A0A087XEF7_POEFO Loading...

Microsomal triglyceride transfer protein

AlphaFold DB , UniProt , Accession A0A087XEF7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 921 aa.

						>A0A087XEF7_POEFO|A0A087XEF7
MLVLAVLLLCAATSATASTQGAAAAAAGPRLNNNQLYKFSYTTELLLDKAWGSKEGSAGYRISSDVNINLVWRDPSNKDDQLIQLSISNVRIEPVTERSEKNNILHGATTESILGKTKLAALTKPFLVHLKNGKIKAFYSYWSEPATIKNLKRGISSLLQFQIHTGKVVENDVSGRCTVQYQATQGQVTRTKILETCKTSETGFTTHSTVLGVNRKSSSVTVFKLEDGFIRSAEAEETHFLGVNAHRSTAAKILSRQSLVLLGKEAGPLEVAGKDIAGVVKSVDGKLAAVGVVPEKLKTQCKGCPSLFEHWQAVQKQLEPASLSKATAPRSFLGFIQSIRKASKDEILKVLKSASKTTLPQVVDAVTSSQTPASLDAMLEFLNFTDAKGSVLQERFLYACGFASHPNERMLQALLNIAKGKISSTEIKESVVIIMGALVHKLCLEGSCDIPTVVQVKKMILEGPESTQVESEVQMYLLALKNSLLPEAIPILTKFAESEVGSYSTIALTALERYDVSLITPEVKQTVNRIYHQNRRIYEKNVRAAAADVILSSNPSYIEVKNLLLSIGNLPHEMNKYMLSKIQDILRFQMPASKVIRRALEDMISHNYDRFAKVGSSSAFSGFMAQSPDVTSTYSLDILYSGSGILRRSNMNIYGASQGSMLHGLQVHTQVFLNFFYHYYFVEKNLSYANLLFLFVFQVAIEAQGLESLIAATPDEGEEDLESFAGMSALLFDVQLRPVTFFKGYSDLMSKMFSMTGEPMNVVKGLILLTDHSEVVQLQSGLKANAEFQGGLAIDISGGMEISLWYRESKTSVNNRGALVVTGNVTVDMDFLRAGVEVSFDTEASLDFITTVQFSEYPFLVCMQMDKATFPVSEYFSRYESLSSGKSIMSRKAKKQLVPGSEFPLHQENSNMCKRVFESSW
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.3	Very low	33.3	Very low	247 Å²	247	148.4 Å²	148.4	100%	1.217	86%	0.855	S	S	*	*				0	103.3	0	-57.8	176.9	-159.5	0	0	107.6
2	L	34.3	Very low	33.3	Very low	166 Å²	166	143.2 Å²	143.2	87%	0.869	84%	0.843	S	S	*	*			trans	-157.3	52.8	-171.8	-143.6	164.6	0	0	0	111.7
3	V	32.8	Very low	33	Very low	122 Å²	122	143.5 Å²	143.5	74%	0.739	85%	0.848	S	S	*	*	S	Bend	trans	-135.7	-26	-177.7	-176	0	0	0	0	112.9	A5	V3-A5 PolarHBondContact O-N 3.39Å; V3-A5 VanDerWaalsContact O-N 3.13Å
4	L	33.3	Very low	32.6	Very low	180 Å²	180	142.1 Å²	142.1	94%	0.942	85%	0.85	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	7.3	-172.8	-129.8	79.5	0	0	0	115.9
5	A	35.3	Very low	32.2	Very low	80 Å²	80	138.8 Å²	138.8	66%	0.661	84%	0.844	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-5.3	-174.2	0	0	0	0	0	114.7	V3	V3-A5 PolarHBondContact O-N 3.39Å; V3-A5 VanDerWaalsContact O-N 3.13Å
6	V	34.5	Very low	31.9	Very low	112 Å²	112	139.7 Å²	139.7	68%	0.679	85%	0.85	S	S	*	*	S	Bend	trans	-97.3	-15.8	-166	-175.5	0	0	0	0	113.4	L8	V6-L8 PolarHBondContact O-N 3.46Å
7	L	31.1	Very low	31.5	Very low	173 Å²	173	136.7 Å²	136.7	91%	0.906	84%	0.843	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	10.7	-169.7	-99.3	164.4	0	0	0	116.2
8	L	31.9	Very low	31.2	Very low	170 Å²	170	135.1 Å²	135.1	89%	0.89	84%	0.838	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.6	11.9	-178.7	-94	164.1	0	0	0	114.5	V6	V6-L8 PolarHBondContact O-N 3.46Å
9	L	29.9	Very low	30.9	Very low	150 Å²	150	135.5 Å²	135.5	79%	0.785	84%	0.84	S	S	*	*	S	Bend	trans	-113.4	12.3	-172.9	-92.6	163	0	0	0	115.4
10	C	28.6	Very low	30.8	Very low	131 Å²	131	137.6 Å²	137.6	89%	0.885	84%	0.839	S	S	*	*			trans	-123.9	48.8	-177	-64.1	0	0	0	0	113.8
11	A	29.8	Very low	30.4	Very low	101 Å²	101	135 Å²	135	84%	0.835	84%	0.84	S	S	*	*			trans	-138.3	39.3	176.5	0	0	0	0	0	113.2
12	A	32.6	Very low	29.5	Very low	86 Å²	86	127.4 Å²	127.4	71%	0.711	82%	0.817	S	S	*	*			trans	-151.4	78	-176	0	0	0	0	0	114.5
13	T	29.7	Very low	29.2	Very low	147 Å²	147	124.3 Å²	124.3	90%	0.902	82%	0.815	S	S	*	*			trans	-170.1	61.3	162	32.4	0	0	0	0	114.2
14	S	27.6	Very low	29.1	Very low	125 Å²	125	122.8 Å²	122.8	87%	0.874	82%	0.815	S	S	*	*	S	Bend	trans	-159.5	43.4	170.5	65.2	0	0	0	0	116.9
15	A	25.9	Very low	29.4	Very low	92 Å²	92	117 Å²	117	76%	0.76	79%	0.794	S	S	*	*			trans	-157.7	101.3	163.4	0	0	0	0	0	112	A17	A15-A17 VanDerWaalsContact C-N 3.27Å; A15-A17 PolarHBondContact O-N 2.82Å
16	T	28	Very low	29.9	Very low	153 Å²	153	114.9 Å²	114.9	94%	0.939	78%	0.776	S	S	*	*			trans	-76.6	78.2	168.6	48.4	0	0	0	0	110	S18	T16-S18 PolarHBondContact O-N 2.84Å
17	A	25.3	Very low	31	Very low	89 Å²	89	110.7 Å²	110.7	74%	0.736	75%	0.753	S	S	*	*			trans	-64.9	125.1	172.4	0	0	0	0	0	109.9	A15 T19	A15-A17 VanDerWaalsContact C-N 3.27Å; A15-A17 PolarHBondContact O-N 2.82Å; A17-T19 PolarHBondContact O-N 2.97Å
18	S	25.5	Very low	32.6	Very low	107 Å²	107	102.7 Å²	102.7	75%	0.748	71%	0.713	S	S	*	*			trans	-64.3	131.5	-177.9	45.5	0	0	0	0	111.6	T16 Q20	T16-S18 PolarHBondContact O-N 2.84Å; S18-Q20 PolarHBondContact O-N 3.42Å
19	T	26.7	Very low	34.4	Very low	144 Å²	144	95 Å²	95	88%	0.883	67%	0.673	S	S	*	*	S	Bend	trans	-76.4	64.4	176.2	52.3	0	0	0	0	111.6	A17	A17-T19 PolarHBondContact O-N 2.97Å
20	Q	27.1	Very low	36.7	Very low	176 Å²	176	93.8 Å²	93.8	82%	0.822	66%	0.658	S	S	*	*			trans	-122.4	41	165.8	-74.6	-166.8	-17.1	0	0	111.3	S18 A22	S18-Q20 PolarHBondContact O-N 3.42Å; Q20-A22 PolarHBondContact O-N 2.81Å
21	G	24.2	Very low	39.2	Very low	84 Å²	84	87.9 Å²	87.9	87%	0.866	62%	0.618	S	S	*	*			trans	-69.8	55.9	161.5	0	0	0	0	0	111.8	A23	G21-A23 PolarHBondContact O-N 3.1Å
22	A	24.9	Very low	41.8	Very low	87 Å²	87	86.8 Å²	86.8	72%	0.719	60%	0.598	S	S	*	*			trans	-58.4	133.6	169.7	0	0	0	0	0	108.5	Q20 A24	Q20-A22 PolarHBondContact O-N 2.81Å; A22-A24 PolarHBondContact O-N 2.69Å
23	A	28.5	Very low	44.3	Very low	101 Å²	101	86.8 Å²	86.8	84%	0.835	59%	0.586	S	S	*	*			trans	-60	106.8	178.9	0	0	0	0	0	109.2	G21 A25	G21-A23 PolarHBondContact O-N 3.1Å; A23-A25 PolarHBondContact O-N 2.67Å
24	A	31	Very low	46.9	Very low	90 Å²	90	83.3 Å²	83.3	74%	0.744	56%	0.562	S	S	*	*			trans	-61.2	101	178.6	0	0	0	0	0	108.4	A22 A26	A22-A24 PolarHBondContact O-N 2.69Å; A24-A26 PolarHBondContact O-N 2.81Å
25	A	38.8	Very low	49.9	Very low	60 Å²	60	80.4 Å²	80.4	50%	0.496	53%	0.534	S	S	.	.			trans	-57.6	127.6	-175.2	0	0	0	0	0	109	A23 A27	A23-A25 PolarHBondContact O-N 2.67Å; A25-A27 PolarHBondContact O-N 3.08Å
26	A	45.9	Very low	53	Low	34 Å²	34	77.5 Å²	77.5	28%	0.281	51%	0.506	S	S	.	.			trans	-57.9	103.2	-172.7	0	0	0	0	0	110.7	A24 G28 N132	A24-A26 PolarHBondContact O-N 2.81Å; A26-G28 PolarHBondContact O-N 3.03Å; A26-N132 CarbonylContact O-C 3.58Å
27	A	58.4	Low	56	Low	25 Å²	25	70.4 Å²	70.4	21%	0.207	46%	0.462	C	S	.	.			trans	-70.6	125.3	-177.7	0	0	0	0	0	109.5	A25	A25-A27 PolarHBondContact O-N 3.08Å
28	G	64.8	Low	59.3	Low	5 Å²	5	69.2 Å²	69.2	5%	0.052	44%	0.44	C	S	.	.			trans	-93.5	-176.2	172.8	0	0	0	0	0	112.4	A26 R30	A26-G28 PolarHBondContact O-N 3.03Å; G28-R30 PolarHBondContact O-N 2.88Å
29	P	68.7	Low	62.6	Low	9 Å²	9	64.2 Å²	64.2	6%	0.058	41%	0.405	C	S	.	.			trans	-57.5	130	164.5	24.8	-32.1	0	0	0	110	L159 F161 F229	P29-L159 WeakPolarHBondContact CG-O 3.4Å; P29-F161 HydrophobicContact CB-CE1 3.58Å; P29-F161 HydrophobicContact CB-CZ 3.86Å; P29-F161 VanDerWaalsContact CD-CE1 3.48Å; P29-F161 HydrophobicContact CG-CD1 4.02Å; P29-F161 HydrophobicContact CG-CE1 3.46Å; P29-F161 VanDerWaalsContact CG-CE1 3.46Å; P29-F161 HydrophobicContact CG-CZ 4.09Å; P29-F229 HydrophobicContact CB-CD2 4.43Å; P29-F229 HydrophobicContact CB-CE2 4.44Å
30	R	78.3	Confident	66	Low	124 Å²	124	59.1 Å²	59.1	47%	0.468	38%	0.375	S	S	.	.			trans	-111.2	127	169.9	-60.6	-179	174.4	160.5	-2.6	108	G28 D79	G28-R30 PolarHBondContact O-N 2.88Å; R30-D79 IonicContact CZ-OD1 3.22Å; R30-D79 VanDerWaalsContact CZ-OD1 3.3Å; R30-D79 IonicContact CZ-OD2 2.72Å; R30-D79 IonicContact NE-OD1 3.95Å; R30-D79 PolarHBondContact NE-OD1 3.12Å; R30-D79 IonicContact NE-OD2 3.57Å; R30-D79 VanDerWaalsContact NH2-CG 3.25Å; R30-D79 IonicContact NH2-OD1 3.37Å; R30-D79 PolarHBondContact NH2-OD1 2.97Å; R30-D79 IonicContact NH2-OD2 3.65Å; R30-D79 PolarHBondContact NH2-OD2 3Å
31	L	81.7	Confident	69.3	Low	7 Å²	7	51 Å²	51	4%	0.037	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-83.9	143	172.9	-77.2	73.6	0	0	0	109.8	Y37 I68 L70 R73 I83 F229	L31-Y37 HydrophobicContact CB-CE2 4.05Å; L31-Y37 HydrophobicContact CD2-CD2 4.08Å; L31-Y37 HydrophobicContact CD2-CE2 4.12Å; L31-Y37 HydrophobicContact CG-CD2 4.35Å; L31-Y37 HydrophobicContact CG-CE2 3.98Å; L31-I68 HydrophobicContact CD2-CG2 3.85Å; L31-L70 HydrophobicContact CB-CB 4.34Å; L31-R73 PolarHBondContact O-NH2 3.45Å; L31-I83 HydrophobicContact CD1-CG2 3.92Å; L31-I83 HydrophobicContact CD2-CG2 3.88Å; L31-I83 HydrophobicContact CG-CG2 4.44Å; L31-F229 HydrophobicContact CD1-CE2 3.97Å; L31-F229 HydrophobicContact CG-CE2 4Å; L31-F229 HydrophobicContact CG-CZ 4.34Å
