondContact OD1-OH 2.96Å; N907-N935 PolarHBondContact OD1-ND2 2.94Å
908	R	96.6	Very high	93.2	Very high	48 Å²	48	52.8 Å²	52.8	18%	0.181	28%	0.281	C	S	.	.	S	Bend	trans	-64.5	-35	176.7	-178.4	171.9	-75.5	-84.2	4.3	111.7	G953 P954 L955 E986 K987 S1079	R908-G953 PolarHBondContact NE-O 3.38Å; R908-P954 PolarHBondContact NH2-O 3.37Å; R908-L955 HydrophobicContact CB-CD2 4.1Å; R908-L955 HydrophobicContact CG-CD2 4.23Å; R908-E986 IonicContact CZ-OE1 3.78Å; R908-E986 IonicContact NH1-OE1 3.7Å; R908-E986 PolarHBondContact NH1-OE1 3.35Å; R908-E986 IonicContact NH2-OE1 3.86Å; R908-E986 PolarHBondContact NH2-OE1 2.87Å; R908-K987 PolarHBondContact NE-O 2.83Å; R908-S1079 WeakPolarHBondContact CD-O 3.47Å
909	L	91.4	Very high	93.4	Very high	71 Å²	71	54.3 Å²	54.3	37%	0.372	29%	0.287	S	S	.	.	S	Bend	trans	-128.9	129.8	173.9	-63	-177.9	0	0	0	110.1	N907 N911 I912 A1080	N907-L909 VanDerWaalsContact C-N 3.28Å; N907-L909 PolarHBondContact O-N 3.1Å; L909-N911 PolarHBondContact O-N 2.66Å; L909-I912 HydrophobicContact CB-CB 4.17Å; L909-I912 HydrophobicContact CB-CG1 4.1Å; L909-I912 HydrophobicContact CD1-CG1 3.97Å; L909-I912 PolarHBondContact O-N 2.94Å; L909-A1080 HydrophobicContact CD1-CB 3.58Å; L909-A1080 HydrophobicContact CG-CB 4.37Å
910	V	89.3	Confident	93.7	Very high	124 Å²	124	51.2 Å²	51.2	75%	0.752	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-23	-176.8	-63.3	0	0	0	0	113.9	M913	V910-M913 WeakPolarHBondContact O-CE 3.41Å
911	N	86.3	Confident	94	Very high	115 Å²	115	50.9 Å²	50.9	62%	0.615	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	0.1	-178.5	64.2	-33.8	0	0	0	113.5	L909	L909-N911 PolarHBondContact O-N 2.66Å
912	I	92.7	Very high	94.2	Very high	9 Å²	9	45.9 Å²	45.9	5%	0.046	24%	0.24	C	C	.	.			trans	-117.6	93.4	177	-56.6	-61.7	0	0	0	108.2	L909 N935 A1080 V1082 A1119	L909-I912 HydrophobicContact CB-CB 4.17Å; L909-I912 HydrophobicContact CB-CG1 4.1Å; L909-I912 HydrophobicContact CD1-CG1 3.97Å; L909-I912 PolarHBondContact O-N 2.94Å; I912-N935 PolarHBondContact O-ND2 2.88Å; I912-A1080 HydrophobicContact CG1-CB 4.41Å; I912-A1080 HydrophobicContact CG2-CB 4.42Å; I912-V1082 HydrophobicContact CD1-CG2 4.24Å; I912-V1082 HydrophobicContact CG2-CG1 3.54Å; I912-V1082 HydrophobicContact CG2-CG2 4.36Å; I912-A1119 HydrophobicContact CD1-CB 4.25Å
913	M	95	Very high	94.3	Very high	18 Å²	18	50.7 Å²	50.7	9%	0.089	26%	0.259	C	S	.	.			trans	-122.1	147.8	-177.9	-68.7	-179	-72.7	0	0	110.4	F895 A898 V910 P1118	F895-M913 HydrophobicContact CB-CB 4.48Å; F895-M913 HydrophobicContact CB-CE 4.09Å; F895-M913 HydrophobicContact CB-SD 4.4Å; F895-M913 HydrophobicContact CD1-CB 3.7Å; F895-M913 HydrophobicContact CD2-CE 4.38Å; F895-M913 HydrophobicContact CE1-CB 4.23Å; F895-M913 WeakPolarHBondContact CE1-O 3.48Å; F895-M913 HydrophobicContact CG-CB 4.28Å; F895-M913 HydrophobicContact CG-CE 4.13Å; A898-M913 HydrophobicContact CB-CB 3.75Å; A898-M913 HydrophobicContact CB-CG 3.84Å; A898-M913 HydrophobicContact CB-SD 3.68Å; V910-M913 WeakPolarHBondContact O-CE 3.41Å; M913-P1118 WeakPolarHBondContact O-CD 3.33Å; M913-P1118 WeakPolarHBondContact O-CG 3.47Å
914	P	96.1	Very high	94.2	Very high	2 Å²	2	55 Å²	55	1%	0.013	29%	0.288	C	S	.	.			trans	-69.8	145.5	173.1	31.9	-35.1	0	0	0	110.4	F895 R919 Y933 A936 S937	F895-P914 WeakPolarHBondContact CD1-O 3.41Å; P914-R919 HydrophobicContact CB-CB 4.06Å; P914-R919 HydrophobicContact CG-CB 4.24Å; P914-Y933 WeakPolarHBondContact CD-OH 3.38Å; P914-Y933 HydrophobicContact CG-CE2 3.95Å; P914-A936 WeakPolarHBondContact CB-O 3.22Å; P914-S937 VanDerWaalsContact CB-OG 3.26Å; P914-S937 WeakPolarHBondContact CB-OG 3.46Å
915	Y	93.1	Very high	94	Very high	11 Å²	11	51.1 Å²	51.1	4%	0.043	27%	0.272	C	S	.	.			trans	-67.6	147.8	168.2	-59.1	-49.1	0	0	0	110.5	A890 R894 F895 S917 T918 R919 R1114 T1115 Q1116 P1118	A890-Y915 HydrophobicContact CB-CE1 3.53Å; R894-Y915 HydrophobicContact CB-CD1 4Å; R894-Y915 CarbonylContact O-C 3.52Å; R894-Y915 WeakPolarHBondContact O-CA 3.47Å; F895-Y915 HydrophobicContact CD1-CD1 4.1Å; F895-Y915 AromaticContact CE1-CD1 3.39Å; F895-Y915 HydrophobicContact CE1-CD1 3.39Å; F895-Y915 AromaticContact CE1-CE1 3.54Å; F895-Y915 HydrophobicContact CE1-CE1 3.54Å; F895-Y915 AromaticContact CZ-CD1 3.83Å; F895-Y915 HydrophobicContact CZ-CD1 3.83Å; F895-Y915 AromaticContact CZ-CE1 3.55Å; F895-Y915 HydrophobicContact CZ-CE1 3.55Å; Y915-S917 VanDerWaalsContact C-N 3.27Å; Y915-S917 PolarHBondContact O-N 3.07Å; Y915-T918 PolarHBondContact O-N 3.25Å; Y915-R919 WeakPolarHBondContact O-CB 3.41Å; Y915-R919 PolarHBondContact O-N 3.47Å; Y915-R1114 WeakPolarHBondContact CE2-O 3.39Å; Y915-R1114 PolarHBondContact OH-O 2.85Å; Y915-R1114 VanDerWaalsContact OH-O 3.1Å; Y915-T1115 VanDerWaalsContact CD2-O 3.28Å; Y915-T1115 WeakPolarHBondContact CD2-O 3.49Å; Y915-T1115 VanDerWaalsContact CE2-O 3.23Å; Y915-T1115 WeakPolarHBondContact CE2-O 3.41Å; Y915-Q1116 WeakPolarHBondContact CD2-O 3.39Å; Y915-P1118 HydrophobicContact CE1-CB 4.22Å; Y915-P1118 HydrophobicContact CE1-CG 4.27Å
916	E	91.7	Very high	93.8	Very high	59 Å²	59	57 Å²	57	28%	0.276	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-36.6	179	-165.8	63.9	-145.9	0	0	111.9	R894 I896 S897 T918 R919	R894-E916 PolarHBondContact O-N 3.07Å; I896-E916 HydrophobicContact CB-CG 4.48Å; I896-E916 HydrophobicContact CD1-CG 4.44Å; S897-E916 VanDerWaalsContact CB-OE2 3.24Å; S897-E916 WeakPolarHBondContact CB-OE2 3.34Å; S897-E916 PolarHBondContact N-OE2 2.73Å; S897-E916 VanDerWaalsContact OG-CD 3.25Å; S897-E916 PolarHBondContact OG-OE1 2.72Å; S897-E916 PolarHBondContact OG-OE2 3.19Å; E916-T918 VanDerWaalsContact C-N 3.28Å; E916-T918 PolarHBondContact O-N 3.33Å; E916-R919 IonicContact OE1-CZ 3.72Å; E916-R919 IonicContact OE1-NE 3.34Å; E916-R919 PolarHBondContact OE1-NE 2.94Å; E916-R919 IonicContact OE1-NH2 2.67Å; E916-R919 PolarHBondContact OE1-NH2 2.91Å; E916-R919 IonicContact OE2-NE 3.2Å
917	S	88.8	Confident	93.3	Very high	70 Å²	70	60.4 Å²	60.4	49%	0.49	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-22.7	-178.2	54.9	0	0	0	0	114.3	E760 Y915	E760-S917 PolarHBondContact OE2-OG 3.2Å; Y915-S917 VanDerWaalsContact C-N 3.27Å; Y915-S917 PolarHBondContact O-N 3.07Å
918	T	93.7	Very high	92.9	Very high	25 Å²	25	63.7 Å²	63.7	15%	0.153	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125	2.3	-173.9	58.2	0	0	0	0	113.7	Y915 E916 S937 F938 Q1116	Y915-T918 PolarHBondContact O-N 3.25Å; E916-T918 VanDerWaalsContact C-N 3.28Å; E916-T918 PolarHBondContact O-N 3.33Å; T918-S937 CarbonylContact O-C 3.45Å; T918-S937 WeakPolarHBondContact O-CA 3.46Å; T918-F938 PolarHBondContact O-N 3.18Å; T918-Q1116 HydrophobicContact CG2-CB 4.19Å; T918-Q1116 HydrophobicContact CG2-CG 4.34Å; T918-Q1116 PolarHBondContact OG1-O 3.5Å
919	R	97.1	Very high	92.6	Very high	34 Å²	34	68.7 Å²	68.7	13%	0.128	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	147.7	179.6	73.2	177.2	-178.5	98.9	-11.8	111.2	S897 P914 Y915 E916 C921 D932 A936	S897-R919 PolarHBondContact OG-NE 3.4Å; S897-R919 PolarHBondContact OG-NH2 3.04Å; P914-R919 HydrophobicContact CB-CB 4.06Å; P914-R919 HydrophobicContact CG-CB 4.24Å; Y915-R919 WeakPolarHBondContact O-CB 3.41Å; Y915-R919 PolarHBondContact O-N 3.47Å; E916-R919 IonicContact OE1-CZ 3.72Å; E916-R919 IonicContact OE1-NE 3.34Å; E916-R919 PolarHBondContact OE1-NE 2.94Å; E916-R919 IonicContact OE1-NH2 2.67Å; E916-R919 PolarHBondContact OE1-NH2 2.91Å; E916-R919 IonicContact OE2-NE 3.2Å; R919-C921 PolarHBondContact NH1-SG 3.32Å; R919-C921 PolarHBondContact O-N 3.17Å; R919-D932 IonicContact CZ-OD2 2.98Å; R919-D932 PolarHBondContact NH1-O 3.35Å; R919-D932 IonicContact NH1-OD2 3.46Å; R919-D932 PolarHBondContact NH1-OD2 2.86Å; R919-D932 IonicContact NH2-OD2 2.78Å; R919-D932 PolarHBondContact NH2-OD2 3Å; R919-A936 WeakPolarHBondContact CA-O 3.41Å
920	V	98.4	Very high	92.6	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	114.5	169.9	-175.5	0	0	0	0	108.3	I934 A936 F938 I949 M965 H969	V920-I934 HydrophobicContact CB-CG2 4.35Å; V920-A936 HydrophobicContact CB-CB 3.95Å; V920-A936 HydrophobicContact CG2-CB 3.77Å; V920-A936 PolarHBondContact N-O 2.76Å; V920-F938 HydrophobicContact CB-CE2 4.23Å; V920-F938 HydrophobicContact CG1-CE2 4.17Å; V920-F938 HydrophobicContact CG1-CZ 4.08Å; V920-F938 HydrophobicContact CG2-CD1 4.34Å; V920-F938 HydrophobicContact CG2-CD2 3.92Å; V920-F938 HydrophobicContact CG2-CE1 4.32Å; V920-F938 HydrophobicContact CG2-CE2 3.89Å; V920-F938 HydrophobicContact CG2-CG 4.16Å; V920-F938 HydrophobicContact CG2-CZ 4.09Å; V920-I949 HydrophobicContact CG2-CD1 4.47Å; V920-I949 HydrophobicContact CG2-CG1 4.16Å; V920-I949 HydrophobicContact CG2-CG2 3.91Å; V920-M965 HydrophobicContact CB-SD 4.46Å; V920-M965 HydrophobicContact CG1-CG 3.71Å; V920-M965 HydrophobicContact CG1-SD 4.16Å; V920-H969 WeakPolarHBondContact CG1-CD2 3.05Å; V920-H969 VanDerWaalsContact CG1-NE2 3.26Å; V920-H969 WeakPolarHBondContact CG1-NE2 3.43Å
921	C	97.8	Very high	92.9	Very high	58 Å²	58	60 Å²	60	39%	0.392	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	131.4	176.9	-52.3	0	0	0	0	110.2	R919 H969	R919-C921 PolarHBondContact NH1-SG 3.32Å; R919-C921 PolarHBondContact O-N 3.17Å; C921-H969 PolarHBondContact O-CE1 2.89Å; C921-H969 PolarHBondContact O-NE2 3.48Å
922	L	97.3	Very high	93.4	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.021	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-89.3	156.5	169	-53.2	-178.9	0	0	0	110.1	P924 D932 I934 D961 M965 E968	L922-P924 WeakPolarHBondContact O-CD 3.3Å; L922-D932 PolarHBondContact N-O 2.57Å; L922-D932 WeakPolarHBondContact O-CA 3.3Å; L922-D932 WeakPolarHBondContact O-CB 3.28Å; L922-I934 HydrophobicContact CD1-CB 4.13Å; L922-I934 HydrophobicContact CD1-CG2 4.19Å; L922-I934 HydrophobicContact CD2-CG2 4.05Å; L922-I934 HydrophobicContact CG-CB 4.46Å; L922-I934 HydrophobicContact CG-CG2 3.99Å; L922-D961 HydrophobicContact CD1-CB 3.93Å; L922-M965 HydrophobicContact CD2-CB 3.69Å; L922-M965 HydrophobicContact CD2-CG 4.07Å; L922-E968 VanDerWaalsContact CA-OE2 3.29Å; L922-E968 WeakPolarHBondContact CA-OE2 3.36Å
923	Q	95.3	Very high	93.7	Very high	135 Å²	135	55.9 Å²	55.9	63%	0.631	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-60.7	122.7	171.4	-69.3	-63.6	-40	0	0	109.5	I925 R964 E968	Q923-I925 PolarHBondContact O-N 2.93Å; Q923-R964 PolarHBondContact O-NH1 3.03Å; Q923-E968 HydrophobicContact CG-CG 4.47Å; Q923-E968 PolarHBondContact N-OE2 2.67Å
924	P	95	Very high	93.8	Very high	92 Å²	92	55.3 Å²	55.3	60%	0.597	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-61.7	132.5	-178.6	-21.3	30.8	0	0	0	111.8	L922 D932	L922-P924 WeakPolarHBondContact O-CD 3.3Å; P924-D932 HydrophobicContact CB-CB 4.45Å; P924-D932 HydrophobicContact CG-CB 4.05Å
925	I	89.1	Confident	94	Very high	45 Å²	45	55.3 Å²	55.3	23%	0.231	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-87.4	123.7	173	-57.7	171.4	0	0	0	107.9	Q923 G927 V928 S931 Q1001	Q923-I925 PolarHBondContact O-N 2.93Å; I925-G927 PolarHBondContact O-N 3.32Å; I925-V928 HydrophobicContact CB-CB 4.31Å; I925-V928 HydrophobicContact CB-CG2 4.42Å; I925-V928 HydrophobicContact CG2-CB 4.44Å; I925-V928 HydrophobicContact CG2-CG2 4Å; I925-V928 PolarHBondContact O-N 3.14Å; I925-V928 VanDerWaalsContact O-N 3.09Å; I925-S931 PolarHBondContact N-OG 2.92Å; I925-S931 PolarHBondContact O-OG 3.09Å; I925-Q1001 VanDerWaalsContact CD1-NE2 3.26Å
926	R	89.1	Confident	94.2	Very high	246 Å²	246	54.8 Å²	54.8	93%	0.928	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	129.9	-179.9	-67.6	-175.9	-175.3	178.8	1.8	110.7	V928	R926-V928 VanDerWaalsContact C-N 3.29Å; R926-V928 PolarHBondContact O-N 3.19Å
927	G	88.2	Confident	94.6	Very high	89 Å²	89	52 Å²	52	92%	0.918	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	-0.4	178.6	0	0	0	0	0	115.3	I925	I925-G927 PolarHBondContact O-N 3.32Å
928	V	89.7	Confident	95	Very high	82 Å²	82	49.8 Å²	49.8	50%	0.497	27%	0.27	S	S	.	.			trans	-118.2	100	178.1	-171.8	0	0	0	0	109.8	I925 R926 S931	I925-V928 HydrophobicContact CB-CB 4.31Å; I925-V928 HydrophobicContact CB-CG2 4.42Å; I925-V928 HydrophobicContact CG2-CB 4.44Å; I925-V928 HydrophobicContact CG2-CG2 4Å; I925-V928 PolarHBondContact O-N 3.14Å; I925-V928 VanDerWaalsContact O-N 3.09Å; R926-V928 VanDerWaalsContact C-N 3.29Å; R926-V928 PolarHBondContact O-N 3.19Å; V928-S931 VanDerWaalsContact O-CB 3.23Å; V928-S931 WeakPolarHBondContact O-CB 3.39Å; V928-S931 PolarHBondContact O-N 3.1Å; V928-S931 PolarHBondContact O-OG 3.14Å
929	E	90.3	Very high	95.2	Very high	154 Å²	154	48.6 Å²	48.6	72%	0.72	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	139.2	176.1	-169.7	179.7	-176	0	0	111.2	S931	E929-S931 PolarHBondContact O-N 3.05Å
930	G	91.8	Very high	95	Very high	7 Å²	7	48.1 Å²	48.1	7%	0.072	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	9.8	-177.4	0	0	0	0	0	114.8	N903 K906 D932 Y933	N903-G930 WeakPolarHBondContact OD1-CA 3.36Å; N903-G930 PolarHBondContact OD1-O 3.41Å; K906-G930 PolarHBondContact NZ-O 2.88Å; G930-D932 PolarHBondContact O-N 2.89Å; G930-Y933 WeakPolarHBondContact O-CB 3.3Å; G930-Y933 PolarHBondContact O-N 3.32Å
931	S	94.1	Very high	94.8	Very high	6 Å²	6	48.3 Å²	48.3	4%	0.042	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-9.3	174.7	59.9	0	0	0	0	114.1	I925 V928 E929 Y933 R964	I925-S931 PolarHBondContact N-OG 2.92Å; I925-S931 PolarHBondContact O-OG 3.09Å; V928-S931 VanDerWaalsContact O-CB 3.23Å; V928-S931 WeakPolarHBondContact O-CB 3.39Å; V928-S931 PolarHBondContact O-N 3.1Å; V928-S931 PolarHBondContact O-OG 3.14Å; E929-S931 PolarHBondContact O-N 3.05Å; S931-Y933 VanDerWaalsContact C-N 3.31Å; S931-R964 PolarHBondContact O-NH1 2.85Å; S931-R964 PolarHBondContact O-NH2 3.02Å
932	D	97.2	Very high	94.4	Very high	36 Å²	36	46.6 Å²	46.6	19%	0.193	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-5.1	172.3	76.1	-53.3	0	0	0	112.7	R919 L922 P924 G930	R919-D932 IonicContact CZ-OD2 2.98Å; R919-D932 PolarHBondContact NH1-O 3.35Å; R919-D932 IonicContact NH1-OD2 3.46Å; R919-D932 PolarHBondContact NH1-OD2 2.86Å; R919-D932 IonicContact NH2-OD2 2.78Å; R919-D932 PolarHBondContact NH2-OD2 3Å; L922-D932 PolarHBondContact N-O 2.57Å; L922-D932 WeakPolarHBondContact O-CA 3.3Å; L922-D932 WeakPolarHBondContact O-CB 3.28Å; P924-D932 HydrophobicContact CB-CB 4.45Å; P924-D932 HydrophobicContact CG-CB 4.05Å; G930-D932 PolarHBondContact O-N 2.89Å
933	Y	98.5	Very high	93.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	133.8	-172.3	179.8	-96.4	0	0	0	113.4	A898 N903 K906 N907 P914 G930 S931	A898-Y933 HydrophobicContact CB-CE2 3.71Å; A898-Y933 VanDerWaalsContact CB-OH 3.28Å; A898-Y933 WeakPolarHBondContact CB-OH 3.4Å; N903-Y933 HydrophobicContact CB-CD1 3.62Å; N903-Y933 HydrophobicContact CB-CE1 3.94Å; N903-Y933 HydrophobicContact CB-CG 4.06Å; N903-Y933 WeakPolarHBondContact ND2-CB 3.24Å; K906-Y933 HydrophobicContact CB-CD1 4.24Å; K906-Y933 HydrophobicContact CB-CE1 4.13Å; K906-Y933 HydrophobicContact CD-CD1 3.96Å; N907-Y933 PolarHBondContact OD1-OH 2.96Å; P914-Y933 WeakPolarHBondContact CD-OH 3.38Å; P914-Y933 HydrophobicContact CG-CE2 3.95Å; G930-Y933 WeakPolarHBondContact O-CB 3.3Å; G930-Y933 PolarHBondContact O-N 3.32Å; S931-Y933 VanDerWaalsContact C-N 3.31Å
934	I	98.6	Very high	93.5	Very high	7 Å²	7	48.8 Å²	48.8	4%	0.036	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	146.6	163.8	-176.1	165.3	0	0	0	108.9	V920 L922 A936 D961 F962 M965	V920-I934 HydrophobicContact CB-CG2 4.35Å; L922-I934 HydrophobicContact CD1-CB 4.13Å; L922-I934 HydrophobicContact CD1-CG2 4.19Å; L922-I934 HydrophobicContact CD2-CG2 4.05Å; L922-I934 HydrophobicContact CG-CB 4.46Å; L922-I934 HydrophobicContact CG-CG2 3.99Å; I934-A936 VanDerWaalsContact C-N 3.25Å; I934-A936 HydrophobicContact CG2-CB 4.12Å; I934-A936 PolarHBondContact O-N 3.28Å; I934-D961 HydrophobicContact CD1-CB 4.21Å; I934-F962 HydrophobicContact CD1-CB 4.37Å; I934-M965 HydrophobicContact CD1-CB 4.07Å; I934-M965 HydrophobicContact CD1-CG 4.46Å; I934-M965 HydrophobicContact CD1-SD 3.88Å; I934-M965 HydrophobicContact CG2-CG 4.33Å; I934-M965 HydrophobicContact CG2-SD 4.09Å
935	N	98.5	Very high	93.3	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	79.8	176.1	-168.1	-39.7	0	0	0	110.8	N907 I912 T951 Q952 R1117	N907-N935 PolarHBondContact OD1-ND2 2.94Å; I912-N935 PolarHBondContact O-ND2 2.88Å; N935-T951 PolarHBondContact O-OG1 2.88Å; N935-Q952 HydrophobicContact CB-CG 4.17Å; N935-Q952 PolarHBondContact ND2-OE1 2.88Å; N935-Q952 PolarHBondContact O-N 2.97Å; N935-R1117 PolarHBondContact OD1-NH1 3.48Å; N935-R1117 VanDerWaalsContact OD1-NH1 3.16Å; N935-R1117 PolarHBondContact OD1-NH2 3.11Å
936	A	98.7	Very high	93.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	147.4	-179.8	0	0	0	0	0	110.2	P914 R919 V920 I934 I949 A950 M965	P914-A936 WeakPolarHBondContact CB-O 3.22Å; R919-A936 WeakPolarHBondContact CA-O 3.41Å; V920-A936 HydrophobicContact CB-CB 3.95Å; V920-A936 HydrophobicContact CG2-CB 3.77Å; V920-A936 PolarHBondContact N-O 2.76Å; I934-A936 VanDerWaalsContact C-N 3.25Å; I934-A936 HydrophobicContact CG2-CB 4.12Å; I934-A936 PolarHBondContact O-N 3.28Å; A936-I949 HydrophobicContact CB-CG2 3.81Å; A936-A950 WeakPolarHBondContact CA-O 3.48Å; A936-M965 HydrophobicContact CB-SD 3.64Å
937	S	98.6	Very high	93.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.9	177.3	-54.6	0	0	0	0	109.8	P914 T918 I949 A950 R1117	P914-S937 VanDerWaalsContact CB-OG 3.26Å; P914-S937 WeakPolarHBondContact CB-OG 3.46Å; T918-S937 CarbonylContact O-C 3.45Å; T918-S937 WeakPolarHBondContact O-CA 3.46Å; S937-I949 WeakPolarHBondContact O-CA 3.4Å; S937-A950 PolarHBondContact N-O 2.88Å; S937-A950 PolarHBondContact O-N 2.86Å; S937-R1117 PolarHBondContact OG-NH1 2.86Å
938	F	98.3	Very high	94.4	Very high	25 Å²	25	37 Å²	37	11%	0.11	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	137.1	164.1	-75.3	-66.5	0	0	0	109.9	T918 V920 K946 I949 H969	T918-F938 PolarHBondContact O-N 3.18Å; V920-F938 HydrophobicContact CB-CE2 4.23Å; V920-F938 HydrophobicContact CG1-CE2 4.17Å; V920-F938 HydrophobicContact CG1-CZ 4.08Å; V920-F938 HydrophobicContact CG2-CD1 4.34Å; V920-F938 HydrophobicContact CG2-CD2 3.92Å; V920-F938 HydrophobicContact CG2-CE1 4.32Å; V920-F938 HydrophobicContact CG2-CE2 3.89Å; V920-F938 HydrophobicContact CG2-CG 4.16Å; V920-F938 HydrophobicContact CG2-CZ 4.09Å; F938-K946 HydrophobicContact CB-CB 4.25Å; F938-K946 HydrophobicContact CB-CD 4.4Å; F938-K946 HydrophobicContact CB-CG 3.95Å; F938-K946 HydrophobicContact CD1-CB 3.65Å; F938-K946 HydrophobicContact CD1-CD 3.98Å; F938-K946 HydrophobicContact CD1-CG 3.97Å; F938-K946 HydrophobicContact CD2-CD 4.18Å; F938-K946 HydrophobicContact CE1-CB 4.27Å; F938-K946 HydrophobicContact CE1-CD 4.25Å; F938-K946 HydrophobicContact CE2-CD 4.44Å; F938-K946 HydrophobicContact CG-CB 4.13Å; F938-K946 HydrophobicContact CG-CD 3.93Å; F938-K946 HydrophobicContact CG-CG 3.94Å; F938-K946 HydrophobicContact CZ-CD 4.47Å; F938-I949 HydrophobicContact CD1-CG1 3.95Å; F938-I949 HydrophobicContact CE1-CD1 4.12Å; F938-I949 HydrophobicContact CE1-CG1 3.87Å; F938-H969 AromaticContact CZ-CE1 3.89Å; F938-H969 AromaticContact CZ-ND1 3.52Å
939	I	97.3	Very high	94.8	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	129.5	178.8	-55.4	-66	0	0	0	109.2	K946 A947 Y948 A950 I1089 L1113 Q1116 R1117	I939-K946 CarbonylContact O-C 3.5Å; I939-A947 PolarHBondContact O-N 2.87Å; I939-Y948 PolarHBondContact N-O 2.83Å; I939-Y948 PolarHBondContact O-N 3.22Å; I939-A950 HydrophobicContact CD1-CB 4.25Å; I939-A950 HydrophobicContact CG1-CB 3.59Å; I939-I1089 HydrophobicContact CB-CD1 4.45Å; I939-I1089 HydrophobicContact CG1-CD1 4.36Å; I939-I1089 HydrophobicContact CG2-CD1 4.3Å; I939-I1089 HydrophobicContact CG2-CG2 3.88Å; I939-L1113 HydrophobicContact CG2-CD2 3.45Å; I939-L1113 VanDerWaalsContact CG2-CD2 3.45Å; I939-Q1116 VanDerWaalsContact CA-OE1 3.29Å; I939-Q1116 HydrophobicContact CD1-CB 3.67Å; I939-R1117 HydrophobicContact CD1-CB 3.8Å
940	D	94.1	Very high	95.2	Very high	24 Å²	24	25.7 Å²	25.7	13%	0.128	12%	0.121	C	C	.	.			trans	-68.7	140.2	175.1	-68.1	-11.2	0	0	0	111.1	A725 Q945 K946	A725-D940 HydrophobicContact CB-CB 4.47Å; D940-Q945 WeakPolarHBondContact OD1-CA 3.49Å; D940-Q945 WeakPolarHBondContact OD1-CB 3.13Å; D940-K946 PolarHBondContact OD1-N 3.12Å
941	G	93.1	Very high	95.5	Very high	4 Å²	4	25.4 Å²	25.4	4%	0.041	12%	0.118	C	C	.	.			trans	-94.7	-162.9	170.7	0	0	0	0	0	112	A725 Q944	A725-G941 VanDerWaalsContact CB-O 3.22Å; A725-G941 WeakPolarHBondContact CB-O 3.45Å; G941-Q944 PolarHBondContact N-O 3.08Å
942	Y	89.8	Confident	95.8	Very high	21 Å²	21	25.5 Å²	25.5	8%	0.082	12%	0.118	C	C	.	.	S	Bend	trans	-73.2	-46.5	176.1	177.9	-118.8	0	0	0	111.6	L724 A725 E1096 R1097 Y1100 E1101	L724-Y942 HydrophobicContact CD2-CD1 4.24Å; L724-Y942 HydrophobicContact CD2-CD2 4.36Å; L724-Y942 HydrophobicContact CD2-CE1 3.68Å; L724-Y942 HydrophobicContact CD2-CE2 3.8Å; L724-Y942 VanDerWaalsContact CD2-CZ 3.42Å; A725-Y942 PolarHBondContact N-O 3Å; Y942-E1096 HydrophobicContact CD1-CB 4.23Å; Y942-E1096 HydrophobicContact CD1-CG 3.7Å; Y942-E1096 HydrophobicContact CE1-CG 4.28Å; Y942-E1096 HydrophobicContact CG-CG 4.47Å; Y942-R1097 HydrophobicContact CD2-CB 3.9Å; Y942-R1097 HydrophobicContact CD2-CG 4.25Å; Y942-R1097 HydrophobicContact CE2-CB 3.71Å; Y942-R1097 HydrophobicContact CE2-CG 3.66Å; Y942-Y1100 HydrophobicContact CE1-CD2 4.16Å; Y942-E1101 WeakPolarHBondContact CE2-OE1 3.28Å; Y942-E1101 WeakPolarHBondContact OH-CG 3.49Å; Y942-E1101 PolarHBondContact OH-OE1 3.41Å
943	R	87.4	Confident	95.8	Very high	81 Å²	81	23.8 Å²	23.8	31%	0.306	11%	0.109	S	C	.	.	S	Bend	trans	-95.4	-28.6	-175.5	-65.6	-176.8	177.3	-88.9	-7.4	115.5	L724 A725 E1096 Y1100	L724-R943 CarbonylContact C-O 3.53Å; L724-R943 VanDerWaalsContact C-O 3.22Å; A725-R943 PolarHBondContact N-O 2.95Å; R943-E1096 VanDerWaalsContact CD-OE1 3.23Å; R943-E1096 WeakPolarHBondContact CD-OE1 3.26Å; R943-E1096 IonicContact CZ-OE1 2.95Å; R943-E1096 IonicContact NE-OE1 2.86Å; R943-E1096 PolarHBondContact NE-OE1 2.94Å; R943-Y1100 VanDerWaalsContact NH2-CD2 3.26Å
944	Q	86.8	Confident	95.8	Very high	104 Å²	104	24 Å²	24	49%	0.486	11%	0.11	S	C	.	.	S	Bend	trans	-134.9	140	-167.7	-66	174.9	-4.2	0	0	110.6	G941 A947	G941-Q944 PolarHBondContact N-O 3.08Å; Q944-A947 HydrophobicContact CB-CB 4.36Å
945	Q	89.3	Confident	95.8	Very high	89 Å²	89	24.7 Å²	24.7	42%	0.416	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	151.2	166.8	-63.3	-168.6	-42.2	0	0	110.2	A725 D940 A947	A725-Q945 HydrophobicContact CB-CG 4.49Å; A725-Q945 WeakPolarHBondContact O-CG 3.27Å; D940-Q945 WeakPolarHBondContact OD1-CA 3.49Å; D940-Q945 WeakPolarHBondContact OD1-CB 3.13Å; Q945-A947 PolarHBondContact O-N 2.79Å; Q945-A947 VanDerWaalsContact O-N 3.14Å