32	N	85.1	Confident	72.7	Confident	78 Å²	78	48.8 Å²	48.8	42%	0.417	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-69.9	143.4	171.9	-67.6	-30	0	0	0	110.3	Q35 Y37	N32-Q35 HydrophobicContact CB-CB 4.12Å; N32-Q35 HydrophobicContact CB-CG 3.94Å; N32-Q35 PolarHBondContact ND2-OE1 2.89Å; N32-Y37 WeakPolarHBondContact CB-OH 3.35Å; N32-Y37 PolarHBondContact N-OH 3.45Å; N32-Y37 PolarHBondContact ND2-OH 3.29Å
33	N	84.4	Confident	76	Confident	85 Å²	85	44.8 Å²	44.8	46%	0.455	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	143.9	173.6	-53.3	49	0	0	0	109.6	Q35 R73 E270	N33-Q35 PolarHBondContact O-N 2.88Å; N33-Q35 VanDerWaalsContact O-N 3.11Å; N33-R73 PolarHBondContact OD1-NH1 2.86Å; N33-E270 WeakPolarHBondContact CB-OE1 3.29Å; N33-E270 VanDerWaalsContact CG-OE1 3.26Å; N33-E270 PolarHBondContact ND2-OE1 2.92Å
34	N	85.2	Confident	79	Confident	74 Å²	74	41.3 Å²	41.3	40%	0.396	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	27.9	178	-51.4	-14.6	0	0	0	114.8	G267	N34-G267 PolarHBondContact O-N 3.5Å
35	Q	88.6	Confident	82	Confident	64 Å²	64	37 Å²	37	30%	0.299	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.1	173.5	-70.1	-169.2	-5.7	0	0	112	N32 N33 Y37 E265	N32-Q35 HydrophobicContact CB-CB 4.12Å; N32-Q35 HydrophobicContact CB-CG 3.94Å; N32-Q35 PolarHBondContact ND2-OE1 2.89Å; N33-Q35 PolarHBondContact O-N 2.88Å; N33-Q35 VanDerWaalsContact O-N 3.11Å; Q35-Y37 HydrophobicContact CB-CD2 4.47Å; Q35-Y37 HydrophobicContact CB-CE2 3.87Å; Q35-E265 WeakPolarHBondContact CA-O 2.88Å
36	L	91.4	Very high	84.5	Confident	32 Å²	32	35.4 Å²	35.4	17%	0.168	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122	170.2	-174.5	68.6	0	0	0	108.6	N67 N69 K264 E265	L36-N67 HydrophobicContact CD1-CB 3.98Å; L36-N67 HydrophobicContact CG-CB 4.44Å; L36-N69 HydrophobicContact CD1-CB 3.96Å; L36-K264 CarbonylContact O-C 3.58Å; L36-K264 WeakPolarHBondContact O-CA 3.15Å; L36-E265 HydrophobicContact CB-CB 4.37Å; L36-E265 PolarHBondContact N-O 3.01Å; L36-E265 PolarHBondContact O-N 2.84Å
37	Y	91.8	Very high	86.6	Confident	3 Å²	3	33.9 Å²	33.9	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.8	178.6	-63.6	-103.5	0	0	0	109	L31 N32 Q35 N67 I68 F229 L261 K264	L31-Y37 HydrophobicContact CB-CE2 4.05Å; L31-Y37 HydrophobicContact CD2-CD2 4.08Å; L31-Y37 HydrophobicContact CD2-CE2 4.12Å; L31-Y37 HydrophobicContact CG-CD2 4.35Å; L31-Y37 HydrophobicContact CG-CE2 3.98Å; N32-Y37 WeakPolarHBondContact CB-OH 3.35Å; N32-Y37 PolarHBondContact N-OH 3.45Å; N32-Y37 PolarHBondContact ND2-OH 3.29Å; Q35-Y37 HydrophobicContact CB-CD2 4.47Å; Q35-Y37 HydrophobicContact CB-CE2 3.87Å; Y37-N67 WeakPolarHBondContact O-CA 3.4Å; Y37-I68 PolarHBondContact N-O 3.45Å; Y37-I68 PolarHBondContact O-N 3.25Å; Y37-F229 HydrophobicContact CD1-CD1 4.11Å; Y37-F229 AromaticContact CD1-CE1 3.33Å; Y37-F229 HydrophobicContact CD1-CE1 3.33Å; Y37-F229 AromaticContact CD1-CZ 3.66Å; Y37-F229 HydrophobicContact CD1-CZ 3.66Å; Y37-F229 AromaticContact CE1-CD1 3.85Å; Y37-F229 HydrophobicContact CE1-CD1 3.85Å; Y37-F229 AromaticContact CE1-CE1 3.43Å; Y37-F229 HydrophobicContact CE1-CE1 3.43Å; Y37-F229 VanDerWaalsContact CE1-CE1 3.43Å; Y37-F229 HydrophobicContact CE1-CE2 4.24Å; Y37-F229 HydrophobicContact CE1-CG 4.4Å; Y37-F229 AromaticContact CE1-CZ 3.65Å; Y37-F229 HydrophobicContact CE1-CZ 3.65Å; Y37-F229 HydrophobicContact CG-CE1 4.17Å; Y37-F229 HydrophobicContact CG-CZ 4.13Å; Y37-L261 HydrophobicContact CD1-CD1 4.07Å; Y37-K264 HydrophobicContact CD1-CG 4.09Å; Y37-K264 HydrophobicContact CE1-CD 4.23Å; Y37-K264 HydrophobicContact CE1-CG 4.23Å
38	K	94.8	Very high	87.9	Confident	64 Å²	64	33.5 Å²	33.5	28%	0.278	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	118.7	177.1	-65.7	-166.4	169.4	166.7	0	109.9	N67 L262 G263 E265	K38-N67 WeakPolarHBondContact CG-OD1 3.17Å; K38-L262 WeakPolarHBondContact O-CB 3.47Å; K38-L262 PolarHBondContact O-N 2.86Å; K38-G263 PolarHBondContact N-O 3.04Å; K38-G263 PolarHBondContact O-N 3.5Å; K38-E265 VanDerWaalsContact CE-CD 3.42Å; K38-E265 VanDerWaalsContact CE-OE1 3.31Å; K38-E265 WeakPolarHBondContact CE-OE1 3.46Å; K38-E265 WeakPolarHBondContact CE-OE2 3.32Å; K38-E265 IonicContact NZ-OE1 3.52Å; K38-E265 PolarHBondContact NZ-OE1 3.12Å; K38-E265 IonicContact NZ-OE2 3.52Å; K38-E265 PolarHBondContact NZ-OE2 2.93Å
39	F	95	Very high	88.7	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.009	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	145.4	175.1	-67.4	-96.3	0	0	0	111	D65 V66 I68 F229 I230 L259 V260 L261	F39-D65 WeakPolarHBondContact O-CA 3.42Å; F39-V66 HydrophobicContact CB-CB 4.49Å; F39-V66 PolarHBondContact N-O 2.71Å; F39-V66 PolarHBondContact O-N 3.46Å; F39-I68 HydrophobicContact CD2-CD1 3.75Å; F39-I68 HydrophobicContact CD2-CG1 3.98Å; F39-I68 HydrophobicContact CE2-CB 4.47Å; F39-I68 HydrophobicContact CE2-CD1 3.65Å; F39-I68 HydrophobicContact CE2-CG1 4.1Å; F39-F229 HydrophobicContact CE2-CE1 4.41Å; F39-F229 AromaticContact CZ-CE1 3.72Å; F39-F229 HydrophobicContact CZ-CE1 3.72Å; F39-F229 HydrophobicContact CZ-CZ 4.1Å; F39-I230 HydrophobicContact CE1-CG2 4.36Å; F39-L259 HydrophobicContact CB-CD1 3.62Å; F39-L259 HydrophobicContact CB-CG 4.24Å; F39-L259 HydrophobicContact CD1-CD1 4.08Å; F39-L259 HydrophobicContact CD1-CD2 4.26Å; F39-L259 HydrophobicContact CD1-CG 3.73Å; F39-L259 HydrophobicContact CE1-CD2 4.43Å; F39-L259 HydrophobicContact CE1-CG 4.32Å; F39-L259 HydrophobicContact CG-CD1 4Å; F39-L259 HydrophobicContact CG-CG 4.16Å; F39-V260 CarbonylContact C-O 3.57Å; F39-V260 WeakPolarHBondContact CA-O 3.45Å; F39-L261 HydrophobicContact CD1-CB 4.04Å; F39-L261 HydrophobicContact CD1-CD1 4.25Å; F39-L261 HydrophobicContact CD2-CD1 4.29Å; F39-L261 HydrophobicContact CE1-CB 3.85Å; F39-L261 HydrophobicContact CE1-CD1 3.96Å; F39-L261 HydrophobicContact CE1-CG 4.49Å; F39-L261 HydrophobicContact CE2-CD1 4.01Å; F39-L261 HydrophobicContact CG-CD1 4.42Å; F39-L261 HydrophobicContact CZ-CD1 3.86Å
40	S	96.6	Very high	89	Confident	38 Å²	38	35.7 Å²	35.7	27%	0.266	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	133.1	156.3	-164.9	0	0	0	0	108.5	L259 V260	S40-L259 WeakPolarHBondContact O-CA 3.45Å; S40-V260 PolarHBondContact N-O 2.93Å; S40-V260 PolarHBondContact O-N 2.94Å
41	Y	96.5	Very high	88.6	Confident	6 Å²	6	37.9 Å²	37.9	2%	0.024	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.6	172.7	177	-109.2	0	0	0	110.2	T43 S63 S64 V66 I155 L158 Q257 S258 L259	Y41-T43 HydrophobicContact CE1-CG2 3.88Å; Y41-T43 WeakPolarHBondContact OH-CB 3.36Å; Y41-S63 CarbonylContact O-C 3.54Å; Y41-S63 WeakPolarHBondContact O-CA 3.28Å; Y41-S64 PolarHBondContact N-O 3.49Å; Y41-S64 PolarHBondContact O-N 3.34Å; Y41-S64 VanDerWaalsContact O-O 3.11Å; Y41-V66 HydrophobicContact CG-CG2 4.44Å; Y41-I155 HydrophobicContact CD1-CD1 3.9Å; Y41-I155 HydrophobicContact CD1-CG1 3.88Å; Y41-I155 HydrophobicContact CD2-CG1 4.32Å; Y41-I155 HydrophobicContact CE1-CD1 3.79Å; Y41-I155 HydrophobicContact CE1-CG1 3.48Å; Y41-I155 VanDerWaalsContact CE1-CG1 3.48Å; Y41-I155 HydrophobicContact CE2-CG1 3.95Å; Y41-I155 HydrophobicContact CG-CG1 4.27Å; Y41-L158 HydrophobicContact CD2-CD1 4.33Å; Y41-L158 HydrophobicContact CE2-CD1 3.77Å; Y41-Q257 HydrophobicContact CE2-CB 4.16Å; Y41-Q257 PolarHBondContact OH-NE2 3.05Å; Y41-S258 CarbonylContact C-O 3.6Å; Y41-S258 WeakPolarHBondContact CA-O 3.37Å; Y41-S258 WeakPolarHBondContact CD2-O 3.26Å; Y41-L259 HydrophobicContact CD2-CB 4.32Å; Y41-L259 HydrophobicContact CD2-CD1 4.03Å; Y41-L259 HydrophobicContact CG-CD1 4.43Å