946	K	94.6	Very high	95.8	Very high	118 Å²	118	27.2 Å²	27.2	51%	0.513	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	31.9	-179.4	-50.7	-173.3	177.8	-177.4	0	113.3	F938 I939 D940 Y948 P1073	F938-K946 HydrophobicContact CB-CB 4.25Å; F938-K946 HydrophobicContact CB-CD 4.4Å; F938-K946 HydrophobicContact CB-CG 3.95Å; F938-K946 HydrophobicContact CD1-CB 3.65Å; F938-K946 HydrophobicContact CD1-CD 3.98Å; F938-K946 HydrophobicContact CD1-CG 3.97Å; F938-K946 HydrophobicContact CD2-CD 4.18Å; F938-K946 HydrophobicContact CE1-CB 4.27Å; F938-K946 HydrophobicContact CE1-CD 4.25Å; F938-K946 HydrophobicContact CE2-CD 4.44Å; F938-K946 HydrophobicContact CG-CB 4.13Å; F938-K946 HydrophobicContact CG-CD 3.93Å; F938-K946 HydrophobicContact CG-CG 3.94Å; F938-K946 HydrophobicContact CZ-CD 4.47Å; I939-K946 CarbonylContact O-C 3.5Å; D940-K946 PolarHBondContact OD1-N 3.12Å; K946-Y948 PolarHBondContact O-N 3Å; K946-P1073 WeakPolarHBondContact O-CB 3.5Å
947	A	96.4	Very high	95.7	Very high	11 Å²	11	33 Å²	33	9%	0.091	16%	0.162	C	C	.	.			trans	-67.5	-22.1	-179.7	0	0	0	0	0	112.9	I939 Q944 Q945 P1073 I1074	I939-A947 PolarHBondContact O-N 2.87Å; Q944-A947 HydrophobicContact CB-CB 4.36Å; Q945-A947 PolarHBondContact O-N 2.79Å; Q945-A947 VanDerWaalsContact O-N 3.14Å; A947-P1073 CarbonylContact O-C 3.56Å; A947-P1073 VanDerWaalsContact O-CA 3.26Å; A947-P1073 WeakPolarHBondContact O-CA 3.32Å; A947-I1074 PolarHBondContact O-N 3.34Å
948	Y	98.6	Very high	95.7	Very high	6 Å²	6	33.2 Å²	33.2	2%	0.024	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	154.5	178.2	-49.1	-91.7	0	0	0	111.6	I939 K946 H1062 I1074 V1076 F1088 I1089 S1092	I939-Y948 PolarHBondContact N-O 2.83Å; I939-Y948 PolarHBondContact O-N 3.22Å; K946-Y948 PolarHBondContact O-N 3Å; Y948-H1062 PolarHBondContact OH-CE1 2.77Å; Y948-I1074 CarbonylContact C-O 3.56Å; Y948-I1074 WeakPolarHBondContact CA-O 3.47Å; Y948-I1074 HydrophobicContact CD1-CB 3.84Å; Y948-I1074 HydrophobicContact CD1-CD1 4.4Å; Y948-I1074 HydrophobicContact CD1-CG2 4.38Å; Y948-I1074 HydrophobicContact CE1-CB 4.26Å; Y948-I1074 HydrophobicContact CE1-CD1 3.95Å; Y948-V1076 HydrophobicContact CD1-CG2 4Å; Y948-F1088 HydrophobicContact CE1-CE1 4.27Å; Y948-I1089 HydrophobicContact CD1-CG1 4.19Å; Y948-I1089 HydrophobicContact CD2-CG2 3.86Å; Y948-I1089 HydrophobicContact CE2-CG2 4Å; Y948-I1089 HydrophobicContact CG-CD1 4.27Å; Y948-I1089 HydrophobicContact CG-CG1 4.13Å; Y948-I1089 HydrophobicContact CG-CG2 4.33Å; Y948-S1092 WeakPolarHBondContact OH-CB 3.46Å
949	I	98.9	Very high	95.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	111.2	161.6	-67.7	169.1	0	0	0	107.4	V920 A936 S937 F938 M965 H969 P1073 I1074 S1075 V1076	V920-I949 HydrophobicContact CG2-CD1 4.47Å; V920-I949 HydrophobicContact CG2-CG1 4.16Å; V920-I949 HydrophobicContact CG2-CG2 3.91Å; A936-I949 HydrophobicContact CB-CG2 3.81Å; S937-I949 WeakPolarHBondContact O-CA 3.4Å; F938-I949 HydrophobicContact CD1-CG1 3.95Å; F938-I949 HydrophobicContact CE1-CD1 4.12Å; F938-I949 HydrophobicContact CE1-CG1 3.87Å; I949-M965 HydrophobicContact CD1-CE 4.42Å; I949-M965 HydrophobicContact CD1-SD 4.49Å; I949-M965 HydrophobicContact CG2-CE 3.83Å; I949-M965 HydrophobicContact CG2-SD 3.78Å; I949-H969 HydrophobicContact CD1-CB 4.1Å; I949-P1073 HydrophobicContact CD1-CB 4.22Å; I949-P1073 HydrophobicContact CD1-CG 3.66Å; I949-P1073 HydrophobicContact CG1-CB 3.99Å; I949-P1073 HydrophobicContact CG1-CG 3.98Å; I949-I1074 PolarHBondContact N-O 2.95Å; I949-S1075 CarbonylContact O-C 3.59Å; I949-S1075 WeakPolarHBondContact O-CA 3.43Å; I949-V1076 PolarHBondContact O-N 2.78Å
950	A	98.9	Very high	95.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	114.4	172.1	0	0	0	0	0	109.4	A936 S937 I939 T1085 I1089 M1120	A936-A950 WeakPolarHBondContact CA-O 3.48Å; S937-A950 PolarHBondContact N-O 2.88Å; S937-A950 PolarHBondContact O-N 2.86Å; I939-A950 HydrophobicContact CD1-CB 4.25Å; I939-A950 HydrophobicContact CG1-CB 3.59Å; A950-T1085 HydrophobicContact CB-CG2 3.72Å; A950-I1089 HydrophobicContact CB-CD1 4.08Å; A950-M1120 HydrophobicContact CB-CE 4.13Å
951	T	98.9	Very high	95.9	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	160.2	-175.7	-172.7	0	0	0	0	112.2	N935 F962 M965 V1076 H1077 G1081	N935-T951 PolarHBondContact O-OG1 2.88Å; T951-F962 HydrophobicContact CG2-CD2 4.43Å; T951-F962 HydrophobicContact CG2-CE2 3.85Å; T951-M965 HydrophobicContact CG2-CE 4.32Å; T951-V1076 PolarHBondContact N-O 2.83Å; T951-H1077 HydrophobicContact CG2-CB 3.83Å; T951-H1077 VanDerWaalsContact O-CA 3.24Å; T951-H1077 WeakPolarHBondContact O-CA 3.31Å; T951-H1077 WeakPolarHBondContact O-CB 3.46Å; T951-G1081 WeakPolarHBondContact O-CA 3.4Å
952	Q	98.5	Very high	96.2	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.037	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-70.4	158.7	173.6	72.2	-178.7	27	0	0	111.1	K906 N935 P954 S1079	K906-Q952 PolarHBondContact O-NE2 2.77Å; N935-Q952 HydrophobicContact CB-CG 4.17Å; N935-Q952 PolarHBondContact ND2-OE1 2.88Å; N935-Q952 PolarHBondContact O-N 2.97Å; Q952-P954 WeakPolarHBondContact O-CD 3.5Å; Q952-S1079 WeakPolarHBondContact CB-O 3.35Å
953	G	98.6	Very high	96.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-62.6	125.1	167.8	0	0	0	0	0	109	R908 C1078 S1079	R908-G953 PolarHBondContact NE-O 3.38Å; G953-C1078 WeakPolarHBondContact CA-O 3.35Å; G953-C1078 PolarHBondContact N-O 2.93Å; G953-S1079 PolarHBondContact N-O 3.15Å
954	P	98.6	Very high	97.1	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.019	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-50.7	146.5	-174	-32.7	37.5	0	0	0	113.5	R908 Q952 F962 H989 Y991	R908-P954 PolarHBondContact NH2-O 3.37Å; Q952-P954 WeakPolarHBondContact O-CD 3.5Å; P954-F962 HydrophobicContact CB-CB 4.48Å; P954-F962 HydrophobicContact CG-CB 4.04Å; P954-F962 HydrophobicContact CG-CD1 4.02Å; P954-F962 HydrophobicContact CG-CD2 3.61Å; P954-F962 HydrophobicContact CG-CE1 4.39Å; P954-F962 HydrophobicContact CG-CE2 4Å; P954-F962 HydrophobicContact CG-CG 3.61Å; P954-F962 HydrophobicContact CG-CZ 4.38Å; P954-H989 VanDerWaalsContact O-CB 3.28Å; P954-H989 WeakPolarHBondContact O-CB 3.3Å; P954-H989 PolarHBondContact O-N 3.12Å; P954-Y991 HydrophobicContact CB-CD1 4.22Å; P954-Y991 HydrophobicContact CB-CG 4.42Å; P954-Y991 HydrophobicContact CG-CD1 3.7Å; P954-Y991 HydrophobicContact CG-CE1 4.28Å; P954-Y991 HydrophobicContact CG-CG 4Å
955	L	98.3	Very high	97.7	Very high	23 Å²	23	26.7 Å²	26.7	12%	0.12	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-91.5	165.3	165.3	-57.2	165	0	0	0	108.3	R908 E957 T958 T959	R908-L955 HydrophobicContact CB-CD2 4.1Å; R908-L955 HydrophobicContact CG-CD2 4.23Å; L955-E957 WeakPolarHBondContact CB-OE2 3.41Å; L955-E957 PolarHBondContact O-N 3.04Å; L955-T958 WeakPolarHBondContact CB-OG1 3.43Å; L955-T958 PolarHBondContact N-OG1 2.92Å; L955-T958 PolarHBondContact O-N 3.35Å; L955-T958 PolarHBondContact O-OG1 3.39Å; L955-T959 PolarHBondContact O-N 3.37Å; L955-T959 VanDerWaalsContact O-N 3.09Å; L955-T959 PolarHBondContact O-OG1 3.48Å
956	A	97.3	Very high	98.1	Very high	54 Å²	54	22.7 Å²	22.7	45%	0.446	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	-57.1	-42.8	173	0	0	0	0	0	110.5	T958 T959	A956-T958 VanDerWaalsContact C-N 3.26Å; A956-T958 PolarHBondContact O-N 3.02Å; A956-T959 PolarHBondContact O-N 2.59Å
957	E	96.9	Very high	98.3	Very high	122 Å²	122	18.1 Å²	18.1	57%	0.57	10%	0.097	S	C	*	.	G	3₁₀ helix	trans	-70.3	-16.7	-178.5	-56.6	77.3	-170.8	0	0	113.8	F905 L955	F905-E957 HydrophobicContact CD2-CB 4.28Å; F905-E957 HydrophobicContact CE2-CB 4.25Å; L955-E957 WeakPolarHBondContact CB-OE2 3.41Å; L955-E957 PolarHBondContact O-N 3.04Å
958	T	98.3	Very high	98.3	Very high	4 Å²	4	20 Å²	20	3%	0.025	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-117.1	6.4	-177.1	53.6	0	0	0	0	112.9	K906 L955 A956 E960 D961 F962	K906-T958 HydrophobicContact CB-CG2 3.73Å; K906-T958 HydrophobicContact CG-CG2 3.99Å; L955-T958 WeakPolarHBondContact CB-OG1 3.43Å; L955-T958 PolarHBondContact N-OG1 2.92Å; L955-T958 PolarHBondContact O-N 3.35Å; L955-T958 PolarHBondContact O-OG1 3.39Å; A956-T958 VanDerWaalsContact C-N 3.26Å; A956-T958 PolarHBondContact O-N 3.02Å; T958-E960 VanDerWaalsContact C-N 3.33Å; T958-E960 PolarHBondContact O-N 2.91Å; T958-D961 PolarHBondContact O-N 3.32Å; T958-F962 WeakPolarHBondContact O-CB 3.37Å; T958-F962 PolarHBondContact O-N 3.14Å
959	T	98.6	Very high	98.3	Very high	4 Å²	4	22 Å²	22	3%	0.025	11%	0.113	C	C	.	.	H	α-helix	trans	-63.9	-38	180	-70.6	0	0	0	0	111.7	L955 A956 F962 W963 H989 Y1000	L955-T959 PolarHBondContact O-N 3.37Å; L955-T959 VanDerWaalsContact O-N 3.09Å; L955-T959 PolarHBondContact O-OG1 3.48Å; A956-T959 PolarHBondContact O-N 2.59Å; T959-F962 PolarHBondContact O-N 2.92Å; T959-W963 PolarHBondContact O-N 2.94Å; T959-H989 PolarHBondContact OG1-ND1 3.11Å; T959-Y1000 HydrophobicContact CG2-CD1 3.67Å; T959-Y1000 HydrophobicContact CG2-CE1 3.55Å; T959-Y1000 HydrophobicContact CG2-CG 4.45Å
960	E	98.1	Very high	98.2	Very high	91 Å²	91	26 Å²	26	43%	0.425	13%	0.134	S	C	.	.	H	α-helix	trans	-67.7	-45.2	175.2	-57.9	-166.2	146.5	0	0	112	T958 F962 W963 R964 Q1001	T958-E960 VanDerWaalsContact C-N 3.33Å; T958-E960 PolarHBondContact O-N 2.91Å; E960-F962 PolarHBondContact O-N 3.36Å; E960-W963 PolarHBondContact O-N 3.44Å; E960-R964 WeakPolarHBondContact O-CB 3.3Å; E960-R964 PolarHBondContact O-N 3.28Å; E960-Q1001 HydrophobicContact CB-CB 4.34Å; E960-Q1001 PolarHBondContact OE1-N 3.28Å
961	D	98.4	Very high	98.1	Very high	18 Å²	18	26 Å²	26	10%	0.096	14%	0.135	C	C	.	.	H	α-helix	trans	-58.7	-36.6	175.6	-74.3	-23.9	0	0	0	111.5	K906 L922 I934 T958 R964 M965	K906-D961 IonicContact NZ-OD2 3.11Å; K906-D961 PolarHBondContact NZ-OD2 2.74Å; L922-D961 HydrophobicContact CD1-CB 3.93Å; I934-D961 HydrophobicContact CD1-CB 4.21Å; T958-D961 PolarHBondContact O-N 3.32Å; D961-R964 PolarHBondContact O-N 3.32Å; D961-R964 IonicContact OD1-CZ 3.19Å; D961-R964 IonicContact OD1-NE 3.96Å; D961-R964 IonicContact OD1-NH2 2.74Å; D961-R964 PolarHBondContact OD1-NH2 3.04Å; D961-M965 WeakPolarHBondContact O-CB 3.49Å; D961-M965 PolarHBondContact O-N 3.03Å
962	F	98.8	Very high	98.1	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.009	14%	0.138	C	C	.	.	H	α-helix	trans	-64.6	-49.7	177.9	-177.8	-97.6	0	0	0	112.4	I934 T951 P954 T958 T959 E960 R964 M965 L966 V974 Y991	I934-F962 HydrophobicContact CD1-CB 4.37Å; T951-F962 HydrophobicContact CG2-CD2 4.43Å; T951-F962 HydrophobicContact CG2-CE2 3.85Å; P954-F962 HydrophobicContact CB-CB 4.48Å; P954-F962 HydrophobicContact CG-CB 4.04Å; P954-F962 HydrophobicContact CG-CD1 4.02Å; P954-F962 HydrophobicContact CG-CD2 3.61Å; P954-F962 HydrophobicContact CG-CE1 4.39Å; P954-F962 HydrophobicContact CG-CE2 4Å; P954-F962 HydrophobicContact CG-CG 3.61Å; P954-F962 HydrophobicContact CG-CZ 4.38Å; T958-F962 WeakPolarHBondContact O-CB 3.37Å; T958-F962 PolarHBondContact O-N 3.14Å; T959-F962 PolarHBondContact O-N 2.92Å; E960-F962 PolarHBondContact O-N 3.36Å; F962-R964 VanDerWaalsContact C-N 3.29Å; F962-R964 PolarHBondContact O-N 3.19Å; F962-M965 HydrophobicContact CD2-CE 4.08Å; F962-M965 HydrophobicContact CE2-CE 4.05Å; F962-M965 WeakPolarHBondContact O-CB 3.33Å; F962-M965 PolarHBondContact O-N 3.45Å; F962-L966 HydrophobicContact CD1-CD1 4.16Å; F962-L966 HydrophobicContact CD1-CG 4.5Å; F962-L966 HydrophobicContact CE1-CD1 3.65Å; F962-L966 HydrophobicContact CE1-CG 4.19Å; F962-L966 HydrophobicContact CZ-CD1 4.2Å; F962-L966 HydrophobicContact CZ-CD2 4.33Å; F962-L966 HydrophobicContact CZ-CG 4.45Å; F962-L966 WeakPolarHBondContact O-CG 3.22Å; F962-L966 PolarHBondContact O-N 2.9Å; F962-L966 VanDerWaalsContact O-N 3.08Å; F962-V974 HydrophobicContact CZ-CG1 4.04Å; F962-Y991 AromaticContact CD1-CD2 3.81Å; F962-Y991 HydrophobicContact CD1-CD2 3.81Å; F962-Y991 HydrophobicContact CD1-CE2 4.14Å; F962-Y991 HydrophobicContact CD1-CG 4.28Å; F962-Y991 AromaticContact CE1-CD2 3.59Å; F962-Y991 HydrophobicContact CE1-CD2 3.59Å; F962-Y991 AromaticContact CE1-CE2 3.42Å; F962-Y991 HydrophobicContact CE1-CE2 3.42Å; F962-Y991 VanDerWaalsContact CE1-CE2 3.42Å; F962-Y991 HydrophobicContact CE1-CG 4.29Å; F962-Y991 HydrophobicContact CZ-CE2 4.15Å
963	W	98.7	Very high	98.1	Very high	3 Å²	3	26.4 Å²	26.4	1%	0.011	14%	0.137	C	C	.	.	H	α-helix	trans	-64.5	-36.5	176.6	-76.5	108.9	0	0	0	112.4	T959 E960 L966 W967 Y991 W992 Y1000 F1003 V1005 F1021 V1023 V1034	T959-W963 PolarHBondContact O-N 2.94Å; E960-W963 PolarHBondContact O-N 3.44Å; W963-L966 HydrophobicContact CE3-CD1 3.8Å; W963-L966 HydrophobicContact CZ3-CD1 3.92Å; W963-L966 PolarHBondContact O-N 3.18Å; W963-W967 PolarHBondContact O-N 3.38Å; W963-W967 VanDerWaalsContact O-N 3.08Å; W963-Y991 HydrophobicContact CZ2-CD2 4.01Å; W963-Y991 HydrophobicContact CZ2-CE2 4.4Å; W963-Y991 PolarHBondContact NE1-O 2.79Å; W963-W992 HydrophobicContact CZ2-CB 4.37Å; W963-Y1000 AromaticContact CD1-CD2 3.43Å; W963-Y1000 VanDerWaalsContact CD1-CD2 3.43Å; W963-Y1000 AromaticContact CD1-CE2 3.91Å; W963-Y1000 AromaticContact CD1-CG 3.69Å; W963-Y1000 HydrophobicContact CG-CD2 4.15Å; W963-Y1000 AromaticContact NE1-CD2 3.52Å; W963-Y1000 AromaticContact NE1-CE2 3.5Å; W963-F1003 HydrophobicContact CB-CD2 4.43Å; W963-V1005 HydrophobicContact CD2-CG2 3.82Å; W963-V1005 HydrophobicContact CE3-CG2 3.99Å; W963-V1005 HydrophobicContact CG-CG2 4.34Å; W963-V1005 HydrophobicContact CH2-CG1 3.73Å; W963-V1005 HydrophobicContact CH2-CG2 4.26Å; W963-V1005 HydrophobicContact CZ2-CG1 3.8Å; W963-V1005 HydrophobicContact CZ2-CG2 4.09Å; W963-V1005 HydrophobicContact CZ3-CG1 4.28Å; W963-V1005 HydrophobicContact CZ3-CG2 4.21Å; W963-F1021 HydrophobicContact CH2-CD2 4.19Å; W963-F1021 HydrophobicContact CH2-CG 4.35Å; W963-V1023 HydrophobicContact CE3-CG2 4.1Å; W963-V1023 HydrophobicContact CH2-CG2 4.45Å; W963-V1023 HydrophobicContact CZ3-CG2 3.63Å; W963-V1034 HydrophobicContact CZ3-CB 4.39Å; W963-V1034 HydrophobicContact CZ3-CG1 4.15Å
964	R	98.1	Very high	98.1	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.015	14%	0.138	C	C	.	.	H	α-helix	trans	-61.6	-43.4	173.3	-175.1	160.2	60.2	119.4	-0.5	112.1	Q923 S931 E960 D961 F962 L966 W967 E968 F1003	Q923-R964 PolarHBondContact O-NH1 3.03Å; S931-R964 PolarHBondContact O-NH1 2.85Å; S931-R964 PolarHBondContact O-NH2 3.02Å; E960-R964 WeakPolarHBondContact O-CB 3.3Å; E960-R964 PolarHBondContact O-N 3.28Å; D961-R964 PolarHBondContact O-N 3.32Å; D961-R964 IonicContact OD1-CZ 3.19Å; D961-R964 IonicContact OD1-NE 3.96Å; D961-R964 IonicContact OD1-NH2 2.74Å; D961-R964 PolarHBondContact OD1-NH2 3.04Å; F962-R964 VanDerWaalsContact C-N 3.29Å; F962-R964 PolarHBondContact O-N 3.19Å; R964-L966 PolarHBondContact O-N 2.83Å; R964-W967 PolarHBondContact O-N 3.06Å; R964-E968 WeakPolarHBondContact CD-OE1 3.48Å; R964-E968 HydrophobicContact CG-CG 4.16Å; R964-E968 WeakPolarHBondContact CG-OE1 3.4Å; R964-E968 WeakPolarHBondContact O-CB 3.29Å; R964-E968 WeakPolarHBondContact O-CG 3.38Å; R964-E968 PolarHBondContact O-N 3.49Å; R964-F1003 VanDerWaalsContact CA-CE2 3.49Å; R964-F1003 HydrophobicContact CB-CE2 3.75Å; R964-F1003 HydrophobicContact CG-CE2 4.04Å; R964-F1003 HydrophobicContact CG-CZ 4.48Å
965	M	98.6	Very high	98.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-57.2	-48.1	174.3	-172	-166.3	68.7	0	0	111.8	V920 L922 I934 A936 I949 T951 D961 F962 W967 H969	V920-M965 HydrophobicContact CB-SD 4.46Å; V920-M965 HydrophobicContact CG1-CG 3.71Å; V920-M965 HydrophobicContact CG1-SD 4.16Å; L922-M965 HydrophobicContact CD2-CB 3.69Å; L922-M965 HydrophobicContact CD2-CG 4.07Å; I934-M965 HydrophobicContact CD1-CB 4.07Å; I934-M965 HydrophobicContact CD1-CG 4.46Å; I934-M965 HydrophobicContact CD1-SD 3.88Å; I934-M965 HydrophobicContact CG2-CG 4.33Å; I934-M965 HydrophobicContact CG2-SD 4.09Å; A936-M965 HydrophobicContact CB-SD 3.64Å; I949-M965 HydrophobicContact CD1-CE 4.42Å; I949-M965 HydrophobicContact CD1-SD 4.49Å; I949-M965 HydrophobicContact CG2-CE 3.83Å; I949-M965 HydrophobicContact CG2-SD 3.78Å; T951-M965 HydrophobicContact CG2-CE 4.32Å; D961-M965 WeakPolarHBondContact O-CB 3.49Å; D961-M965 PolarHBondContact O-N 3.03Å; F962-M965 HydrophobicContact CD2-CE 4.08Å; F962-M965 HydrophobicContact CE2-CE 4.05Å; F962-M965 WeakPolarHBondContact O-CB 3.33Å; F962-M965 PolarHBondContact O-N 3.45Å; M965-W967 VanDerWaalsContact C-N 3.29Å; M965-W967 PolarHBondContact O-N 2.62Å; M965-H969 WeakPolarHBondContact O-CB 3.41Å; M965-H969 PolarHBondContact O-CD2 2.62Å; M965-H969 PolarHBondContact O-N 3.43Å; M965-H969 VanDerWaalsContact O-N 3.11Å
966	L	98.5	Very high	98.1	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-59.3	-43	179.1	-64.3	-177	0	0	0	111.5	F962 W963 R964 N970 S971 V974 V1034 S1075	F962-L966 HydrophobicContact CD1-CD1 4.16Å; F962-L966 HydrophobicContact CD1-CG 4.5Å; F962-L966 HydrophobicContact CE1-CD1 3.65Å; F962-L966 HydrophobicContact CE1-CG 4.19Å; F962-L966 HydrophobicContact CZ-CD1 4.2Å; F962-L966 HydrophobicContact CZ-CD2 4.33Å; F962-L966 HydrophobicContact CZ-CG 4.45Å; F962-L966 WeakPolarHBondContact O-CG 3.22Å; F962-L966 PolarHBondContact O-N 2.9Å; F962-L966 VanDerWaalsContact O-N 3.08Å; W963-L966 HydrophobicContact CE3-CD1 3.8Å; W963-L966 HydrophobicContact CZ3-CD1 3.92Å; W963-L966 PolarHBondContact O-N 3.18Å; R964-L966 PolarHBondContact O-N 2.83Å; L966-N970 CarbonylContact O-C 3.6Å; L966-N970 PolarHBondContact O-N 3.12Å; L966-S971 PolarHBondContact O-N 3.3Å; L966-V974 HydrophobicContact CD1-CG2 3.63Å; L966-V974 HydrophobicContact CD2-CG2 3.93Å; L966-V974 HydrophobicContact CG-CG2 4.46Å; L966-V1034 HydrophobicContact CD1-CG1 4.41Å; L966-S1075 WeakPolarHBondContact CD2-OG 3.18Å
967	W	97.9	Very high	98.2	Very high	23 Å²	23	22.7 Å²	22.7	9%	0.087	11%	0.11	C	C	.	.	H	α-helix	trans	-68.3	-53.9	179.2	-170.9	-91.7	0	0	0	112.9	W963 R964 M965 H969 N970 F1003 V1023 D1025 Q1030 R1032	W963-W967 PolarHBondContact O-N 3.38Å; W963-W967 VanDerWaalsContact O-N 3.08Å; R964-W967 PolarHBondContact O-N 3.06Å; M965-W967 VanDerWaalsContact C-N 3.29Å; M965-W967 PolarHBondContact O-N 2.62Å; W967-H969 PolarHBondContact O-N 2.67Å; W967-N970 PolarHBondContact O-N 3.19Å; W967-N970 VanDerWaalsContact O-N 3.14Å; W967-N970 PolarHBondContact O-OD1 2.83Å; W967-F1003 HydrophobicContact CB-CD1 4.29Å; W967-F1003 HydrophobicContact CB-CE1 3.6Å; W967-F1003 HydrophobicContact CB-CE2 4.49Å; W967-F1003 HydrophobicContact CB-CZ 3.71Å; W967-F1003 AromaticContact CD1-CE1 3.52Å; W967-F1003 AromaticContact CD1-CZ 3.85Å; W967-F1003 HydrophobicContact CD2-CD1 4.05Å; W967-F1003 AromaticContact CD2-CE1 3.57Å; W967-F1003 HydrophobicContact CD2-CE1 3.57Å; W967-F1003 HydrophobicContact CD2-CZ 4.49Å; W967-F1003 HydrophobicContact CE3-CD1 4.2Å; W967-F1003 HydrophobicContact CE3-CE1 4.18Å; W967-F1003 HydrophobicContact CG-CD1 4.09Å; W967-F1003 AromaticContact CG-CE1 3.26Å; W967-F1003 HydrophobicContact CG-CE1 3.26Å; W967-F1003 AromaticContact CG-CZ 3.74Å; W967-F1003 HydrophobicContact CG-CZ 3.74Å; W967-F1003 AromaticContact NE1-CE1 3.91Å; W967-V1023 HydrophobicContact CE3-CG1 3.98Å; W967-V1023 HydrophobicContact CZ3-CB 4.39Å; W967-V1023 HydrophobicContact CZ3-CG1 4.13Å; W967-D1025 HydrophobicContact CH2-CB 4Å; W967-D1025 HydrophobicContact CZ2-CB 3.57Å; W967-Q1030 HydrophobicContact CH2-CB 4.1Å; W967-Q1030 WeakPolarHBondContact CH2-O 3.47Å; W967-Q1030 HydrophobicContact CZ2-CB 4.03Å; W967-R1032 HydrophobicContact CE3-CG 4.38Å; W967-R1032 HydrophobicContact CH2-CG 3.88Å; W967-R1032 HydrophobicContact CZ3-CB 4.01Å; W967-R1032 HydrophobicContact CZ3-CG 3.65Å; W967-R1032 PolarHBondContact O-NH1 3.18Å
968	E	97.4	Very high	98.2	Very high	50 Å²	50	17 Å²	17	23%	0.234	8%	0.083	C	C	.	.	H	α-helix	trans	-63.6	-30.5	-174.8	-70.7	179.3	-174.1	0	0	112.8	L922 Q923 R964	L922-E968 VanDerWaalsContact CA-OE2 3.29Å; L922-E968 WeakPolarHBondContact CA-OE2 3.36Å; Q923-E968 HydrophobicContact CG-CG 4.47Å; Q923-E968 PolarHBondContact N-OE2 2.67Å; R964-E968 WeakPolarHBondContact CD-OE1 3.48Å; R964-E968 HydrophobicContact CG-CG 4.16Å; R964-E968 WeakPolarHBondContact CG-OE1 3.4Å; R964-E968 WeakPolarHBondContact O-CB 3.29Å; R964-E968 WeakPolarHBondContact O-CG 3.38Å; R964-E968 PolarHBondContact O-N 3.49Å
969	H	97.3	Very high	98.2	Very high	47 Å²	47	20.6 Å²	20.6	22%	0.218	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	14.9	179.2	-63.9	-70	0	0	0	113.5	V920 C921 F938 I949 M965 W967 S971 P1073	V920-H969 WeakPolarHBondContact CG1-CD2 3.05Å; V920-H969 VanDerWaalsContact CG1-NE2 3.26Å; V920-H969 WeakPolarHBondContact CG1-NE2 3.43Å; C921-H969 PolarHBondContact O-CE1 2.89Å; C921-H969 PolarHBondContact O-NE2 3.48Å; F938-H969 AromaticContact CZ-CE1 3.89Å; F938-H969 AromaticContact CZ-ND1 3.52Å; I949-H969 HydrophobicContact CD1-CB 4.1Å; M965-H969 WeakPolarHBondContact O-CB 3.41Å; M965-H969 PolarHBondContact O-CD2 2.62Å; M965-H969 PolarHBondContact O-N 3.43Å; M965-H969 VanDerWaalsContact O-N 3.11Å; W967-H969 PolarHBondContact O-N 2.67Å; H969-S971 PolarHBondContact O-N 2.9Å; H969-S971 VanDerWaalsContact O-N 3.09Å; H969-P1073 WeakPolarHBondContact O-CD 3.37Å
970	N	96.9	Very high	98.1	Very high	85 Å²	85	22.9 Å²	22.9	46%	0.455	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	30	178.5	-62.3	-25.7	0	0	0	114.4	L966 W967 T972 R1032 G1072	L966-N970 CarbonylContact O-C 3.6Å; L966-N970 PolarHBondContact O-N 3.12Å; W967-N970 PolarHBondContact O-N 3.19Å; W967-N970 VanDerWaalsContact O-N 3.14Å; W967-N970 PolarHBondContact O-OD1 2.83Å; N970-T972 PolarHBondContact O-N 3.11Å; N970-R1032 VanDerWaalsContact OD1-CZ 3.24Å; N970-R1032 PolarHBondContact OD1-NH1 3.05Å; N970-R1032 PolarHBondContact OD1-NH2 3.26Å; N970-G1072 WeakPolarHBondContact O-CA 3.42Å
971	S	98.1	Very high	98	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.007	12%	0.12	C	C	.	.			trans	-83.6	110.4	177.6	-169.9	0	0	0	0	110.8	L966 H969 P1073 S1075	L966-S971 PolarHBondContact O-N 3.3Å; H969-S971 PolarHBondContact O-N 2.9Å; H969-S971 VanDerWaalsContact O-N 3.09Å; S971-P1073 WeakPolarHBondContact CB-O 3.47Å; S971-P1073 PolarHBondContact OG-O 3.15Å; S971-S1075 WeakPolarHBondContact CB-OG 3.33Å; S971-S1075 WeakPolarHBondContact OG-CB 3.33Å; S971-S1075 PolarHBondContact OG-N 2.9Å; S971-S1075 PolarHBondContact OG-OG 3.47Å
972	T	98.1	Very high	97.8	Very high	11 Å²	11	26 Å²	26	7%	0.067	12%	0.117	C	C	.	.			trans	-110.1	-2	-177.4	54.4	0	0	0	0	113.2	N970 V1034 R1035 Q1070	N970-T972 PolarHBondContact O-N 3.11Å; T972-V1034 CarbonylContact O-C 3.5Å; T972-V1034 WeakPolarHBondContact O-CA 3.19Å; T972-R1035 PolarHBondContact O-N 3.21Å; T972-Q1070 PolarHBondContact OG1-OE1 2.78Å
973	I	98.7	Very high	97.5	Very high	5 Å²	5	30.5 Å²	30.5	3%	0.026	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	122.5	175.7	-60.6	178.1	0	0	0	108.2	R1035 F1037 V1061 K1065 I1074 S1075	I973-R1035 CarbonylContact C-O 3.59Å; I973-R1035 WeakPolarHBondContact CA-O 3.22Å; I973-F1037 HydrophobicContact CG2-CD2 4.14Å; I973-F1037 HydrophobicContact CG2-CE2 4.27Å; I973-V1061 HydrophobicContact CG2-CG1 4Å; I973-K1065 HydrophobicContact CD1-CB 3.57Å; I973-K1065 HydrophobicContact CD1-CG 4.2Å; I973-I1074 HydrophobicContact CB-CG1 4.37Å; I973-I1074 HydrophobicContact CB-CG2 4.49Å; I973-I1074 HydrophobicContact CG2-CG1 4.4Å; I973-I1074 HydrophobicContact CG2-CG2 4.03Å; I973-S1075 PolarHBondContact O-N 2.79Å
974	V	98.8	Very high	97	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129	177.7	-177.3	0	0	0	0	108.8	F962 L966 Y991 V1034 R1035 Q1036 F1037 S1075	F962-V974 HydrophobicContact CZ-CG1 4.04Å; L966-V974 HydrophobicContact CD1-CG2 3.63Å; L966-V974 HydrophobicContact CD2-CG2 3.93Å; L966-V974 HydrophobicContact CG-CG2 4.46Å; V974-Y991 WeakPolarHBondContact CG1-OH 3.32Å; V974-V1034 HydrophobicContact CG2-CG1 4.07Å; V974-R1035 PolarHBondContact N-O 3.14Å; V974-Q1036 HydrophobicContact CB-CB 4.3Å; V974-Q1036 HydrophobicContact CB-CG 4.24Å; V974-Q1036 HydrophobicContact CG1-CG 4.23Å; V974-Q1036 CarbonylContact O-C 3.42Å; V974-Q1036 VanDerWaalsContact O-CA 3.3Å; V974-Q1036 WeakPolarHBondContact O-CA 3.49Å; V974-F1037 PolarHBondContact O-N 2.8Å; V974-S1075 CarbonylContact C-O 3.51Å; V974-S1075 VanDerWaalsContact CA-O 3.29Å; V974-S1075 WeakPolarHBondContact CA-O 3.48Å
975	V	98.9	Very high	96.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	115.5	175.5	175.2	0	0	0	0	108.5	L977 F1037 F1057 V1061 I1074 S1075 V1076 H1077 F1088	V975-L977 HydrophobicContact CG1-CD1 4.47Å; V975-L977 HydrophobicContact CG1-CD2 3.68Å; V975-L977 HydrophobicContact CG1-CG 3.93Å; V975-F1037 CarbonylContact C-O 3.45Å; V975-F1037 WeakPolarHBondContact CA-O 3.33Å; V975-F1057 HydrophobicContact CG1-CE1 3.75Å; V975-F1057 HydrophobicContact CG1-CZ 3.89Å; V975-V1061 HydrophobicContact CG2-CG1 3.85Å; V975-V1061 HydrophobicContact CG2-CG2 4Å; V975-I1074 HydrophobicContact CG2-CG2 3.68Å; V975-S1075 PolarHBondContact N-O 3.29Å; V975-V1076 HydrophobicContact CB-CB 4.39Å; V975-V1076 HydrophobicContact CB-CG1 4.13Å; V975-V1076 HydrophobicContact CB-CG2 4.19Å; V975-V1076 HydrophobicContact CG1-CG1 4.05Å; V975-V1076 WeakPolarHBondContact O-CA 3.31Å; V975-H1077 PolarHBondContact O-N 3.04Å; V975-F1088 HydrophobicContact CB-CZ 4.49Å; V975-F1088 HydrophobicContact CG1-CD1 4.49Å; V975-F1088 HydrophobicContact CG1-CD2 4.05Å; V975-F1088 HydrophobicContact CG1-CE1 4.36Å; V975-F1088 HydrophobicContact CG1-CE2 3.9Å; V975-F1088 HydrophobicContact CG1-CG 4.35Å; V975-F1088 HydrophobicContact CG1-CZ 4.08Å; V975-F1088 HydrophobicContact CG2-CE1 4.23Å; V975-F1088 HydrophobicContact CG2-CE2 4.41Å; V975-F1088 HydrophobicContact CG2-CZ 3.88Å
976	M	98.8	Very high	96.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	117.3	178.3	176.9	171.6	-176.5	0	0	109.7	T978 L980 C988 Y991 W992 F1037 Q1038 F1039 H1077	M976-T978 HydrophobicContact CE-CG2 4.11Å; M976-T978 WeakPolarHBondContact CE-O 3.33Å; M976-T978 HydrophobicContact CG-CG2 4.49Å; M976-L980 HydrophobicContact CE-CD2 4Å; M976-C988 HydrophobicContact CE-CB 4Å; M976-Y991 HydrophobicContact SD-CE1 4.31Å; M976-W992 HydrophobicContact CE-CH2 4Å; M976-W992 HydrophobicContact CE-CZ3 4.07Å; M976-W992 HydrophobicContact SD-CH2 3.85Å; M976-W992 HydrophobicContact SD-CZ3 3.72Å; M976-F1037 PolarHBondContact N-O 3.08Å; M976-Q1038 HydrophobicContact CB-CB 4.19Å; M976-Q1038 HydrophobicContact CB-CG 4.21Å; M976-Q1038 HydrophobicContact CG-CB 4.47Å; M976-Q1038 HydrophobicContact CG-CG 3.97Å; M976-Q1038 CarbonylContact O-C 3.42Å; M976-Q1038 VanDerWaalsContact O-CA 3.32Å; M976-Q1038 WeakPolarHBondContact O-CA 3.49Å; M976-Q1038 HydrophobicContact SD-CG 4.02Å; M976-F1039 PolarHBondContact O-N 2.76Å; M976-H1077 VanDerWaalsContact CG-CE1 3.41Å; M976-H1077 WeakPolarHBondContact CG-CE1 3.49Å
977	L	98.6	Very high	96.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.234	C	C	.	.			trans	-106.9	27.3	-173.3	-58	170.8	0	0	0	112.8	V975 F1039 F1054 F1057 V1076 H1077 C1078 R1084 F1088	V975-L977 HydrophobicContact CG1-CD1 4.47Å; V975-L977 HydrophobicContact CG1-CD2 3.68Å; V975-L977 HydrophobicContact CG1-CG 3.93Å; L977-F1039 HydrophobicContact CD2-CB 4.08Å; L977-F1054 HydrophobicContact CD2-CE2 3.94Å; L977-F1054 HydrophobicContact CD2-CZ 4.13Å; L977-F1057 HydrophobicContact CD2-CE1 3.91Å; L977-V1076 HydrophobicContact CD1-CG1 3.73Å; L977-V1076 HydrophobicContact CG-CG1 4.44Å; L977-H1077 PolarHBondContact N-O 3.05Å; L977-C1078 HydrophobicContact CB-CB 4.1Å; L977-R1084 HydrophobicContact CB-CB 3.9Å; L977-R1084 VanDerWaalsContact CD1-C 3.46Å; L977-R1084 HydrophobicContact CD1-CB 4.05Å; L977-R1084 VanDerWaalsContact CD1-O 3.31Å; L977-R1084 WeakPolarHBondContact CD1-O 3.45Å; L977-R1084 WeakPolarHBondContact O-CD 3.45Å; L977-R1084 PolarHBondContact O-NH1 2.83Å; L977-F1088 HydrophobicContact CD1-CB 3.63Å; L977-F1088 HydrophobicContact CD1-CG 4.27Å; L977-F1088 HydrophobicContact CD2-CD2 4.26Å
978	T	97.4	Very high	96.6	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.012	23%	0.231	C	C	.	.	S	Bend	trans	-150.4	154.7	-177.9	-167.5	0	0	0	0	110.9	M976 E982 K987 C988 Q1038	M976-T978 HydrophobicContact CE-CG2 4.11Å; M976-T978 WeakPolarHBondContact CE-O 3.33Å; M976-T978 HydrophobicContact CG-CG2 4.49Å; T978-E982 WeakPolarHBondContact CA-OE1 3.22Å; T978-E982 PolarHBondContact OG1-OE1 3.33Å; T978-K987 HydrophobicContact CG2-CB 4.22Å; T978-K987 WeakPolarHBondContact OG1-CB 3.42Å; T978-C988 HydrophobicContact CG2-CB 4.01Å; T978-Q1038 PolarHBondContact O-NE2 2.96Å; T978-Q1038 VanDerWaalsContact O-NE2 3.13Å
979	K	97.4	Very high	96.6	Very high	80 Å²	80	48.3 Å²	48.3	35%	0.348	23%	0.234	S	C	.	.			trans	-75.8	164.1	163.6	-60.4	177.5	-172.8	172.4	0	109.2	R981 E982 T1040 E1044	K979-R981 WeakPolarHBondContact CB-O 3.47Å; K979-R981 PolarHBondContact O-N 3.43Å; K979-E982 HydrophobicContact CB-CG 3.95Å; K979-E982 PolarHBondContact N-OE1 2.79Å; K979-T1040 WeakPolarHBondContact CE-O 3.2Å; K979-E1044 IonicContact NZ-OE1 3.4Å
980	L	96.8	Very high	96.7	Very high	53 Å²	53	49.8 Å²	49.8	28%	0.277	24%	0.241	S	C	.	.	S	Bend	trans	-60	-37.4	174.3	-66.5	176	0	0	0	111.4	M976 K987 C988 Q990 W992	M976-L980 HydrophobicContact CE-CD2 4Å; L980-K987 PolarHBondContact O-N 3.04Å; L980-C988 WeakPolarHBondContact CD2-O 3.28Å; L980-C988 PolarHBondContact O-N 3.01Å; L980-Q990 HydrophobicContact CD1-CB 4.02Å; L980-Q990 HydrophobicContact CD1-CG 4.37Å; L980-Q990 HydrophobicContact CD2-CB 3.94Å; L980-W992 HydrophobicContact CD1-CH2 4.43Å; L980-W992 HydrophobicContact CD2-CH2 3.64Å; L980-W992 HydrophobicContact CD2-CZ3 3.96Å; L980-W992 HydrophobicContact CG-CH2 4.18Å
981	R	95.7	Very high	96.8	Very high	167 Å²	167	45.8 Å²	45.8	63%	0.63	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.9	175.8	-67.5	-178.5	167.4	-146.3	-3.7	110.5	K979 R985	K979-R981 WeakPolarHBondContact CB-O 3.47Å; K979-R981 PolarHBondContact O-N 3.43Å; R981-R985 VanDerWaalsContact CA-O 3.25Å; R981-R985 WeakPolarHBondContact CA-O 3.47Å
982	E	93.6	Very high	96.8	Very high	6 Å²	6	46.3 Å²	46.3	3%	0.028	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	137.9	174.7	-62.9	175.5	-167.7	0	0	108.1	T978 K979 G984 R985 K987 E1044 R1084	T978-E982 WeakPolarHBondContact CA-OE1 3.22Å; T978-E982 PolarHBondContact OG1-OE1 3.33Å; K979-E982 HydrophobicContact CB-CG 3.95Å; K979-E982 PolarHBondContact N-OE1 2.79Å; E982-G984 PolarHBondContact O-N 2.65Å; E982-R985 PolarHBondContact N-O 3.39Å; E982-R985 PolarHBondContact O-N 3.29Å; E982-K987 HydrophobicContact CB-CG 3.92Å; E982-K987 HydrophobicContact CG-CG 4Å; E982-E1044 HydrophobicContact CB-CG 4.13Å; E982-E1044 HydrophobicContact CG-CG 4.29Å; E982-R1084 IonicContact OE1-CZ 2.67Å; E982-R1084 IonicContact OE1-NH1 3.63Å; E982-R1084 PolarHBondContact OE1-NH1 3.43Å; E982-R1084 IonicContact OE1-NH2 3.54Å; E982-R1084 IonicContact OE2-CZ 3.64Å; E982-R1084 IonicContact OE2-NH1 3.95Å; E982-R1084 PolarHBondContact OE2-NH1 2.71Å; E982-R1084 IonicContact OE2-NH2 2.73Å; E982-R1084 PolarHBondContact OE2-NH2 2.89Å
983	M	92.3	Very high	96.7	Very high	98 Å²	98	46.2 Å²	46.2	48%	0.483	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	39.8	-173.2	-58.1	-171	-73.7	0	0	113.1	R985 E1044 Q1045	M983-R985 PolarHBondContact O-N 2.97Å; M983-R985 VanDerWaalsContact O-N 3.15Å; M983-E1044 HydrophobicContact CG-CB 4.02Å; M983-E1044 PolarHBondContact N-OE2 3.2Å; M983-Q1045 HydrophobicContact SD-CG 3.65Å; M983-Q1045 PolarHBondContact SD-NE2 3.31Å
984	G	89.9	Confident	96.3	Very high	69 Å²	69	49 Å²	49	71%	0.711	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.8	2.1	-179.9	0	0	0	0	0	115.9	E982	E982-G984 PolarHBondContact O-N 2.65Å
985	R	93.7	Very high	95.9	Very high	189 Å²	189	58 Å²	58	71%	0.713	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	141.8	179.2	-63.4	-176	-175.5	175.7	2.4	111.1	R981 E982 M983 K987	R981-R985 VanDerWaalsContact CA-O 3.25Å; R981-R985 WeakPolarHBondContact CA-O 3.47Å; E982-R985 PolarHBondContact N-O 3.39Å; E982-R985 PolarHBondContact O-N 3.29Å; M983-R985 PolarHBondContact O-N 2.97Å; M983-R985 VanDerWaalsContact O-N 3.15Å; R985-K987 PolarHBondContact O-N 2.89Å
986	E	94.5	Very high	95.6	Very high	87 Å²	87	67.5 Å²	67.5	41%	0.407	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	126.9	171.9	-168.4	-165	112	0	0	110.5	R908	R908-E986 IonicContact CZ-OE1 3.78Å; R908-E986 IonicContact NH1-OE1 3.7Å; R908-E986 PolarHBondContact NH1-OE1 3.35Å; R908-E986 IonicContact NH2-OE1 3.86Å; R908-E986 PolarHBondContact NH2-OE1 2.87Å
987	K	97.2	Very high	95.5	Very high	46 Å²	46	70.8 Å²	70.8	20%	0.2	35%	0.345	C	S	.	.			trans	-103.7	-31.8	176.1	-63.8	-59.9	-171.7	174.4	0	112.3	R908 T978 L980 E982 R985 S1079	R908-K987 PolarHBondContact NE-O 2.83Å; T978-K987 HydrophobicContact CG2-CB 4.22Å; T978-K987 WeakPolarHBondContact OG1-CB 3.42Å; L980-K987 PolarHBondContact O-N 3.04Å; E982-K987 HydrophobicContact CB-CG 3.92Å; E982-K987 HydrophobicContact CG-CG 4Å; R985-K987 PolarHBondContact O-N 2.89Å; K987-S1079 WeakPolarHBondContact O-CA 3.4Å; K987-S1079 PolarHBondContact O-OG 3.2Å
988	C	98.3	Very high	95.4	Very high	2 Å²	2	72.1 Å²	72.1	1%	0.014	36%	0.356	C	S	.	.	S	Bend	trans	-154.4	135.3	-178	178.9	0	0	0	0	109.3	M976 T978 L980	M976-C988 HydrophobicContact CE-CB 4Å; T978-C988 HydrophobicContact CG2-CB 4.01Å; L980-C988 WeakPolarHBondContact CD2-O 3.28Å; L980-C988 PolarHBondContact O-N 3.01Å
989	H	98.4	Very high	95.3	Very high	65 Å²	65	80.1 Å²	80.1	30%	0.301	39%	0.386	S	S	.	.			trans	-71.1	144.7	168.5	176.3	-98.3	0	0	0	109.6	P954 T959 Y991	P954-H989 VanDerWaalsContact O-CB 3.28Å; P954-H989 WeakPolarHBondContact O-CB 3.3Å; P954-H989 PolarHBondContact O-N 3.12Å; T959-H989 PolarHBondContact OG1-ND1 3.11Å; H989-Y991 PolarHBondContact O-N 2.53Å
990	Q	98.4	Very high	95.3	Very high	77 Å²	77	78 Å²	78	36%	0.36	38%	0.376	S	S	.	.			trans	-72.6	97.4	175.8	-173.6	177.8	-29.3	0	0	109.9	L980 W992	L980-Q990 HydrophobicContact CD1-CB 4.02Å; L980-Q990 HydrophobicContact CD1-CG 4.37Å; L980-Q990 HydrophobicContact CD2-CB 3.94Å; Q990-W992 VanDerWaalsContact C-N 3.31Å; Q990-W992 HydrophobicContact CG-CD2 3.8Å; Q990-W992 HydrophobicContact CG-CE3 3.94Å; Q990-W992 HydrophobicContact CG-CG 4.4Å; Q990-W992 HydrophobicContact CG-CH2 4.11Å; Q990-W992 HydrophobicContact CG-CZ2 3.95Å; Q990-W992 HydrophobicContact CG-CZ3 4.09Å; Q990-W992 PolarHBondContact NE2-O 3.35Å; Q990-W992 VanDerWaalsContact NE2-O 3.15Å
991	Y	98.4	Very high	95.1	Very high	1 Å²	1	77.4 Å²	77.4	0%	0.004	37%	0.372	C	S	.	.			trans	-85.6	0.3	-177.6	61.2	-89.7	0	0	0	113.7	P954 F962 W963 V974 M976 H989 Y1000 Q1036 H1077	P954-Y991 HydrophobicContact CB-CD1 4.22Å; P954-Y991 HydrophobicContact CB-CG 4.42Å; P954-Y991 HydrophobicContact CG-CD1 3.7Å; P954-Y991 HydrophobicContact CG-CE1 4.28Å; P954-Y991 HydrophobicContact CG-CG 4Å; F962-Y991 AromaticContact CD1-CD2 3.81Å; F962-Y991 HydrophobicContact CD1-CD2 3.81Å; F962-Y991 HydrophobicContact CD1-CE2 4.14Å; F962-Y991 HydrophobicContact CD1-CG 4.28Å; F962-Y991 AromaticContact CE1-CD2 3.59Å; F962-Y991 HydrophobicContact CE1-CD2 3.59Å; F962-Y991 AromaticContact CE1-CE2 3.42Å; F962-Y991 HydrophobicContact CE1-CE2 3.42Å; F962-Y991 VanDerWaalsContact CE1-CE2 3.42Å; F962-Y991 HydrophobicContact CE1-CG 4.29Å; F962-Y991 HydrophobicContact CZ-CE2 4.15Å; W963-Y991 HydrophobicContact CZ2-CD2 4.01Å; W963-Y991 HydrophobicContact CZ2-CE2 4.4Å; W963-Y991 PolarHBondContact NE1-O 2.79Å; V974-Y991 WeakPolarHBondContact CG1-OH 3.32Å; M976-Y991 HydrophobicContact SD-CE1 4.31Å; H989-Y991 PolarHBondContact O-N 2.53Å; Y991-Y1000 PolarHBondContact O-OH 3.1Å; Y991-Q1036 VanDerWaalsContact CZ-NE2 3.34Å; Y991-Q1036 PolarHBondContact OH-NE2 3.36Å; Y991-H1077 AromaticContact CE1-CE1 3.63Å; Y991-H1077 AromaticContact CE1-NE2 3.52Å; Y991-H1077 AromaticContact CZ-NE2 3.5Å; Y991-H1077 PolarHBondContact OH-NE2 3.21Å
992	W	98.4	Very high	95	Very high	12 Å²	12	73 Å²	73	5%	0.045	36%	0.356	C	S	.	.	S	Bend	trans	-119	147.3	-177.4	69.6	93.8	0	0	0	112.6	W963 M976 L980 Q990 F1021 Q1036	W963-W992 HydrophobicContact CZ2-CB 4.37Å; M976-W992 HydrophobicContact CE-CH2 4Å; M976-W992 HydrophobicContact CE-CZ3 4.07Å; M976-W992 HydrophobicContact SD-CH2 3.85Å; M976-W992 HydrophobicContact SD-CZ3 3.72Å; L980-W992 HydrophobicContact CD1-CH2 4.43Å; L980-W992 HydrophobicContact CD2-CH2 3.64Å; L980-W992 HydrophobicContact CD2-CZ3 3.96Å; L980-W992 HydrophobicContact CG-CH2 4.18Å; Q990-W992 VanDerWaalsContact C-N 3.31Å; Q990-W992 HydrophobicContact CG-CD2 3.8Å; Q990-W992 HydrophobicContact CG-CE3 3.94Å; Q990-W992 HydrophobicContact CG-CG 4.4Å; Q990-W992 HydrophobicContact CG-CH2 4.11Å; Q990-W992 HydrophobicContact CG-CZ2 3.95Å; Q990-W992 HydrophobicContact CG-CZ3 4.09Å; Q990-W992 PolarHBondContact NE2-O 3.35Å; Q990-W992 VanDerWaalsContact NE2-O 3.15Å; W992-F1021 HydrophobicContact CB-CE1 3.87Å; W992-F1021 HydrophobicContact CB-CE2 4.29Å; W992-F1021 HydrophobicContact CB-CZ 3.55Å; W992-F1021 AromaticContact CD1-CZ 3.73Å; W992-F1021 HydrophobicContact CG-CE1 4.3Å; W992-F1021 AromaticContact CG-CZ 3.78Å; W992-F1021 HydrophobicContact CG-CZ 3.78Å; W992-Q1036 VanDerWaalsContact CE3-NE2 3.29Å
993	P	96.8	Very high	95.2	Very high	10 Å²	10	72.8 Å²	72.8	7%	0.065	36%	0.355	C	S	.	.			trans	-72.4	142.1	170.1	23.8	-25	0	0	0	111.6	R996 A998 V1005 P1007	P993-R996 WeakPolarHBondContact CB-O 3.5Å; P993-A998 HydrophobicContact CB-CB 3.85Å; P993-A998 HydrophobicContact CG-CB 4.09Å; P993-V1005 HydrophobicContact CG-CB 4.04Å; P993-V1005 HydrophobicContact CG-CG1 3.76Å; P993-V1005 VanDerWaalsContact CG-O 3.27Å; P993-V1005 WeakPolarHBondContact CG-O 3.27Å; P993-P1007 HydrophobicContact CB-CG 4.42Å
994	A	90.6	Very high	95.4	Very high	64 Å²	64	70 Å²	70	53%	0.529	34%	0.343	S	S	.	.	S	Bend	trans	-100.9	-58.1	175	0	0	0	0	0	112.2
995	E	89.8	Confident	95.8	Very high	189 Å²	189	66.7 Å²	66.7	88%	0.883	31%	0.309	S	S	*	.	S	Bend	trans	-97.6	-29.5	-170.8	-63.9	177.8	178.3	0	0	114.3
996	R	92.6	Very high	96	Very high	201 Å²	201	59.1 Å²	59.1	76%	0.758	28%	0.283	S	S	*	.	S	Bend	trans	-144.1	155.2	-173.6	66	-176.8	179.5	-145.7	-0.7	111	P993	P993-R996 WeakPolarHBondContact CB-O 3.5Å
997	S	96	Very high	96.2	Very high	69 Å²	69	56.7 Å²	56.7	48%	0.483	28%	0.275	S	S	.	.			trans	-50.3	139.2	174.6	-50	0	0	0	0	112.1	V1005 D1006	S997-V1005 WeakPolarHBondContact CA-O 3.36Å; S997-D1006 WeakPolarHBondContact CB-OD1 3.27Å; S997-D1006 PolarHBondContact OG-OD1 2.92Å
998	A	96.6	Very high	96.2	Very high	27 Å²	27	59.9 Å²	59.9	22%	0.223	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	146.1	173.1	0	0	0	0	0	110	P993 Y1000 V1005	P993-A998 HydrophobicContact CB-CB 3.85Å; P993-A998 HydrophobicContact CG-CB 4.09Å; A998-Y1000 HydrophobicContact CB-CE2 3.77Å; A998-V1005 PolarHBondContact N-O 2.93Å; A998-V1005 PolarHBondContact O-N 3.3Å
999	R	96.4	Very high	96.1	Very high	170 Å²	170	61.1 Å²	61.1	64%	0.642	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.9	176	-174.8	175.5	178.2	165.2	3.1	109.5	Q1001 F1003 V1004	R999-Q1001 PolarHBondContact NE-O 3.36Å; R999-F1003 CarbonylContact C-O 3.56Å; R999-F1003 WeakPolarHBondContact CA-O 3.29Å; R999-V1004 HydrophobicContact CG-CG2 4.26Å
1000	Y	95.8	Very high	96.1	Very high	36 Å²	36	62.7 Å²	62.7	14%	0.141	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	101.3	175.3	-55.7	-73.2	0	0	0	107.5	T959 W963 Y991 A998 Y1002 F1003 V1005	T959-Y1000 HydrophobicContact CG2-CD1 3.67Å; T959-Y1000 HydrophobicContact CG2-CE1 3.55Å; T959-Y1000 HydrophobicContact CG2-CG 4.45Å; W963-Y1000 AromaticContact CD1-CD2 3.43Å; W963-Y1000 VanDerWaalsContact CD1-CD2 3.43Å; W963-Y1000 AromaticContact CD1-CE2 3.91Å; W963-Y1000 AromaticContact CD1-CG 3.69Å; W963-Y1000 HydrophobicContact CG-CD2 4.15Å; W963-Y1000 AromaticContact NE1-CD2 3.52Å; W963-Y1000 AromaticContact NE1-CE2 3.5Å; Y991-Y1000 PolarHBondContact O-OH 3.1Å; A998-Y1000 HydrophobicContact CB-CE2 3.77Å; Y1000-Y1002 PolarHBondContact O-N 3.36Å; Y1000-F1003 PolarHBondContact N-O 3.41Å; Y1000-F1003 PolarHBondContact O-N 2.86Å; Y1000-V1005 HydrophobicContact CD2-CB 4.31Å; Y1000-V1005 HydrophobicContact CD2-CG2 3.7Å; Y1000-V1005 HydrophobicContact CE2-CB 4.13Å; Y1000-V1005 HydrophobicContact CE2-CG2 3.95Å
1001	Q	93.1	Very high	96	Very high	41 Å²	41	64.4 Å²	64.4	19%	0.192	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	-109	-172.6	-163.3	-172.7	23.8	0	0	113.2	I925 E960 R999	I925-Q1001 VanDerWaalsContact CD1-NE2 3.26Å; E960-Q1001 HydrophobicContact CB-CB 4.34Å; E960-Q1001 PolarHBondContact OE1-N 3.28Å; R999-Q1001 PolarHBondContact NE-O 3.36Å
1002	Y	93.6	Very high	96	Very high	74 Å²	74	69.5 Å²	69.5	29%	0.29	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-15.7	-179.7	-49.7	-57.6	0	0	0	113.1	Y1000 A1026 R1027	Y1000-Y1002 PolarHBondContact O-N 3.36Å; Y1002-A1026 VanDerWaalsContact O-CB 3.23Å; Y1002-A1026 WeakPolarHBondContact O-CB 3.44Å; Y1002-A1026 PolarHBondContact O-N 2.99Å; Y1002-R1027 HydrophobicContact CD1-CG 4.06Å; Y1002-R1027 HydrophobicContact CG-CG 4.29Å
1003	F	97.2	Very high	95.8	Very high	1 Å²	1	73 Å²	73	0%	0.004	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.9	-169.2	-53.2	-71.2	0	0	0	111.3	W963 R964 W967 R999 Y1000 V1023 T1024 D1025	W963-F1003 HydrophobicContact CB-CD2 4.43Å; R964-F1003 VanDerWaalsContact CA-CE2 3.49Å; R964-F1003 HydrophobicContact CB-CE2 3.75Å; R964-F1003 HydrophobicContact CG-CE2 4.04Å; R964-F1003 HydrophobicContact CG-CZ 4.48Å; W967-F1003 HydrophobicContact CB-CD1 4.29Å; W967-F1003 HydrophobicContact CB-CE1 3.6Å; W967-F1003 HydrophobicContact CB-CE2 4.49Å; W967-F1003 HydrophobicContact CB-CZ 3.71Å; W967-F1003 AromaticContact CD1-CE1 3.52Å; W967-F1003 AromaticContact CD1-CZ 3.85Å; W967-F1003 HydrophobicContact CD2-CD1 4.05Å; W967-F1003 AromaticContact CD2-CE1 3.57Å; W967-F1003 HydrophobicContact CD2-CE1 3.57Å; W967-F1003 HydrophobicContact CD2-CZ 4.49Å; W967-F1003 HydrophobicContact CE3-CD1 4.2Å; W967-F1003 HydrophobicContact CE3-CE1 4.18Å; W967-F1003 HydrophobicContact CG-CD1 4.09Å; W967-F1003 AromaticContact CG-CE1 3.26Å; W967-F1003 HydrophobicContact CG-CE1 3.26Å; W967-F1003 AromaticContact CG-CZ 3.74Å; W967-F1003 HydrophobicContact CG-CZ 3.74Å; W967-F1003 AromaticContact NE1-CE1 3.91Å; R999-F1003 CarbonylContact C-O 3.56Å; R999-F1003 WeakPolarHBondContact CA-O 3.29Å; Y1000-F1003 PolarHBondContact N-O 3.41Å; Y1000-F1003 PolarHBondContact O-N 2.86Å; F1003-V1023 HydrophobicContact CB-CG1 4.15Å; F1003-V1023 HydrophobicContact CD1-CG1 4.41Å; F1003-T1024 WeakPolarHBondContact CA-O 3.27Å; F1003-D1025 HydrophobicContact CD1-CB 4.22Å; F1003-D1025 HydrophobicContact CE1-CB 4.15Å
1004	V	98.2	Very high	95.7	Very high	39 Å²	39	78.6 Å²	78.6	24%	0.236	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	122.2	168.3	-178	0	0	0	0	107.7	R999 V1023 T1024 A1026	R999-V1004 HydrophobicContact CG-CG2 4.26Å; V1004-V1023 CarbonylContact O-C 3.6Å; V1004-V1023 WeakPolarHBondContact O-CA 3.4Å; V1004-T1024 PolarHBondContact N-O 2.89Å; V1004-T1024 PolarHBondContact O-N 3.35Å; V1004-A1026 HydrophobicContact CG2-CB 4.46Å
1005	V	98.4	Very high	95.8	Very high	0 Å²	0	78.2 Å²	78.2	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	115	-179.3	-177	0	0	0	0	107.9	W963 P993 S997 A998 Y1000 F1021 V1023	W963-V1005 HydrophobicContact CD2-CG2 3.82Å; W963-V1005 HydrophobicContact CE3-CG2 3.99Å; W963-V1005 HydrophobicContact CG-CG2 4.34Å; W963-V1005 HydrophobicContact CH2-CG1 3.73Å; W963-V1005 HydrophobicContact CH2-CG2 4.26Å; W963-V1005 HydrophobicContact CZ2-CG1 3.8Å; W963-V1005 HydrophobicContact CZ2-CG2 4.09Å; W963-V1005 HydrophobicContact CZ3-CG1 4.28Å; W963-V1005 HydrophobicContact CZ3-CG2 4.21Å; P993-V1005 HydrophobicContact CG-CB 4.04Å; P993-V1005 HydrophobicContact CG-CG1 3.76Å; P993-V1005 VanDerWaalsContact CG-O 3.27Å; P993-V1005 WeakPolarHBondContact CG-O 3.27Å; S997-V1005 WeakPolarHBondContact CA-O 3.36Å; A998-V1005 PolarHBondContact N-O 2.93Å; A998-V1005 PolarHBondContact O-N 3.3Å; Y1000-V1005 HydrophobicContact CD2-CB 4.31Å; Y1000-V1005 HydrophobicContact CD2-CG2 3.7Å; Y1000-V1005 HydrophobicContact CE2-CB 4.13Å; Y1000-V1005 HydrophobicContact CE2-CG2 3.95Å; V1005-F1021 HydrophobicContact CG1-CB 3.94Å; V1005-F1021 HydrophobicContact CG1-CD1 3.87Å; V1005-F1021 HydrophobicContact CG1-CG 4.05Å; V1005-V1023 HydrophobicContact CG1-CG2 4.4Å; V1005-V1023 HydrophobicContact CG2-CG1 4.35Å; V1005-V1023 HydrophobicContact CG2-CG2 4.28Å
1006	D	98.1	Very high	96.2	Very high	30 Å²	30	70 Å²	70	16%	0.16	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	122.5	179.6	-57.2	-50.2	0	0	0	109.6	S997 M1008 F1021 K1022	S997-D1006 WeakPolarHBondContact CB-OD1 3.27Å; S997-D1006 PolarHBondContact OG-OD1 2.92Å; D1006-M1008 HydrophobicContact CB-CE 3.73Å; D1006-M1008 PolarHBondContact O-N 3.33Å; D1006-F1021 CarbonylContact O-C 3.51Å; D1006-F1021 VanDerWaalsContact O-CA 3.26Å; D1006-F1021 WeakPolarHBondContact O-CA 3.39Å; D1006-K1022 HydrophobicContact CB-CB 4.27Å; D1006-K1022 PolarHBondContact N-O 3.27Å; D1006-K1022 PolarHBondContact O-N 3.09Å
1007	P	97.9	Very high	96.5	Very high	37 Å²	37	61.5 Å²	61.5	24%	0.24	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	122.4	172.4	29.2	-31.1	0	0	0	109.9	P993 F1021	P993-P1007 HydrophobicContact CB-CG 4.42Å; P1007-F1021 HydrophobicContact CB-CD1 4.4Å; P1007-F1021 HydrophobicContact CB-CE1 4.38Å