42	T	95.9	Very high	87.7	Confident	37 Å²	37	39.6 Å²	39.6	23%	0.227	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145.7	165.3	68.3	0	0	0	0	110.3	I62 Q257 S258	T42-I62 CarbonylContact C-O 3.58Å; T42-I62 WeakPolarHBondContact CA-O 3.5Å; T42-Q257 CarbonylContact O-C 3.53Å; T42-Q257 WeakPolarHBondContact O-CA 3.38Å; T42-S258 PolarHBondContact N-O 3.05Å; T42-S258 PolarHBondContact O-N 3.41Å; T42-S258 WeakPolarHBondContact OG1-CB 3.16Å
43	T	94.4	Very high	86.6	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.018	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	133.7	164.5	-176.1	0	0	0	0	109.4	Y41 R61 I62 R256 S780	Y41-T43 HydrophobicContact CE1-CG2 3.88Å; Y41-T43 WeakPolarHBondContact OH-CB 3.36Å; T43-R61 CarbonylContact O-C 3.52Å; T43-R61 WeakPolarHBondContact O-CA 3.24Å; T43-I62 HydrophobicContact CG2-CB 3.87Å; T43-I62 HydrophobicContact CG2-CD1 4.48Å; T43-I62 HydrophobicContact CG2-CG1 4.47Å; T43-I62 PolarHBondContact N-O 3.05Å; T43-I62 PolarHBondContact O-N 3.32Å; T43-R256 CarbonylContact C-O 3.52Å; T43-R256 VanDerWaalsContact CA-O 3.25Å; T43-R256 WeakPolarHBondContact CA-O 3.34Å; T43-R256 PolarHBondContact OG1-O 3.04Å; T43-S780 WeakPolarHBondContact OG1-CB 3.35Å
44	E	92.8	Very high	85.2	Confident	28 Å²	28	44.1 Å²	44.1	13%	0.131	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	146.4	179.9	-53.4	-175.5	149.8	0	0	109.7	R61 V95 S255 R256	E44-R61 HydrophobicContact CG-CB 4.33Å; E44-R61 HydrophobicContact CG-CG 4.15Å; E44-R61 IonicContact OE1-CZ 2.82Å; E44-R61 IonicContact OE1-NE 3.5Å; E44-R61 PolarHBondContact OE1-NE 2.74Å; E44-R61 IonicContact OE1-NH2 3.65Å; E44-R61 PolarHBondContact OE1-NH2 2.75Å; E44-V95 HydrophobicContact CB-CG2 4.49Å; E44-S255 VanDerWaalsContact O-CA 3.28Å; E44-S255 WeakPolarHBondContact O-CA 3.42Å; E44-S255 PolarHBondContact O-OG 3.12Å; E44-S255 VanDerWaalsContact O-OG 3.07Å; E44-R256 HydrophobicContact CB-CB 4.26Å; E44-R256 PolarHBondContact N-O 2.87Å; E44-R256 PolarHBondContact O-N 3.43Å
45	L	92.4	Very high	83.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.3	166.6	179.1	76.1	0	0	0	109.3	L47 G59 Y60 V95 I253 L778 L782 V827 A834	L45-L47 HydrophobicContact CD1-CD2 4.2Å; L45-L47 HydrophobicContact CD2-CD1 4.43Å; L45-L47 HydrophobicContact CD2-CG 4.31Å; L45-L47 HydrophobicContact CG-CD2 4.43Å; L45-L47 HydrophobicContact CG-CG 4.35Å; L45-G59 CarbonylContact O-C 3.57Å; L45-G59 WeakPolarHBondContact O-CA 3.36Å; L45-Y60 HydrophobicContact CB-CE2 4.23Å; L45-Y60 HydrophobicContact CD2-CE1 3.81Å; L45-Y60 HydrophobicContact CD2-CE2 4.32Å; L45-Y60 PolarHBondContact N-O 3.11Å; L45-Y60 PolarHBondContact O-N 2.92Å; L45-V95 WeakPolarHBondContact O-CG2 3.44Å; L45-I253 HydrophobicContact CD1-CG2 4.18Å; L45-L778 HydrophobicContact CD1-CD1 3.98Å; L45-L782 HydrophobicContact CB-CD1 4.09Å; L45-L782 HydrophobicContact CD1-CD1 4.37Å; L45-V827 HydrophobicContact CD1-CG2 3.91Å; L45-V827 HydrophobicContact CD2-CB 3.52Å; L45-V827 HydrophobicContact CD2-CG1 3.79Å; L45-V827 HydrophobicContact CD2-CG2 3.59Å; L45-V827 HydrophobicContact CG-CG2 4.36Å; L45-A834 HydrophobicContact CD2-CB 4.37Å
46	L	91.3	Very high	82.7	Confident	25 Å²	25	42.8 Å²	42.8	13%	0.131	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	122.2	175.6	-71.1	161.8	0	0	0	109.1	V95 L254	L46-V95 HydrophobicContact CD1-CG1 4.29Å; L46-V95 HydrophobicContact CD2-CB 3.82Å; L46-V95 HydrophobicContact CD2-CG1 3.74Å; L46-V95 HydrophobicContact CD2-CG2 4.26Å; L46-V95 HydrophobicContact CG-CG1 4.14Å; L46-L254 HydrophobicContact CB-CB 4.09Å; L46-L254 HydrophobicContact CB-CD2 4.28Å; L46-L254 HydrophobicContact CB-CG 4.28Å; L46-L254 HydrophobicContact CD1-CD2 3.66Å; L46-L254 HydrophobicContact CD1-CG 4.2Å; L46-L254 PolarHBondContact N-O 3.05Å; L46-L254 PolarHBondContact O-N 3.36Å
47	L	89.9	Confident	82.2	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.2	175.3	-56.7	-179.9	0	0	0	109.3	L45 S57 A58 K252 I253 V825 V827 A834 V836	L45-L47 HydrophobicContact CD1-CD2 4.2Å; L45-L47 HydrophobicContact CD2-CD1 4.43Å; L45-L47 HydrophobicContact CD2-CG 4.31Å; L45-L47 HydrophobicContact CG-CD2 4.43Å; L45-L47 HydrophobicContact CG-CG 4.35Å; L47-S57 WeakPolarHBondContact O-CA 3.34Å; L47-S57 VanDerWaalsContact O-CB 3.31Å; L47-S57 WeakPolarHBondContact O-CB 3.21Å; L47-A58 PolarHBondContact N-O 3.36Å; L47-A58 PolarHBondContact O-N 3.12Å; L47-K252 WeakPolarHBondContact CA-O 3.38Å; L47-I253 HydrophobicContact CD2-CB 4.25Å; L47-I253 HydrophobicContact CD2-CG1 3.98Å; L47-I253 HydrophobicContact CD2-CG2 4.02Å; L47-V825 HydrophobicContact CD2-CG1 4.18Å; L47-V827 HydrophobicContact CD1-CG2 4.2Å; L47-V827 HydrophobicContact CD2-CG2 4.12Å; L47-A834 HydrophobicContact CD1-CB 4.02Å; L47-V836 HydrophobicContact CB-CB 4.42Å; L47-V836 HydrophobicContact CB-CG2 3.67Å
48	D	86	Confident	81.8	Confident	17 Å²	17	42.2 Å²	42.2	9%	0.091	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	173.1	-176.5	-150	-19.2	0	0	0	112.2	S53 S57 K252	D48-S53 WeakPolarHBondContact OD1-CB 3.29Å; D48-S53 PolarHBondContact OD1-N 2.99Å; D48-S53 PolarHBondContact OD1-OG 2.63Å; D48-S53 PolarHBondContact OD2-N 3.06Å; D48-S53 PolarHBondContact OD2-OG 2.85Å; D48-S57 PolarHBondContact OD2-OG 3.41Å; D48-K252 PolarHBondContact N-O 3.36Å; D48-K252 VanDerWaalsContact N-O 3.1Å; D48-K252 PolarHBondContact O-N 2.71Å
49	K	82.8	Confident	81.4	Confident	48 Å²	48	39.3 Å²	39.3	21%	0.209	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	148.3	165.6	-175	162.4	179.8	160.3	0	109.5	W51 G52 S248 E874 F876	K49-W51 VanDerWaalsContact C-N 3.28Å; K49-W51 PolarHBondContact O-N 3.2Å; K49-G52 WeakPolarHBondContact O-CA 3.2Å; K49-G52 PolarHBondContact O-N 2.78Å; K49-S248 WeakPolarHBondContact CE-O 3.28Å; K49-S248 PolarHBondContact NZ-O 2.83Å; K49-S248 PolarHBondContact NZ-OG 2.82Å; K49-E874 IonicContact NZ-OE1 3.64Å; K49-F876 HydrophobicContact CB-CD2 4.27Å; K49-F876 HydrophobicContact CB-CE2 3.87Å
50	A	73.3	Confident	81.1	Confident	12 Å²	12	39.4 Å²	39.4	10%	0.099	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.8	-42.9	-178	0	0	0	0	0	116.7	F240 A250	A50-F240 HydrophobicContact CB-CD2 4.11Å; A50-F240 HydrophobicContact CB-CE2 3.37Å; A50-F240 HydrophobicContact CB-CZ 3.78Å; A50-A250 HydrophobicContact CB-CB 3.48Å; A50-A250 VanDerWaalsContact CB-CB 3.48Å; A50-A250 WeakPolarHBondContact CB-O 3.46Å; A50-A250 PolarHBondContact N-O 2.9Å
51	W	70.1	Confident	80.9	Confident	171 Å²	171	40.8 Å²	40.8	65%	0.648	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	14.7	-180	-64.1	-90.9	0	0	0	114	K49 R247 A250	K49-W51 VanDerWaalsContact C-N 3.28Å; K49-W51 PolarHBondContact O-N 3.2Å; W51-R247 HydrophobicContact CH2-CB 3.94Å; W51-R247 WeakPolarHBondContact CH2-O 3.5Å; W51-R247 WeakPolarHBondContact CZ3-O 3.44Å; W51-A250 HydrophobicContact CZ3-CB 4.4Å
52	G	63.3	Low	80.7	Confident	43 Å²	43	41 Å²	41	44%	0.443	21%	0.209	S	C	.	.			trans	76	162.2	-171.8	0	0	0	0	0	113.3	K49	K49-G52 WeakPolarHBondContact O-CA 3.2Å; K49-G52 PolarHBondContact O-N 2.78Å
53	S	61.9	Low	80.6	Confident	37 Å²	37	40.1 Å²	40.1	26%	0.259	20%	0.204	S	C	.	.			trans	-117.9	145.9	171.9	62.8	0	0	0	0	111.8	D48 E55 G56	D48-S53 WeakPolarHBondContact OD1-CB 3.29Å; D48-S53 PolarHBondContact OD1-N 2.99Å; D48-S53 PolarHBondContact OD1-OG 2.63Å; D48-S53 PolarHBondContact OD2-N 3.06Å; D48-S53 PolarHBondContact OD2-OG 2.85Å; S53-E55 PolarHBondContact O-N 3.35Å; S53-G56 PolarHBondContact O-N 2.84Å; S53-G56 PolarHBondContact OG-O 2.82Å
54	K	54.5	Low	80.7	Confident	220 Å²	220	40.3 Å²	40.3	96%	0.957	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-1.2	176.1	-68.4	-167.2	176.7	-171.9	0	114.1
55	E	56.1	Low	80.9	Confident	87 Å²	87	41.2 Å²	41.2	41%	0.407	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	4.1	-171.2	-64.8	168.9	-148.5	0	0	112.8	S53 R878 K892	S53-E55 PolarHBondContact O-N 3.35Å; E55-R878 PolarHBondContact O-NH1 2.69Å; E55-R878 PolarHBondContact O-NH2 2.84Å; E55-R878 IonicContact OE2-NH2 2.81Å; E55-K892 WeakPolarHBondContact OE1-CD 3.47Å; E55-K892 IonicContact OE1-NZ 2.59Å; E55-K892 PolarHBondContact OE1-NZ 3.25Å