1008	M	97.3	Very high	96.6	Very high	112 Å²	112	59.5 Å²	59.5	55%	0.552	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.2	-47.7	-176.6	-59.7	-75.4	81.4	0	0	112.2	D1006 E1020 K1022	D1006-M1008 HydrophobicContact CB-CE 3.73Å; D1006-M1008 PolarHBondContact O-N 3.33Å; M1008-E1020 HydrophobicContact CB-CB 4.39Å; M1008-E1020 WeakPolarHBondContact CB-O 3.46Å; M1008-E1020 PolarHBondContact N-O 3.11Å; M1008-K1022 HydrophobicContact CG-CB 3.82Å; M1008-K1022 HydrophobicContact SD-CB 3.75Å; M1008-K1022 HydrophobicContact SD-CD 4.49Å
1009	A	96.4	Very high	96.7	Very high	28 Å²	28	59.1 Å²	59.1	23%	0.231	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	151.9	-179	0	0	0	0	0	111.4	Y1011 R1019 E1020	A1009-Y1011 HydrophobicContact CB-CD2 4.44Å; A1009-Y1011 HydrophobicContact CB-CE2 3.59Å; A1009-R1019 CarbonylContact O-C 3.59Å; A1009-R1019 WeakPolarHBondContact O-CA 3.33Å; A1009-E1020 HydrophobicContact CB-CB 4.34Å; A1009-E1020 PolarHBondContact N-O 3.38Å; A1009-E1020 PolarHBondContact O-N 3.21Å
1010	E	97.8	Very high	96.8	Very high	98 Å²	98	52.9 Å²	52.9	46%	0.458	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	127	170.1	-179.2	173.4	115.9	0	0	109.2	N1012 I1017 L1018 R1019	E1010-N1012 PolarHBondContact OE1-ND2 3.11Å; E1010-I1017 HydrophobicContact CG-CG2 3.7Å; E1010-L1018 CarbonylContact C-O 3.56Å; E1010-L1018 WeakPolarHBondContact CA-O 3.3Å; E1010-R1019 HydrophobicContact CB-CG 4.43Å; E1010-R1019 HydrophobicContact CG-CG 4.06Å; E1010-R1019 IonicContact OE2-CZ 3.49Å; E1010-R1019 IonicContact OE2-NE 2.72Å; E1010-R1019 PolarHBondContact OE2-NE 2.94Å; E1010-R1019 IonicContact OE2-NH2 3.43Å; E1010-R1019 PolarHBondContact OE2-NH2 3.02Å
1011	Y	97.4	Very high	96.9	Very high	113 Å²	113	51.3 Å²	51.3	44%	0.443	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119.4	179	-51.9	-85.7	0	0	0	109.1	A1009 I1017 L1018 E1020	A1009-Y1011 HydrophobicContact CB-CD2 4.44Å; A1009-Y1011 HydrophobicContact CB-CE2 3.59Å; Y1011-I1017 WeakPolarHBondContact O-CA 3.24Å; Y1011-L1018 HydrophobicContact CD2-CB 4.32Å; Y1011-L1018 HydrophobicContact CD2-CD2 4.07Å; Y1011-L1018 HydrophobicContact CD2-CG 4.06Å; Y1011-L1018 PolarHBondContact N-O 3.42Å; Y1011-L1018 PolarHBondContact O-N 2.82Å; Y1011-E1020 HydrophobicContact CE2-CG 4.26Å
1012	N	96.6	Very high	97.1	Very high	109 Å²	109	53.4 Å²	53.4	58%	0.583	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	106.9	178.1	-71.5	-75.9	0	0	0	109.2	E1010 I1017	E1010-N1012 PolarHBondContact OE1-ND2 3.11Å; N1012-I1017 WeakPolarHBondContact OD1-CG1 3.38Å
1013	M	95.9	Very high	97.3	Very high	86 Å²	86	50 Å²	50	42%	0.424	26%	0.256	S	S	.	.			trans	-96.8	164.5	175.6	-55	-64.6	-75.2	0	0	109.3	Q1015 Y1016	M1013-Q1015 VanDerWaalsContact C-N 3.26Å; M1013-Q1015 PolarHBondContact O-N 2.83Å; M1013-Q1015 VanDerWaalsContact O-N 3.14Å; M1013-Y1016 CarbonylContact C-O 3.55Å; M1013-Y1016 VanDerWaalsContact CA-O 3.3Å; M1013-Y1016 WeakPolarHBondContact CA-O 3.47Å; M1013-Y1016 HydrophobicContact CB-CD1 4Å; M1013-Y1016 HydrophobicContact CB-CD2 4.2Å; M1013-Y1016 HydrophobicContact CB-CE1 3.82Å; M1013-Y1016 HydrophobicContact CB-CE2 4.03Å; M1013-Y1016 HydrophobicContact CB-CG 4.18Å; M1013-Y1016 WeakPolarHBondContact CB-O 3.42Å; M1013-Y1016 HydrophobicContact CG-CD2 4.15Å; M1013-Y1016 HydrophobicContact CG-CE1 4.11Å; M1013-Y1016 HydrophobicContact CG-CE2 3.61Å; M1013-Y1016 PolarHBondContact N-O 2.93Å; M1013-Y1016 VanDerWaalsContact O-O 3.04Å
1014	P	93	Very high	97.4	Very high	126 Å²	126	51.3 Å²	51.3	82%	0.818	27%	0.265	S	S	*	.	S	Bend	trans	-54.8	-37.2	-175.1	-29.6	36.7	0	0	0	114.8
1015	Q	93.9	Very high	97.3	Very high	56 Å²	56	49.5 Å²	49.5	26%	0.262	25%	0.254	S	S	.	.	S	Bend	trans	-121.8	-4.4	-173.4	-67.7	176.3	-40.5	0	0	114.3	M1013 F1039 T1040 D1041	M1013-Q1015 VanDerWaalsContact C-N 3.26Å; M1013-Q1015 PolarHBondContact O-N 2.83Å; M1013-Q1015 VanDerWaalsContact O-N 3.14Å; Q1015-F1039 HydrophobicContact CB-CE2 4.03Å; Q1015-F1039 WeakPolarHBondContact O-CD2 3.41Å; Q1015-T1040 PolarHBondContact O-N 3.49Å; Q1015-T1040 PolarHBondContact O-OG1 3.37Å; Q1015-T1040 VanDerWaalsContact O-OG1 3.12Å; Q1015-D1041 HydrophobicContact CB-CB 4.02Å; Q1015-D1041 HydrophobicContact CG-CB 4.03Å; Q1015-D1041 PolarHBondContact NE2-OD2 2.76Å
1016	Y	97.9	Very high	97.2	Very high	16 Å²	16	52 Å²	52	6%	0.063	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	164.3	178.7	68.7	-88.9	0	0	0	112	M1013 L1018 F1037 Q1038 F1057 Q1060	M1013-Y1016 CarbonylContact C-O 3.55Å; M1013-Y1016 VanDerWaalsContact CA-O 3.3Å; M1013-Y1016 WeakPolarHBondContact CA-O 3.47Å; M1013-Y1016 HydrophobicContact CB-CD1 4Å; M1013-Y1016 HydrophobicContact CB-CD2 4.2Å; M1013-Y1016 HydrophobicContact CB-CE1 3.82Å; M1013-Y1016 HydrophobicContact CB-CE2 4.03Å; M1013-Y1016 HydrophobicContact CB-CG 4.18Å; M1013-Y1016 WeakPolarHBondContact CB-O 3.42Å; M1013-Y1016 HydrophobicContact CG-CD2 4.15Å; M1013-Y1016 HydrophobicContact CG-CE1 4.11Å; M1013-Y1016 HydrophobicContact CG-CE2 3.61Å; M1013-Y1016 PolarHBondContact N-O 2.93Å; M1013-Y1016 VanDerWaalsContact O-O 3.04Å; Y1016-L1018 HydrophobicContact CE2-CB 4.32Å; Y1016-F1037 HydrophobicContact CD2-CD1 4.08Å; Y1016-F1037 AromaticContact CE2-CD1 3.96Å; Y1016-F1037 HydrophobicContact CE2-CD1 3.96Å; Y1016-F1037 HydrophobicContact CE2-CE1 4.15Å; Y1016-Q1038 CarbonylContact C-O 3.46Å; Y1016-Q1038 WeakPolarHBondContact CA-O 3.49Å; Y1016-Q1038 VanDerWaalsContact CB-O 3.26Å; Y1016-Q1038 WeakPolarHBondContact CB-O 3.3Å; Y1016-F1057 AromaticContact CD1-CD2 3.75Å; Y1016-F1057 HydrophobicContact CD1-CD2 3.75Å; Y1016-F1057 HydrophobicContact CD1-CE2 4.45Å; Y1016-F1057 HydrophobicContact CD2-CD2 4.26Å; Y1016-F1057 HydrophobicContact CD2-CE2 4.22Å; Y1016-F1057 HydrophobicContact CE1-CD2 4.45Å; Y1016-F1057 AromaticContact CG-CD2 3.64Å; Y1016-F1057 HydrophobicContact CG-CD2 3.64Å; Y1016-F1057 AromaticContact CG-CE2 3.88Å; Y1016-F1057 HydrophobicContact CG-CE2 3.88Å; Y1016-Q1060 HydrophobicContact CE1-CG 4.43Å
1017	I	98.4	Very high	97	Very high	23 Å²	23	57.4 Å²	57.4	12%	0.118	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.8	174	-54.1	173.5	0	0	0	107.7	E1010 Y1011 N1012 R1019 Q1038 T1040	E1010-I1017 HydrophobicContact CG-CG2 3.7Å; Y1011-I1017 WeakPolarHBondContact O-CA 3.24Å; N1012-I1017 WeakPolarHBondContact OD1-CG1 3.38Å; I1017-R1019 HydrophobicContact CG2-CG 4.23Å; I1017-Q1038 HydrophobicContact CB-CB 4.41Å; I1017-Q1038 PolarHBondContact N-O 3.01Å; I1017-Q1038 PolarHBondContact O-N 3.18Å; I1017-T1040 HydrophobicContact CD1-CG2 3.94Å; I1017-T1040 HydrophobicContact CG1-CG2 4.01Å
1018	L	98.4	Very high	96.9	Very high	27 Å²	27	59.9 Å²	59.9	14%	0.141	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	121.5	172.2	171	60.3	0	0	0	109.3	E1010 Y1011 Y1016 R1035 Q1036 F1037	E1010-L1018 CarbonylContact C-O 3.56Å; E1010-L1018 WeakPolarHBondContact CA-O 3.3Å; Y1011-L1018 HydrophobicContact CD2-CB 4.32Å; Y1011-L1018 HydrophobicContact CD2-CD2 4.07Å; Y1011-L1018 HydrophobicContact CD2-CG 4.06Å; Y1011-L1018 PolarHBondContact N-O 3.42Å; Y1011-L1018 PolarHBondContact O-N 2.82Å; Y1016-L1018 HydrophobicContact CE2-CB 4.32Å; L1018-R1035 HydrophobicContact CD1-CB 4.1Å; L1018-Q1036 CarbonylContact C-O 3.55Å; L1018-Q1036 WeakPolarHBondContact CA-O 3.32Å; L1018-F1037 HydrophobicContact CD1-CD1 4.16Å; L1018-F1037 HydrophobicContact CD1-CD2 3.97Å; L1018-F1037 HydrophobicContact CD1-CE1 3.88Å; L1018-F1037 HydrophobicContact CD1-CE2 3.68Å; L1018-F1037 HydrophobicContact CD1-CG 4.2Å; L1018-F1037 HydrophobicContact CD1-CZ 3.62Å; L1018-F1037 HydrophobicContact CD2-CE1 4.36Å; L1018-F1037 HydrophobicContact CD2-CZ 4.31Å
1019	R	98.5	Very high	96.7	Very high	20 Å²	20	57 Å²	57	8%	0.075	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136	172.3	-57.9	-173.8	178.8	86.4	7.8	110.5	A1009 E1010 I1017 F1021 R1035 Q1036	A1009-R1019 CarbonylContact O-C 3.59Å; A1009-R1019 WeakPolarHBondContact O-CA 3.33Å; E1010-R1019 HydrophobicContact CB-CG 4.43Å; E1010-R1019 HydrophobicContact CG-CG 4.06Å; E1010-R1019 IonicContact OE2-CZ 3.49Å; E1010-R1019 IonicContact OE2-NE 2.72Å; E1010-R1019 PolarHBondContact OE2-NE 2.94Å; E1010-R1019 IonicContact OE2-NH2 3.43Å; E1010-R1019 PolarHBondContact OE2-NH2 3.02Å; I1017-R1019 HydrophobicContact CG2-CG 4.23Å; R1019-F1021 HydrophobicContact CB-CD2 4.48Å; R1019-F1021 HydrophobicContact CB-CE1 4.45Å; R1019-F1021 HydrophobicContact CB-CE2 3.59Å; R1019-F1021 HydrophobicContact CB-CZ 3.56Å; R1019-F1021 HydrophobicContact CG-CZ 4.32Å; R1019-R1035 CarbonylContact O-C 3.57Å; R1019-R1035 WeakPolarHBondContact O-CA 3.46Å; R1019-Q1036 HydrophobicContact CB-CB 4.33Å; R1019-Q1036 PolarHBondContact N-O 3.39Å; R1019-Q1036 PolarHBondContact O-N 3Å
1020	E	98.1	Very high	96.8	Very high	38 Å²	38	61 Å²	61	18%	0.178	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.6	172.8	-58.8	-163.8	135.6	0	0	109.9	M1008 A1009 Y1011 R1035	M1008-E1020 HydrophobicContact CB-CB 4.39Å; M1008-E1020 WeakPolarHBondContact CB-O 3.46Å; M1008-E1020 PolarHBondContact N-O 3.11Å; A1009-E1020 HydrophobicContact CB-CB 4.34Å; A1009-E1020 PolarHBondContact N-O 3.38Å; A1009-E1020 PolarHBondContact O-N 3.21Å; Y1011-E1020 HydrophobicContact CE2-CG 4.26Å; E1020-R1035 HydrophobicContact CG-CG 4.22Å; E1020-R1035 IonicContact OE1-CZ 2.91Å; E1020-R1035 IonicContact OE1-NE 3.79Å; E1020-R1035 PolarHBondContact OE1-NE 2.67Å; E1020-R1035 IonicContact OE1-NH2 3.78Å; E1020-R1035 PolarHBondContact OE1-NH2 3.31Å
1021	F	98.3	Very high	96.7	Very high	4 Å²	4	59.3 Å²	59.3	2%	0.018	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	141.3	177.9	-55.2	-77.3	0	0	0	110	W963 W992 V1005 D1006 P1007 R1019 V1023 T1033 V1034 Q1036	W963-F1021 HydrophobicContact CH2-CD2 4.19Å; W963-F1021 HydrophobicContact CH2-CG 4.35Å; W992-F1021 HydrophobicContact CB-CE1 3.87Å; W992-F1021 HydrophobicContact CB-CE2 4.29Å; W992-F1021 HydrophobicContact CB-CZ 3.55Å; W992-F1021 AromaticContact CD1-CZ 3.73Å; W992-F1021 HydrophobicContact CG-CE1 4.3Å; W992-F1021 AromaticContact CG-CZ 3.78Å; W992-F1021 HydrophobicContact CG-CZ 3.78Å; V1005-F1021 HydrophobicContact CG1-CB 3.94Å; V1005-F1021 HydrophobicContact CG1-CD1 3.87Å; V1005-F1021 HydrophobicContact CG1-CG 4.05Å; D1006-F1021 CarbonylContact O-C 3.51Å; D1006-F1021 VanDerWaalsContact O-CA 3.26Å; D1006-F1021 WeakPolarHBondContact O-CA 3.39Å; P1007-F1021 HydrophobicContact CB-CD1 4.4Å; P1007-F1021 HydrophobicContact CB-CE1 4.38Å; R1019-F1021 HydrophobicContact CB-CD2 4.48Å; R1019-F1021 HydrophobicContact CB-CE1 4.45Å; R1019-F1021 HydrophobicContact CB-CE2 3.59Å; R1019-F1021 HydrophobicContact CB-CZ 3.56Å; R1019-F1021 HydrophobicContact CG-CZ 4.32Å; F1021-V1023 HydrophobicContact CB-CG2 4.41Å; F1021-T1033 CarbonylContact O-C 3.56Å; F1021-T1033 WeakPolarHBondContact O-CA 3.35Å; F1021-V1034 PolarHBondContact N-O 3.45Å; F1021-V1034 PolarHBondContact O-N 3.39Å; F1021-Q1036 HydrophobicContact CE2-CB 3.85Å
1022	K	98.1	Very high	96.7	Very high	84 Å²	84	57 Å²	57	37%	0.365	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	117	161.8	-178.8	-176.9	178.1	-175.4	0	107.6	D1006 M1008 S1031	D1006-K1022 HydrophobicContact CB-CB 4.27Å; D1006-K1022 PolarHBondContact N-O 3.27Å; D1006-K1022 PolarHBondContact O-N 3.09Å; M1008-K1022 HydrophobicContact CG-CB 3.82Å; M1008-K1022 HydrophobicContact SD-CB 3.75Å; M1008-K1022 HydrophobicContact SD-CD 4.49Å; K1022-S1031 WeakPolarHBondContact CE-OG 3.46Å
1023	V	98.3	Very high	96.7	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.012	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	124.9	177.7	-175.4	0	0	0	0	108	W963 W967 F1003 V1004 V1005 F1021 S1031 R1032 V1034	W963-V1023 HydrophobicContact CE3-CG2 4.1Å; W963-V1023 HydrophobicContact CH2-CG2 4.45Å; W963-V1023 HydrophobicContact CZ3-CG2 3.63Å; W967-V1023 HydrophobicContact CE3-CG1 3.98Å; W967-V1023 HydrophobicContact CZ3-CB 4.39Å; W967-V1023 HydrophobicContact CZ3-CG1 4.13Å; F1003-V1023 HydrophobicContact CB-CG1 4.15Å; F1003-V1023 HydrophobicContact CD1-CG1 4.41Å; V1004-V1023 CarbonylContact O-C 3.6Å; V1004-V1023 WeakPolarHBondContact O-CA 3.4Å; V1005-V1023 HydrophobicContact CG1-CG2 4.4Å; V1005-V1023 HydrophobicContact CG2-CG1 4.35Å; V1005-V1023 HydrophobicContact CG2-CG2 4.28Å; F1021-V1023 HydrophobicContact CB-CG2 4.41Å; V1023-S1031 CarbonylContact O-C 3.53Å; V1023-S1031 WeakPolarHBondContact O-CA 3.16Å; V1023-S1031 WeakPolarHBondContact O-CB 3.33Å; V1023-R1032 PolarHBondContact N-O 3.37Å; V1023-R1032 PolarHBondContact O-N 3.41Å; V1023-V1034 HydrophobicContact CB-CG2 4.28Å; V1023-V1034 HydrophobicContact CG2-CB 4.01Å; V1023-V1034 HydrophobicContact CG2-CG2 3.53Å
1024	T	98.1	Very high	96.8	Very high	29 Å²	29	51.1 Å²	51.1	18%	0.178	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.1	-179.2	-51.5	0	0	0	0	109.9	F1003 V1004 A1026 Q1030	F1003-T1024 WeakPolarHBondContact CA-O 3.27Å; V1004-T1024 PolarHBondContact N-O 2.89Å; V1004-T1024 PolarHBondContact O-N 3.35Å; T1024-A1026 PolarHBondContact O-N 3.19Å; T1024-Q1030 CarbonylContact C-O 3.55Å; T1024-Q1030 VanDerWaalsContact CA-O 3.3Å; T1024-Q1030 WeakPolarHBondContact CA-O 3.46Å
1025	D	97.1	Very high	97.1	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.011	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	113.2	170.3	-173.3	-19.1	0	0	0	109	W967 F1003 R1027 D1028 G1029 Q1030	W967-D1025 HydrophobicContact CH2-CB 4Å; W967-D1025 HydrophobicContact CZ2-CB 3.57Å; F1003-D1025 HydrophobicContact CD1-CB 4.22Å; F1003-D1025 HydrophobicContact CE1-CB 4.15Å; D1025-R1027 PolarHBondContact O-N 3.44Å; D1025-R1027 VanDerWaalsContact O-N 3.14Å; D1025-R1027 VanDerWaalsContact OD1-CB 3.28Å; D1025-R1027 WeakPolarHBondContact OD1-CB 3.34Å; D1025-R1027 WeakPolarHBondContact OD1-CG 3.23Å; D1025-R1027 IonicContact OD1-CZ 2.83Å; D1025-R1027 PolarHBondContact OD1-N 2.95Å; D1025-R1027 IonicContact OD1-NE 3.24Å; D1025-R1027 PolarHBondContact OD1-NE 2.96Å; D1025-R1027 IonicContact OD1-NH2 3.78Å; D1025-R1027 IonicContact OD2-CZ 2.87Å; D1025-R1027 IonicContact OD2-NE 3.52Å; D1025-R1027 PolarHBondContact OD2-NE 3.45Å; D1025-R1027 IonicContact OD2-NH2 3.37Å; D1025-R1027 PolarHBondContact OD2-NH2 3.35Å; D1025-D1028 WeakPolarHBondContact CB-OD1 3.5Å; D1025-D1028 PolarHBondContact O-N 3.42Å; D1025-G1029 VanDerWaalsContact O-CA 3.27Å; D1025-G1029 WeakPolarHBondContact O-CA 3.3Å; D1025-G1029 PolarHBondContact O-N 3.45Å; D1025-Q1030 PolarHBondContact N-O 3.47Å
1026	A	95.4	Very high	97.3	Very high	51 Å²	51	43.7 Å²	43.7	42%	0.421	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-9.3	-176	0	0	0	0	0	113.5	Y1002 V1004 T1024	Y1002-A1026 VanDerWaalsContact O-CB 3.23Å; Y1002-A1026 WeakPolarHBondContact O-CB 3.44Å; Y1002-A1026 PolarHBondContact O-N 2.99Å; V1004-A1026 HydrophobicContact CG2-CB 4.46Å; T1024-A1026 PolarHBondContact O-N 3.19Å
1027	R	94.3	Very high	97.3	Very high	144 Å²	144	43 Å²	43	54%	0.543	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-39.5	179.8	-60	172.3	-67.3	-179.2	3.7	112.3	Y1002 D1025	Y1002-R1027 HydrophobicContact CD1-CG 4.06Å; Y1002-R1027 HydrophobicContact CG-CG 4.29Å; D1025-R1027 PolarHBondContact O-N 3.44Å; D1025-R1027 VanDerWaalsContact O-N 3.14Å; D1025-R1027 VanDerWaalsContact OD1-CB 3.28Å; D1025-R1027 WeakPolarHBondContact OD1-CB 3.34Å; D1025-R1027 WeakPolarHBondContact OD1-CG 3.23Å; D1025-R1027 IonicContact OD1-CZ 2.83Å; D1025-R1027 PolarHBondContact OD1-N 2.95Å; D1025-R1027 IonicContact OD1-NE 3.24Å; D1025-R1027 PolarHBondContact OD1-NE 2.96Å; D1025-R1027 IonicContact OD1-NH2 3.78Å; D1025-R1027 IonicContact OD2-CZ 2.87Å; D1025-R1027 IonicContact OD2-NE 3.52Å; D1025-R1027 PolarHBondContact OD2-NE 3.45Å; D1025-R1027 IonicContact OD2-NH2 3.37Å; D1025-R1027 PolarHBondContact OD2-NH2 3.35Å
1028	D	95.2	Very high	97.3	Very high	90 Å²	90	42.6 Å²	42.6	48%	0.481	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-8.7	-175.5	67.1	8.5	0	0	0	114	D1025 Q1030	D1025-D1028 WeakPolarHBondContact CB-OD1 3.5Å; D1025-D1028 PolarHBondContact O-N 3.42Å; D1028-Q1030 VanDerWaalsContact C-N 3.28Å; D1028-Q1030 PolarHBondContact O-N 2.85Å; D1028-Q1030 WeakPolarHBondContact OD1-CB 3.42Å; D1028-Q1030 PolarHBondContact OD1-N 2.78Å
1029	G	94.3	Very high	97.3	Very high	52 Å²	52	41.5 Å²	41.5	54%	0.536	22%	0.221	S	C	.	.			trans	78.2	4.3	179.3	0	0	0	0	0	114.7	D1025	D1025-G1029 VanDerWaalsContact O-CA 3.27Å; D1025-G1029 WeakPolarHBondContact O-CA 3.3Å; D1025-G1029 PolarHBondContact O-N 3.45Å
1030	Q	96.8	Very high	97.3	Very high	111 Å²	111	42.6 Å²	42.6	52%	0.519	23%	0.23	S	C	.	.			trans	-65.6	145.9	176.1	-68.3	-169	10.7	0	0	110.5	W967 T1024 D1025 D1028	W967-Q1030 HydrophobicContact CH2-CB 4.1Å; W967-Q1030 WeakPolarHBondContact CH2-O 3.47Å; W967-Q1030 HydrophobicContact CZ2-CB 4.03Å; T1024-Q1030 CarbonylContact C-O 3.55Å; T1024-Q1030 VanDerWaalsContact CA-O 3.3Å; T1024-Q1030 WeakPolarHBondContact CA-O 3.46Å; D1025-Q1030 PolarHBondContact N-O 3.47Å; D1028-Q1030 VanDerWaalsContact C-N 3.28Å; D1028-Q1030 PolarHBondContact O-N 2.85Å; D1028-Q1030 WeakPolarHBondContact OD1-CB 3.42Å; D1028-Q1030 PolarHBondContact OD1-N 2.78Å
1031	S	96.6	Very high	97.1	Very high	62 Å²	62	45 Å²	45	43%	0.434	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	149.8	178.6	67.1	0	0	0	0	113.1	K1022 V1023	K1022-S1031 WeakPolarHBondContact CE-OG 3.46Å; V1023-S1031 CarbonylContact O-C 3.53Å; V1023-S1031 WeakPolarHBondContact O-CA 3.16Å; V1023-S1031 WeakPolarHBondContact O-CB 3.33Å
1032	R	96.8	Very high	97.1	Very high	65 Å²	65	45.1 Å²	45.1	25%	0.245	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	147.6	179.6	-61.1	175.5	-172.5	176.7	-3.9	110.1	W967 N970 V1023	W967-R1032 HydrophobicContact CE3-CG 4.38Å; W967-R1032 HydrophobicContact CH2-CG 3.88Å; W967-R1032 HydrophobicContact CZ3-CB 4.01Å; W967-R1032 HydrophobicContact CZ3-CG 3.65Å; W967-R1032 PolarHBondContact O-NH1 3.18Å; N970-R1032 VanDerWaalsContact OD1-CZ 3.24Å; N970-R1032 PolarHBondContact OD1-NH1 3.05Å; N970-R1032 PolarHBondContact OD1-NH2 3.26Å; V1023-R1032 PolarHBondContact N-O 3.37Å; V1023-R1032 PolarHBondContact O-N 3.41Å
1033	T	97.4	Very high	96.9	Very high	65 Å²	65	43.3 Å²	43.3	40%	0.399	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	121.6	170.1	-55.9	0	0	0	0	109.3	F1021 R1035	F1021-T1033 CarbonylContact O-C 3.56Å; F1021-T1033 WeakPolarHBondContact O-CA 3.35Å; T1033-R1035 HydrophobicContact CG2-CG 4.46Å
1034	V	98.3	Very high	96.3	Very high	6 Å²	6	47.1 Å²	47.1	4%	0.036	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.6	174.6	179.1	0	0	0	0	109	W963 L966 T972 V974 F1021 V1023	W963-V1034 HydrophobicContact CZ3-CB 4.39Å; W963-V1034 HydrophobicContact CZ3-CG1 4.15Å; L966-V1034 HydrophobicContact CD1-CG1 4.41Å; T972-V1034 CarbonylContact O-C 3.5Å; T972-V1034 WeakPolarHBondContact O-CA 3.19Å; V974-V1034 HydrophobicContact CG2-CG1 4.07Å; F1021-V1034 PolarHBondContact N-O 3.45Å; F1021-V1034 PolarHBondContact O-N 3.39Å; V1023-V1034 HydrophobicContact CB-CG2 4.28Å; V1023-V1034 HydrophobicContact CG2-CB 4.01Å; V1023-V1034 HydrophobicContact CG2-CG2 3.53Å
1035	R	98.4	Very high	95.7	Very high	26 Å²	26	53 Å²	53	10%	0.098	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.4	-179.2	-63.6	-172.1	172.2	84.6	4.4	110.3	T972 I973 V974 L1018 R1019 E1020 T1033 F1037	T972-R1035 PolarHBondContact O-N 3.21Å; I973-R1035 CarbonylContact C-O 3.59Å; I973-R1035 WeakPolarHBondContact CA-O 3.22Å; V974-R1035 PolarHBondContact N-O 3.14Å; L1018-R1035 HydrophobicContact CD1-CB 4.1Å; R1019-R1035 CarbonylContact O-C 3.57Å; R1019-R1035 WeakPolarHBondContact O-CA 3.46Å; E1020-R1035 HydrophobicContact CG-CG 4.22Å; E1020-R1035 IonicContact OE1-CZ 2.91Å; E1020-R1035 IonicContact OE1-NE 3.79Å; E1020-R1035 PolarHBondContact OE1-NE 2.67Å; E1020-R1035 IonicContact OE1-NH2 3.78Å; E1020-R1035 PolarHBondContact OE1-NH2 3.31Å; T1033-R1035 HydrophobicContact CG2-CG 4.46Å; R1035-F1037 HydrophobicContact CB-CE2 4.1Å
1036	Q	98.7	Very high	95.5	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	122.7	175.5	-176.3	-146.2	62	0	0	109.9	V974 Y991 W992 L1018 R1019 F1021	V974-Q1036 HydrophobicContact CB-CB 4.3Å; V974-Q1036 HydrophobicContact CB-CG 4.24Å; V974-Q1036 HydrophobicContact CG1-CG 4.23Å; V974-Q1036 CarbonylContact O-C 3.42Å; V974-Q1036 VanDerWaalsContact O-CA 3.3Å; V974-Q1036 WeakPolarHBondContact O-CA 3.49Å; Y991-Q1036 VanDerWaalsContact CZ-NE2 3.34Å; Y991-Q1036 PolarHBondContact OH-NE2 3.36Å; W992-Q1036 VanDerWaalsContact CE3-NE2 3.29Å; L1018-Q1036 CarbonylContact C-O 3.55Å; L1018-Q1036 WeakPolarHBondContact CA-O 3.32Å; R1019-Q1036 HydrophobicContact CB-CB 4.33Å; R1019-Q1036 PolarHBondContact N-O 3.39Å; R1019-Q1036 PolarHBondContact O-N 3Å; F1021-Q1036 HydrophobicContact CE2-CB 3.85Å
1037	F	98.8	Very high	95.6	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.009	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	109.1	172.7	-72.8	-97	0	0	0	109	I973 V974 V975 M976 Y1016 L1018 R1035 F1057 V1061 T1064	I973-F1037 HydrophobicContact CG2-CD2 4.14Å; I973-F1037 HydrophobicContact CG2-CE2 4.27Å; V974-F1037 PolarHBondContact O-N 2.8Å; V975-F1037 CarbonylContact C-O 3.45Å; V975-F1037 WeakPolarHBondContact CA-O 3.33Å; M976-F1037 PolarHBondContact N-O 3.08Å; Y1016-F1037 HydrophobicContact CD2-CD1 4.08Å; Y1016-F1037 AromaticContact CE2-CD1 3.96Å; Y1016-F1037 HydrophobicContact CE2-CD1 3.96Å; Y1016-F1037 HydrophobicContact CE2-CE1 4.15Å; L1018-F1037 HydrophobicContact CD1-CD1 4.16Å; L1018-F1037 HydrophobicContact CD1-CD2 3.97Å; L1018-F1037 HydrophobicContact CD1-CE1 3.88Å; L1018-F1037 HydrophobicContact CD1-CE2 3.68Å; L1018-F1037 HydrophobicContact CD1-CG 4.2Å; L1018-F1037 HydrophobicContact CD1-CZ 3.62Å; L1018-F1037 HydrophobicContact CD2-CE1 4.36Å; L1018-F1037 HydrophobicContact CD2-CZ 4.31Å; R1035-F1037 HydrophobicContact CB-CE2 4.1Å; F1037-F1057 HydrophobicContact CB-CE2 3.73Å; F1037-F1057 HydrophobicContact CB-CZ 3.78Å; F1037-F1057 HydrophobicContact CD1-CE2 4.25Å; F1037-F1057 HydrophobicContact CG-CE2 4.46Å; F1037-V1061 HydrophobicContact CB-CG2 4.03Å; F1037-V1061 HydrophobicContact CD1-CG2 3.87Å; F1037-V1061 HydrophobicContact CD2-CG2 4.14Å; F1037-V1061 HydrophobicContact CE1-CG2 4.34Å; F1037-V1061 HydrophobicContact CG-CG2 3.75Å; F1037-T1064 HydrophobicContact CE2-CG2 4.16Å; F1037-T1064 HydrophobicContact CZ-CG2 3.96Å; F1037-T1064 WeakPolarHBondContact CZ-OG1 3.49Å