56	G	66.6	Low	81.1	Confident	23 Å²	23	41.2 Å²	41.2	24%	0.237	21%	0.211	C	C	.	.			trans	86.4	152.9	177.7	0	0	0	0	0	115	S53 R878	S53-G56 PolarHBondContact O-N 2.84Å; S53-G56 PolarHBondContact OG-O 2.82Å; G56-R878 PolarHBondContact O-NH1 2.79Å
57	S	79.9	Confident	81.2	Confident	23 Å²	23	41.4 Å²	41.4	16%	0.161	21%	0.212	C	C	.	.			trans	-73.5	162.2	179.6	-42.2	0	0	0	0	112.7	L47 D48 R98	L47-S57 WeakPolarHBondContact O-CA 3.34Å; L47-S57 VanDerWaalsContact O-CB 3.31Å; L47-S57 WeakPolarHBondContact O-CB 3.21Å; D48-S57 PolarHBondContact OD2-OG 3.41Å; S57-R98 PolarHBondContact O-NH2 2.95Å
58	A	84.2	Confident	81.4	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.008	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-90.8	151.1	166.7	0	0	0	0	0	111.2	L47 V836 R878 E880	L47-A58 PolarHBondContact N-O 3.36Å; L47-A58 PolarHBondContact O-N 3.12Å; A58-V836 HydrophobicContact CB-CG2 4.34Å; A58-R878 HydrophobicContact CB-CB 4.15Å; A58-E880 VanDerWaalsContact CA-OE1 3.3Å; A58-E880 WeakPolarHBondContact CA-OE1 3.4Å; A58-E880 HydrophobicContact CB-CG 4.41Å
59	G	86.6	Confident	81.7	Confident	2 Å²	2	41.1 Å²	41.1	2%	0.021	21%	0.211	C	C	.	.			trans	132.7	-175.9	177.5	0	0	0	0	0	114.6	L45 E880	L45-G59 CarbonylContact O-C 3.57Å; L45-G59 WeakPolarHBondContact O-CA 3.36Å; G59-E880 PolarHBondContact N-OE1 2.88Å
60	Y	88.8	Confident	82.1	Confident	4 Å²	4	39 Å²	39	2%	0.016	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	152.1	-164.5	45.8	-97	0	0	0	112.1	L45 I62 E93 V95 L782 V827 M829 L832 A834	L45-Y60 HydrophobicContact CB-CE2 4.23Å; L45-Y60 HydrophobicContact CD2-CE1 3.81Å; L45-Y60 HydrophobicContact CD2-CE2 4.32Å; L45-Y60 PolarHBondContact N-O 3.11Å; L45-Y60 PolarHBondContact O-N 2.92Å; Y60-I62 HydrophobicContact CD2-CD1 4.4Å; Y60-I62 HydrophobicContact CD2-CG1 4.21Å; Y60-I62 HydrophobicContact CE2-CD1 4.39Å; Y60-E93 WeakPolarHBondContact CA-O 3.42Å; Y60-V95 WeakPolarHBondContact O-CG2 3.31Å; Y60-L782 HydrophobicContact CE2-CD1 4.11Å; Y60-L782 HydrophobicContact CE2-CD2 4.5Å; Y60-V827 WeakPolarHBondContact OH-CG1 3.27Å; Y60-M829 HydrophobicContact CE2-SD 3.54Å; Y60-M829 VanDerWaalsContact CE2-SD 3.54Å; Y60-M829 WeakPolarHBondContact OH-CG 3.49Å; Y60-M829 PolarHBondContact OH-SD 3.42Å; Y60-M829 VanDerWaalsContact OH-SD 3.36Å; Y60-L832 HydrophobicContact CD1-CD1 4.4Å; Y60-L832 HydrophobicContact CD1-CD2 3.4Å; Y60-L832 VanDerWaalsContact CD1-CD2 3.4Å; Y60-L832 HydrophobicContact CD1-CG 3.73Å; Y60-L832 HydrophobicContact CD2-CD2 4.12Å; Y60-L832 HydrophobicContact CE1-CD2 3.95Å; Y60-L832 HydrophobicContact CE1-CG 3.9Å; Y60-L832 HydrophobicContact CG-CD2 3.5Å; Y60-L832 HydrophobicContact CG-CG 4.33Å; Y60-A834 HydrophobicContact CD1-CB 4.24Å; Y60-A834 HydrophobicContact CE1-CB 3.9Å
61	R	91.8	Very high	82.9	Confident	68 Å²	68	38.7 Å²	38.7	26%	0.257	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	132.8	168.1	177.8	-177.2	-64.7	130.1	1.6	107.9	T43 E44 I92 E93 V95	T43-R61 CarbonylContact O-C 3.52Å; T43-R61 WeakPolarHBondContact O-CA 3.24Å; E44-R61 HydrophobicContact CG-CB 4.33Å; E44-R61 HydrophobicContact CG-CG 4.15Å; E44-R61 IonicContact OE1-CZ 2.82Å; E44-R61 IonicContact OE1-NE 3.5Å; E44-R61 PolarHBondContact OE1-NE 2.74Å; E44-R61 IonicContact OE1-NH2 3.65Å; E44-R61 PolarHBondContact OE1-NH2 2.75Å; R61-I92 WeakPolarHBondContact O-CA 3.41Å; R61-E93 HydrophobicContact CB-CB 4.39Å; R61-E93 PolarHBondContact N-O 3.1Å; R61-E93 PolarHBondContact O-N 3.26Å; R61-V95 HydrophobicContact CB-CG2 4.25Å
62	I	92.5	Very high	83.9	Confident	11 Å²	11	31 Å²	31	6%	0.056	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.3	165.8	-54.2	174.6	0	0	0	106.3	T42 T43 Y60 V90 R91 I92 M829	T42-I62 CarbonylContact C-O 3.58Å; T42-I62 WeakPolarHBondContact CA-O 3.5Å; T43-I62 HydrophobicContact CG2-CB 3.87Å; T43-I62 HydrophobicContact CG2-CD1 4.48Å; T43-I62 HydrophobicContact CG2-CG1 4.47Å; T43-I62 PolarHBondContact N-O 3.05Å; T43-I62 PolarHBondContact O-N 3.32Å; Y60-I62 HydrophobicContact CD2-CD1 4.4Å; Y60-I62 HydrophobicContact CD2-CG1 4.21Å; Y60-I62 HydrophobicContact CE2-CD1 4.39Å; I62-V90 HydrophobicContact CG2-CG1 4.16Å; I62-R91 WeakPolarHBondContact CA-O 3.48Å; I62-I92 HydrophobicContact CG1-CG1 4.39Å; I62-M829 HydrophobicContact CD1-CE 3.84Å; I62-M829 HydrophobicContact CD1-SD 4.09Å
63	S	94.4	Very high	85.1	Confident	17 Å²	17	30.9 Å²	30.9	12%	0.119	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	145.3	177.4	53.9	0	0	0	0	110	Y41 V90 R91	Y41-S63 CarbonylContact O-C 3.54Å; Y41-S63 WeakPolarHBondContact O-CA 3.28Å; S63-V90 CarbonylContact O-C 3.58Å; S63-V90 WeakPolarHBondContact O-CA 3.41Å; S63-R91 PolarHBondContact N-O 2.69Å; S63-R91 PolarHBondContact O-N 3.02Å
64	S	95.9	Very high	86.3	Confident	7 Å²	7	30.7 Å²	30.7	5%	0.049	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	151.8	-175.8	57.2	0	0	0	0	111.5	Y41	Y41-S64 PolarHBondContact N-O 3.49Å; Y41-S64 PolarHBondContact O-N 3.34Å; Y41-S64 VanDerWaalsContact O-O 3.11Å
65	D	96.4	Very high	87.6	Confident	47 Å²	47	25.5 Å²	25.5	25%	0.251	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	135.9	167.9	-58.9	-41.8	0	0	0	109.7	F39 S88 N89	F39-D65 WeakPolarHBondContact O-CA 3.42Å; D65-S88 PolarHBondContact N-O 2.94Å; D65-S88 PolarHBondContact O-N 3.18Å; D65-S88 PolarHBondContact O-OG 3.31Å; D65-N89 WeakPolarHBondContact OD2-CB 3.45Å; D65-N89 PolarHBondContact OD2-ND2 2.85Å
66	V	96.1	Very high	88.9	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	115	-179	-178.4	0	0	0	0	108.9	F39 Y41 I68 L85 S86 I87 I155	F39-V66 HydrophobicContact CB-CB 4.49Å; F39-V66 PolarHBondContact N-O 2.71Å; F39-V66 PolarHBondContact O-N 3.46Å; Y41-V66 HydrophobicContact CG-CG2 4.44Å; V66-I68 HydrophobicContact CG1-CD1 4.31Å; V66-I68 HydrophobicContact CG1-CG1 3.99Å; V66-L85 HydrophobicContact CG1-CD2 4.45Å; V66-S86 WeakPolarHBondContact CA-O 3.43Å; V66-I87 HydrophobicContact CG2-CG1 4.4Å; V66-I155 HydrophobicContact CG1-CG2 4.46Å
67	N	94.8	Very high	89.6	Confident	30 Å²	30	27.7 Å²	27.7	16%	0.16	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.5	175	-43.8	-70.7	0	0	0	109.3	L36 Y37 K38 L85 S86 S88	L36-N67 HydrophobicContact CD1-CB 3.98Å; L36-N67 HydrophobicContact CG-CB 4.44Å; Y37-N67 WeakPolarHBondContact O-CA 3.4Å; K38-N67 WeakPolarHBondContact CG-OD1 3.17Å; N67-L85 WeakPolarHBondContact O-CA 3.49Å; N67-S86 PolarHBondContact N-O 3.24Å; N67-S86 PolarHBondContact O-N 3.13Å; N67-S86 PolarHBondContact O-OG 2.67Å; N67-S88 PolarHBondContact ND2-OG 3.08Å
68	I	93.3	Very high	89.6	Confident	4 Å²	4	33.8 Å²	33.8	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	131.1	-177.4	-44.5	-175.1	0	0	0	109.9	L31 Y37 F39 V66 I83 Q84 L85 L159	L31-I68 HydrophobicContact CD2-CG2 3.85Å; Y37-I68 PolarHBondContact N-O 3.45Å; Y37-I68 PolarHBondContact O-N 3.25Å; F39-I68 HydrophobicContact CD2-CD1 3.75Å; F39-I68 HydrophobicContact CD2-CG1 3.98Å; F39-I68 HydrophobicContact CE2-CB 4.47Å; F39-I68 HydrophobicContact CE2-CD1 3.65Å; F39-I68 HydrophobicContact CE2-CG1 4.1Å; V66-I68 HydrophobicContact CG1-CD1 4.31Å; V66-I68 HydrophobicContact CG1-CG1 3.99Å; I68-I83 HydrophobicContact CG2-CB 4.44Å; I68-I83 HydrophobicContact CG2-CD1 4.08Å; I68-Q84 WeakPolarHBondContact CA-O 3.38Å; I68-Q84 WeakPolarHBondContact CG2-O 3.24Å; I68-L85 HydrophobicContact CD1-CD2 4.37Å; I68-L85 HydrophobicContact CD1-CG 4.43Å; I68-L85 HydrophobicContact CG1-CG 4.24Å; I68-L85 HydrophobicContact CG2-CG 4.31Å; I68-L159 HydrophobicContact CD1-CD1 3.96Å; I68-L159 HydrophobicContact CD1-CD2 4.04Å
69	N	92.6	Very high	89.5	Confident	9 Å²	9	34.7 Å²	34.7	5%	0.048	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	156	175	60.5	-80.8	0	0	0	111.6	L36 I83 Q84 P268	L36-N69 HydrophobicContact CD1-CB 3.96Å; N69-I83 WeakPolarHBondContact O-CA 3.31Å; N69-Q84 PolarHBondContact N-O 3.37Å; N69-Q84 VanDerWaalsContact N-O 3.11Å; N69-Q84 PolarHBondContact ND2-OE1 3.32Å; N69-Q84 PolarHBondContact O-N 3.41Å; N69-P268 HydrophobicContact CB-CG 4.29Å
70	L	91.4	Very high	89.6	Confident	3 Å²	3	34.9 Å²	34.9	2%	0.016	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	142.2	164	-170.1	64.1	0	0	0	109.1	L31 W72 Q81 I83 E270	L31-L70 HydrophobicContact CB-CB 4.34Å; L70-W72 WeakPolarHBondContact CD1-O 3.34Å; L70-Q81 HydrophobicContact CD1-CB 4.05Å; L70-Q81 HydrophobicContact CD1-CG 4.42Å; L70-I83 HydrophobicContact CD1-CG2 4.31Å; L70-E270 HydrophobicContact CD2-CG 4.06Å; L70-E270 WeakPolarHBondContact CD2-OE2 3.44Å; L70-E270 HydrophobicContact CG-CG 4.21Å
71	V	90.8	Very high	89.6	Confident	5 Å²	5	34.9 Å²	34.9	3%	0.03	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	-41	171.6	174.7	0	0	0	0	110.5	L82 Q84 L127 E270 V271 V279 V283	V71-L82 HydrophobicContact CG1-CD2 4.3Å; V71-L82 PolarHBondContact N-O 2.86Å; V71-Q84 HydrophobicContact CG2-CB 3.46Å; V71-Q84 VanDerWaalsContact CG2-CB 3.46Å; V71-L127 HydrophobicContact CG2-CD2 4.16Å; V71-E270 CarbonylContact O-C 3.59Å; V71-E270 WeakPolarHBondContact O-CA 3.13Å; V71-V271 HydrophobicContact CG1-CB 4.38Å; V71-V271 HydrophobicContact CG1-CG2 3.96Å; V71-V271 PolarHBondContact O-N 2.85Å; V71-V279 HydrophobicContact CG1-CG1 4.2Å; V71-V283 HydrophobicContact CG1-CG2 3.91Å
72	W	91.1	Very high	89.6	Confident	11 Å²	11	31.6 Å²	31.6	4%	0.042	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	152.7	-178.7	168.8	94.8	0	0	0	110.4	L70 D74 L82 G273 I276 V279	L70-W72 WeakPolarHBondContact CD1-O 3.34Å; W72-D74 HydrophobicContact CH2-CB 3.53Å; W72-D74 HydrophobicContact CZ2-CB 4.02Å; W72-D74 HydrophobicContact CZ3-CB 4.1Å; W72-L82 HydrophobicContact CB-CB 4.19Å; W72-L82 HydrophobicContact CE3-CB 4.04Å; W72-L82 PolarHBondContact N-O 3.34Å; W72-L82 PolarHBondContact O-N 2.86Å; W72-G273 PolarHBondContact NE1-O 3.48Å; W72-I276 HydrophobicContact CE3-CD1 4.47Å; W72-I276 HydrophobicContact CE3-CG1 3.96Å; W72-I276 HydrophobicContact CH2-CD1 3.9Å; W72-I276 HydrophobicContact CH2-CG1 3.49Å; W72-I276 VanDerWaalsContact CH2-CG1 3.49Å; W72-I276 HydrophobicContact CZ2-CG1 4.18Å; W72-I276 HydrophobicContact CZ3-CD1 3.62Å; W72-I276 HydrophobicContact CZ3-CG1 3.39Å; W72-V279 HydrophobicContact CB-CG1 3.91Å; W72-V279 HydrophobicContact CB-CG2 4.46Å; W72-V279 HydrophobicContact CG-CG1 4.3Å; W72-V279 HydrophobicContact CG-CG2 4.01Å
73	R	88.6	Confident	89.6	Confident	39 Å²	39	31.1 Å²	31.1	15%	0.147	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	140.6	171.9	173.3	177	-75.3	132.6	-0.8	108.7	L31 N33 P75 K78 D80 Q81	L31-R73 PolarHBondContact O-NH2 3.45Å; N33-R73 PolarHBondContact OD1-NH1 2.86Å; R73-P75 WeakPolarHBondContact O-CD 3.5Å; R73-K78 PolarHBondContact NE-O 2.89Å; R73-D80 WeakPolarHBondContact CA-O 3.17Å; R73-Q81 HydrophobicContact CG-CG 4.41Å; R73-Q81 VanDerWaalsContact NH2-CD 3.32Å
74	D	86	Confident	89.6	Confident	33 Å²	33	32.6 Å²	32.6	18%	0.176	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	121.2	176.4	-173.9	-17.4	0	0	0	109.9	W72 S76 N77 D80	W72-D74 HydrophobicContact CH2-CB 3.53Å; W72-D74 HydrophobicContact CZ2-CB 4.02Å; W72-D74 HydrophobicContact CZ3-CB 4.1Å; D74-S76 PolarHBondContact O-N 3.25Å; D74-S76 VanDerWaalsContact O-N 3.08Å; D74-S76 WeakPolarHBondContact OD1-CA 3.33Å; D74-S76 WeakPolarHBondContact OD1-CB 3.15Å; D74-S76 PolarHBondContact OD1-N 3Å; D74-S76 PolarHBondContact OD1-OG 2.85Å; D74-N77 HydrophobicContact CB-CB 4.33Å; D74-N77 CarbonylContact O-C 3.51Å; D74-N77 PolarHBondContact O-N 2.86Å; D74-N77 VanDerWaalsContact O-N 3.1Å; D74-D80 HydrophobicContact CB-CB 3.8Å; D74-D80 PolarHBondContact N-O 3.25Å
75	P	82.4	Confident	89.5	Confident	112 Å²	112	32.2 Å²	32.2	73%	0.727	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-25.4	175.2	-25.5	35.4	0	0	0	113.4	R73	R73-P75 WeakPolarHBondContact O-CD 3.5Å
76	S	82.6	Confident	89.4	Confident	111 Å²	111	31.5 Å²	31.5	78%	0.776	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-24.3	-178.7	-18.5	0	0	0	0	113.1	D74	D74-S76 PolarHBondContact O-N 3.25Å; D74-S76 VanDerWaalsContact O-N 3.08Å; D74-S76 WeakPolarHBondContact OD1-CA 3.33Å; D74-S76 WeakPolarHBondContact OD1-CB 3.15Å; D74-S76 PolarHBondContact OD1-N 3Å; D74-S76 PolarHBondContact OD1-OG 2.85Å
77	N	81.9	Confident	89.3	Confident	44 Å²	44	31.8 Å²	31.8	24%	0.235	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	106.8	-176.8	-179	23	0	0	0	112.8	D74 D79 D80	D74-N77 HydrophobicContact CB-CB 4.33Å; D74-N77 CarbonylContact O-C 3.51Å; D74-N77 PolarHBondContact O-N 2.86Å; D74-N77 VanDerWaalsContact O-N 3.1Å; N77-D79 PolarHBondContact O-N 2.89Å; N77-D79 PolarHBondContact OD1-N 2.98Å; N77-D80 HydrophobicContact CB-CB 4.19Å; N77-D80 PolarHBondContact O-N 3.06Å
78	K	79.4	Confident	89.3	Confident	151 Å²	151	31.9 Å²	31.9	66%	0.657	18%	0.178	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	-15.3	-178.3	-60.1	-176.2	-179.2	-179.1	0	114.3	R73 Q81	R73-K78 PolarHBondContact NE-O 2.89Å; K78-Q81 PolarHBondContact O-NE2 2.73Å
79	D	81.7	Confident	89.2	Confident	21 Å²	21	36.8 Å²	36.8	11%	0.112	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	6.4	174.3	-68.1	-61	0	0	0	114.3	R30 N77 K131 N132	R30-D79 IonicContact CZ-OD1 3.22Å; R30-D79 VanDerWaalsContact CZ-OD1 3.3Å; R30-D79 IonicContact CZ-OD2 2.72Å; R30-D79 IonicContact NE-OD1 3.95Å; R30-D79 PolarHBondContact NE-OD1 3.12Å; R30-D79 IonicContact NE-OD2 3.57Å; R30-D79 VanDerWaalsContact NH2-CG 3.25Å; R30-D79 IonicContact NH2-OD1 3.37Å; R30-D79 PolarHBondContact NH2-OD1 2.97Å; R30-D79 IonicContact NH2-OD2 3.65Å; R30-D79 PolarHBondContact NH2-OD2 3Å; N77-D79 PolarHBondContact O-N 2.89Å; N77-D79 PolarHBondContact OD1-N 2.98Å; D79-K131 CarbonylContact O-C 3.4Å; D79-K131 WeakPolarHBondContact O-CA 3.24Å; D79-N132 PolarHBondContact O-N 3.27Å
80	D	88.8	Confident	89.2	Confident	5 Å²	5	37 Å²	37	3%	0.027	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	111.6	171	-158.2	-55.8	0	0	0	108.9	R73 D74 N77 H129 K131	R73-D80 WeakPolarHBondContact CA-O 3.17Å; D74-D80 HydrophobicContact CB-CB 3.8Å; D74-D80 PolarHBondContact N-O 3.25Å; N77-D80 HydrophobicContact CB-CB 4.19Å; N77-D80 PolarHBondContact O-N 3.06Å; D80-H129 IonicContact OD1-CD2 3.49Å; D80-H129 IonicContact OD1-CE1 2.69Å; D80-H129 IonicContact OD1-NE2 2.64Å; D80-H129 PolarHBondContact OD1-NE2 2.9Å; D80-H129 IonicContact OD2-NE2 3.52Å; D80-K131 HydrophobicContact CB-CG 4.36Å; D80-K131 WeakPolarHBondContact OD2-CD 3.48Å; D80-K131 WeakPolarHBondContact OD2-CE 3.47Å; D80-K131 VanDerWaalsContact OD2-CG 3.29Å; D80-K131 WeakPolarHBondContact OD2-CG 3.33Å; D80-K131 IonicContact OD2-NZ 3.67Å; D80-K131 PolarHBondContact OD2-NZ 3.15Å
81	Q	89.6	Confident	89.2	Confident	4 Å²	4	43.9 Å²	43.9	2%	0.019	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	135.6	-164.6	-57.6	-174.5	19.6	0	0	111.2	L70 R73 K78 L130	L70-Q81 HydrophobicContact CD1-CB 4.05Å; L70-Q81 HydrophobicContact CD1-CG 4.42Å; R73-Q81 HydrophobicContact CG-CG 4.41Å; R73-Q81 VanDerWaalsContact NH2-CD 3.32Å; K78-Q81 PolarHBondContact O-NE2 2.73Å; Q81-L130 PolarHBondContact N-O 2.92Å; Q81-L130 PolarHBondContact O-N 2.92Å
82	L	91.5	Very high	89.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	116.7	169.6	-172.3	69.5	0	0	0	108.2	V71 W72 L127 H129 Y139 I276 V279 V280	V71-L82 HydrophobicContact CG1-CD2 4.3Å; V71-L82 PolarHBondContact N-O 2.86Å; W72-L82 HydrophobicContact CB-CB 4.19Å; W72-L82 HydrophobicContact CE3-CB 4.04Å; W72-L82 PolarHBondContact N-O 3.34Å; W72-L82 PolarHBondContact O-N 2.86Å; L82-L127 HydrophobicContact CD1-CB 4.04Å; L82-L127 HydrophobicContact CD2-CD1 4.28Å; L82-L127 HydrophobicContact CG-CB 4.48Å; L82-H129 HydrophobicContact CD1-CB 4.2Å; L82-Y139 HydrophobicContact CD1-CD2 4.37Å; L82-Y139 HydrophobicContact CD1-CE2 4.27Å; L82-I276 HydrophobicContact CD1-CG2 4.26Å; L82-I276 HydrophobicContact CD2-CG2 4.44Å; L82-V279 HydrophobicContact CD2-CB 4.46Å; L82-V279 HydrophobicContact CD2-CG1 3.72Å; L82-V280 HydrophobicContact CD1-CG2 4.36Å; L82-V280 HydrophobicContact CD2-CG2 3.9Å