1038	Q	98.7	Very high	95.6	Very high	13 Å²	13	47.7 Å²	47.7	6%	0.061	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	108.7	176.5	-178	178.9	18	0	0	110.5	M976 T978 Y1016 I1017 T1040	M976-Q1038 HydrophobicContact CB-CB 4.19Å; M976-Q1038 HydrophobicContact CB-CG 4.21Å; M976-Q1038 HydrophobicContact CG-CB 4.47Å; M976-Q1038 HydrophobicContact CG-CG 3.97Å; M976-Q1038 CarbonylContact O-C 3.42Å; M976-Q1038 VanDerWaalsContact O-CA 3.32Å; M976-Q1038 WeakPolarHBondContact O-CA 3.49Å; M976-Q1038 HydrophobicContact SD-CG 4.02Å; T978-Q1038 PolarHBondContact O-NE2 2.96Å; T978-Q1038 VanDerWaalsContact O-NE2 3.13Å; Y1016-Q1038 CarbonylContact C-O 3.46Å; Y1016-Q1038 WeakPolarHBondContact CA-O 3.49Å; Y1016-Q1038 VanDerWaalsContact CB-O 3.26Å; Y1016-Q1038 WeakPolarHBondContact CB-O 3.3Å; I1017-Q1038 HydrophobicContact CB-CB 4.41Å; I1017-Q1038 PolarHBondContact N-O 3.01Å; I1017-Q1038 PolarHBondContact O-N 3.18Å; Q1038-T1040 HydrophobicContact CG-CG2 4.27Å; Q1038-T1040 PolarHBondContact O-N 2.84Å
1039	F	98.4	Very high	95.4	Very high	5 Å²	5	52.6 Å²	52.6	2%	0.022	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	121.7	173.5	-169.3	-102.3	0	0	0	110.3	M976 L977 Q1015 D1041 W1042 F1054 F1057	M976-F1039 PolarHBondContact O-N 2.76Å; L977-F1039 HydrophobicContact CD2-CB 4.08Å; Q1015-F1039 HydrophobicContact CB-CE2 4.03Å; Q1015-F1039 WeakPolarHBondContact O-CD2 3.41Å; F1039-D1041 HydrophobicContact CE1-CB 4.07Å; F1039-D1041 HydrophobicContact CE2-CB 4.49Å; F1039-D1041 HydrophobicContact CZ-CB 3.88Å; F1039-W1042 HydrophobicContact CD1-CB 3.96Å; F1039-W1042 HydrophobicContact CE1-CB 4.01Å; F1039-W1042 VanDerWaalsContact CE1-N 3.31Å; F1039-F1054 HydrophobicContact CD1-CD2 4.02Å; F1039-F1054 HydrophobicContact CD1-CE2 4.11Å; F1039-F1054 HydrophobicContact CD2-CD2 4.21Å; F1039-F1054 AromaticContact CE1-CD2 3.77Å; F1039-F1054 HydrophobicContact CE1-CD2 3.77Å; F1039-F1054 HydrophobicContact CE1-CE2 4.28Å; F1039-F1054 AromaticContact CE2-CD2 3.98Å; F1039-F1054 HydrophobicContact CE2-CD2 3.98Å; F1039-F1054 HydrophobicContact CG-CD2 4.23Å; F1039-F1054 HydrophobicContact CG-CE2 4.29Å; F1039-F1054 HydrophobicContact CZ-CB 4.45Å; F1039-F1054 AromaticContact CZ-CD2 3.76Å; F1039-F1054 HydrophobicContact CZ-CD2 3.76Å; F1039-F1057 HydrophobicContact CB-CD1 4.33Å; F1039-F1057 HydrophobicContact CB-CD2 4.48Å; F1039-F1057 HydrophobicContact CB-CE1 3.99Å; F1039-F1057 HydrophobicContact CB-CE2 4.12Å; F1039-F1057 HydrophobicContact CB-CZ 3.86Å; F1039-F1057 HydrophobicContact CD2-CB 3.92Å; F1039-F1057 AromaticContact CD2-CD1 3.95Å; F1039-F1057 HydrophobicContact CD2-CD1 3.95Å; F1039-F1057 AromaticContact CD2-CD2 3.87Å; F1039-F1057 HydrophobicContact CD2-CD2 3.87Å; F1039-F1057 HydrophobicContact CD2-CE1 4.45Å; F1039-F1057 HydrophobicContact CD2-CE2 4.34Å; F1039-F1057 AromaticContact CD2-CG 3.63Å; F1039-F1057 HydrophobicContact CD2-CG 3.63Å; F1039-F1057 HydrophobicContact CE2-CB 4.08Å; F1039-F1057 HydrophobicContact CE2-CG 4.3Å; F1039-F1057 HydrophobicContact CG-CD1 4.4Å; F1039-F1057 HydrophobicContact CG-CG 4.46Å
1040	T	96.8	Very high	95.3	Very high	42 Å²	42	52.6 Å²	52.6	26%	0.258	28%	0.281	S	S	.	.			trans	-105.8	-14.5	-171.4	50.1	0	0	0	0	113.9	K979 Q1015 I1017 Q1038	K979-T1040 WeakPolarHBondContact CE-O 3.2Å; Q1015-T1040 PolarHBondContact O-N 3.49Å; Q1015-T1040 PolarHBondContact O-OG1 3.37Å; Q1015-T1040 VanDerWaalsContact O-OG1 3.12Å; I1017-T1040 HydrophobicContact CD1-CG2 3.94Å; I1017-T1040 HydrophobicContact CG1-CG2 4.01Å; Q1038-T1040 HydrophobicContact CG-CG2 4.27Å; Q1038-T1040 PolarHBondContact O-N 2.84Å
1041	D	95.7	Very high	95.1	Very high	88 Å²	88	47.3 Å²	47.3	47%	0.471	26%	0.256	S	S	.	.			trans	-94.9	10.6	-172	-152.6	31.8	0	0	0	113.8	Q1015 F1039	Q1015-D1041 HydrophobicContact CB-CB 4.02Å; Q1015-D1041 HydrophobicContact CG-CB 4.03Å; Q1015-D1041 PolarHBondContact NE2-OD2 2.76Å; F1039-D1041 HydrophobicContact CE1-CB 4.07Å; F1039-D1041 HydrophobicContact CE2-CB 4.49Å; F1039-D1041 HydrophobicContact CZ-CB 3.88Å
1042	W	96.5	Very high	94.9	Very high	8 Å²	8	51.5 Å²	51.5	3%	0.03	27%	0.269	C	S	.	.	S	Bend	trans	-75.4	124.1	171.2	-162.6	-62.9	0	0	0	109.5	F1039 G1046 V1047 P1048 F1054 R1084 V1087 Q1126 F1129	F1039-W1042 HydrophobicContact CD1-CB 3.96Å; F1039-W1042 HydrophobicContact CE1-CB 4.01Å; F1039-W1042 VanDerWaalsContact CE1-N 3.31Å; W1042-G1046 PolarHBondContact NE1-O 3.08Å; W1042-V1047 HydrophobicContact CZ2-CG1 4.13Å; W1042-P1048 HydrophobicContact CD2-CG 4.18Å; W1042-P1048 HydrophobicContact CE3-CG 4.22Å; W1042-F1054 HydrophobicContact CE3-CD2 4.33Å; W1042-F1054 AromaticContact CE3-CE2 3.87Å; W1042-F1054 HydrophobicContact CE3-CE2 3.87Å; W1042-F1054 HydrophobicContact CE3-CZ 4.31Å; W1042-F1054 HydrophobicContact CZ3-CD2 4.33Å; W1042-F1054 HydrophobicContact CZ3-CE1 4.33Å; W1042-F1054 AromaticContact CZ3-CE2 3.79Å; W1042-F1054 HydrophobicContact CZ3-CE2 3.79Å; W1042-F1054 AromaticContact CZ3-CZ 3.77Å; W1042-F1054 HydrophobicContact CZ3-CZ 3.77Å; W1042-R1084 HydrophobicContact CD2-CG 3.85Å; W1042-R1084 HydrophobicContact CE3-CB 4.37Å; W1042-R1084 HydrophobicContact CE3-CG 4.13Å; W1042-R1084 HydrophobicContact CG-CG 4.48Å; W1042-R1084 VanDerWaalsContact CG-NE 3.33Å; W1042-R1084 HydrophobicContact CH2-CB 4.2Å; W1042-R1084 HydrophobicContact CH2-CG 3.96Å; W1042-R1084 HydrophobicContact CZ2-CB 4.42Å; W1042-R1084 HydrophobicContact CZ2-CG 3.67Å; W1042-R1084 HydrophobicContact CZ3-CB 4.18Å; W1042-R1084 HydrophobicContact CZ3-CG 4.18Å; W1042-R1084 VanDerWaalsContact NE1-NE 3.16Å; W1042-V1087 HydrophobicContact CH2-CB 4.02Å; W1042-V1087 HydrophobicContact CH2-CG1 3.93Å; W1042-V1087 HydrophobicContact CH2-CG2 4.08Å; W1042-V1087 HydrophobicContact CZ3-CB 4.48Å; W1042-V1087 HydrophobicContact CZ3-CG1 4.23Å; W1042-Q1126 HydrophobicContact CZ2-CG 4.42Å; W1042-F1129 HydrophobicContact CH2-CD1 4.47Å; W1042-F1129 HydrophobicContact CH2-CE1 4.5Å
1043	P	93.8	Very high	94.7	Very high	46 Å²	46	48.8 Å²	48.8	30%	0.299	26%	0.261	S	S	.	.			trans	-67.3	146.3	-176.5	27.8	-35.3	0	0	0	112.4	Q1045 V1047 R1084	P1043-Q1045 WeakPolarHBondContact CB-O 3.33Å; P1043-Q1045 PolarHBondContact O-N 2.89Å; P1043-Q1045 VanDerWaalsContact O-N 3.14Å; P1043-V1047 VanDerWaalsContact CG-C 3.47Å; P1043-V1047 WeakPolarHBondContact CG-O 3.47Å; P1043-R1084 PolarHBondContact O-NH2 2.69Å
1044	E	86.1	Confident	94.7	Very high	81 Å²	81	45.8 Å²	45.8	38%	0.379	24%	0.242	S	C	.	.	S	Bend	trans	-64	-22.9	-178.9	-61.3	-169	-175.5	0	0	113	K979 E982 M983	K979-E1044 IonicContact NZ-OE1 3.4Å; E982-E1044 HydrophobicContact CB-CG 4.13Å; E982-E1044 HydrophobicContact CG-CG 4.29Å; M983-E1044 HydrophobicContact CG-CB 4.02Å; M983-E1044 PolarHBondContact N-OE2 3.2Å
1045	Q	86.5	Confident	94.6	Very high	154 Å²	154	46.6 Å²	46.6	72%	0.72	25%	0.246	S	C	*	.	S	Bend	trans	-126.8	134.3	173.6	-65.3	179.7	-13	0	0	110.1	M983 P1043	M983-Q1045 HydrophobicContact SD-CG 3.65Å; M983-Q1045 PolarHBondContact SD-NE2 3.31Å; P1043-Q1045 WeakPolarHBondContact CB-O 3.33Å; P1043-Q1045 PolarHBondContact O-N 2.89Å; P1043-Q1045 VanDerWaalsContact O-N 3.14Å
1046	G	92.4	Very high	94.4	Very high	45 Å²	45	48.9 Å²	48.9	46%	0.464	26%	0.261	S	S	.	.	S	Bend	trans	75.5	-145.2	179.4	0	0	0	0	0	114.4	W1042	W1042-G1046 PolarHBondContact NE1-O 3.08Å
1047	V	96.5	Very high	94.3	Very high	24 Å²	24	48.9 Å²	48.9	15%	0.145	26%	0.26	C	S	.	.			trans	-128.4	158.2	-175.6	-63.3	0	0	0	0	110.6	W1042 P1043 D1125 Q1126 F1129	W1042-V1047 HydrophobicContact CZ2-CG1 4.13Å; P1043-V1047 VanDerWaalsContact CG-C 3.47Å; P1043-V1047 WeakPolarHBondContact CG-O 3.47Å; V1047-D1125 HydrophobicContact CG1-CB 3.95Å; V1047-D1125 HydrophobicContact CG2-CB 4.32Å; V1047-Q1126 HydrophobicContact CG1-CG 3.94Å; V1047-F1129 HydrophobicContact CB-CB 4.08Å; V1047-F1129 HydrophobicContact CB-CD2 4.29Å; V1047-F1129 HydrophobicContact CB-CG 4.2Å; V1047-F1129 HydrophobicContact CG1-CB 4.23Å; V1047-F1129 HydrophobicContact CG2-CB 4.1Å; V1047-F1129 HydrophobicContact CG2-CD2 4.37Å; V1047-F1129 HydrophobicContact CG2-CG 4.49Å
1048	P	95.4	Very high	94.2	Very high	15 Å²	15	49.1 Å²	49.1	10%	0.097	26%	0.262	C	S	.	.			trans	-54.3	143.7	173.6	-23.6	33.8	0	0	0	111.9	W1042 S1050 F1129	W1042-P1048 HydrophobicContact CD2-CG 4.18Å; W1042-P1048 HydrophobicContact CE3-CG 4.22Å; P1048-S1050 WeakPolarHBondContact CB-O 3.48Å; P1048-F1129 HydrophobicContact CB-CE2 3.74Å; P1048-F1129 HydrophobicContact CB-CZ 3.98Å; P1048-F1129 HydrophobicContact CG-CE2 4.09Å; P1048-F1129 HydrophobicContact CG-CZ 3.94Å; P1048-F1129 WeakPolarHBondContact O-CD2 3.28Å; P1048-F1129 WeakPolarHBondContact O-CE2 3.42Å
1049	K	90.6	Very high	94	Very high	194 Å²	194	50.2 Å²	50.2	84%	0.843	28%	0.277	S	S	*	.	S	Bend	trans	-69.1	-35.5	-177.4	-68.7	-172.7	178.9	-178.6	0	112.6	R1132	K1049-R1132 PolarHBondContact O-NH1 3.22Å; K1049-R1132 VanDerWaalsContact O-NH1 3.07Å
1050	S	93.3	Very high	94	Very high	52 Å²	52	52.6 Å²	52.6	36%	0.364	29%	0.288	S	S	.	.			trans	-124.8	151	173.9	161.8	0	0	0	0	109.6	P1048 E1052 E1136	P1048-S1050 WeakPolarHBondContact CB-O 3.48Å; S1050-E1052 PolarHBondContact OG-N 3.02Å; S1050-E1136 PolarHBondContact OG-OE2 3.31Å
1051	G	92.3	Very high	94	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-83.3	-16.1	174.9	0	0	0	0	0	115	G1053 F1054 I1055 E1136	G1051-G1053 PolarHBondContact O-N 3.14Å; G1051-F1054 CarbonylContact O-C 3.41Å; G1051-F1054 WeakPolarHBondContact O-CA 3.26Å; G1051-F1054 PolarHBondContact O-N 3.18Å; G1051-I1055 WeakPolarHBondContact O-CD1 3.21Å; G1051-I1055 VanDerWaalsContact O-CG1 3.28Å; G1051-I1055 WeakPolarHBondContact O-CG1 3.37Å; G1051-I1055 PolarHBondContact O-N 3.36Å; G1051-E1136 WeakPolarHBondContact CA-OE2 3.49Å; G1051-E1136 PolarHBondContact N-OE1 3.16Å; G1051-E1136 PolarHBondContact N-OE2 3.39Å
1052	E	92.1	Very high	94	Very high	149 Å²	149	48.3 Å²	48.3	70%	0.696	26%	0.262	S	S	*	.	H	α-helix	trans	-46	-54.5	-173.6	-174.4	-177.9	176	0	0	113.2	S1050 F1054 I1055 D1056 E1136	S1050-E1052 PolarHBondContact OG-N 3.02Å; E1052-F1054 VanDerWaalsContact C-N 3.3Å; E1052-F1054 PolarHBondContact O-N 3.25Å; E1052-I1055 PolarHBondContact O-N 2.97Å; E1052-D1056 PolarHBondContact O-N 2.88Å; E1052-E1136 PolarHBondContact N-OE2 3.38Å; E1052-E1136 VanDerWaalsContact N-OE2 3.15Å
1053	G	93.1	Very high	93.8	Very high	8 Å²	8	53.6 Å²	53.6	8%	0.082	29%	0.285	C	S	.	.	H	α-helix	trans	-65.1	-32.3	-179.9	0	0	0	0	0	114.7	G1051 F1057	G1051-G1053 PolarHBondContact O-N 3.14Å; G1053-F1057 VanDerWaalsContact O-CB 3.31Å; G1053-F1057 WeakPolarHBondContact O-CB 3.23Å; G1053-F1057 PolarHBondContact O-N 3.45Å; G1053-F1057 VanDerWaalsContact O-N 3.08Å
1054	F	96.6	Very high	93.9	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.009	28%	0.276	C	S	.	.	H	α-helix	trans	-77.7	-32.3	177.8	-158.4	-108.8	0	0	0	111.8	L977 F1039 W1042 G1051 E1052 F1057 I1058 V1087 F1088 L1091 F1129	L977-F1054 HydrophobicContact CD2-CE2 3.94Å; L977-F1054 HydrophobicContact CD2-CZ 4.13Å; F1039-F1054 HydrophobicContact CD1-CD2 4.02Å; F1039-F1054 HydrophobicContact CD1-CE2 4.11Å; F1039-F1054 HydrophobicContact CD2-CD2 4.21Å; F1039-F1054 AromaticContact CE1-CD2 3.77Å; F1039-F1054 HydrophobicContact CE1-CD2 3.77Å; F1039-F1054 HydrophobicContact CE1-CE2 4.28Å; F1039-F1054 AromaticContact CE2-CD2 3.98Å; F1039-F1054 HydrophobicContact CE2-CD2 3.98Å; F1039-F1054 HydrophobicContact CG-CD2 4.23Å; F1039-F1054 HydrophobicContact CG-CE2 4.29Å; F1039-F1054 HydrophobicContact CZ-CB 4.45Å; F1039-F1054 AromaticContact CZ-CD2 3.76Å; F1039-F1054 HydrophobicContact CZ-CD2 3.76Å; W1042-F1054 HydrophobicContact CE3-CD2 4.33Å; W1042-F1054 AromaticContact CE3-CE2 3.87Å; W1042-F1054 HydrophobicContact CE3-CE2 3.87Å; W1042-F1054 HydrophobicContact CE3-CZ 4.31Å; W1042-F1054 HydrophobicContact CZ3-CD2 4.33Å; W1042-F1054 HydrophobicContact CZ3-CE1 4.33Å; W1042-F1054 AromaticContact CZ3-CE2 3.79Å; W1042-F1054 HydrophobicContact CZ3-CE2 3.79Å; W1042-F1054 AromaticContact CZ3-CZ 3.77Å; W1042-F1054 HydrophobicContact CZ3-CZ 3.77Å; G1051-F1054 CarbonylContact O-C 3.41Å; G1051-F1054 WeakPolarHBondContact O-CA 3.26Å; G1051-F1054 PolarHBondContact O-N 3.18Å; E1052-F1054 VanDerWaalsContact C-N 3.3Å; E1052-F1054 PolarHBondContact O-N 3.25Å; F1054-F1057 HydrophobicContact CD2-CD1 4.47Å; F1054-F1057 HydrophobicContact CE2-CD1 4.34Å; F1054-I1058 HydrophobicContact CD1-CD1 3.84Å; F1054-I1058 HydrophobicContact CD1-CG1 4.48Å; F1054-I1058 HydrophobicContact CE1-CD1 3.89Å; F1054-I1058 HydrophobicContact CE1-CG1 4.46Å; F1054-I1058 VanDerWaalsContact O-CG1 3.29Å; F1054-I1058 WeakPolarHBondContact O-CG1 3.38Å; F1054-I1058 PolarHBondContact O-N 3.32Å; F1054-V1087 HydrophobicContact CE1-CG1 3.94Å; F1054-F1088 HydrophobicContact CE1-CB 4.3Å; F1054-F1088 HydrophobicContact CE1-CD2 4.38Å; F1054-F1088 HydrophobicContact CZ-CB 3.94Å; F1054-F1088 AromaticContact CZ-CD2 3.99Å; F1054-F1088 HydrophobicContact CZ-CD2 3.99Å; F1054-F1088 HydrophobicContact CZ-CG 4.49Å; F1054-L1091 HydrophobicContact CD1-CD1 3.76Å; F1054-L1091 HydrophobicContact CE1-CD1 4.02Å; F1054-F1129 HydrophobicContact CB-CZ 4.15Å; F1054-F1129 HydrophobicContact CD1-CE1 4.04Å; F1054-F1129 HydrophobicContact CG-CE1 4.36Å; F1054-F1129 HydrophobicContact CG-CZ 4.45Å
1055	I	95.4	Very high	94.2	Very high	24 Å²	24	49.6 Å²	49.6	12%	0.123	26%	0.263	C	S	.	.	H	α-helix	trans	-67.1	-48.4	173.8	-66.5	158.2	0	0	0	110	G1051 E1052 F1057 I1058 G1059 L1095 A1133 E1136 Y1137	G1051-I1055 WeakPolarHBondContact O-CD1 3.21Å; G1051-I1055 VanDerWaalsContact O-CG1 3.28Å; G1051-I1055 WeakPolarHBondContact O-CG1 3.37Å; G1051-I1055 PolarHBondContact O-N 3.36Å; E1052-I1055 PolarHBondContact O-N 2.97Å; I1055-F1057 VanDerWaalsContact C-N 3.31Å; I1055-F1057 PolarHBondContact O-N 3.4Å; I1055-I1058 PolarHBondContact O-N 2.81Å; I1055-G1059 PolarHBondContact O-N 2.89Å; I1055-L1095 HydrophobicContact CG1-CD1 4.25Å; I1055-L1095 HydrophobicContact CG2-CD1 4.39Å; I1055-A1133 HydrophobicContact CD1-CB 4.3Å; I1055-A1133 WeakPolarHBondContact CD1-O 3.48Å; I1055-A1133 HydrophobicContact CG1-CB 4.39Å; I1055-E1136 HydrophobicContact CD1-CB 4.24Å; I1055-Y1137 HydrophobicContact CG2-CD2 3.75Å; I1055-Y1137 HydrophobicContact CG2-CE2 4.38Å
1056	D	94.3	Very high	94.4	Very high	74 Å²	74	49.5 Å²	49.5	40%	0.396	26%	0.263	S	S	.	.	H	α-helix	trans	-57.8	-47	174.2	175.6	61.1	0	0	0	110.4	E1052 I1058 G1059 Q1060	E1052-D1056 PolarHBondContact O-N 2.88Å; D1056-I1058 PolarHBondContact O-N 2.94Å; D1056-G1059 CarbonylContact O-C 3.59Å; D1056-G1059 WeakPolarHBondContact O-CA 3.34Å; D1056-G1059 PolarHBondContact O-N 2.67Å; D1056-Q1060 WeakPolarHBondContact O-CG 3.38Å; D1056-Q1060 PolarHBondContact O-N 3.26Å; D1056-Q1060 PolarHBondContact OD1-NE2 3.46Å
1057	F	97.6	Very high	94.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-54.4	-47.8	176.5	177.4	-107.1	0	0	0	113.3	V975 L977 Y1016 F1037 F1039 G1053 F1054 I1055 G1059 Q1060 V1061 F1088	V975-F1057 HydrophobicContact CG1-CE1 3.75Å; V975-F1057 HydrophobicContact CG1-CZ 3.89Å; L977-F1057 HydrophobicContact CD2-CE1 3.91Å; Y1016-F1057 AromaticContact CD1-CD2 3.75Å; Y1016-F1057 HydrophobicContact CD1-CD2 3.75Å; Y1016-F1057 HydrophobicContact CD1-CE2 4.45Å; Y1016-F1057 HydrophobicContact CD2-CD2 4.26Å; Y1016-F1057 HydrophobicContact CD2-CE2 4.22Å; Y1016-F1057 HydrophobicContact CE1-CD2 4.45Å; Y1016-F1057 AromaticContact CG-CD2 3.64Å; Y1016-F1057 HydrophobicContact CG-CD2 3.64Å; Y1016-F1057 AromaticContact CG-CE2 3.88Å; Y1016-F1057 HydrophobicContact CG-CE2 3.88Å; F1037-F1057 HydrophobicContact CB-CE2 3.73Å; F1037-F1057 HydrophobicContact CB-CZ 3.78Å; F1037-F1057 HydrophobicContact CD1-CE2 4.25Å; F1037-F1057 HydrophobicContact CG-CE2 4.46Å; F1039-F1057 HydrophobicContact CB-CD1 4.33Å; F1039-F1057 HydrophobicContact CB-CD2 4.48Å; F1039-F1057 HydrophobicContact CB-CE1 3.99Å; F1039-F1057 HydrophobicContact CB-CE2 4.12Å; F1039-F1057 HydrophobicContact CB-CZ 3.86Å; F1039-F1057 HydrophobicContact CD2-CB 3.92Å; F1039-F1057 AromaticContact CD2-CD1 3.95Å; F1039-F1057 HydrophobicContact CD2-CD1 3.95Å; F1039-F1057 AromaticContact CD2-CD2 3.87Å; F1039-F1057 HydrophobicContact CD2-CD2 3.87Å; F1039-F1057 HydrophobicContact CD2-CE1 4.45Å; F1039-F1057 HydrophobicContact CD2-CE2 4.34Å; F1039-F1057 AromaticContact CD2-CG 3.63Å; F1039-F1057 HydrophobicContact CD2-CG 3.63Å; F1039-F1057 HydrophobicContact CE2-CB 4.08Å; F1039-F1057 HydrophobicContact CE2-CG 4.3Å; F1039-F1057 HydrophobicContact CG-CD1 4.4Å; F1039-F1057 HydrophobicContact CG-CG 4.46Å; G1053-F1057 VanDerWaalsContact O-CB 3.31Å; G1053-F1057 WeakPolarHBondContact O-CB 3.23Å; G1053-F1057 PolarHBondContact O-N 3.45Å; G1053-F1057 VanDerWaalsContact O-N 3.08Å; F1054-F1057 HydrophobicContact CD2-CD1 4.47Å; F1054-F1057 HydrophobicContact CE2-CD1 4.34Å; I1055-F1057 VanDerWaalsContact C-N 3.31Å; I1055-F1057 PolarHBondContact O-N 3.4Å; F1057-G1059 VanDerWaalsContact C-N 3.31Å; F1057-G1059 PolarHBondContact O-N 2.87Å; F1057-Q1060 PolarHBondContact O-N 3.06Å; F1057-V1061 HydrophobicContact CE1-CG2 4.35Å; F1057-V1061 HydrophobicContact CE2-CG2 4.35Å; F1057-V1061 HydrophobicContact CZ-CG2 4.16Å; F1057-V1061 WeakPolarHBondContact O-CG2 3.48Å; F1057-V1061 PolarHBondContact O-N 2.59Å; F1057-V1061 VanDerWaalsContact O-N 3.11Å; F1057-F1088 HydrophobicContact CD1-CD2 4.22Å; F1057-F1088 AromaticContact CD1-CE2 3.91Å; F1057-F1088 HydrophobicContact CD1-CE2 3.91Å; F1057-F1088 AromaticContact CE1-CD2 3.98Å; F1057-F1088 HydrophobicContact CE1-CD2 3.98Å; F1057-F1088 AromaticContact CE1-CE2 3.66Å; F1057-F1088 HydrophobicContact CE1-CE2 3.66Å
1058	I	97	Very high	93.9	Very high	8 Å²	8	56.6 Å²	56.6	4%	0.041	28%	0.281	C	S	.	.	H	α-helix	trans	-58.6	-45.6	174	-71.9	167	0	0	0	110.3	F1054 I1055 D1056 Q1060 V1061 H1062 F1088 L1091 L1095	F1054-I1058 HydrophobicContact CD1-CD1 3.84Å; F1054-I1058 HydrophobicContact CD1-CG1 4.48Å; F1054-I1058 HydrophobicContact CE1-CD1 3.89Å; F1054-I1058 HydrophobicContact CE1-CG1 4.46Å; F1054-I1058 VanDerWaalsContact O-CG1 3.29Å; F1054-I1058 WeakPolarHBondContact O-CG1 3.38Å; F1054-I1058 PolarHBondContact O-N 3.32Å; I1055-I1058 PolarHBondContact O-N 2.81Å; D1056-I1058 PolarHBondContact O-N 2.94Å; I1058-Q1060 PolarHBondContact O-N 2.99Å; I1058-V1061 PolarHBondContact O-N 2.83Å; I1058-H1062 PolarHBondContact O-CD2 2.68Å; I1058-H1062 VanDerWaalsContact O-CD2 3.27Å; I1058-H1062 PolarHBondContact O-N 3.05Å; I1058-H1062 VanDerWaalsContact O-N 3.08Å; I1058-F1088 HydrophobicContact CB-CE2 4.42Å; I1058-F1088 HydrophobicContact CD1-CD2 4.42Å; I1058-F1088 HydrophobicContact CG1-CD2 3.73Å; I1058-F1088 HydrophobicContact CG1-CE2 3.57Å; I1058-F1088 HydrophobicContact CG1-CZ 4.35Å; I1058-L1091 HydrophobicContact CD1-CB 3.54Å; I1058-L1091 HydrophobicContact CD1-CD1 4.31Å; I1058-L1095 HydrophobicContact CD1-CD1 4.38Å
1059	G	94.8	Very high	93.3	Very high	36 Å²	36	58.4 Å²	58.4	37%	0.371	30%	0.302	S	S	.	.	H	α-helix	trans	-56.7	-46.1	176.9	0	0	0	0	0	112.9	I1055 D1056 F1057 H1062 K1063	I1055-G1059 PolarHBondContact O-N 2.89Å; D1056-G1059 CarbonylContact O-C 3.59Å; D1056-G1059 WeakPolarHBondContact O-CA 3.34Å; D1056-G1059 PolarHBondContact O-N 2.67Å; F1057-G1059 VanDerWaalsContact C-N 3.31Å; F1057-G1059 PolarHBondContact O-N 2.87Å; G1059-H1062 PolarHBondContact O-N 2.78Å; G1059-K1063 WeakPolarHBondContact O-CB 3.42Å; G1059-K1063 PolarHBondContact O-N 3.33Å
1060	Q	96.5	Very high	93	Very high	55 Å²	55	51.6 Å²	51.6	26%	0.257	27%	0.273	S	S	.	.	H	α-helix	trans	-65.7	-39.2	178.9	-60.8	-56.9	-26	0	0	112.4	Y1016 D1056 F1057 I1058 T1064	Y1016-Q1060 HydrophobicContact CE1-CG 4.43Å; D1056-Q1060 WeakPolarHBondContact O-CG 3.38Å; D1056-Q1060 PolarHBondContact O-N 3.26Å; D1056-Q1060 PolarHBondContact OD1-NE2 3.46Å; F1057-Q1060 PolarHBondContact O-N 3.06Å; I1058-Q1060 PolarHBondContact O-N 2.99Å; Q1060-T1064 VanDerWaalsContact O-CB 3.32Å; Q1060-T1064 WeakPolarHBondContact O-CB 3.34Å; Q1060-T1064 PolarHBondContact O-N 3.04Å; Q1060-T1064 PolarHBondContact O-OG1 3.33Å
1061	V	97.4	Very high	92.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.5	-50.8	177	171.8	0	0	0	0	110.9	I973 V975 F1037 F1057 I1058 T1064 K1065 I1074 F1088	I973-V1061 HydrophobicContact CG2-CG1 4Å; V975-V1061 HydrophobicContact CG2-CG1 3.85Å; V975-V1061 HydrophobicContact CG2-CG2 4Å; F1037-V1061 HydrophobicContact CB-CG2 4.03Å; F1037-V1061 HydrophobicContact CD1-CG2 3.87Å; F1037-V1061 HydrophobicContact CD2-CG2 4.14Å; F1037-V1061 HydrophobicContact CE1-CG2 4.34Å; F1037-V1061 HydrophobicContact CG-CG2 3.75Å; F1057-V1061 HydrophobicContact CE1-CG2 4.35Å; F1057-V1061 HydrophobicContact CE2-CG2 4.35Å; F1057-V1061 HydrophobicContact CZ-CG2 4.16Å; F1057-V1061 WeakPolarHBondContact O-CG2 3.48Å; F1057-V1061 PolarHBondContact O-N 2.59Å; F1057-V1061 VanDerWaalsContact O-N 3.11Å; I1058-V1061 PolarHBondContact O-N 2.83Å; V1061-T1064 WeakPolarHBondContact O-CB 3.37Å; V1061-T1064 PolarHBondContact O-N 2.93Å; V1061-K1065 PolarHBondContact O-N 3.13Å; V1061-I1074 HydrophobicContact CG1-CD1 4.06Å; V1061-I1074 HydrophobicContact CG1-CG2 4.37Å; V1061-F1088 HydrophobicContact CB-CZ 4.31Å; V1061-F1088 HydrophobicContact CG1-CZ 4.08Å; V1061-F1088 HydrophobicContact CG2-CE2 4.5Å; V1061-F1088 HydrophobicContact CG2-CZ 4.38Å
1062	H	94.9	Very high	92.4	Very high	39 Å²	39	56.8 Å²	56.8	18%	0.181	30%	0.3	C	S	.	.	H	α-helix	trans	-69.8	-39	-179.1	-74.3	-67	0	0	0	112.6	Y948 I1058 G1059 T1064 K1065 E1066 S1092	Y948-H1062 PolarHBondContact OH-CE1 2.77Å; I1058-H1062 PolarHBondContact O-CD2 2.68Å; I1058-H1062 VanDerWaalsContact O-CD2 3.27Å; I1058-H1062 PolarHBondContact O-N 3.05Å; I1058-H1062 VanDerWaalsContact O-N 3.08Å; G1059-H1062 PolarHBondContact O-N 2.78Å; H1062-T1064 VanDerWaalsContact C-N 3.26Å; H1062-T1064 PolarHBondContact O-N 3.26Å; H1062-K1065 WeakPolarHBondContact O-CB 3.33Å; H1062-K1065 PolarHBondContact O-N 2.87Å; H1062-K1065 VanDerWaalsContact O-N 3.1Å; H1062-E1066 PolarHBondContact O-N 3.37Å; H1062-S1092 WeakPolarHBondContact NE2-CB 3.14Å; H1062-S1092 PolarHBondContact NE2-OG 3.16Å
1063	K	93.9	Very high	92.7	Very high	119 Å²	119	50.4 Å²	50.4	52%	0.517	27%	0.271	S	S	.	.	H	α-helix	trans	-57.2	-41.8	171.7	-177.5	-179.1	178.2	-176.6	0	111.5	G1059 E1066 Q1067	G1059-K1063 WeakPolarHBondContact O-CB 3.42Å; G1059-K1063 PolarHBondContact O-N 3.33Å; K1063-E1066 PolarHBondContact O-N 3.36Å; K1063-Q1067 WeakPolarHBondContact O-CB 3.46Å; K1063-Q1067 PolarHBondContact O-N 3.37Å
1064	T	94.3	Very high	93	Very high	17 Å²	17	50 Å²	50	10%	0.104	27%	0.268	C	S	.	.	H	α-helix	trans	-66.3	-40.3	176.2	-58.9	0	0	0	0	111.5	F1037 Q1060 V1061 H1062 F1068	F1037-T1064 HydrophobicContact CE2-CG2 4.16Å; F1037-T1064 HydrophobicContact CZ-CG2 3.96Å; F1037-T1064 WeakPolarHBondContact CZ-OG1 3.49Å; Q1060-T1064 VanDerWaalsContact O-CB 3.32Å; Q1060-T1064 WeakPolarHBondContact O-CB 3.34Å; Q1060-T1064 PolarHBondContact O-N 3.04Å; Q1060-T1064 PolarHBondContact O-OG1 3.33Å; V1061-T1064 WeakPolarHBondContact O-CB 3.37Å; V1061-T1064 PolarHBondContact O-N 2.93Å; H1062-T1064 VanDerWaalsContact C-N 3.26Å; H1062-T1064 PolarHBondContact O-N 3.26Å; T1064-F1068 HydrophobicContact CG2-CD2 3.78Å; T1064-F1068 HydrophobicContact CG2-CE2 4.01Å; T1064-F1068 WeakPolarHBondContact O-CD2 3.25Å; T1064-F1068 PolarHBondContact O-N 3.16Å