83	I	92.4	Very high	89	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	149.8	177.4	61.9	167.1	0	0	0	110.7	L31 I68 N69 L70 L85 L127 V128 L130 L159	L31-I83 HydrophobicContact CD1-CG2 3.92Å; L31-I83 HydrophobicContact CD2-CG2 3.88Å; L31-I83 HydrophobicContact CG-CG2 4.44Å; I68-I83 HydrophobicContact CG2-CB 4.44Å; I68-I83 HydrophobicContact CG2-CD1 4.08Å; N69-I83 WeakPolarHBondContact O-CA 3.31Å; L70-I83 HydrophobicContact CD1-CG2 4.31Å; I83-L85 HydrophobicContact CD1-CD1 3.87Å; I83-L85 HydrophobicContact CG1-CD1 4.01Å; I83-L127 CarbonylContact O-C 3.57Å; I83-L127 VanDerWaalsContact O-CA 3.31Å; I83-L127 WeakPolarHBondContact O-CA 3.49Å; I83-V128 HydrophobicContact CD1-CB 4.32Å; I83-V128 HydrophobicContact CG1-CB 3.92Å; I83-V128 WeakPolarHBondContact CG1-O 3.23Å; I83-V128 PolarHBondContact N-O 2.9Å; I83-V128 PolarHBondContact O-N 3.23Å; I83-L130 HydrophobicContact CD1-CD1 3.77Å; I83-L130 HydrophobicContact CD1-CG 4.4Å; I83-L130 HydrophobicContact CG1-CD1 4.31Å; I83-L159 HydrophobicContact CD1-CD1 3.57Å
84	Q	93.8	Very high	88.7	Confident	47 Å²	47	46.3 Å²	46.3	22%	0.22	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	138.4	171.7	177	173.7	16.1	0	0	109.4	I68 N69 V71 P125 L127	I68-Q84 WeakPolarHBondContact CA-O 3.38Å; I68-Q84 WeakPolarHBondContact CG2-O 3.24Å; N69-Q84 PolarHBondContact N-O 3.37Å; N69-Q84 VanDerWaalsContact N-O 3.11Å; N69-Q84 PolarHBondContact ND2-OE1 3.32Å; N69-Q84 PolarHBondContact O-N 3.41Å; V71-Q84 HydrophobicContact CG2-CB 3.46Å; V71-Q84 VanDerWaalsContact CG2-CB 3.46Å; Q84-P125 HydrophobicContact CG-CB 4.25Å; Q84-L127 HydrophobicContact CB-CD2 3.59Å; Q84-L127 HydrophobicContact CG-CD2 3.91Å
85	L	94.6	Very high	88.3	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.3	170.3	-66.4	82	0	0	0	108.5	V66 N67 I68 I83 P125 F126 V128 I155 L159	V66-L85 HydrophobicContact CG1-CD2 4.45Å; N67-L85 WeakPolarHBondContact O-CA 3.49Å; I68-L85 HydrophobicContact CD1-CD2 4.37Å; I68-L85 HydrophobicContact CD1-CG 4.43Å; I68-L85 HydrophobicContact CG1-CG 4.24Å; I68-L85 HydrophobicContact CG2-CG 4.31Å; I83-L85 HydrophobicContact CD1-CD1 3.87Å; I83-L85 HydrophobicContact CG1-CD1 4.01Å; L85-P125 WeakPolarHBondContact O-CA 3.34Å; L85-F126 HydrophobicContact CB-CD1 4.26Å; L85-F126 HydrophobicContact CB-CD2 4.3Å; L85-F126 HydrophobicContact CB-CE1 3.75Å; L85-F126 HydrophobicContact CB-CE2 3.79Å; L85-F126 HydrophobicContact CB-CZ 3.5Å; L85-F126 HydrophobicContact CD1-CE2 4.07Å; L85-F126 HydrophobicContact CD2-CE2 3.83Å; L85-F126 HydrophobicContact CD2-CZ 3.7Å; L85-F126 HydrophobicContact CG-CE2 4.12Å; L85-F126 HydrophobicContact CG-CZ 4.13Å; L85-F126 PolarHBondContact N-O 2.69Å; L85-F126 PolarHBondContact O-N 2.99Å; L85-V128 HydrophobicContact CD1-CB 4.1Å; L85-V128 HydrophobicContact CD1-CG2 3.65Å; L85-I155 HydrophobicContact CD2-CG2 4.03Å; L85-L159 HydrophobicContact CD1-CD1 4.41Å; L85-L159 HydrophobicContact CD2-CD1 3.97Å
86	S	94.1	Very high	87.7	Confident	31 Å²	31	42.2 Å²	42.2	22%	0.217	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	141.5	170	56.7	0	0	0	0	109.5	V66 N67	V66-S86 WeakPolarHBondContact CA-O 3.43Å; N67-S86 PolarHBondContact N-O 3.24Å; N67-S86 PolarHBondContact O-N 3.13Å; N67-S86 PolarHBondContact O-OG 2.67Å
87	I	95.1	Very high	87	Confident	6 Å²	6	46.4 Å²	46.4	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130.4	-176.2	-54.4	175.4	0	0	0	108.3	V66 V90 L122 T123 F126 K152 I155	V66-I87 HydrophobicContact CG2-CG1 4.4Å; I87-V90 HydrophobicContact CG2-CG2 3.71Å; I87-L122 HydrophobicContact CD1-CD1 3.95Å; I87-T123 VanDerWaalsContact O-CA 3.27Å; I87-T123 WeakPolarHBondContact O-CA 3.41Å; I87-T123 VanDerWaalsContact O-CB 3.3Å; I87-T123 WeakPolarHBondContact O-CB 3.08Å; I87-T123 WeakPolarHBondContact O-CG2 3.5Å; I87-F126 HydrophobicContact CD1-CE1 3.94Å; I87-F126 HydrophobicContact CG1-CE1 4.14Å; I87-K152 HydrophobicContact CD1-CG 4.33Å; I87-I155 HydrophobicContact CD1-CD1 3.58Å; I87-I155 HydrophobicContact CG1-CD1 4.4Å
88	S	93.6	Very high	86.5	Confident	33 Å²	33	47.3 Å²	47.3	23%	0.231	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	166.9	-177.9	42.1	0	0	0	0	111.4	D65 N67 V90	D65-S88 PolarHBondContact N-O 2.94Å; D65-S88 PolarHBondContact O-N 3.18Å; D65-S88 PolarHBondContact O-OG 3.31Å; N67-S88 PolarHBondContact ND2-OG 3.08Å; S88-V90 PolarHBondContact O-N 3.11Å; S88-V90 VanDerWaalsContact O-N 3.09Å
89	N	91.7	Very high	86	Confident	107 Å²	107	43.7 Å²	43.7	57%	0.572	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	53.1	33.9	172.8	-60.3	-22.4	0	0	0	115.2	D65 R91	D65-N89 WeakPolarHBondContact OD2-CB 3.45Å; D65-N89 PolarHBondContact OD2-ND2 2.85Å; N89-R91 PolarHBondContact O-N 2.71Å
90	V	91.9	Very high	85.3	Confident	12 Å²	12	48.9 Å²	48.9	7%	0.073	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	129.3	-178.4	-176.4	0	0	0	0	110.8	I62 S63 I87 S88 T110 L114 L119 L122	I62-V90 HydrophobicContact CG2-CG1 4.16Å; S63-V90 CarbonylContact O-C 3.58Å; S63-V90 WeakPolarHBondContact O-CA 3.41Å; I87-V90 HydrophobicContact CG2-CG2 3.71Å; S88-V90 PolarHBondContact O-N 3.11Å; S88-V90 VanDerWaalsContact O-N 3.09Å; V90-T110 HydrophobicContact CB-CG2 4.07Å; V90-T110 HydrophobicContact CG1-CG2 3.91Å; V90-T110 WeakPolarHBondContact O-CB 3.43Å; V90-T110 VanDerWaalsContact O-CG2 3.27Å; V90-T110 WeakPolarHBondContact O-CG2 3.39Å; V90-T110 PolarHBondContact O-OG1 2.91Å; V90-L114 HydrophobicContact CG1-CD1 4.5Å; V90-L119 HydrophobicContact CB-CD1 4.41Å; V90-L122 HydrophobicContact CG1-CD2 4Å; V90-L122 HydrophobicContact CG2-CD2 4Å; V90-L122 HydrophobicContact CG2-CG 4.47Å
91	R	91.6	Very high	84.3	Confident	149 Å²	149	58 Å²	58	56%	0.562	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	153.5	172.7	-54.3	176.8	-170.1	-172.1	1.3	109.7	I62 S63 N89	I62-R91 WeakPolarHBondContact CA-O 3.48Å; S63-R91 PolarHBondContact N-O 2.69Å; S63-R91 PolarHBondContact O-N 3.02Å; N89-R91 PolarHBondContact O-N 2.71Å
92	I	89.3	Confident	83.3	Confident	15 Å²	15	62 Å²	62	8%	0.077	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	120.3	176.1	-54.7	177.6	0	0	0	107	R61 I62 L105 I113 L114 F831 L832	R61-I92 WeakPolarHBondContact O-CA 3.41Å; I62-I92 HydrophobicContact CG1-CG1 4.39Å; I92-L105 HydrophobicContact CG2-CD1 4.01Å; I92-L105 HydrophobicContact CG2-CD2 4.25Å; I92-I113 HydrophobicContact CB-CD1 4.16Å; I92-I113 HydrophobicContact CD1-CB 4.32Å; I92-I113 HydrophobicContact CD1-CG2 3.69Å; I92-L114 HydrophobicContact CD1-CD1 3.96Å; I92-L114 HydrophobicContact CD1-CG 4.26Å; I92-F831 HydrophobicContact CD1-CE2 4.03Å; I92-L832 HydrophobicContact CG2-CD2 3.92Å
93	E	87.8	Confident	82.7	Confident	62 Å²	62	63 Å²	63	29%	0.29	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	151.1	-167.7	-65.8	168.3	171.6	0	0	109.6	Y60 R61 L105	Y60-E93 WeakPolarHBondContact CA-O 3.42Å; R61-E93 HydrophobicContact CB-CB 4.39Å; R61-E93 PolarHBondContact N-O 3.1Å; R61-E93 PolarHBondContact O-N 3.26Å; E93-L105 VanDerWaalsContact C-CD1 3.46Å
94	P	83.1	Confident	82	Confident	29 Å²	29	63 Å²	63	19%	0.188	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	140.8	171.5	32.1	-34.6	0	0	0	109.6
95	V	76.8	Confident	81.4	Confident	27 Å²	27	61.5 Å²	61.5	16%	0.164	31%	0.306	C	S	.	.	S	Bend	trans	-73.7	-34.9	179.5	-163.7	0	0	0	0	111.6	E44 L45 L46 Y60 R61	E44-V95 HydrophobicContact CB-CG2 4.49Å; L45-V95 WeakPolarHBondContact O-CG2 3.44Å; L46-V95 HydrophobicContact CD1-CG1 4.29Å; L46-V95 HydrophobicContact CD2-CB 3.82Å; L46-V95 HydrophobicContact CD2-CG1 3.74Å; L46-V95 HydrophobicContact CD2-CG2 4.26Å; L46-V95 HydrophobicContact CG-CG1 4.14Å; Y60-V95 WeakPolarHBondContact O-CG2 3.31Å; R61-V95 HydrophobicContact CB-CG2 4.25Å
96	T	71.2	Confident	80.7	Confident	32 Å²	32	65.3 Å²	65.3	20%	0.196	32%	0.324	C	S	.	.	S	Bend	trans	-95.7	134.9	172.7	58.9	0	0	0	0	110.2	R98	T96-R98 PolarHBondContact OG1-NE 2.83Å; T96-R98 PolarHBondContact OG1-NH2 2.91Å
97	E	67.9	Low	79.7	Confident	199 Å²	199	67.6 Å²	67.6	93%	0.93	35%	0.352	S	S	*	.			trans	-60.2	138	165.1	-65.9	-173.6	160.7	0	0	110.7
98	R	70.8	Confident	78.9	Confident	62 Å²	62	68.9 Å²	68.9	23%	0.234	36%	0.363	C	S	.	.			trans	-145.8	150.1	-179.8	-63.2	-176.5	-167.1	156.7	7.8	109.9	S57 T96 N102 E880	S57-R98 PolarHBondContact O-NH2 2.95Å; T96-R98 PolarHBondContact OG1-NE 2.83Å; T96-R98 PolarHBondContact OG1-NH2 2.91Å; R98-N102 HydrophobicContact CB-CB 4.37Å; R98-N102 VanDerWaalsContact CD-O 3.32Å; R98-N102 WeakPolarHBondContact CD-O 3.49Å; R98-E880 IonicContact CZ-OE1 3.29Å; R98-E880 IonicContact CZ-OE2 2.98Å; R98-E880 IonicContact NH1-OE1 2.7Å; R98-E880 PolarHBondContact NH1-OE1 2.91Å; R98-E880 VanDerWaalsContact NH1-OE1 3.17Å; R98-E880 IonicContact NH1-OE2 3.31Å; R98-E880 PolarHBondContact NH1-OE2 3.01Å; R98-E880 IonicContact NH2-OE1 2.79Å; R98-E880 PolarHBondContact NH2-OE1 3.45Å; R98-E880 IonicContact NH2-OE2 2.81Å
99	S	68.3	Low	78.4	Confident	75 Å²	75	71.4 Å²	71.4	52%	0.524	38%	0.377	S	S	.	.			trans	-57.2	148.7	169.1	55.4	0	0	0	0	111.1	K101 N102 N103	S99-K101 VanDerWaalsContact C-N 3.27Å; S99-K101 PolarHBondContact O-N 3.17Å; S99-K101 VanDerWaalsContact O-N 3.16Å; S99-N102 CarbonylContact O-C 3.57Å; S99-N102 WeakPolarHBondContact O-CA 3.21Å; S99-N102 PolarHBondContact O-N 2.97Å; S99-N102 PolarHBondContact OG-ND2 3.13Å; S99-N103 PolarHBondContact O-N 2.87Å
100	E	67.7	Low	77.9	Confident	131 Å²	131	67.7 Å²	67.7	61%	0.612	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-53.7	-42	-170.8	-54.3	-173.7	124.8	0	0	113.1	N102 N103 H106	E100-N102 PolarHBondContact O-N 2.98Å; E100-N103 PolarHBondContact O-N 3Å; E100-H106 WeakPolarHBondContact CG-NE2 3.25Å; E100-H106 IonicContact OE1-CD2 3.16Å; E100-H106 IonicContact OE1-CE1 3.31Å; E100-H106 IonicContact OE1-NE2 3.91Å; E100-H106 PolarHBondContact OE1-NE2 2.86Å
101	K	67.1	Low	77.5	Confident	196 Å²	196	71.5 Å²	71.5	85%	0.852	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-59.5	-26.1	176.2	-64.3	-176.1	178.7	-179.2	0	113.8	S99	S99-K101 VanDerWaalsContact C-N 3.27Å; S99-K101 PolarHBondContact O-N 3.17Å; S99-K101 VanDerWaalsContact O-N 3.16Å
102	N	69.1	Low	77.1	Confident	87 Å²	87	68 Å²	68	47%	0.465	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-103.4	14.1	-176.9	-69	-15.8	0	0	0	113	R98 S99 E100	R98-N102 HydrophobicContact CB-CB 4.37Å; R98-N102 VanDerWaalsContact CD-O 3.32Å; R98-N102 WeakPolarHBondContact CD-O 3.49Å; S99-N102 CarbonylContact O-C 3.57Å; S99-N102 WeakPolarHBondContact O-CA 3.21Å; S99-N102 PolarHBondContact O-N 2.97Å; S99-N102 PolarHBondContact OG-ND2 3.13Å; E100-N102 PolarHBondContact O-N 2.98Å
103	N	78.9	Confident	76.8	Confident	21 Å²	21	67.6 Å²	67.6	11%	0.112	37%	0.372	C	S	.	.			trans	-118.2	108.7	-178.8	-177.8	-0.6	0	0	0	111.4	S99 E100 L105 H106 K886	S99-N103 PolarHBondContact O-N 2.87Å; E100-N103 PolarHBondContact O-N 3Å; N103-L105 PolarHBondContact O-N 2.87Å; N103-L105 WeakPolarHBondContact OD1-CA 3.45Å; N103-L105 WeakPolarHBondContact OD1-CB 3.48Å; N103-L105 PolarHBondContact OD1-N 3.31Å; N103-H106 HydrophobicContact CB-CB 3.96Å; N103-H106 PolarHBondContact O-N 2.94Å; N103-H106 PolarHBondContact OD1-N 2.85Å; N103-K886 PolarHBondContact O-NZ 2.65Å
104	I	78.9	Confident	76.5	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.01	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.6	175.4	45.4	146.5	0	0	0	112.7	L832 E880 L882 K886 I888	I104-L832 HydrophobicContact CD1-CD1 3.45Å; I104-L832 VanDerWaalsContact CD1-CD1 3.45Å; I104-E880 HydrophobicContact CD1-CB 3.8Å; I104-E880 HydrophobicContact CG1-CB 4.12Å; I104-L882 HydrophobicContact CB-CD1 4.29Å; I104-L882 HydrophobicContact CD1-CD2 4.44Å; I104-L882 HydrophobicContact CD1-CG 4.14Å; I104-K886 HydrophobicContact CG2-CG 4.45Å; I104-K886 WeakPolarHBondContact O-CD 3.44Å; I104-K886 WeakPolarHBondContact O-CE 3.09Å; I104-K886 PolarHBondContact O-NZ 2.88Å; I104-I888 HydrophobicContact CB-CD1 4.46Å; I104-I888 HydrophobicContact CG2-CB 3.99Å; I104-I888 HydrophobicContact CG2-CD1 3.71Å; I104-I888 HydrophobicContact CG2-CG1 3.59Å
105	L	80.8	Confident	76.6	Confident	15 Å²	15	64.8 Å²	64.8	8%	0.079	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-7.4	-177	-53.7	172.7	0	0	0	113.1	I92 E93 N103 G107 A108 I113 L882	I92-L105 HydrophobicContact CG2-CD1 4.01Å; I92-L105 HydrophobicContact CG2-CD2 4.25Å; E93-L105 VanDerWaalsContact C-CD1 3.46Å; N103-L105 PolarHBondContact O-N 2.87Å; N103-L105 WeakPolarHBondContact OD1-CA 3.45Å; N103-L105 WeakPolarHBondContact OD1-CB 3.48Å; N103-L105 PolarHBondContact OD1-N 3.31Å; L105-G107 PolarHBondContact O-N 3.21Å; L105-A108 WeakPolarHBondContact O-CB 3.29Å; L105-A108 PolarHBondContact O-N 3.46Å; L105-I113 HydrophobicContact CD2-CD1 3.68Å; L105-I113 HydrophobicContact CD2-CG1 4.25Å; L105-L882 HydrophobicContact CD2-CD2 4.21Å
106	H	79.2	Confident	77.1	Confident	81 Å²	81	70.8 Å²	70.8	38%	0.375	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	130.7	174.6	-174.9	-78.9	0	0	0	110.8	E100 N103 A108 K886	E100-H106 WeakPolarHBondContact CG-NE2 3.25Å; E100-H106 IonicContact OE1-CD2 3.16Å; E100-H106 IonicContact OE1-CE1 3.31Å; E100-H106 IonicContact OE1-NE2 3.91Å; E100-H106 PolarHBondContact OE1-NE2 2.86Å; N103-H106 HydrophobicContact CB-CB 3.96Å; N103-H106 PolarHBondContact O-N 2.94Å; N103-H106 PolarHBondContact OD1-N 2.85Å; H106-A108 PolarHBondContact O-N 2.87Å; H106-K886 PolarHBondContact O-NZ 2.88Å; H106-K886 VanDerWaalsContact O-NZ 3.13Å
107	G	73.4	Confident	77.8	Confident	78 Å²	78	74.8 Å²	74.8	80%	0.804	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	-1.3	-174	0	0	0	0	0	115.6	L105	L105-G107 PolarHBondContact O-N 3.21Å
108	A	77.9	Confident	78.8	Confident	33 Å²	33	67.1 Å²	67.1	27%	0.273	38%	0.375	S	S	.	.			trans	-92	138.2	-177.5	0	0	0	0	0	111.7	L105 H106 I113	L105-A108 WeakPolarHBondContact O-CB 3.29Å; L105-A108 PolarHBondContact O-N 3.46Å; H106-A108 PolarHBondContact O-N 2.87Å; A108-I113 HydrophobicContact CB-CD1 3.95Å; A108-I113 HydrophobicContact CB-CG1 3.95Å
109	T	82.6	Confident	79.6	Confident	86 Å²	86	65.8 Å²	65.8	53%	0.528	37%	0.373	S	S	.	.			trans	-94.6	157	171.4	64.8	0	0	0	0	109.8	E111 S112 I113	T109-E111 PolarHBondContact O-N 2.85Å; T109-E111 VanDerWaalsContact O-N 3.12Å; T109-S112 PolarHBondContact N-OG 3.22Å; T109-S112 VanDerWaalsContact N-OG 3.12Å; T109-S112 PolarHBondContact O-N 2.87Å; T109-S112 PolarHBondContact O-OG 2.99Å; T109-S112 VanDerWaalsContact O-OG 3.12Å; T109-S112 PolarHBondContact OG1-N 2.84Å; T109-I113 WeakPolarHBondContact O-CG1 3.44Å; T109-I113 PolarHBondContact O-N 2.88Å; T109-I113 VanDerWaalsContact O-N 3.1Å
110	T	82.6	Confident	80.7	Confident	29 Å²	29	64.7 Å²	64.7	18%	0.178	37%	0.368	C	S	.	.	H	α-helix	trans	-51	-37.9	173.5	-52.1	0	0	0	0	111.9	V90 I113 L114 L119	V90-T110 HydrophobicContact CB-CG2 4.07Å; V90-T110 HydrophobicContact CG1-CG2 3.91Å; V90-T110 WeakPolarHBondContact O-CB 3.43Å; V90-T110 VanDerWaalsContact O-CG2 3.27Å; V90-T110 WeakPolarHBondContact O-CG2 3.39Å; V90-T110 PolarHBondContact O-OG1 2.91Å; T110-I113 PolarHBondContact O-N 2.91Å; T110-L114 HydrophobicContact CG2-CD1 3.7Å; T110-L114 WeakPolarHBondContact O-CB 3.49Å; T110-L114 PolarHBondContact O-N 2.83Å; T110-L119 HydrophobicContact CG2-CD1 3.93Å; T110-L119 HydrophobicContact CG2-CD2 4.43Å
111	E	82.9	Confident	81.8	Confident	92 Å²	92	58.9 Å²	58.9	43%	0.43	34%	0.342	S	S	.	.	H	α-helix	trans	-69.7	-37.2	177.9	-165.8	-173.4	131	0	0	113.1	T109 I113 G115 K116 L119	T109-E111 PolarHBondContact O-N 2.85Å; T109-E111 VanDerWaalsContact O-N 3.12Å; E111-I113 VanDerWaalsContact C-N 3.31Å; E111-I113 PolarHBondContact O-N 3.42Å; E111-G115 WeakPolarHBondContact O-CA 3.28Å; E111-G115 PolarHBondContact O-N 2.8Å; E111-K116 HydrophobicContact CG-CG 3.93Å; E111-K116 WeakPolarHBondContact OE1-CE 3.16Å; E111-K116 WeakPolarHBondContact OE1-CG 3.31Å; E111-K116 IonicContact OE1-NZ 3.62Å; E111-L119 HydrophobicContact CB-CD2 4Å; E111-L119 HydrophobicContact CG-CD2 4.26Å