1065	K	93.2	Very high	93.1	Very high	27 Å²	27	50 Å²	50	12%	0.117	27%	0.267	C	S	.	.	H	α-helix	trans	-58.2	-48.5	175	179.4	166.1	170.1	152.5	0	111.7	I973 V1061 H1062 G1069 Q1070 G1072 I1074	I973-K1065 HydrophobicContact CD1-CB 3.57Å; I973-K1065 HydrophobicContact CD1-CG 4.2Å; V1061-K1065 PolarHBondContact O-N 3.13Å; H1062-K1065 WeakPolarHBondContact O-CB 3.33Å; H1062-K1065 PolarHBondContact O-N 2.87Å; H1062-K1065 VanDerWaalsContact O-N 3.1Å; K1065-G1069 PolarHBondContact O-N 3.35Å; K1065-Q1070 VanDerWaalsContact CE-O 3.28Å; K1065-Q1070 WeakPolarHBondContact CE-O 3.41Å; K1065-Q1070 HydrophobicContact CG-CB 4.32Å; K1065-Q1070 PolarHBondContact O-N 3.24Å; K1065-G1072 PolarHBondContact NZ-O 3.3Å; K1065-I1074 HydrophobicContact CD-CD1 3.72Å; K1065-I1074 HydrophobicContact CD-CG1 3.84Å
1066	E	90.2	Very high	93.2	Very high	151 Å²	151	48.8 Å²	48.8	71%	0.706	26%	0.261	S	S	*	.	H	α-helix	trans	-67.7	-48	179.6	-69.6	176	-178.1	0	0	112.1	H1062 K1063 F1068 G1069	H1062-E1066 PolarHBondContact O-N 3.37Å; K1063-E1066 PolarHBondContact O-N 3.36Å; E1066-F1068 VanDerWaalsContact C-N 3.27Å; E1066-F1068 PolarHBondContact O-N 3.38Å; E1066-G1069 PolarHBondContact O-N 3.26Å; E1066-G1069 VanDerWaalsContact O-N 3.09Å
1067	Q	90.3	Very high	93.5	Very high	130 Å²	130	45.3 Å²	45.3	61%	0.607	24%	0.243	S	C	*	.	H	α-helix	trans	-59.8	-36.1	-175.7	-179.7	177.9	-16.5	0	0	113.1	K1063	K1063-Q1067 WeakPolarHBondContact O-CB 3.46Å; K1063-Q1067 PolarHBondContact O-N 3.37Å
1068	F	89.1	Confident	93.4	Very high	89 Å²	89	45.7 Å²	45.7	39%	0.39	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	11.3	-180	-66.4	-72.5	0	0	0	113.5	T1064 E1066 Q1070	T1064-F1068 HydrophobicContact CG2-CD2 3.78Å; T1064-F1068 HydrophobicContact CG2-CE2 4.01Å; T1064-F1068 WeakPolarHBondContact O-CD2 3.25Å; T1064-F1068 PolarHBondContact O-N 3.16Å; E1066-F1068 VanDerWaalsContact C-N 3.27Å; E1066-F1068 PolarHBondContact O-N 3.38Å; F1068-Q1070 VanDerWaalsContact C-N 3.32Å; F1068-Q1070 HydrophobicContact CB-CG 4.09Å; F1068-Q1070 PolarHBondContact O-N 3.27Å; F1068-Q1070 PolarHBondContact O-NE2 3.18Å
1069	G	83.3	Confident	93.4	Very high	52 Å²	52	46.7 Å²	46.7	54%	0.536	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	43.7	176.2	0	0	0	0	0	113.4	K1065 E1066 D1071	K1065-G1069 PolarHBondContact O-N 3.35Å; E1066-G1069 PolarHBondContact O-N 3.26Å; E1066-G1069 VanDerWaalsContact O-N 3.09Å; G1069-D1071 PolarHBondContact O-N 3.09Å
1070	Q	83.1	Confident	93.5	Very high	51 Å²	51	45.5 Å²	45.5	24%	0.238	24%	0.239	C	C	.	.			trans	-87.1	106.3	-176.4	-60.7	-61.7	-52.7	0	0	110.6	T972 K1065 F1068 G1072	T972-Q1070 PolarHBondContact OG1-OE1 2.78Å; K1065-Q1070 VanDerWaalsContact CE-O 3.28Å; K1065-Q1070 WeakPolarHBondContact CE-O 3.41Å; K1065-Q1070 HydrophobicContact CG-CB 4.32Å; K1065-Q1070 PolarHBondContact O-N 3.24Å; F1068-Q1070 VanDerWaalsContact C-N 3.32Å; F1068-Q1070 HydrophobicContact CB-CG 4.09Å; F1068-Q1070 PolarHBondContact O-N 3.27Å; F1068-Q1070 PolarHBondContact O-NE2 3.18Å; Q1070-G1072 VanDerWaalsContact C-N 3.31Å; Q1070-G1072 PolarHBondContact O-N 3.33Å
1071	D	82.4	Confident	93.5	Very high	148 Å²	148	42.9 Å²	42.9	79%	0.791	23%	0.227	S	C	*	.			trans	-76.9	-18	179.6	-63.7	-34.2	0	0	0	113.5	G1069	G1069-D1071 PolarHBondContact O-N 3.09Å
1072	G	91.6	Very high	93.5	Very high	13 Å²	13	42.9 Å²	42.9	13%	0.134	23%	0.227	C	C	.	.	S	Bend	trans	-69.5	165.6	-177.2	0	0	0	0	0	115	N970 K1065 Q1070	N970-G1072 WeakPolarHBondContact O-CA 3.42Å; K1065-G1072 PolarHBondContact NZ-O 3.3Å; Q1070-G1072 VanDerWaalsContact C-N 3.31Å; Q1070-G1072 PolarHBondContact O-N 3.33Å
1073	P	97.6	Very high	93.5	Very high	15 Å²	15	41.1 Å²	41.1	10%	0.097	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-68.2	149.4	176	27.1	-31.9	0	0	0	112	K946 A947 I949 H969 S971	K946-P1073 WeakPolarHBondContact O-CB 3.5Å; A947-P1073 CarbonylContact O-C 3.56Å; A947-P1073 VanDerWaalsContact O-CA 3.26Å; A947-P1073 WeakPolarHBondContact O-CA 3.32Å; I949-P1073 HydrophobicContact CD1-CB 4.22Å; I949-P1073 HydrophobicContact CD1-CG 3.66Å; I949-P1073 HydrophobicContact CG1-CB 3.99Å; I949-P1073 HydrophobicContact CG1-CG 3.98Å; H969-P1073 WeakPolarHBondContact O-CD 3.37Å; S971-P1073 WeakPolarHBondContact CB-O 3.47Å; S971-P1073 PolarHBondContact OG-O 3.15Å
1074	I	98.7	Very high	93.7	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	119	168.9	-60.8	167.4	0	0	0	108.1	A947 Y948 I949 I973 V975 V1061 K1065 V1076	A947-I1074 PolarHBondContact O-N 3.34Å; Y948-I1074 CarbonylContact C-O 3.56Å; Y948-I1074 WeakPolarHBondContact CA-O 3.47Å; Y948-I1074 HydrophobicContact CD1-CB 3.84Å; Y948-I1074 HydrophobicContact CD1-CD1 4.4Å; Y948-I1074 HydrophobicContact CD1-CG2 4.38Å; Y948-I1074 HydrophobicContact CE1-CB 4.26Å; Y948-I1074 HydrophobicContact CE1-CD1 3.95Å; I949-I1074 PolarHBondContact N-O 2.95Å; I973-I1074 HydrophobicContact CB-CG1 4.37Å; I973-I1074 HydrophobicContact CB-CG2 4.49Å; I973-I1074 HydrophobicContact CG2-CG1 4.4Å; I973-I1074 HydrophobicContact CG2-CG2 4.03Å; V975-I1074 HydrophobicContact CG2-CG2 3.68Å; V1061-I1074 HydrophobicContact CG1-CD1 4.06Å; V1061-I1074 HydrophobicContact CG1-CG2 4.37Å; K1065-I1074 HydrophobicContact CD-CD1 3.72Å; K1065-I1074 HydrophobicContact CD-CG1 3.84Å; I1074-V1076 HydrophobicContact CG2-CG2 3.86Å; I1074-V1076 PolarHBondContact O-N 3.46Å
1075	S	98.8	Very high	93.9	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	111	177.1	-71.1	0	0	0	0	110	I949 L966 S971 I973 V974 V975	I949-S1075 CarbonylContact O-C 3.59Å; I949-S1075 WeakPolarHBondContact O-CA 3.43Å; L966-S1075 WeakPolarHBondContact CD2-OG 3.18Å; S971-S1075 WeakPolarHBondContact CB-OG 3.33Å; S971-S1075 WeakPolarHBondContact OG-CB 3.33Å; S971-S1075 PolarHBondContact OG-N 2.9Å; S971-S1075 PolarHBondContact OG-OG 3.47Å; I973-S1075 PolarHBondContact O-N 2.79Å; V974-S1075 CarbonylContact C-O 3.51Å; V974-S1075 VanDerWaalsContact CA-O 3.29Å; V974-S1075 WeakPolarHBondContact CA-O 3.48Å; V975-S1075 PolarHBondContact N-O 3.29Å
1076	V	98.9	Very high	94.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.3	-175.8	-170.3	0	0	0	0	109.6	Y948 I949 T951 V975 L977 I1074 T1085 F1088 I1089	Y948-V1076 HydrophobicContact CD1-CG2 4Å; I949-V1076 PolarHBondContact O-N 2.78Å; T951-V1076 PolarHBondContact N-O 2.83Å; V975-V1076 HydrophobicContact CB-CB 4.39Å; V975-V1076 HydrophobicContact CB-CG1 4.13Å; V975-V1076 HydrophobicContact CB-CG2 4.19Å; V975-V1076 HydrophobicContact CG1-CG1 4.05Å; V975-V1076 WeakPolarHBondContact O-CA 3.31Å; L977-V1076 HydrophobicContact CD1-CG1 3.73Å; L977-V1076 HydrophobicContact CG-CG1 4.44Å; I1074-V1076 HydrophobicContact CG2-CG2 3.86Å; I1074-V1076 PolarHBondContact O-N 3.46Å; V1076-T1085 HydrophobicContact CB-CG2 4.01Å; V1076-T1085 HydrophobicContact CG1-CG2 3.82Å; V1076-F1088 HydrophobicContact CB-CD1 4.45Å; V1076-F1088 HydrophobicContact CG1-CB 4.25Å; V1076-F1088 HydrophobicContact CG1-CD1 3.78Å; V1076-F1088 HydrophobicContact CG1-CE1 4.49Å; V1076-F1088 HydrophobicContact CG1-CG 4.15Å; V1076-F1088 HydrophobicContact CG2-CD1 3.75Å; V1076-F1088 HydrophobicContact CG2-CE1 3.82Å; V1076-I1089 HydrophobicContact CB-CD1 4.45Å; V1076-I1089 HydrophobicContact CG2-CD1 4.44Å; V1076-I1089 HydrophobicContact CG2-CG1 4.27Å
1077	H	98.8	Very high	94.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	155.8	176.1	72.4	88.7	0	0	0	113.5	T951 V975 M976 L977 Y991	T951-H1077 HydrophobicContact CG2-CB 3.83Å; T951-H1077 VanDerWaalsContact O-CA 3.24Å; T951-H1077 WeakPolarHBondContact O-CA 3.31Å; T951-H1077 WeakPolarHBondContact O-CB 3.46Å; V975-H1077 PolarHBondContact O-N 3.04Å; M976-H1077 VanDerWaalsContact CG-CE1 3.41Å; M976-H1077 WeakPolarHBondContact CG-CE1 3.49Å; L977-H1077 PolarHBondContact N-O 3.05Å; Y991-H1077 AromaticContact CE1-CE1 3.63Å; Y991-H1077 AromaticContact CE1-NE2 3.52Å; Y991-H1077 AromaticContact CZ-NE2 3.5Å; Y991-H1077 PolarHBondContact OH-NE2 3.21Å
1078	C	96.9	Very high	95	Very high	8 Å²	8	21.3 Å²	21.3	5%	0.054	13%	0.127	C	C	.	.			trans	-131	-132.6	168.1	67.3	0	0	0	0	107.8	G953 L977 G1081 R1084 T1085	G953-C1078 WeakPolarHBondContact CA-O 3.35Å; G953-C1078 PolarHBondContact N-O 2.93Å; L977-C1078 HydrophobicContact CB-CB 4.1Å; C1078-G1081 PolarHBondContact SG-N 2.93Å; C1078-R1084 HydrophobicContact CB-CB 4.01Å; C1078-T1085 PolarHBondContact N-OG1 3.27Å; C1078-T1085 PolarHBondContact SG-OG1 3.38Å; C1078-T1085 VanDerWaalsContact SG-OG1 3.35Å
1079	S	96.9	Very high	95.4	Very high	30 Å²	30	17 Å²	17	21%	0.21	11%	0.109	C	C	.	.	S	Bend	trans	-80	-65.7	169.3	-166.8	0	0	0	0	111.4	R908 Q952 G953 K987	R908-S1079 WeakPolarHBondContact CD-O 3.47Å; Q952-S1079 WeakPolarHBondContact CB-O 3.35Å; G953-S1079 PolarHBondContact N-O 3.15Å; K987-S1079 WeakPolarHBondContact O-CA 3.4Å; K987-S1079 PolarHBondContact O-OG 3.2Å
1080	A	95.5	Very high	96.2	Very high	10 Å²	10	14.6 Å²	14.6	8%	0.083	8%	0.083	C	C	.	.	S	Bend	trans	-88.1	-10.6	179.5	0	0	0	0	0	114.3	L909 I912 V1082 R1117	L909-A1080 HydrophobicContact CD1-CB 3.58Å; L909-A1080 HydrophobicContact CG-CB 4.37Å; I912-A1080 HydrophobicContact CG1-CB 4.41Å; I912-A1080 HydrophobicContact CG2-CB 4.42Å; A1080-V1082 HydrophobicContact CB-CG2 4.1Å; A1080-R1117 PolarHBondContact O-NH2 2.79Å
1081	G	97.1	Very high	96.9	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	74.6	28.6	-178.2	0	0	0	0	0	114.9	T951 C1078 R1117	T951-G1081 WeakPolarHBondContact O-CA 3.4Å; C1078-G1081 PolarHBondContact SG-N 2.93Å; G1081-R1117 PolarHBondContact O-NE 3.14Å
1082	V	96.9	Very high	97.6	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	4%	0.035	C	C	.	.	S	Bend	trans	-133.3	-44.8	-177.8	-63.3	0	0	0	0	114.7	I912 A1080 G1086 R1117 P1118 M1120 V1121	I912-V1082 HydrophobicContact CD1-CG2 4.24Å; I912-V1082 HydrophobicContact CG2-CG1 3.54Å; I912-V1082 HydrophobicContact CG2-CG2 4.36Å; A1080-V1082 HydrophobicContact CB-CG2 4.1Å; V1082-G1086 WeakPolarHBondContact O-CA 3.11Å; V1082-G1086 PolarHBondContact O-N 3.43Å; V1082-R1117 HydrophobicContact CG1-CG 4.24Å; V1082-P1118 VanDerWaalsContact CG1-O 3.25Å; V1082-P1118 WeakPolarHBondContact CG1-O 3.4Å; V1082-M1120 HydrophobicContact CB-SD 4.29Å; V1082-M1120 HydrophobicContact CG1-SD 4.32Å; V1082-M1120 WeakPolarHBondContact O-CA 3.17Å; V1082-V1121 PolarHBondContact O-N 2.91Å
1083	G	96.3	Very high	97.8	Very high	3 Å²	3	4.9 Å²	4.9	3%	0.031	3%	0.03	C	C	.	.	H	α-helix	trans	-70.7	-84.6	-177	0	0	0	0	0	113.2	T1085 G1086 V1087 Q1126	G1083-T1085 VanDerWaalsContact C-N 3.26Å; G1083-T1085 PolarHBondContact O-N 2.89Å; G1083-G1086 WeakPolarHBondContact O-CA 3.48Å; G1083-G1086 PolarHBondContact O-N 2.75Å; G1083-V1087 PolarHBondContact O-N 2.91Å; G1083-Q1126 VanDerWaalsContact CA-OE1 3.23Å
1084	R	98.4	Very high	97.7	Very high	27 Å²	27	4.3 Å²	4.3	10%	0.102	3%	0.026	C	C	.	.	H	α-helix	trans	-58.4	-38.1	177.2	-55.3	-177.7	-177.9	157.4	3	112.6	L977 E982 W1042 P1043 C1078 G1086 V1087 F1088	L977-R1084 HydrophobicContact CB-CB 3.9Å; L977-R1084 VanDerWaalsContact CD1-C 3.46Å; L977-R1084 HydrophobicContact CD1-CB 4.05Å; L977-R1084 VanDerWaalsContact CD1-O 3.31Å; L977-R1084 WeakPolarHBondContact CD1-O 3.45Å; L977-R1084 WeakPolarHBondContact O-CD 3.45Å; L977-R1084 PolarHBondContact O-NH1 2.83Å; E982-R1084 IonicContact OE1-CZ 2.67Å; E982-R1084 IonicContact OE1-NH1 3.63Å; E982-R1084 PolarHBondContact OE1-NH1 3.43Å; E982-R1084 IonicContact OE1-NH2 3.54Å; E982-R1084 IonicContact OE2-CZ 3.64Å; E982-R1084 IonicContact OE2-NH1 3.95Å; E982-R1084 PolarHBondContact OE2-NH1 2.71Å; E982-R1084 IonicContact OE2-NH2 2.73Å; E982-R1084 PolarHBondContact OE2-NH2 2.89Å; W1042-R1084 HydrophobicContact CD2-CG 3.85Å; W1042-R1084 HydrophobicContact CE3-CB 4.37Å; W1042-R1084 HydrophobicContact CE3-CG 4.13Å; W1042-R1084 HydrophobicContact CG-CG 4.48Å; W1042-R1084 VanDerWaalsContact CG-NE 3.33Å; W1042-R1084 HydrophobicContact CH2-CB 4.2Å; W1042-R1084 HydrophobicContact CH2-CG 3.96Å; W1042-R1084 HydrophobicContact CZ2-CB 4.42Å; W1042-R1084 HydrophobicContact CZ2-CG 3.67Å; W1042-R1084 HydrophobicContact CZ3-CB 4.18Å; W1042-R1084 HydrophobicContact CZ3-CG 4.18Å; W1042-R1084 VanDerWaalsContact NE1-NE 3.16Å; P1043-R1084 PolarHBondContact O-NH2 2.69Å; C1078-R1084 HydrophobicContact CB-CB 4.01Å; R1084-G1086 VanDerWaalsContact C-N 3.31Å; R1084-G1086 PolarHBondContact O-N 2.65Å; R1084-V1087 PolarHBondContact O-N 3.18Å; R1084-V1087 VanDerWaalsContact O-N 3.14Å; R1084-F1088 PolarHBondContact O-N 3.15Å
1085	T	98.8	Very high	97.4	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-56.3	-45.3	172.4	-59.2	0	0	0	0	111.4	A950 V1076 C1078 G1083 F1088 I1089 M1120	A950-T1085 HydrophobicContact CB-CG2 3.72Å; V1076-T1085 HydrophobicContact CB-CG2 4.01Å; V1076-T1085 HydrophobicContact CG1-CG2 3.82Å; C1078-T1085 PolarHBondContact N-OG1 3.27Å; C1078-T1085 PolarHBondContact SG-OG1 3.38Å; C1078-T1085 VanDerWaalsContact SG-OG1 3.35Å; G1083-T1085 VanDerWaalsContact C-N 3.26Å; G1083-T1085 PolarHBondContact O-N 2.89Å; T1085-F1088 PolarHBondContact O-N 3.4Å; T1085-I1089 HydrophobicContact CG2-CD1 4Å; T1085-I1089 WeakPolarHBondContact O-CG1 3.5Å; T1085-I1089 PolarHBondContact O-N 3.29Å; T1085-I1089 VanDerWaalsContact O-N 3.1Å; T1085-M1120 HydrophobicContact CG2-CE 4.3Å
1086	G	98.2	Very high	97	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-64.8	-36.8	174.9	0	0	0	0	0	113.4	V1082 G1083 R1084 T1090	V1082-G1086 WeakPolarHBondContact O-CA 3.11Å; V1082-G1086 PolarHBondContact O-N 3.43Å; G1083-G1086 WeakPolarHBondContact O-CA 3.48Å; G1083-G1086 PolarHBondContact O-N 2.75Å; R1084-G1086 VanDerWaalsContact C-N 3.31Å; R1084-G1086 PolarHBondContact O-N 2.65Å; G1086-T1090 WeakPolarHBondContact O-CB 3.34Å; G1086-T1090 PolarHBondContact O-N 3.37Å; G1086-T1090 PolarHBondContact O-OG1 3.49Å
1087	V	98.6	Very high	96.6	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-64.8	-48	175.1	174.5	0	0	0	0	111.3	W1042 F1054 G1083 R1084 I1089 T1090 L1091 V1121 Q1126 F1129	W1042-V1087 HydrophobicContact CH2-CB 4.02Å; W1042-V1087 HydrophobicContact CH2-CG1 3.93Å; W1042-V1087 HydrophobicContact CH2-CG2 4.08Å; W1042-V1087 HydrophobicContact CZ3-CB 4.48Å; W1042-V1087 HydrophobicContact CZ3-CG1 4.23Å; F1054-V1087 HydrophobicContact CE1-CG1 3.94Å; G1083-V1087 PolarHBondContact O-N 2.91Å; R1084-V1087 PolarHBondContact O-N 3.18Å; R1084-V1087 VanDerWaalsContact O-N 3.14Å; V1087-I1089 VanDerWaalsContact C-N 3.34Å; V1087-I1089 PolarHBondContact O-N 3.34Å; V1087-T1090 PolarHBondContact O-N 2.66Å; V1087-L1091 HydrophobicContact CG1-CD1 3.89Å; V1087-L1091 HydrophobicContact CG1-CG 4.49Å; V1087-L1091 WeakPolarHBondContact O-CB 3.36Å; V1087-L1091 PolarHBondContact O-N 2.86Å; V1087-V1121 HydrophobicContact CG2-CG1 4.49Å; V1087-V1121 HydrophobicContact CG2-CG2 4.39Å; V1087-Q1126 HydrophobicContact CG2-CB 3.65Å; V1087-Q1126 HydrophobicContact CG2-CG 4.05Å; V1087-F1129 HydrophobicContact CG1-CD1 3.68Å; V1087-F1129 HydrophobicContact CG1-CE1 3.92Å
1088	F	98.8	Very high	96.2	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-57	-47.8	178.2	179.5	-90.2	0	0	0	111.9	Y948 V975 L977 F1054 F1057 I1058 V1061 V1076 R1084 T1085 S1092	Y948-F1088 HydrophobicContact CE1-CE1 4.27Å; V975-F1088 HydrophobicContact CB-CZ 4.49Å; V975-F1088 HydrophobicContact CG1-CD1 4.49Å; V975-F1088 HydrophobicContact CG1-CD2 4.05Å; V975-F1088 HydrophobicContact CG1-CE1 4.36Å; V975-F1088 HydrophobicContact CG1-CE2 3.9Å; V975-F1088 HydrophobicContact CG1-CG 4.35Å; V975-F1088 HydrophobicContact CG1-CZ 4.08Å; V975-F1088 HydrophobicContact CG2-CE1 4.23Å; V975-F1088 HydrophobicContact CG2-CE2 4.41Å; V975-F1088 HydrophobicContact CG2-CZ 3.88Å; L977-F1088 HydrophobicContact CD1-CB 3.63Å; L977-F1088 HydrophobicContact CD1-CG 4.27Å; L977-F1088 HydrophobicContact CD2-CD2 4.26Å; F1054-F1088 HydrophobicContact CE1-CB 4.3Å; F1054-F1088 HydrophobicContact CE1-CD2 4.38Å; F1054-F1088 HydrophobicContact CZ-CB 3.94Å; F1054-F1088 AromaticContact CZ-CD2 3.99Å; F1054-F1088 HydrophobicContact CZ-CD2 3.99Å; F1054-F1088 HydrophobicContact CZ-CG 4.49Å; F1057-F1088 HydrophobicContact CD1-CD2 4.22Å; F1057-F1088 AromaticContact CD1-CE2 3.91Å; F1057-F1088 HydrophobicContact CD1-CE2 3.91Å; F1057-F1088 AromaticContact CE1-CD2 3.98Å; F1057-F1088 HydrophobicContact CE1-CD2 3.98Å; F1057-F1088 AromaticContact CE1-CE2 3.66Å; F1057-F1088 HydrophobicContact CE1-CE2 3.66Å; I1058-F1088 HydrophobicContact CB-CE2 4.42Å; I1058-F1088 HydrophobicContact CD1-CD2 4.42Å; I1058-F1088 HydrophobicContact CG1-CD2 3.73Å; I1058-F1088 HydrophobicContact CG1-CE2 3.57Å; I1058-F1088 HydrophobicContact CG1-CZ 4.35Å; V1061-F1088 HydrophobicContact CB-CZ 4.31Å; V1061-F1088 HydrophobicContact CG1-CZ 4.08Å; V1061-F1088 HydrophobicContact CG2-CE2 4.5Å; V1061-F1088 HydrophobicContact CG2-CZ 4.38Å; V1076-F1088 HydrophobicContact CB-CD1 4.45Å; V1076-F1088 HydrophobicContact CG1-CB 4.25Å; V1076-F1088 HydrophobicContact CG1-CD1 3.78Å; V1076-F1088 HydrophobicContact CG1-CE1 4.49Å; V1076-F1088 HydrophobicContact CG1-CG 4.15Å; V1076-F1088 HydrophobicContact CG2-CD1 3.75Å; V1076-F1088 HydrophobicContact CG2-CE1 3.82Å; R1084-F1088 PolarHBondContact O-N 3.15Å; T1085-F1088 PolarHBondContact O-N 3.4Å; F1088-S1092 WeakPolarHBondContact O-CB 3.33Å; F1088-S1092 PolarHBondContact O-N 2.9Å; F1088-S1092 PolarHBondContact O-OG 3.03Å
1089	I	98.6	Very high	95.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-70.8	-42.9	-178.3	-61.7	171.3	0	0	0	110.6	I939 Y948 A950 V1076 T1085 V1087 L1091 S1092 I1093 L1113 M1120	I939-I1089 HydrophobicContact CB-CD1 4.45Å; I939-I1089 HydrophobicContact CG1-CD1 4.36Å; I939-I1089 HydrophobicContact CG2-CD1 4.3Å; I939-I1089 HydrophobicContact CG2-CG2 3.88Å; Y948-I1089 HydrophobicContact CD1-CG1 4.19Å; Y948-I1089 HydrophobicContact CD2-CG2 3.86Å; Y948-I1089 HydrophobicContact CE2-CG2 4Å; Y948-I1089 HydrophobicContact CG-CD1 4.27Å; Y948-I1089 HydrophobicContact CG-CG1 4.13Å; Y948-I1089 HydrophobicContact CG-CG2 4.33Å; A950-I1089 HydrophobicContact CB-CD1 4.08Å; V1076-I1089 HydrophobicContact CB-CD1 4.45Å; V1076-I1089 HydrophobicContact CG2-CD1 4.44Å; V1076-I1089 HydrophobicContact CG2-CG1 4.27Å; T1085-I1089 HydrophobicContact CG2-CD1 4Å; T1085-I1089 WeakPolarHBondContact O-CG1 3.5Å; T1085-I1089 PolarHBondContact O-N 3.29Å; T1085-I1089 VanDerWaalsContact O-N 3.1Å; V1087-I1089 VanDerWaalsContact C-N 3.34Å; V1087-I1089 PolarHBondContact O-N 3.34Å; I1089-L1091 PolarHBondContact O-N 2.9Å; I1089-S1092 PolarHBondContact O-N 2.81Å; I1089-I1093 HydrophobicContact CG2-CD1 3.84Å; I1089-I1093 HydrophobicContact CG2-CG1 4.47Å; I1089-I1093 WeakPolarHBondContact O-CG1 3.38Å; I1089-I1093 PolarHBondContact O-N 2.96Å; I1089-L1113 HydrophobicContact CB-CD1 4.15Å; I1089-L1113 HydrophobicContact CG2-CD1 4.01Å; I1089-L1113 HydrophobicContact CG2-CD2 3.82Å; I1089-M1120 HydrophobicContact CD1-CE 3.9Å
1090	T	98.4	Very high	94.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-55.5	-50.7	175.6	-63.1	0	0	0	0	110.8	G1086 V1087 I1093 V1094 I1106 T1109 V1110 L1113 C1130	G1086-T1090 WeakPolarHBondContact O-CB 3.34Å; G1086-T1090 PolarHBondContact O-N 3.37Å; G1086-T1090 PolarHBondContact O-OG1 3.49Å; V1087-T1090 PolarHBondContact O-N 2.66Å; T1090-I1093 PolarHBondContact O-N 3.19Å; T1090-V1094 HydrophobicContact CG2-CG2 4.22Å; T1090-V1094 WeakPolarHBondContact O-CB 3.42Å; T1090-V1094 VanDerWaalsContact O-CG2 3.24Å; T1090-V1094 WeakPolarHBondContact O-CG2 3.21Å; T1090-V1094 PolarHBondContact O-N 3.45Å; T1090-I1106 HydrophobicContact CG2-CG2 4.42Å; T1090-T1109 HydrophobicContact CG2-CG2 4.02Å; T1090-V1110 HydrophobicContact CG2-CG2 3.9Å; T1090-L1113 VanDerWaalsContact OG1-CD1 3.28Å; T1090-L1113 WeakPolarHBondContact OG1-CD1 3.16Å; T1090-C1130 HydrophobicContact CG2-CB 4.28Å
1091	L	98.1	Very high	94.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-67.7	-39.6	179.6	-73.7	174.7	0	0	0	111.9	F1054 I1058 V1087 I1089 I1093 V1094 L1095 F1129 C1130 A1133	F1054-L1091 HydrophobicContact CD1-CD1 3.76Å; F1054-L1091 HydrophobicContact CE1-CD1 4.02Å; I1058-L1091 HydrophobicContact CD1-CB 3.54Å; I1058-L1091 HydrophobicContact CD1-CD1 4.31Å; V1087-L1091 HydrophobicContact CG1-CD1 3.89Å; V1087-L1091 HydrophobicContact CG1-CG 4.49Å; V1087-L1091 WeakPolarHBondContact O-CB 3.36Å; V1087-L1091 PolarHBondContact O-N 2.86Å; I1089-L1091 PolarHBondContact O-N 2.9Å; L1091-I1093 VanDerWaalsContact C-N 3.26Å; L1091-I1093 PolarHBondContact O-N 2.77Å; L1091-V1094 PolarHBondContact O-N 3Å; L1091-L1095 HydrophobicContact CB-CD1 4.21Å; L1091-L1095 HydrophobicContact CB-CG 4.44Å; L1091-L1095 HydrophobicContact CD2-CD2 4.46Å; L1091-L1095 HydrophobicContact CD2-CG 4.48Å; L1091-L1095 VanDerWaalsContact O-CB 3.28Å; L1091-L1095 WeakPolarHBondContact O-CB 2.97Å; L1091-L1095 WeakPolarHBondContact O-CG 3.26Å; L1091-L1095 PolarHBondContact O-N 2.69Å; L1091-F1129 HydrophobicContact CD1-CE1 4.16Å; L1091-C1130 HydrophobicContact CD2-CB 4.37Å; L1091-C1130 WeakPolarHBondContact CD2-O 3.38Å; L1091-A1133 HydrophobicContact CD1-CB 3.75Å; L1091-A1133 HydrophobicContact CD2-CB 3.86Å; L1091-A1133 HydrophobicContact CG-CB 4.49Å
1092	S	97.5	Very high	93.7	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.021	11%	0.106	C	C	.	.	H	α-helix	trans	-55.6	-42.8	174.6	-63.7	0	0	0	0	112.1	Y948 H1062 F1088 I1089 E1096	Y948-S1092 WeakPolarHBondContact OH-CB 3.46Å; H1062-S1092 WeakPolarHBondContact NE2-CB 3.14Å; H1062-S1092 PolarHBondContact NE2-OG 3.16Å; F1088-S1092 WeakPolarHBondContact O-CB 3.33Å; F1088-S1092 PolarHBondContact O-N 2.9Å; F1088-S1092 PolarHBondContact O-OG 3.03Å; I1089-S1092 PolarHBondContact O-N 2.81Å; S1092-E1096 WeakPolarHBondContact O-CB 3.18Å
1093	I	95.9	Very high	93.3	Very high	6 Å²	6	24.2 Å²	24.2	3%	0.031	11%	0.112	C	C	.	.	H	α-helix	trans	-71.7	-47.9	178	-65.4	167	0	0	0	111.2	I1089 T1090 L1091 R1097 T1109 M1112 L1113	I1089-I1093 HydrophobicContact CG2-CD1 3.84Å; I1089-I1093 HydrophobicContact CG2-CG1 4.47Å; I1089-I1093 WeakPolarHBondContact O-CG1 3.38Å; I1089-I1093 PolarHBondContact O-N 2.96Å; T1090-I1093 PolarHBondContact O-N 3.19Å; L1091-I1093 VanDerWaalsContact C-N 3.26Å; L1091-I1093 PolarHBondContact O-N 2.77Å; I1093-R1097 VanDerWaalsContact O-CB 3.28Å; I1093-R1097 WeakPolarHBondContact O-CB 3.27Å; I1093-R1097 PolarHBondContact O-N 3.26Å; I1093-T1109 HydrophobicContact CB-CG2 4.06Å; I1093-T1109 HydrophobicContact CD1-CG2 4.18Å; I1093-T1109 HydrophobicContact CG2-CG2 3.94Å; I1093-M1112 HydrophobicContact CD1-CE 3.9Å; I1093-L1113 HydrophobicContact CD1-CD2 4.02Å
1094	V	95.2	Very high	93.1	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.012	11%	0.112	C	C	.	.	H	α-helix	trans	-70	-41.4	-172	166.8	0	0	0	0	112.1	T1090 L1091 E1096 R1097 M1098 V1104 I1106 T1109	T1090-V1094 HydrophobicContact CG2-CG2 4.22Å; T1090-V1094 WeakPolarHBondContact O-CB 3.42Å; T1090-V1094 VanDerWaalsContact O-CG2 3.24Å; T1090-V1094 WeakPolarHBondContact O-CG2 3.21Å; T1090-V1094 PolarHBondContact O-N 3.45Å; L1091-V1094 PolarHBondContact O-N 3Å; V1094-E1096 VanDerWaalsContact C-N 3.34Å; V1094-R1097 PolarHBondContact O-N 3.06Å; V1094-M1098 VanDerWaalsContact O-CB 3.24Å; V1094-M1098 WeakPolarHBondContact O-CB 3.48Å; V1094-M1098 PolarHBondContact O-N 3Å; V1094-V1104 HydrophobicContact CG1-CG1 3.86Å; V1094-I1106 HydrophobicContact CB-CD1 4.31Å; V1094-I1106 HydrophobicContact CG1-CD1 3.81Å; V1094-I1106 HydrophobicContact CG2-CD1 3.97Å; V1094-T1109 HydrophobicContact CG2-CG2 4.02Å; V1094-T1109 WeakPolarHBondContact CG2-OG1 3.46Å
1095	L	93.6	Very high	92.8	Very high	9 Å²	9	23.2 Å²	23.2	5%	0.047	11%	0.108	C	C	.	.	H	α-helix	trans	-67.8	-38.5	-180	-58.8	175.8	0	0	0	110.7	I1055 I1058 L1091 R1099 Y1137	I1055-L1095 HydrophobicContact CG1-CD1 4.25Å; I1055-L1095 HydrophobicContact CG2-CD1 4.39Å; I1058-L1095 HydrophobicContact CD1-CD1 4.38Å; L1091-L1095 HydrophobicContact CB-CD1 4.21Å; L1091-L1095 HydrophobicContact CB-CG 4.44Å; L1091-L1095 HydrophobicContact CD2-CD2 4.46Å; L1091-L1095 HydrophobicContact CD2-CG 4.48Å; L1091-L1095 VanDerWaalsContact O-CB 3.28Å; L1091-L1095 WeakPolarHBondContact O-CB 2.97Å; L1091-L1095 WeakPolarHBondContact O-CG 3.26Å; L1091-L1095 PolarHBondContact O-N 2.69Å; L1095-R1099 WeakPolarHBondContact O-CB 3.33Å; L1095-R1099 PolarHBondContact O-N 3.26Å; L1095-R1099 VanDerWaalsContact O-N 3.11Å; L1095-Y1137 HydrophobicContact CB-CD1 4.05Å; L1095-Y1137 HydrophobicContact CB-CE1 3.79Å; L1095-Y1137 HydrophobicContact CD2-CD1 3.34Å; L1095-Y1137 HydrophobicContact CD2-CD2 4.45Å; L1095-Y1137 HydrophobicContact CD2-CE1 4.01Å; L1095-Y1137 HydrophobicContact CD2-CG 3.57Å; L1095-Y1137 HydrophobicContact CG-CD1 4.2Å; L1095-Y1137 HydrophobicContact CG-CE1 4.43Å; L1095-Y1137 HydrophobicContact CG-CG 4.49Å; L1095-Y1137 WeakPolarHBondContact O-CE1 3.47Å
1096	E	90.7	Very high	92.6	Very high	45 Å²	45	23.2 Å²	23.2	21%	0.21	11%	0.108	C	C	.	.	H	α-helix	trans	-65	-48.3	173.2	-166.1	-178.6	177.3	0	0	111	Y942 R943 S1092 V1094 M1098 R1099 Y1100	Y942-E1096 HydrophobicContact CD1-CB 4.23Å; Y942-E1096 HydrophobicContact CD1-CG 3.7Å; Y942-E1096 HydrophobicContact CE1-CG 4.28Å; Y942-E1096 HydrophobicContact CG-CG 4.47Å; R943-E1096 VanDerWaalsContact CD-OE1 3.23Å; R943-E1096 WeakPolarHBondContact CD-OE1 3.26Å; R943-E1096 IonicContact CZ-OE1 2.95Å; R943-E1096 IonicContact NE-OE1 2.86Å; R943-E1096 PolarHBondContact NE-OE1 2.94Å; S1092-E1096 WeakPolarHBondContact O-CB 3.18Å; V1094-E1096 VanDerWaalsContact C-N 3.34Å; E1096-M1098 VanDerWaalsContact C-N 3.33Å; E1096-M1098 PolarHBondContact O-N 2.86Å; E1096-R1099 WeakPolarHBondContact O-CB 3.45Å; E1096-R1099 PolarHBondContact O-N 2.96Å; E1096-R1099 VanDerWaalsContact O-N 3.13Å; E1096-Y1100 HydrophobicContact CG-CD2 3.85Å; E1096-Y1100 HydrophobicContact CG-CE2 3.79Å; E1096-Y1100 VanDerWaalsContact O-CD2 3.26Å; E1096-Y1100 WeakPolarHBondContact O-CD2 3.48Å; E1096-Y1100 PolarHBondContact O-N 2.87Å; E1096-Y1100 VanDerWaalsContact O-N 3.12Å
1097	R	89.6	Confident	92.4	Very high	33 Å²	33	23.2 Å²	23.2	13%	0.125	11%	0.108	C	C	.	.	H	α-helix	trans	-60.4	-41.4	177.4	-174.3	173.3	-176.1	-150.5	-7.7	112.6	E853 Y942 I1093 V1094 R1099 Y1100 E1101	E853-R1097 IonicContact OE2-CZ 2.9Å; E853-R1097 IonicContact OE2-NH1 2.75Å; E853-R1097 IonicContact OE2-NH2 3.84Å; E853-R1097 PolarHBondContact OE2-NH2 3Å; Y942-R1097 HydrophobicContact CD2-CB 3.9Å; Y942-R1097 HydrophobicContact CD2-CG 4.25Å; Y942-R1097 HydrophobicContact CE2-CB 3.71Å; Y942-R1097 HydrophobicContact CE2-CG 3.66Å; I1093-R1097 VanDerWaalsContact O-CB 3.28Å; I1093-R1097 WeakPolarHBondContact O-CB 3.27Å; I1093-R1097 PolarHBondContact O-N 3.26Å; V1094-R1097 PolarHBondContact O-N 3.06Å; R1097-R1099 VanDerWaalsContact C-N 3.29Å; R1097-R1099 PolarHBondContact O-N 2.78Å; R1097-Y1100 PolarHBondContact O-N 3.25Å; R1097-E1101 HydrophobicContact CG-CB 4.42Å; R1097-E1101 HydrophobicContact CG-CG 4.43Å; R1097-E1101 IonicContact CZ-OE2 2.71Å; R1097-E1101 IonicContact NE-OE1 2.63Å; R1097-E1101 IonicContact NE-OE2 2.88Å; R1097-E1101 PolarHBondContact NE-OE2 3.11Å; R1097-E1101 IonicContact NH2-OE2 3.06Å; R1097-E1101 PolarHBondContact NH2-OE2 3.1Å; R1097-E1101 WeakPolarHBondContact O-CB 3.48Å; R1097-E1101 PolarHBondContact O-N 2.7Å
1098	M	89.4	Confident	91.9	Very high	7 Å²	7	23.9 Å²	23.9	3%	0.034	11%	0.111	C	C	.	.	H	α-helix	trans	-61.1	-40.4	176.4	-170.1	-165.8	-62.5	0	0	111.1	A856 L859 V1094 E1096 G1102 V1103 V1104 G1134 Y1137 L1138	A856-M1098 HydrophobicContact CB-CG 4.1Å; L859-M1098 HydrophobicContact CD2-CE 4.18Å; V1094-M1098 VanDerWaalsContact O-CB 3.24Å; V1094-M1098 WeakPolarHBondContact O-CB 3.48Å; V1094-M1098 PolarHBondContact O-N 3Å; E1096-M1098 VanDerWaalsContact C-N 3.33Å; E1096-M1098 PolarHBondContact O-N 2.86Å; M1098-G1102 VanDerWaalsContact O-CA 3.28Å; M1098-G1102 WeakPolarHBondContact O-CA 3.06Å; M1098-G1102 PolarHBondContact O-N 3.34Å; M1098-V1103 WeakPolarHBondContact CA-O 3.05Å; M1098-V1104 HydrophobicContact CB-CG2 4.18Å; M1098-V1104 HydrophobicContact CE-CG2 3.36Å; M1098-V1104 HydrophobicContact CG-CG2 3.83Å; M1098-V1104 HydrophobicContact SD-CG2 4.26Å; M1098-G1134 VanDerWaalsContact CE-O 3.28Å; M1098-G1134 WeakPolarHBondContact CE-O 3.34Å; M1098-Y1137 HydrophobicContact CE-CD1 4.41Å; M1098-Y1137 HydrophobicContact SD-CD1 3.84Å; M1098-Y1137 HydrophobicContact SD-CE1 4.4Å; M1098-L1138 HydrophobicContact SD-CB 4.09Å; M1098-L1138 HydrophobicContact SD-CD1 4.24Å
1099	R	86.3	Confident	91.6	Very high	156 Å²	156	24.3 Å²	24.3	59%	0.589	11%	0.113	S	C	*	.	H	α-helix	trans	-64.4	-39.2	177.3	177.2	172	-177.7	-168.6	0.3	113.2	L1095 E1096 R1097 F1141	L1095-R1099 WeakPolarHBondContact O-CB 3.33Å; L1095-R1099 PolarHBondContact O-N 3.26Å; L1095-R1099 VanDerWaalsContact O-N 3.11Å; E1096-R1099 WeakPolarHBondContact O-CB 3.45Å; E1096-R1099 PolarHBondContact O-N 2.96Å; E1096-R1099 VanDerWaalsContact O-N 3.13Å; R1097-R1099 VanDerWaalsContact C-N 3.29Å; R1097-R1099 PolarHBondContact O-N 2.78Å; R1099-F1141 HydrophobicContact CB-CE2 4.39Å; R1099-F1141 HydrophobicContact CB-CZ 3.78Å; R1099-F1141 HydrophobicContact CG-CZ 3.85Å
1100	Y	81.4	Confident	91.4	Very high	124 Å²	124	24.3 Å²	24.3	49%	0.486	11%	0.113	S	C	.	.	H	α-helix	trans	-94.2	-33.5	-174.6	-74.1	-75.6	0	0	0	114.4	Y942 R943 E1096 R1097	Y942-Y1100 HydrophobicContact CE1-CD2 4.16Å; R943-Y1100 VanDerWaalsContact NH2-CD2 3.26Å; E1096-Y1100 HydrophobicContact CG-CD2 3.85Å; E1096-Y1100 HydrophobicContact CG-CE2 3.79Å; E1096-Y1100 VanDerWaalsContact O-CD2 3.26Å; E1096-Y1100 WeakPolarHBondContact O-CD2 3.48Å; E1096-Y1100 PolarHBondContact O-N 2.87Å; E1096-Y1100 VanDerWaalsContact O-N 3.12Å; R1097-Y1100 PolarHBondContact O-N 3.25Å
1101	E	81.8	Confident	91.1	Very high	38 Å²	38	25.8 Å²	25.8	18%	0.178	12%	0.12	C	C	.	.	H	α-helix	trans	-109.6	-16.1	-175.3	-66.4	174.8	-152.4	0	0	113.5	Y942 R1097 V1103	Y942-E1101 WeakPolarHBondContact CE2-OE1 3.28Å; Y942-E1101 WeakPolarHBondContact OH-CG 3.49Å; Y942-E1101 PolarHBondContact OH-OE1 3.41Å; R1097-E1101 HydrophobicContact CG-CB 4.42Å; R1097-E1101 HydrophobicContact CG-CG 4.43Å; R1097-E1101 IonicContact CZ-OE2 2.71Å; R1097-E1101 IonicContact NE-OE1 2.63Å; R1097-E1101 IonicContact NE-OE2 2.88Å; R1097-E1101 PolarHBondContact NE-OE2 3.11Å; R1097-E1101 IonicContact NH2-OE2 3.06Å; R1097-E1101 PolarHBondContact NH2-OE2 3.1Å; R1097-E1101 WeakPolarHBondContact O-CB 3.48Å; R1097-E1101 PolarHBondContact O-N 2.7Å; E1101-V1103 HydrophobicContact CB-CG2 3.82Å; E1101-V1103 PolarHBondContact O-N 3.15Å
1102	G	85.4	Confident	90.6	Very high	34 Å²	34	27.2 Å²	27.2	35%	0.351	13%	0.127	S	C	.	.	S	Bend	trans	66.8	23.3	-175.8	0	0	0	0	0	113.7	A856 M1098	A856-G1102 WeakPolarHBondContact CB-O 3.2Å; A856-G1102 PolarHBondContact N-O 3.34Å; M1098-G1102 VanDerWaalsContact O-CA 3.28Å; M1098-G1102 WeakPolarHBondContact O-CA 3.06Å; M1098-G1102 PolarHBondContact O-N 3.34Å
1103	V	88.6	Confident	90.4	Very high	22 Å²	22	27.1 Å²	27.1	13%	0.133	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	158.1	177.9	-57.4	0	0	0	0	111.3	E853 V854 M1098 E1101	E853-V1103 HydrophobicContact CG-CB 4.1Å; E853-V1103 HydrophobicContact CG-CG2 4.28Å; V854-V1103 CarbonylContact O-C 3.58Å; V854-V1103 WeakPolarHBondContact O-CA 3.29Å; M1098-V1103 WeakPolarHBondContact CA-O 3.05Å; E1101-V1103 HydrophobicContact CB-CG2 3.82Å; E1101-V1103 PolarHBondContact O-N 3.15Å
1104	V	91.1	Very high	90.2	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.024	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	132.2	-177.6	179.6	0	0	0	0	109.2	V854 L859 V1094 M1098 I1106	V854-V1104 PolarHBondContact N-O 3.2Å; V854-V1104 PolarHBondContact O-N 3.26Å; L859-V1104 HydrophobicContact CD1-CB 4.31Å; L859-V1104 HydrophobicContact CD1-CG1 4.07Å; L859-V1104 HydrophobicContact CD2-CG2 4.27Å; V1094-V1104 HydrophobicContact CG1-CG1 3.86Å; M1098-V1104 HydrophobicContact CB-CG2 4.18Å; M1098-V1104 HydrophobicContact CE-CG2 3.36Å; M1098-V1104 HydrophobicContact CG-CG2 3.83Å; M1098-V1104 HydrophobicContact SD-CG2 4.26Å; V1104-I1106 HydrophobicContact CG1-CD1 4.27Å; V1104-I1106 HydrophobicContact CG1-CG1 3.98Å
1105	D	92.1	Very high	89.8	Confident	4 Å²	4	29.3 Å²	29.3	2%	0.021	14%	0.136	C	C	.	.			trans	-143.9	84.2	173.2	-164.3	-23.2	0	0	0	109.6	T852 E853 F1107 Q1108 T1109	T852-D1105 WeakPolarHBondContact CB-OD1 3.35Å; T852-D1105 PolarHBondContact OG1-OD1 3.3Å; T852-D1105 PolarHBondContact OG1-OD2 3.19Å; E853-D1105 HydrophobicContact CB-CB 4.14Å; E853-D1105 HydrophobicContact CG-CB 4.34Å; E853-D1105 PolarHBondContact N-OD2 3.43Å; D1105-F1107 VanDerWaalsContact C-N 3.35Å; D1105-Q1108 HydrophobicContact CB-CB 4.4Å; D1105-Q1108 VanDerWaalsContact CG-CG 3.41Å; D1105-Q1108 WeakPolarHBondContact OD1-CB 3.48Å; D1105-Q1108 WeakPolarHBondContact OD1-CG 3.09Å; D1105-Q1108 PolarHBondContact OD1-N 2.94Å; D1105-Q1108 WeakPolarHBondContact OD2-CB 3.33Å; D1105-Q1108 WeakPolarHBondContact OD2-CG 3.43Å; D1105-T1109 WeakPolarHBondContact O-CB 3.13Å; D1105-T1109 PolarHBondContact O-N 3.01Å; D1105-T1109 PolarHBondContact O-OG1 3.47Å
1106	I	95.2	Very high	89.7	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.6	-42.8	-178.8	-58.7	-77.4	0	0	0	109.6	T1090 V1094 V1104 T1109 V1110 Y1127 C1130 Y1131	T1090-I1106 HydrophobicContact CG2-CG2 4.42Å; V1094-I1106 HydrophobicContact CB-CD1 4.31Å; V1094-I1106 HydrophobicContact CG1-CD1 3.81Å; V1094-I1106 HydrophobicContact CG2-CD1 3.97Å; V1104-I1106 HydrophobicContact CG1-CD1 4.27Å; V1104-I1106 HydrophobicContact CG1-CG1 3.98Å; I1106-T1109 PolarHBondContact O-N 3.42Å; I1106-V1110 HydrophobicContact CG2-CG2 4.3Å; I1106-V1110 WeakPolarHBondContact O-CG2 3.38Å; I1106-V1110 PolarHBondContact O-N 3.42Å; I1106-Y1127 HydrophobicContact CG2-CD2 4.16Å; I1106-Y1127 HydrophobicContact CG2-CE2 3.61Å; I1106-C1130 HydrophobicContact CD1-CB 4.01Å; I1106-C1130 HydrophobicContact CG2-CB 3.98Å; I1106-Y1131 HydrophobicContact CB-CD2 4.36Å; I1106-Y1131 HydrophobicContact CB-CE1 4.02Å; I1106-Y1131 HydrophobicContact CB-CE2 3.85Å; I1106-Y1131 HydrophobicContact CG1-CD1 3.81Å; I1106-Y1131 HydrophobicContact CG1-CD2 4.28Å; I1106-Y1131 HydrophobicContact CG1-CE1 3.61Å; I1106-Y1131 HydrophobicContact CG1-CE2 4.14Å; I1106-Y1131 HydrophobicContact CG1-CG 4.13Å; I1106-Y1131 HydrophobicContact CG2-CD2 4.21Å; I1106-Y1131 HydrophobicContact CG2-CE2 3.93Å
1107	F	93.3	Very high	89.9	Confident	1 Å²	1	27.5 Å²	27.5	0%	0.004	13%	0.127	C	C	.	.	H	α-helix	trans	-59.3	-53.8	-178.3	-179.8	-92.8	0	0	0	112.2	C849 T852 E881 R884 L885 D1105 T1109 V1110 K1111 Y1127	C849-F1107 HydrophobicContact CB-CE1 3.65Å; C849-F1107 HydrophobicContact CB-CZ 4.24Å; T852-F1107 HydrophobicContact CG2-CB 3.84Å; T852-F1107 HydrophobicContact CG2-CD1 3.78Å; T852-F1107 HydrophobicContact CG2-CG 3.82Å; E881-F1107 HydrophobicContact CG-CB 4.32Å; E881-F1107 HydrophobicContact CG-CD2 3.5Å; E881-F1107 HydrophobicContact CG-CE2 4.16Å; E881-F1107 HydrophobicContact CG-CG 4.2Å; E881-F1107 VanDerWaalsContact O-CE2 3.31Å; E881-F1107 WeakPolarHBondContact O-CE2 3.38Å; R884-F1107 HydrophobicContact CB-CE2 3.96Å; R884-F1107 HydrophobicContact CB-CZ 4.17Å; L885-F1107 HydrophobicContact CD1-CD2 4.34Å; L885-F1107 HydrophobicContact CD2-CD2 3.65Å; L885-F1107 HydrophobicContact CD2-CE1 4.39Å; L885-F1107 HydrophobicContact CD2-CE2 3.46Å; L885-F1107 VanDerWaalsContact CD2-CE2 3.46Å; L885-F1107 HydrophobicContact CD2-CG 4.27Å; L885-F1107 HydrophobicContact CD2-CZ 3.87Å; L885-F1107 HydrophobicContact CG-CD2 3.82Å; L885-F1107 HydrophobicContact CG-CE2 3.58Å; L885-F1107 HydrophobicContact CG-CZ 4.39Å; D1105-F1107 VanDerWaalsContact C-N 3.35Å; F1107-T1109 VanDerWaalsContact C-N 3.28Å; F1107-T1109 PolarHBondContact O-N 2.83Å; F1107-V1110 PolarHBondContact O-N 3.47Å; F1107-K1111 HydrophobicContact CE1-CD 3.97Å; F1107-K1111 HydrophobicContact CZ-CD 4.48Å; F1107-K1111 VanDerWaalsContact O-CB 3.31Å; F1107-K1111 WeakPolarHBondContact O-CB 3.49Å; F1107-K1111 PolarHBondContact O-N 2.91Å; F1107-Y1127 WeakPolarHBondContact CA-OH 3.45Å; F1107-Y1127 VanDerWaalsContact CB-OH 3.28Å; F1107-Y1127 WeakPolarHBondContact CB-OH 3.49Å; F1107-Y1127 PolarHBondContact N-OH 3.45Å
1108	Q	88.7	Confident	90	Very high	14 Å²	14	26.7 Å²	26.7	7%	0.065	13%	0.126	C	C	.	.	H	α-helix	trans	-66	-34.2	-179.9	-64.8	-61.5	-24.5	0	0	111.7	T763 D1105 K1111 M1112	T763-Q1108 VanDerWaalsContact CG2-OE1 3.29Å; D1105-Q1108 HydrophobicContact CB-CB 4.4Å; D1105-Q1108 VanDerWaalsContact CG-CG 3.41Å; D1105-Q1108 WeakPolarHBondContact OD1-CB 3.48Å; D1105-Q1108 WeakPolarHBondContact OD1-CG 3.09Å; D1105-Q1108 PolarHBondContact OD1-N 2.94Å; D1105-Q1108 WeakPolarHBondContact OD2-CB 3.33Å; D1105-Q1108 WeakPolarHBondContact OD2-CG 3.43Å; Q1108-K1111 PolarHBondContact O-N 3.47Å; Q1108-M1112 VanDerWaalsContact O-CB 3.25Å; Q1108-M1112 WeakPolarHBondContact O-CB 3.43Å; Q1108-M1112 PolarHBondContact O-N 3.36Å
1109	T	93.3	Very high	90.1	Very high	8 Å²	8	28 Å²	28	5%	0.049	14%	0.138	C	C	.	.	H	α-helix	trans	-60.9	-52.2	175	-56.4	0	0	0	0	110.4	T1090 I1093 V1094 D1105 I1106 F1107 K1111 M1112 L1113	T1090-T1109 HydrophobicContact CG2-CG2 4.02Å; I1093-T1109 HydrophobicContact CB-CG2 4.06Å; I1093-T1109 HydrophobicContact CD1-CG2 4.18Å; I1093-T1109 HydrophobicContact CG2-CG2 3.94Å; V1094-T1109 HydrophobicContact CG2-CG2 4.02Å; V1094-T1109 WeakPolarHBondContact CG2-OG1 3.46Å; D1105-T1109 WeakPolarHBondContact O-CB 3.13Å; D1105-T1109 PolarHBondContact O-N 3.01Å; D1105-T1109 PolarHBondContact O-OG1 3.47Å; I1106-T1109 PolarHBondContact O-N 3.42Å; F1107-T1109 VanDerWaalsContact C-N 3.28Å; F1107-T1109 PolarHBondContact O-N 2.83Å; T1109-K1111 PolarHBondContact O-N 3.34Å; T1109-M1112 WeakPolarHBondContact O-CB 3.16Å; T1109-M1112 PolarHBondContact O-N 2.72Å; T1109-L1113 WeakPolarHBondContact O-CG 3.29Å; T1109-L1113 PolarHBondContact O-N 3.33Å
1110	V	94.8	Very high	90.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.5	-40.5	179.9	177.2	0	0	0	0	111.5	L885 T1090 I1106 F1107 M1112 L1113 R1114 M1120 V1121 Y1127	L885-V1110 HydrophobicContact CD1-CB 4.11Å; L885-V1110 HydrophobicContact CD1-CG1 3.7Å; L885-V1110 HydrophobicContact CD2-CG1 4.48Å; T1090-V1110 HydrophobicContact CG2-CG2 3.9Å; I1106-V1110 HydrophobicContact CG2-CG2 4.3Å; I1106-V1110 WeakPolarHBondContact O-CG2 3.38Å; I1106-V1110 PolarHBondContact O-N 3.42Å; F1107-V1110 PolarHBondContact O-N 3.47Å; V1110-M1112 VanDerWaalsContact C-N 3.35Å; V1110-M1112 PolarHBondContact O-N 3.32Å; V1110-L1113 PolarHBondContact O-N 3.28Å; V1110-R1114 WeakPolarHBondContact O-CG 3.18Å; V1110-R1114 PolarHBondContact O-N 3.11Å; V1110-M1120 WeakPolarHBondContact CG1-O 3.44Å; V1110-V1121 HydrophobicContact CG1-CB 3.9Å; V1110-V1121 HydrophobicContact CG1-CG2 4.1Å; V1110-V1121 HydrophobicContact CG2-CB 4.3Å; V1110-V1121 HydrophobicContact CG2-CG2 3.81Å; V1110-Y1127 HydrophobicContact CB-CE2 4.24Å; V1110-Y1127 HydrophobicContact CG2-CD2 4.07Å; V1110-Y1127 HydrophobicContact CG2-CE2 3.88Å
1111	K	90.4	Very high	91.3	Very high	31 Å²	31	14.7 Å²	14.7	14%	0.135	9%	0.087	C	C	.	.	H	α-helix	trans	-58.7	-46.4	174.9	-174.2	176.6	160.2	95	0	111.1	T763 E845 C849 L885 F1107 Q1108 T1109 L1113 R1114 T1115	T763-K1111 HydrophobicContact CG2-CD 4.45Å; T763-K1111 WeakPolarHBondContact OG1-CE 3.37Å; E845-K1111 WeakPolarHBondContact OE1-CE 3.47Å; E845-K1111 IonicContact OE1-NZ 2.64Å; E845-K1111 WeakPolarHBondContact OE2-CE 3.31Å; E845-K1111 IonicContact OE2-NZ 3.46Å; E845-K1111 PolarHBondContact OE2-NZ 3.45Å; C849-K1111 VanDerWaalsContact SG-CE 3.53Å; C849-K1111 PolarHBondContact SG-NZ 3.21Å; L885-K1111 HydrophobicContact CD2-CB 3.74Å; L885-K1111 HydrophobicContact CD2-CG 4.47Å; F1107-K1111 HydrophobicContact CE1-CD 3.97Å; F1107-K1111 HydrophobicContact CZ-CD 4.48Å; F1107-K1111 VanDerWaalsContact O-CB 3.31Å; F1107-K1111 WeakPolarHBondContact O-CB 3.49Å; F1107-K1111 PolarHBondContact O-N 2.91Å; Q1108-K1111 PolarHBondContact O-N 3.47Å; T1109-K1111 PolarHBondContact O-N 3.34Å; K1111-L1113 VanDerWaalsContact C-N 3.33Å; K1111-L1113 PolarHBondContact O-N 3.08Å; K1111-R1114 WeakPolarHBondContact O-CA 3.44Å; K1111-R1114 WeakPolarHBondContact O-CB 3.49Å; K1111-R1114 PolarHBondContact O-N 2.99Å; K1111-T1115 WeakPolarHBondContact O-CG2 3.3Å; K1111-T1115 PolarHBondContact O-N 3.08Å; K1111-T1115 VanDerWaalsContact O-N 3.14Å
1112	M	88.6	Confident	91.9	Very high	31 Å²	31	17.3 Å²	17.3	15%	0.153	10%	0.1	C	C	.	.	H	α-helix	trans	-61.3	-36.8	174.8	-177.2	-167.9	74	0	0	112.5	I1093 Q1108 T1109 V1110 R1114 T1115 Q1116	I1093-M1112 HydrophobicContact CD1-CE 3.9Å; Q1108-M1112 VanDerWaalsContact O-CB 3.25Å; Q1108-M1112 WeakPolarHBondContact O-CB 3.43Å; Q1108-M1112 PolarHBondContact O-N 3.36Å; T1109-M1112 WeakPolarHBondContact O-CB 3.16Å; T1109-M1112 PolarHBondContact O-N 2.72Å; V1110-M1112 VanDerWaalsContact C-N 3.35Å; V1110-M1112 PolarHBondContact O-N 3.32Å; M1112-R1114 VanDerWaalsContact C-N 3.31Å; M1112-T1115 PolarHBondContact O-N 3.41Å; M1112-T1115 PolarHBondContact O-OG1 3.09Å; M1112-Q1116 PolarHBondContact O-NE2 3.46Å; M1112-Q1116 VanDerWaalsContact O-NE2 3.13Å
1113	L	93.4	Very high	92.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.6	-38.4	173.1	-61.1	-170.4	0	0	0	111.3	I939 I1089 T1090 I1093 T1109 V1110 K1111 T1115 Q1116 R1117 M1120	I939-L1113 HydrophobicContact CG2-CD2 3.45Å; I939-L1113 VanDerWaalsContact CG2-CD2 3.45Å; I1089-L1113 HydrophobicContact CB-CD1 4.15Å; I1089-L1113 HydrophobicContact CG2-CD1 4.01Å; I1089-L1113 HydrophobicContact CG2-CD2 3.82Å; T1090-L1113 VanDerWaalsContact OG1-CD1 3.28Å; T1090-L1113 WeakPolarHBondContact OG1-CD1 3.16Å; I1093-L1113 HydrophobicContact CD1-CD2 4.02Å; T1109-L1113 WeakPolarHBondContact O-CG 3.29Å; T1109-L1113 PolarHBondContact O-N 3.33Å; V1110-L1113 PolarHBondContact O-N 3.28Å; K1111-L1113 VanDerWaalsContact C-N 3.33Å; K1111-L1113 PolarHBondContact O-N 3.08Å; L1113-T1115 VanDerWaalsContact C-N 3.28Å; L1113-T1115 PolarHBondContact O-N 3.06Å; L1113-Q1116 PolarHBondContact O-N 3.49Å; L1113-Q1116 VanDerWaalsContact O-N 3.11Å; L1113-R1117 PolarHBondContact O-N 3.34Å; L1113-M1120 HydrophobicContact CB-CB 3.67Å; L1113-M1120 HydrophobicContact CB-CE 4.45Å; L1113-M1120 HydrophobicContact CB-CG 3.97Å; L1113-M1120 HydrophobicContact CD1-CE 4.18Å
1114	R	91.9	Very high	92.7	Very high	37 Å²	37	19.6 Å²	19.6	14%	0.14	10%	0.103	C	C	.	.	H	α-helix	trans	-69.3	-20.1	179.7	-73.4	-175.1	178.3	-165.4	4.6	114.4	L885 Y915 V1110 K1111 M1112 Q1116 R1117 M1120 V1121	L885-R1114 PolarHBondContact O-NH1 3.31Å; Y915-R1114 WeakPolarHBondContact CE2-O 3.39Å; Y915-R1114 PolarHBondContact OH-O 2.85Å; Y915-R1114 VanDerWaalsContact OH-O 3.1Å; V1110-R1114 WeakPolarHBondContact O-CG 3.18Å; V1110-R1114 PolarHBondContact O-N 3.11Å; K1111-R1114 WeakPolarHBondContact O-CA 3.44Å; K1111-R1114 WeakPolarHBondContact O-CB 3.49Å; K1111-R1114 PolarHBondContact O-N 2.99Å; M1112-R1114 VanDerWaalsContact C-N 3.31Å; R1114-Q1116 VanDerWaalsContact C-N 3.31Å; R1114-R1117 VanDerWaalsContact CA-O 3.29Å; R1114-R1117 WeakPolarHBondContact CA-O 3.45Å; R1114-M1120 HydrophobicContact CG-CB 4.16Å; R1114-M1120 PolarHBondContact NE-O 3.49Å; R1114-V1121 PolarHBondContact NH2-O 3.43Å
1115	T	86.8	Confident	92.9	Very high	18 Å²	18	23.2 Å²	23.2	11%	0.11	12%	0.123	C	C	.	.	H	α-helix	trans	-73.6	-25.1	171.1	68	0	0	0	0	112.5	H761 Y915 K1111 M1112 L1113	H761-T1115 HydrophobicContact CB-CG2 3.72Å; H761-T1115 VanDerWaalsContact CD2-CB 3.48Å; H761-T1115 WeakPolarHBondContact CD2-CB 3.38Å; H761-T1115 VanDerWaalsContact CG-CG2 3.41Å; Y915-T1115 VanDerWaalsContact CD2-O 3.28Å; Y915-T1115 WeakPolarHBondContact CD2-O 3.49Å; Y915-T1115 VanDerWaalsContact CE2-O 3.23Å; Y915-T1115 WeakPolarHBondContact CE2-O 3.41Å; K1111-T1115 WeakPolarHBondContact O-CG2 3.3Å; K1111-T1115 PolarHBondContact O-N 3.08Å; K1111-T1115 VanDerWaalsContact O-N 3.14Å; M1112-T1115 PolarHBondContact O-N 3.41Å; M1112-T1115 PolarHBondContact O-OG1 3.09Å; L1113-T1115 VanDerWaalsContact C-N 3.28Å; L1113-T1115 PolarHBondContact O-N 3.06Å
1116	Q	91.8	Very high	93.2	Very high	15 Å²	15	24 Å²	24	7%	0.07	13%	0.126	C	C	.	.	H	α-helix	trans	-102.3	-30.3	-175.9	-62.1	171.8	68.8	0	0	113.3	Y915 T918 I939 M1112 L1113 R1114	Y915-Q1116 WeakPolarHBondContact CD2-O 3.39Å; T918-Q1116 HydrophobicContact CG2-CB 4.19Å; T918-Q1116 HydrophobicContact CG2-CG 4.34Å; T918-Q1116 PolarHBondContact OG1-O 3.5Å; I939-Q1116 VanDerWaalsContact CA-OE1 3.29Å; I939-Q1116 HydrophobicContact CD1-CB 3.67Å; M1112-Q1116 PolarHBondContact O-NE2 3.46Å; M1112-Q1116 VanDerWaalsContact O-NE2 3.13Å; L1113-Q1116 PolarHBondContact O-N 3.49Å; L1113-Q1116 VanDerWaalsContact O-N 3.11Å; R1114-Q1116 VanDerWaalsContact C-N 3.31Å
1117	R	94.1	Very high	93.3	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-146.1	132.7	170.6	-176.5	173.8	178.8	76.5	1	109.7	N935 S937 I939 A1080 G1081 V1082 L1113 R1114 M1120	N935-R1117 PolarHBondContact OD1-NH1 3.48Å; N935-R1117 VanDerWaalsContact OD1-NH1 3.16Å; N935-R1117 PolarHBondContact OD1-NH2 3.11Å; S937-R1117 PolarHBondContact OG-NH1 2.86Å; I939-R1117 HydrophobicContact CD1-CB 3.8Å; A1080-R1117 PolarHBondContact O-NH2 2.79Å; G1081-R1117 PolarHBondContact O-NE 3.14Å; V1082-R1117 HydrophobicContact CG1-CG 4.24Å; L1113-R1117 PolarHBondContact O-N 3.34Å; R1114-R1117 VanDerWaalsContact CA-O 3.29Å; R1114-R1117 WeakPolarHBondContact CA-O 3.45Å; R1117-M1120 HydrophobicContact CB-CG 3.93Å; R1117-M1120 HydrophobicContact CB-SD 4.14Å; R1117-M1120 HydrophobicContact CG-CG 4.37Å; R1117-M1120 HydrophobicContact CG-SD 4.14Å; R1117-M1120 VanDerWaalsContact O-CG 3.22Å; R1117-M1120 WeakPolarHBondContact O-CG 3.3Å
1118	P	91.8	Very high	93.4	Very high	17 Å²	17	26.8 Å²	26.8	11%	0.11	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	151.4	-176.3	26.2	-35.4	0	0	0	112.3	F895 M913 Y915 V1082 M1120	F895-P1118 HydrophobicContact CE1-CG 4.13Å; F895-P1118 HydrophobicContact CZ-CG 4.42Å; M913-P1118 WeakPolarHBondContact O-CD 3.33Å; M913-P1118 WeakPolarHBondContact O-CG 3.47Å; Y915-P1118 HydrophobicContact CE1-CB 4.22Å; Y915-P1118 HydrophobicContact CE1-CG 4.27Å; V1082-P1118 VanDerWaalsContact CG1-O 3.25Å; V1082-P1118 WeakPolarHBondContact CG1-O 3.4Å; P1118-M1120 PolarHBondContact O-N 3.5Å; P1118-M1120 VanDerWaalsContact O-N 3.1Å
1119	A	92.4	Very high	93.8	Very high	35 Å²	35	26.1 Å²	26.1	29%	0.289	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	20.9	170.9	0	0	0	0	0	116.4	I912 V1121	I912-A1119 HydrophobicContact CD1-CB 4.25Å; A1119-V1121 CarbonylContact O-C 3.58Å; A1119-V1121 PolarHBondContact O-N 2.92Å
1120	M	96.1	Very high	94.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-56	130.9	171.5	-67.2	-66.6	-80.7	0	0	110.3	A950 V1082 T1085 I1089 V1110 L1113 R1114 R1117 P1118	A950-M1120 HydrophobicContact CB-CE 4.13Å; V1082-M1120 HydrophobicContact CB-SD 4.29Å; V1082-M1120 HydrophobicContact CG1-SD 4.32Å; V1082-M1120 WeakPolarHBondContact O-CA 3.17Å; T1085-M1120 HydrophobicContact CG2-CE 4.3Å; I1089-M1120 HydrophobicContact CD1-CE 3.9Å; V1110-M1120 WeakPolarHBondContact CG1-O 3.44Å; L1113-M1120 HydrophobicContact CB-CB 3.67Å; L1113-M1120 HydrophobicContact CB-CE 4.45Å; L1113-M1120 HydrophobicContact CB-CG 3.97Å; L1113-M1120 HydrophobicContact CD1-CE 4.18Å; R1114-M1120 HydrophobicContact CG-CB 4.16Å; R1114-M1120 PolarHBondContact NE-O 3.49Å; R1117-M1120 HydrophobicContact CB-CG 3.93Å; R1117-M1120 HydrophobicContact CB-SD 4.14Å; R1117-M1120 HydrophobicContact CG-CG 4.37Å; R1117-M1120 HydrophobicContact CG-SD 4.14Å; R1117-M1120 VanDerWaalsContact O-CG 3.22Å; R1117-M1120 WeakPolarHBondContact O-CG 3.3Å; P1118-M1120 PolarHBondContact O-N 3.5Å; P1118-M1120 VanDerWaalsContact O-N 3.1Å
1121	V	96.8	Very high	94.1	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	57.2	93.6	-164	-173.7	0	0	0	0	110	V1082 V1087 V1110 R1114 A1119 Q1126 Y1127	V1082-V1121 PolarHBondContact O-N 2.91Å; V1087-V1121 HydrophobicContact CG2-CG1 4.49Å; V1087-V1121 HydrophobicContact CG2-CG2 4.39Å; V1110-V1121 HydrophobicContact CG1-CB 3.9Å; V1110-V1121 HydrophobicContact CG1-CG2 4.1Å; V1110-V1121 HydrophobicContact CG2-CB 4.3Å; V1110-V1121 HydrophobicContact CG2-CG2 3.81Å; R1114-V1121 PolarHBondContact NH2-O 3.43Å; A1119-V1121 CarbonylContact O-C 3.58Å; A1119-V1121 PolarHBondContact O-N 2.92Å; V1121-Q1126 HydrophobicContact CG1-CB 3.82Å; V1121-Y1127 HydrophobicContact CG1-CD2 4.26Å
1122	Q	93.7	Very high	94.4	Very high	93 Å²	93	28.7 Å²	28.7	44%	0.435	14%	0.144	S	C	.	.			trans	-86.3	-28.7	-160.5	-170.5	175	22.8	0	0	113.5
1123	T	95.2	Very high	94.7	Very high	57 Å²	57	27.2 Å²	27.2	35%	0.35	14%	0.137	S	C	.	.	S	Bend	trans	-126.4	156.9	-174.4	64.4	0	0	0	0	111.4	F882 D1125 Q1126 Y1127	F882-T1123 VanDerWaalsContact CZ-C 3.44Å; T1123-D1125 VanDerWaalsContact C-N 3.33Å; T1123-D1125 PolarHBondContact O-N 3.46Å; T1123-Q1126 WeakPolarHBondContact O-CB 3.44Å; T1123-Q1126 PolarHBondContact O-N 3.44Å; T1123-Q1126 VanDerWaalsContact O-N 3.16Å; T1123-Q1126 VanDerWaalsContact OG1-CD 3.3Å; T1123-Q1126 VanDerWaalsContact OG1-CG 3.24Å; T1123-Q1126 WeakPolarHBondContact OG1-CG 3.24Å; T1123-Q1126 PolarHBondContact OG1-N 3.05Å; T1123-Y1127 PolarHBondContact O-N 3.01Å; T1123-Y1127 VanDerWaalsContact O-N 3.17Å
1124	E	94.9	Very high	94.7	Very high	46 Å²	46	27.2 Å²	27.2	22%	0.215	14%	0.137	C	C	.	.	H	α-helix	trans	-59.4	-43.1	176.1	-170	-169.3	152	0	0	111.6	F882 Q1126 Y1127 Q1128	F882-E1124 HydrophobicContact CB-CG 4.41Å; F882-E1124 HydrophobicContact CD1-CB 3.97Å; F882-E1124 HydrophobicContact CD1-CG 4.4Å; F882-E1124 HydrophobicContact CE1-CB 4.27Å; F882-E1124 HydrophobicContact CG-CB 4.37Å; F882-E1124 HydrophobicContact CG-CG 4.46Å; E1124-Q1126 PolarHBondContact O-N 2.77Å; E1124-Q1126 VanDerWaalsContact O-N 3.16Å; E1124-Y1127 CarbonylContact O-C 3.55Å; E1124-Y1127 WeakPolarHBondContact O-CA 3.28Å; E1124-Y1127 VanDerWaalsContact O-CB 3.24Å; E1124-Y1127 WeakPolarHBondContact O-CB 3.3Å; E1124-Y1127 PolarHBondContact O-N 2.97Å; E1124-Q1128 HydrophobicContact CG-CG 4.4Å; E1124-Q1128 PolarHBondContact O-N 2.82Å; E1124-Q1128 PolarHBondContact OE1-NE2 3.22Å
1125	D	95.9	Very high	94.8	Very high	81 Å²	81	27.7 Å²	27.7	43%	0.433	14%	0.142	S	C	.	.	H	α-helix	trans	-56.4	-35.7	176.8	-64.3	-15.5	0	0	0	113	V1047 T1123 F1129	V1047-D1125 HydrophobicContact CG1-CB 3.95Å; V1047-D1125 HydrophobicContact CG2-CB 4.32Å; T1123-D1125 VanDerWaalsContact C-N 3.33Å; T1123-D1125 PolarHBondContact O-N 3.46Å; D1125-F1129 VanDerWaalsContact O-CB 3.28Å; D1125-F1129 WeakPolarHBondContact O-CB 3.46Å; D1125-F1129 PolarHBondContact O-N 3.05Å
1126	Q	97.6	Very high	95.1	Very high	19 Å²	19	29.8 Å²	29.8	9%	0.089	15%	0.151	C	C	.	.	H	α-helix	trans	-69.8	-38.3	176.2	-73.2	167.5	11	0	0	110.9	W1042 V1047 G1083 V1087 V1121 T1123 E1124 F1129 C1130	W1042-Q1126 HydrophobicContact CZ2-CG 4.42Å; V1047-Q1126 HydrophobicContact CG1-CG 3.94Å; G1083-Q1126 VanDerWaalsContact CA-OE1 3.23Å; V1087-Q1126 HydrophobicContact CG2-CB 3.65Å; V1087-Q1126 HydrophobicContact CG2-CG 4.05Å; V1121-Q1126 HydrophobicContact CG1-CB 3.82Å; T1123-Q1126 WeakPolarHBondContact O-CB 3.44Å; T1123-Q1126 PolarHBondContact O-N 3.44Å; T1123-Q1126 VanDerWaalsContact O-N 3.16Å; T1123-Q1126 VanDerWaalsContact OG1-CD 3.3Å; T1123-Q1126 VanDerWaalsContact OG1-CG 3.24Å; T1123-Q1126 WeakPolarHBondContact OG1-CG 3.24Å; T1123-Q1126 PolarHBondContact OG1-N 3.05Å; E1124-Q1126 PolarHBondContact O-N 2.77Å; E1124-Q1126 VanDerWaalsContact O-N 3.16Å; Q1126-F1129 WeakPolarHBondContact O-CB 3.3Å; Q1126-F1129 PolarHBondContact O-N 3.47Å; Q1126-C1130 PolarHBondContact O-N 3.02Å; Q1126-C1130 VanDerWaalsContact O-N 3.1Å; Q1126-C1130 PolarHBondContact O-SG 3.31Å
1127	Y	97.2	Very high	95.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.5	-46.8	175.9	-168.1	-109.4	0	0	0	111.8	M878 E881 F882 L885 I1106 F1107 V1110 V1121 T1123 E1124 F1129 C1130 Y1131	M878-Y1127 HydrophobicContact SD-CD1 3.74Å; M878-Y1127 HydrophobicContact SD-CE1 3.87Å; E881-Y1127 HydrophobicContact CG-CE1 4.31Å; E881-Y1127 PolarHBondContact OE1-OH 2.81Å; F882-Y1127 HydrophobicContact CB-CD1 4.04Å; F882-Y1127 HydrophobicContact CB-CE1 4.45Å; F882-Y1127 HydrophobicContact CB-CG 4.46Å; F882-Y1127 HydrophobicContact CD2-CD1 4.1Å; F882-Y1127 HydrophobicContact CD2-CD2 4.01Å; F882-Y1127 AromaticContact CD2-CG 3.65Å; F882-Y1127 HydrophobicContact CD2-CG 3.65Å; F882-Y1127 HydrophobicContact CE2-CG 4.4Å; F882-Y1127 HydrophobicContact CG-CG 4.45Å; L885-Y1127 HydrophobicContact CD1-CD2 4.07Å; L885-Y1127 HydrophobicContact CD1-CE2 3.63Å; I1106-Y1127 HydrophobicContact CG2-CD2 4.16Å; I1106-Y1127 HydrophobicContact CG2-CE2 3.61Å; F1107-Y1127 WeakPolarHBondContact CA-OH 3.45Å; F1107-Y1127 VanDerWaalsContact CB-OH 3.28Å; F1107-Y1127 WeakPolarHBondContact CB-OH 3.49Å; F1107-Y1127 PolarHBondContact N-OH 3.45Å; V1110-Y1127 HydrophobicContact CB-CE2 4.24Å; V1110-Y1127 HydrophobicContact CG2-CD2 4.07Å; V1110-Y1127 HydrophobicContact CG2-CE2 3.88Å; V1121-Y1127 HydrophobicContact CG1-CD2 4.26Å; T1123-Y1127 PolarHBondContact O-N 3.01Å; T1123-Y1127 VanDerWaalsContact O-N 3.17Å; E1124-Y1127 CarbonylContact O-C 3.55Å; E1124-Y1127 WeakPolarHBondContact O-CA 3.28Å; E1124-Y1127 VanDerWaalsContact O-CB 3.24Å; E1124-Y1127 WeakPolarHBondContact O-CB 3.3Å; E1124-Y1127 PolarHBondContact O-N 2.97Å; Y1127-F1129 VanDerWaalsContact C-N 3.29Å; Y1127-F1129 PolarHBondContact O-N 2.62Å; Y1127-C1130 WeakPolarHBondContact O-CB 3.16Å; Y1127-C1130 PolarHBondContact O-N 2.86Å; Y1127-C1130 VanDerWaalsContact O-N 3.14Å; Y1127-Y1131 HydrophobicContact CD1-CD2 4.44Å; Y1127-Y1131 HydrophobicContact CD1-CE2 4.21Å; Y1127-Y1131 HydrophobicContact CE1-CD2 4.23Å; Y1127-Y1131 AromaticContact CE1-CE2 3.56Å; Y1127-Y1131 HydrophobicContact CE1-CE2 3.56Å; Y1127-Y1131 AromaticContact CZ-CE2 3.82Å; Y1127-Y1131 PolarHBondContact O-N 2.75Å
1128	Q	96.3	Very high	94.8	Very high	60 Å²	60	33 Å²	33	28%	0.28	17%	0.166	S	C	.	.	H	α-helix	trans	-58.9	-40.2	172.2	-72.5	-174.5	18.2	0	0	112.2	M878 E1124 C1130 Y1131 R1132	M878-Q1128 HydrophobicContact CG-CG 3.56Å; M878-Q1128 HydrophobicContact SD-CG 4.14Å; E1124-Q1128 HydrophobicContact CG-CG 4.4Å; E1124-Q1128 PolarHBondContact O-N 2.82Å; E1124-Q1128 PolarHBondContact OE1-NE2 3.22Å; Q1128-C1130 VanDerWaalsContact C-N 3.31Å; Q1128-C1130 PolarHBondContact O-N 3.35Å; Q1128-Y1131 PolarHBondContact O-N 2.91Å; Q1128-R1132 PolarHBondContact O-N 2.77Å
1129	F	97.7	Very high	94.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.3	-37.5	176.2	179.8	-102.6	0	0	0	112.2	W1042 V1047 P1048 F1054 V1087 L1091 D1125 Q1126 Y1127 Y1131 R1132 A1133	W1042-F1129 HydrophobicContact CH2-CD1 4.47Å; W1042-F1129 HydrophobicContact CH2-CE1 4.5Å; V1047-F1129 HydrophobicContact CB-CB 4.08Å; V1047-F1129 HydrophobicContact CB-CD2 4.29Å; V1047-F1129 HydrophobicContact CB-CG 4.2Å; V1047-F1129 HydrophobicContact CG1-CB 4.23Å; V1047-F1129 HydrophobicContact CG2-CB 4.1Å; V1047-F1129 HydrophobicContact CG2-CD2 4.37Å; V1047-F1129 HydrophobicContact CG2-CG 4.49Å; P1048-F1129 HydrophobicContact CB-CE2 3.74Å; P1048-F1129 HydrophobicContact CB-CZ 3.98Å; P1048-F1129 HydrophobicContact CG-CE2 4.09Å; P1048-F1129 HydrophobicContact CG-CZ 3.94Å; P1048-F1129 WeakPolarHBondContact O-CD2 3.28Å; P1048-F1129 WeakPolarHBondContact O-CE2 3.42Å; F1054-F1129 HydrophobicContact CB-CZ 4.15Å; F1054-F1129 HydrophobicContact CD1-CE1 4.04Å; F1054-F1129 HydrophobicContact CG-CE1 4.36Å; F1054-F1129 HydrophobicContact CG-CZ 4.45Å; V1087-F1129 HydrophobicContact CG1-CD1 3.68Å; V1087-F1129 HydrophobicContact CG1-CE1 3.92Å; L1091-F1129 HydrophobicContact CD1-CE1 4.16Å; D1125-F1129 VanDerWaalsContact O-CB 3.28Å; D1125-F1129 WeakPolarHBondContact O-CB 3.46Å; D1125-F1129 PolarHBondContact O-N 3.05Å; Q1126-F1129 WeakPolarHBondContact O-CB 3.3Å; Q1126-F1129 PolarHBondContact O-N 3.47Å; Y1127-F1129 VanDerWaalsContact C-N 3.29Å; Y1127-F1129 PolarHBondContact O-N 2.62Å; F1129-Y1131 VanDerWaalsContact C-N 3.34Å; F1129-Y1131 PolarHBondContact O-N 2.74Å; F1129-R1132 PolarHBondContact O-N 3.3Å; F1129-A1133 WeakPolarHBondContact O-CB 3.41Å; F1129-A1133 PolarHBondContact O-N 2.99Å
1130	C	97.9	Very high	93.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.5	-43.7	174	-63.8	0	0	0	0	112	T1090 L1091 I1106 Q1126 Y1127 Q1128 G1134	T1090-C1130 HydrophobicContact CG2-CB 4.28Å; L1091-C1130 HydrophobicContact CD2-CB 4.37Å; L1091-C1130 WeakPolarHBondContact CD2-O 3.38Å; I1106-C1130 HydrophobicContact CD1-CB 4.01Å; I1106-C1130 HydrophobicContact CG2-CB 3.98Å; Q1126-C1130 PolarHBondContact O-N 3.02Å; Q1126-C1130 VanDerWaalsContact O-N 3.1Å; Q1126-C1130 PolarHBondContact O-SG 3.31Å; Y1127-C1130 WeakPolarHBondContact O-CB 3.16Å; Y1127-C1130 PolarHBondContact O-N 2.86Å; Y1127-C1130 VanDerWaalsContact O-N 3.14Å; Q1128-C1130 VanDerWaalsContact C-N 3.31Å; Q1128-C1130 PolarHBondContact O-N 3.35Å; C1130-G1134 PolarHBondContact O-N 3.1Å
1131	Y	96.5	Very high	92.2	Very high	5 Å²	5	37.8 Å²	37.8	2%	0.02	20%	0.199	C	C	.	.	H	α-helix	trans	-62.9	-44.5	174.8	-85.9	-72.8	0	0	0	112.5	L859 Y862 I863 L866 M878 E881 I1106 Y1127 Q1128 F1129 G1134 L1135	L859-Y1131 HydrophobicContact CD1-CD1 4.26Å; L859-Y1131 HydrophobicContact CD1-CE1 4.47Å; Y862-Y1131 HydrophobicContact CD1-CE1 4.12Å; Y862-Y1131 AromaticContact CE1-CE1 3.97Å; Y862-Y1131 HydrophobicContact CE1-CE1 3.97Å; I863-Y1131 HydrophobicContact CD1-CD1 4.2Å; I863-Y1131 HydrophobicContact CG1-CD1 3.86Å; I863-Y1131 HydrophobicContact CG1-CG 4.36Å; L866-Y1131 HydrophobicContact CD1-CE1 4.25Å; L866-Y1131 HydrophobicContact CD1-CE2 4.07Å; M878-Y1131 HydrophobicContact CE-CD2 3.54Å; M878-Y1131 HydrophobicContact CE-CE2 4.01Å; M878-Y1131 HydrophobicContact CE-CG 3.95Å; M878-Y1131 HydrophobicContact SD-CD2 3.54Å; M878-Y1131 VanDerWaalsContact SD-CD2 3.54Å; M878-Y1131 HydrophobicContact SD-CE2 3.69Å; E881-Y1131 PolarHBondContact OE1-OH 3.02Å; I1106-Y1131 HydrophobicContact CB-CD2 4.36Å; I1106-Y1131 HydrophobicContact CB-CE1 4.02Å; I1106-Y1131 HydrophobicContact CB-CE2 3.85Å; I1106-Y1131 HydrophobicContact CG1-CD1 3.81Å; I1106-Y1131 HydrophobicContact CG1-CD2 4.28Å; I1106-Y1131 HydrophobicContact CG1-CE1 3.61Å; I1106-Y1131 HydrophobicContact CG1-CE2 4.14Å; I1106-Y1131 HydrophobicContact CG1-CG 4.13Å; I1106-Y1131 HydrophobicContact CG2-CD2 4.21Å; I1106-Y1131 HydrophobicContact CG2-CE2 3.93Å; Y1127-Y1131 HydrophobicContact CD1-CD2 4.44Å; Y1127-Y1131 HydrophobicContact CD1-CE2 4.21Å; Y1127-Y1131 HydrophobicContact CE1-CD2 4.23Å; Y1127-Y1131 AromaticContact CE1-CE2 3.56Å; Y1127-Y1131 HydrophobicContact CE1-CE2 3.56Å; Y1127-Y1131 AromaticContact CZ-CE2 3.82Å; Y1127-Y1131 PolarHBondContact O-N 2.75Å; Q1128-Y1131 PolarHBondContact O-N 2.91Å; F1129-Y1131 VanDerWaalsContact C-N 3.34Å; F1129-Y1131 PolarHBondContact O-N 2.74Å; Y1131-G1134 PolarHBondContact O-N 3.42Å; Y1131-L1135 PolarHBondContact O-N 3.02Å
1132	R	95.3	Very high	89.9	Confident	88 Å²	88	44.2 Å²	44.2	33%	0.332	23%	0.233	S	C	.	.	H	α-helix	trans	-62.9	-48.5	-179.8	-165.8	-168.5	-37	-158.1	0	112.1	K1049 Q1128 F1129 G1134 L1135 E1136	K1049-R1132 PolarHBondContact O-NH1 3.22Å; K1049-R1132 VanDerWaalsContact O-NH1 3.07Å; Q1128-R1132 PolarHBondContact O-N 2.77Å; F1129-R1132 PolarHBondContact O-N 3.3Å; R1132-G1134 VanDerWaalsContact C-N 3.32Å; R1132-G1134 PolarHBondContact O-N 3.08Å; R1132-L1135 PolarHBondContact O-N 3.01Å; R1132-E1136 WeakPolarHBondContact O-CG 3.34Å; R1132-E1136 PolarHBondContact O-N 3.31Å
1133	A	95.5	Very high	87.4	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-38.5	176.6	0	0	0	0	0	111.7	I1055 L1091 F1129 L1135 E1136 Y1137	I1055-A1133 HydrophobicContact CD1-CB 4.3Å; I1055-A1133 WeakPolarHBondContact CD1-O 3.48Å; I1055-A1133 HydrophobicContact CG1-CB 4.39Å; L1091-A1133 HydrophobicContact CD1-CB 3.75Å; L1091-A1133 HydrophobicContact CD2-CB 3.86Å; L1091-A1133 HydrophobicContact CG-CB 4.49Å; F1129-A1133 WeakPolarHBondContact O-CB 3.41Å; F1129-A1133 PolarHBondContact O-N 2.99Å; A1133-L1135 VanDerWaalsContact C-N 3.33Å; A1133-L1135 PolarHBondContact O-N 3.37Å; A1133-E1136 PolarHBondContact O-N 3.46Å; A1133-Y1137 WeakPolarHBondContact O-CB 3.31Å; A1133-Y1137 PolarHBondContact O-N 3.28Å
1134	G	93.7	Very high	84.6	Confident	1 Å²	1	54 Å²	54	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-60.3	-41.1	172.5	0	0	0	0	0	113.1	M1098 C1130 Y1131 R1132 L1138	M1098-G1134 VanDerWaalsContact CE-O 3.28Å; M1098-G1134 WeakPolarHBondContact CE-O 3.34Å; C1130-G1134 PolarHBondContact O-N 3.1Å; Y1131-G1134 PolarHBondContact O-N 3.42Å; R1132-G1134 VanDerWaalsContact C-N 3.32Å; R1132-G1134 PolarHBondContact O-N 3.08Å; G1134-L1138 PolarHBondContact O-N 3.43Å; G1134-L1138 VanDerWaalsContact O-N 3.08Å
1135	L	93.8	Very high	81.6	Confident	47 Å²	47	55.8 Å²	55.8	25%	0.246	29%	0.29	C	S	.	.	H	α-helix	trans	-68.5	-42.7	176.3	-178.9	65.7	0	0	0	112.5	L859 Y860 I863 Y1131 R1132 A1133 Y1137 L1138 G1139	L859-L1135 HydrophobicContact CD2-CB 4.35Å; Y860-L1135 HydrophobicContact CD2-CD1 4.22Å; Y860-L1135 HydrophobicContact CD2-CD2 3.97Å; I863-L1135 HydrophobicContact CD1-CB 3.86Å; I863-L1135 HydrophobicContact CD1-CD2 4.02Å; I863-L1135 HydrophobicContact CD1-CG 4.36Å; Y1131-L1135 PolarHBondContact O-N 3.02Å; R1132-L1135 PolarHBondContact O-N 3.01Å; A1133-L1135 VanDerWaalsContact C-N 3.33Å; A1133-L1135 PolarHBondContact O-N 3.37Å; L1135-Y1137 VanDerWaalsContact C-N 3.35Å; L1135-L1138 WeakPolarHBondContact O-CB 3.34Å; L1135-L1138 PolarHBondContact O-N 3.49Å; L1135-G1139 PolarHBondContact O-N 3.33Å
1136	E	93.6	Very high	78.5	Confident	61 Å²	61	60.2 Å²	60.2	29%	0.285	32%	0.321	S	S	.	.	H	α-helix	trans	-62.7	-41.7	176.4	-73.2	176.1	-149.8	0	0	111.4	S1050 G1051 E1052 I1055 R1132 A1133 L1138 G1139 S1140	S1050-E1136 PolarHBondContact OG-OE2 3.31Å; G1051-E1136 WeakPolarHBondContact CA-OE2 3.49Å; G1051-E1136 PolarHBondContact N-OE1 3.16Å; G1051-E1136 PolarHBondContact N-OE2 3.39Å; E1052-E1136 PolarHBondContact N-OE2 3.38Å; E1052-E1136 VanDerWaalsContact N-OE2 3.15Å; I1055-E1136 HydrophobicContact CD1-CB 4.24Å; R1132-E1136 WeakPolarHBondContact O-CG 3.34Å; R1132-E1136 PolarHBondContact O-N 3.31Å; A1133-E1136 PolarHBondContact O-N 3.46Å; E1136-L1138 VanDerWaalsContact C-N 3.34Å; E1136-L1138 PolarHBondContact O-N 3.48Å; E1136-G1139 PolarHBondContact O-N 3.39Å; E1136-G1139 VanDerWaalsContact O-N 3.15Å; E1136-S1140 PolarHBondContact O-N 3.14Å; E1136-S1140 VanDerWaalsContact O-N 3.13Å
1137	Y	91.5	Very high	77.6	Confident	42 Å²	42	62.3 Å²	62.3	17%	0.165	33%	0.332	C	S	.	.	H	α-helix	trans	-62.1	-40.8	174	-178.7	-119.1	0	0	0	112.3	I1055 L1095 M1098 A1133 L1135 G1139 S1140 F1141	I1055-Y1137 HydrophobicContact CG2-CD2 3.75Å; I1055-Y1137 HydrophobicContact CG2-CE2 4.38Å; L1095-Y1137 HydrophobicContact CB-CD1 4.05Å; L1095-Y1137 HydrophobicContact CB-CE1 3.79Å; L1095-Y1137 HydrophobicContact CD2-CD1 3.34Å; L1095-Y1137 HydrophobicContact CD2-CD2 4.45Å; L1095-Y1137 HydrophobicContact CD2-CE1 4.01Å; L1095-Y1137 HydrophobicContact CD2-CG 3.57Å; L1095-Y1137 HydrophobicContact CG-CD1 4.2Å; L1095-Y1137 HydrophobicContact CG-CE1 4.43Å; L1095-Y1137 HydrophobicContact CG-CG 4.49Å; L1095-Y1137 WeakPolarHBondContact O-CE1 3.47Å; M1098-Y1137 HydrophobicContact CE-CD1 4.41Å; M1098-Y1137 HydrophobicContact SD-CD1 3.84Å; M1098-Y1137 HydrophobicContact SD-CE1 4.4Å; A1133-Y1137 WeakPolarHBondContact O-CB 3.31Å; A1133-Y1137 PolarHBondContact O-N 3.28Å; L1135-Y1137 VanDerWaalsContact C-N 3.35Å; Y1137-G1139 VanDerWaalsContact C-N 3.3Å; Y1137-G1139 PolarHBondContact O-N 3.43Å; Y1137-S1140 WeakPolarHBondContact O-CB 3.39Å; Y1137-S1140 PolarHBondContact O-N 2.75Å; Y1137-S1140 VanDerWaalsContact O-N 3.09Å; Y1137-S1140 PolarHBondContact O-OG 3.45Å; Y1137-F1141 HydrophobicContact CD1-CD2 4.16Å; Y1137-F1141 AromaticContact CD1-CE2 3.92Å; Y1137-F1141 HydrophobicContact CD1-CE2 3.92Å; Y1137-F1141 AromaticContact CE1-CD2 3.96Å; Y1137-F1141 HydrophobicContact CE1-CD2 3.96Å; Y1137-F1141 AromaticContact CE1-CE2 3.29Å; Y1137-F1141 HydrophobicContact CE1-CE2 3.29Å; Y1137-F1141 HydrophobicContact CE1-CZ 4.26Å; Y1137-F1141 HydrophobicContact CE2-CE2 4.3Å; Y1137-F1141 AromaticContact CZ-CE2 3.48Å; Y1137-F1141 VanDerWaalsContact CZ-CE2 3.48Å; Y1137-F1141 PolarHBondContact O-N 3.17Å
1138	L	88.3	Confident	76.5	Confident	42 Å²	42	65.6 Å²	65.6	22%	0.22	35%	0.35	C	S	.	.	H	α-helix	trans	-61.6	-38.9	173.5	-177.1	63.9	0	0	0	111.9	A856 L859 M1098 G1134 L1135 E1136 S1140 F1141	A856-L1138 HydrophobicContact CB-CD1 4.02Å; A856-L1138 HydrophobicContact CB-CD2 4.44Å; A856-L1138 WeakPolarHBondContact O-CD2 3.27Å; L859-L1138 HydrophobicContact CB-CD2 4.28Å; L859-L1138 HydrophobicContact CD2-CD2 4.43Å; M1098-L1138 HydrophobicContact SD-CB 4.09Å; M1098-L1138 HydrophobicContact SD-CD1 4.24Å; G1134-L1138 PolarHBondContact O-N 3.43Å; G1134-L1138 VanDerWaalsContact O-N 3.08Å; L1135-L1138 WeakPolarHBondContact O-CB 3.34Å; L1135-L1138 PolarHBondContact O-N 3.49Å; E1136-L1138 VanDerWaalsContact C-N 3.34Å; E1136-L1138 PolarHBondContact O-N 3.48Å; L1138-S1140 PolarHBondContact O-N 3.1Å; L1138-F1141 WeakPolarHBondContact O-CB 3.36Å; L1138-F1141 PolarHBondContact O-N 3.37Å; L1138-F1141 VanDerWaalsContact O-N 3.07Å
1139	G	83	Confident	75.4	Confident	52 Å²	52	65.9 Å²	65.9	54%	0.536	35%	0.354	S	S	.	.	H	α-helix	trans	-62.2	-28.3	174	0	0	0	0	0	113.5	L1135 E1136 Y1137	L1135-G1139 PolarHBondContact O-N 3.33Å; E1136-G1139 PolarHBondContact O-N 3.39Å; E1136-G1139 VanDerWaalsContact O-N 3.15Å; Y1137-G1139 VanDerWaalsContact C-N 3.3Å; Y1137-G1139 PolarHBondContact O-N 3.43Å
1140	S	79.3	Confident	74.1	Confident	48 Å²	48	69.8 Å²	69.8	34%	0.336	37%	0.374	S	S	.	.	H	α-helix	trans	-77.9	-19.6	174.1	76.4	0	0	0	0	113.8	E1136 Y1137 L1138 H1143	E1136-S1140 PolarHBondContact O-N 3.14Å; E1136-S1140 VanDerWaalsContact O-N 3.13Å; Y1137-S1140 WeakPolarHBondContact O-CB 3.39Å; Y1137-S1140 PolarHBondContact O-N 2.75Å; Y1137-S1140 VanDerWaalsContact O-N 3.09Å; Y1137-S1140 PolarHBondContact O-OG 3.45Å; L1138-S1140 PolarHBondContact O-N 3.1Å; S1140-H1143 PolarHBondContact O-N 2.94Å
1141	F	62.2	Low	72.6	Confident	51 Å²	51	74.1 Å²	74.1	22%	0.224	40%	0.398	C	S	.	.	H	α-helix	trans	-69.6	-32	-179.8	-107.4	-75.1	0	0	0	113.5	R1099 Y1137 L1138 H1143 Y1144 A1145	R1099-F1141 HydrophobicContact CB-CE2 4.39Å; R1099-F1141 HydrophobicContact CB-CZ 3.78Å; R1099-F1141 HydrophobicContact CG-CZ 3.85Å; Y1137-F1141 HydrophobicContact CD1-CD2 4.16Å; Y1137-F1141 AromaticContact CD1-CE2 3.92Å; Y1137-F1141 HydrophobicContact CD1-CE2 3.92Å; Y1137-F1141 AromaticContact CE1-CD2 3.96Å; Y1137-F1141 HydrophobicContact CE1-CD2 3.96Å; Y1137-F1141 AromaticContact CE1-CE2 3.29Å; Y1137-F1141 HydrophobicContact CE1-CE2 3.29Å; Y1137-F1141 HydrophobicContact CE1-CZ 4.26Å; Y1137-F1141 HydrophobicContact CE2-CE2 4.3Å; Y1137-F1141 AromaticContact CZ-CE2 3.48Å; Y1137-F1141 VanDerWaalsContact CZ-CE2 3.48Å; Y1137-F1141 PolarHBondContact O-N 3.17Å; L1138-F1141 WeakPolarHBondContact O-CB 3.36Å; L1138-F1141 PolarHBondContact O-N 3.37Å; L1138-F1141 VanDerWaalsContact O-N 3.07Å; F1141-H1143 PolarHBondContact O-N 3.36Å; F1141-H1143 VanDerWaalsContact O-N 3.1Å; F1141-Y1144 CarbonylContact O-C 3.59Å; F1141-Y1144 PolarHBondContact O-N 3.44Å; F1141-A1145 WeakPolarHBondContact O-CB 3.44Å; F1141-A1145 PolarHBondContact O-N 3.18Å
1142	D	49.7	Very low	71	Confident	135 Å²	135	78.7 Å²	78.7	72%	0.722	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-14.7	175.5	-77.5	-21.6	0	0	0	112.5
1143	H	40.4	Very low	69.3	Low	163 Å²	163	78.1 Å²	78.1	76%	0.755	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-15.9	170.3	-90.6	47.2	0	0	0	114.5	S1140 F1141	S1140-H1143 PolarHBondContact O-N 2.94Å; F1141-H1143 PolarHBondContact O-N 3.36Å; F1141-H1143 VanDerWaalsContact O-N 3.1Å
1144	Y	37.1	Very low	67.3	Low	194 Å²	194	84.1 Å²	84.1	76%	0.761	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	-8.1	-177.1	-87.9	-85.2	0	0	0	113.8	F1141	F1141-Y1144 CarbonylContact O-C 3.59Å; F1141-Y1144 PolarHBondContact O-N 3.44Å
1145	A	31.8	Very low	65.1	Low	83 Å²	83	91 Å²	91	69%	0.686	50%	0.5	S	S	*	.			trans	-92.8	3.1	177.2	0	0	0	0	0	114.2	F1141	F1141-A1145 WeakPolarHBondContact O-CB 3.44Å; F1141-A1145 PolarHBondContact O-N 3.18Å
1146	T	30.2	Very low	62.5	Low	174 Å²	174	95 Å²	95	100%	1.067	52%	0.523	S	S	*	.			trans	-97.8	0	158.4	51.6	0	0	0	0	109.7

Retrieved 1,146 of 1,146 residues in 233.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).