112	S	82.9	Confident	82.9	Confident	75 Å²	75	50 Å²	50	52%	0.524	31%	0.305	S	S	.	.	H	α-helix	trans	-74.2	-22.1	177	73.1	0	0	0	0	113.3	T109	T109-S112 PolarHBondContact N-OG 3.22Å; T109-S112 VanDerWaalsContact N-OG 3.12Å; T109-S112 PolarHBondContact O-N 2.87Å; T109-S112 PolarHBondContact O-OG 2.99Å; T109-S112 VanDerWaalsContact O-OG 3.12Å; T109-S112 PolarHBondContact OG1-N 2.84Å
113	I	82.7	Confident	84	Confident	7 Å²	7	48.5 Å²	48.5	4%	0.036	30%	0.299	C	S	.	.	H	α-helix	trans	-80.7	-59	174.3	-62.9	156.7	0	0	0	111	I92 L105 A108 T109 T110 E111 F831 L882	I92-I113 HydrophobicContact CB-CD1 4.16Å; I92-I113 HydrophobicContact CD1-CB 4.32Å; I92-I113 HydrophobicContact CD1-CG2 3.69Å; L105-I113 HydrophobicContact CD2-CD1 3.68Å; L105-I113 HydrophobicContact CD2-CG1 4.25Å; A108-I113 HydrophobicContact CB-CD1 3.95Å; A108-I113 HydrophobicContact CB-CG1 3.95Å; T109-I113 WeakPolarHBondContact O-CG1 3.44Å; T109-I113 PolarHBondContact O-N 2.88Å; T109-I113 VanDerWaalsContact O-N 3.1Å; T110-I113 PolarHBondContact O-N 2.91Å; E111-I113 VanDerWaalsContact C-N 3.31Å; E111-I113 PolarHBondContact O-N 3.42Å; I113-F831 HydrophobicContact CG2-CD2 3.84Å; I113-F831 HydrophobicContact CG2-CE2 4.4Å; I113-F831 WeakPolarHBondContact O-CB 3.04Å; I113-L882 HydrophobicContact CB-CD2 4.5Å; I113-L882 HydrophobicContact CG1-CD2 4.21Å; I113-L882 HydrophobicContact CG2-CD2 3.85Å
114	L	82.4	Confident	84.6	Confident	6 Å²	6	51.4 Å²	51.4	3%	0.031	31%	0.31	C	S	.	.	H	α-helix	trans	-74.6	-32.1	-176.6	-88	149.1	0	0	0	112.9	V90 I92 T110 K118 L119 L122 I148 F831	V90-L114 HydrophobicContact CG1-CD1 4.5Å; I92-L114 HydrophobicContact CD1-CD1 3.96Å; I92-L114 HydrophobicContact CD1-CG 4.26Å; T110-L114 HydrophobicContact CG2-CD1 3.7Å; T110-L114 WeakPolarHBondContact O-CB 3.49Å; T110-L114 PolarHBondContact O-N 2.83Å; L114-K118 HydrophobicContact CB-CB 4.25Å; L114-K118 HydrophobicContact CD2-CB 3.76Å; L114-K118 VanDerWaalsContact O-CB 3.31Å; L114-K118 WeakPolarHBondContact O-CB 3.37Å; L114-K118 WeakPolarHBondContact O-CD 3.39Å; L114-K118 VanDerWaalsContact O-CG 3.32Å; L114-K118 WeakPolarHBondContact O-CG 3.45Å; L114-L119 HydrophobicContact CB-CB 4.21Å; L114-L119 HydrophobicContact CD1-CD1 4.2Å; L114-L122 HydrophobicContact CD1-CD2 4.38Å; L114-I148 HydrophobicContact CD2-CD1 4.15Å; L114-F831 HydrophobicContact CD2-CD1 3.74Å; L114-F831 HydrophobicContact CD2-CD2 4.37Å; L114-F831 HydrophobicContact CD2-CE1 3.35Å; L114-F831 HydrophobicContact CD2-CE2 4.04Å; L114-F831 HydrophobicContact CD2-CG 4.25Å; L114-F831 HydrophobicContact CD2-CZ 3.51Å; L114-F831 HydrophobicContact CG-CD1 4.49Å; L114-F831 HydrophobicContact CG-CD2 4.36Å; L114-F831 HydrophobicContact CG-CE1 4.3Å; L114-F831 HydrophobicContact CG-CE2 4.15Å; L114-F831 HydrophobicContact CG-CZ 4.12Å
115	G	84.6	Confident	85.3	Confident	26 Å²	26	53.4 Å²	53.4	27%	0.268	32%	0.323	S	S	.	.			trans	77.1	146.7	-163.6	0	0	0	0	0	112.2	E111 T117 K118 L119	E111-G115 WeakPolarHBondContact O-CA 3.28Å; E111-G115 PolarHBondContact O-N 2.8Å; G115-T117 PolarHBondContact O-N 2.83Å; G115-K118 PolarHBondContact O-N 2.91Å; G115-K118 VanDerWaalsContact O-N 3.1Å; G115-L119 PolarHBondContact O-N 3.43Å
116	K	86.3	Confident	86	Confident	153 Å²	153	52.7 Å²	52.7	67%	0.665	32%	0.32	S	S	*	.	H	α-helix	trans	-45.2	-43.3	-177.9	-71.2	-178.5	174.3	-179.2	0	113.9	E111 A120	E111-K116 HydrophobicContact CG-CG 3.93Å; E111-K116 WeakPolarHBondContact OE1-CE 3.16Å; E111-K116 WeakPolarHBondContact OE1-CG 3.31Å; E111-K116 IonicContact OE1-NZ 3.62Å; K116-A120 VanDerWaalsContact O-CB 3.24Å; K116-A120 WeakPolarHBondContact O-CB 3.16Å; K116-A120 PolarHBondContact O-N 3.47Å
117	T	87.5	Confident	86.7	Confident	117 Å²	117	48.9 Å²	48.9	72%	0.718	30%	0.302	S	S	*	.	H	α-helix	trans	-69.7	-42.5	-177.2	50.6	0	0	0	0	113.5	G115 A121	G115-T117 PolarHBondContact O-N 2.83Å; T117-A121 WeakPolarHBondContact O-CB 3.45Å; T117-A121 PolarHBondContact O-N 2.87Å
118	K	87.8	Confident	87.6	Confident	37 Å²	37	45.2 Å²	45.2	16%	0.161	26%	0.264	C	S	.	.	H	α-helix	trans	-75.1	-35.8	178.6	-54.5	-171.5	-169.7	173.1	0	111.7	L114 G115 A121 L122 I148 D830 F831	L114-K118 HydrophobicContact CB-CB 4.25Å; L114-K118 HydrophobicContact CD2-CB 3.76Å; L114-K118 VanDerWaalsContact O-CB 3.31Å; L114-K118 WeakPolarHBondContact O-CB 3.37Å; L114-K118 WeakPolarHBondContact O-CD 3.39Å; L114-K118 VanDerWaalsContact O-CG 3.32Å; L114-K118 WeakPolarHBondContact O-CG 3.45Å; G115-K118 PolarHBondContact O-N 2.91Å; G115-K118 VanDerWaalsContact O-N 3.1Å; K118-A121 WeakPolarHBondContact O-CB 3.39Å; K118-A121 PolarHBondContact O-N 2.89Å; K118-L122 WeakPolarHBondContact O-CB 3.18Å; K118-L122 PolarHBondContact O-N 2.89Å; K118-I148 HydrophobicContact CB-CD1 4.31Å; K118-I148 HydrophobicContact CB-CG1 4.47Å; K118-D830 VanDerWaalsContact NZ-CB 3.29Å; K118-D830 PolarHBondContact NZ-O 2.65Å; K118-F831 HydrophobicContact CD-CD1 3.77Å
119	L	88.9	Confident	88.2	Confident	34 Å²	34	43.8 Å²	43.8	18%	0.178	25%	0.252	C	S	.	.	H	α-helix	trans	-64.3	-47.5	175	-178.7	56	0	0	0	111.2	V90 T110 E111 L114 G115 A121 L122 T123	V90-L119 HydrophobicContact CB-CD1 4.41Å; T110-L119 HydrophobicContact CG2-CD1 3.93Å; T110-L119 HydrophobicContact CG2-CD2 4.43Å; E111-L119 HydrophobicContact CB-CD2 4Å; E111-L119 HydrophobicContact CG-CD2 4.26Å; L114-L119 HydrophobicContact CB-CB 4.21Å; L114-L119 HydrophobicContact CD1-CD1 4.2Å; G115-L119 PolarHBondContact O-N 3.43Å; L119-A121 VanDerWaalsContact C-N 3.26Å; L119-A121 PolarHBondContact O-N 3.25Å; L119-L122 PolarHBondContact O-N 2.8Å; L119-L122 VanDerWaalsContact O-N 3.09Å; L119-T123 HydrophobicContact CD1-CG2 4.19Å; L119-T123 PolarHBondContact O-N 2.85Å; L119-T123 PolarHBondContact O-OG1 3.21Å
120	A	89.6	Confident	88.6	Confident	52 Å²	52	39.9 Å²	39.9	43%	0.43	23%	0.228	S	C	.	.	H	α-helix	trans	-66.3	-25.2	175	0	0	0	0	0	113.7	K116 K124	K116-A120 VanDerWaalsContact O-CB 3.24Å; K116-A120 WeakPolarHBondContact O-CB 3.16Å; K116-A120 PolarHBondContact O-N 3.47Å; A120-K124 VanDerWaalsContact O-CG 3.3Å; A120-K124 WeakPolarHBondContact O-CG 3.18Å
121	A	90.9	Very high	88.8	Confident	9 Å²	9	42 Å²	42	7%	0.074	23%	0.234	C	C	.	.	H	α-helix	trans	-71.9	-40.6	168.5	0	0	0	0	0	111.7	T117 K118 L119 E144 I148 K152	T117-A121 WeakPolarHBondContact O-CB 3.45Å; T117-A121 PolarHBondContact O-N 2.87Å; K118-A121 WeakPolarHBondContact O-CB 3.39Å; K118-A121 PolarHBondContact O-N 2.89Å; L119-A121 VanDerWaalsContact C-N 3.26Å; L119-A121 PolarHBondContact O-N 3.25Å; A121-E144 HydrophobicContact CB-CB 4.48Å; A121-E144 HydrophobicContact CB-CG 3.9Å; A121-I148 HydrophobicContact CB-CG1 4.4Å; A121-I148 HydrophobicContact CB-CG2 4.05Å; A121-K152 VanDerWaalsContact O-CE 3.27Å; A121-K152 WeakPolarHBondContact O-CE 3.3Å; A121-K152 PolarHBondContact O-NZ 2.98Å
122	L	90.6	Very high	88.9	Confident	11 Å²	11	40 Å²	40	6%	0.058	23%	0.226	C	C	.	.	H	α-helix	trans	-69.2	-41.1	-178.2	-175.4	59	0	0	0	112.5	I87 V90 L114 K118 L119 K124 I148 L151 K152	I87-L122 HydrophobicContact CD1-CD1 3.95Å; V90-L122 HydrophobicContact CG1-CD2 4Å; V90-L122 HydrophobicContact CG2-CD2 4Å; V90-L122 HydrophobicContact CG2-CG 4.47Å; L114-L122 HydrophobicContact CD1-CD2 4.38Å; K118-L122 WeakPolarHBondContact O-CB 3.18Å; K118-L122 PolarHBondContact O-N 2.89Å; L119-L122 PolarHBondContact O-N 2.8Å; L119-L122 VanDerWaalsContact O-N 3.09Å; L122-K124 VanDerWaalsContact C-N 3.34Å; L122-I148 HydrophobicContact CB-CD1 4.36Å; L122-I148 HydrophobicContact CB-CG2 4.12Å; L122-I148 HydrophobicContact CD1-CG2 4.15Å; L122-L151 HydrophobicContact CD1-CD1 4.38Å; L122-K152 WeakPolarHBondContact O-CE 3.27Å
123	T	92.3	Very high	88.7	Confident	55 Å²	55	36.6 Å²	36.6	34%	0.337	20%	0.203	S	C	.	.	H	α-helix	trans	-77.8	-16.5	-179.2	58.5	0	0	0	0	114.1	I87 L119	I87-T123 VanDerWaalsContact O-CA 3.27Å; I87-T123 WeakPolarHBondContact O-CA 3.41Å; I87-T123 VanDerWaalsContact O-CB 3.3Å; I87-T123 WeakPolarHBondContact O-CB 3.08Å; I87-T123 WeakPolarHBondContact O-CG2 3.5Å; L119-T123 HydrophobicContact CD1-CG2 4.19Å; L119-T123 PolarHBondContact O-N 2.85Å; L119-T123 PolarHBondContact O-OG1 3.21Å
124	K	92.6	Very high	88.9	Confident	81 Å²	81	38.6 Å²	38.6	35%	0.352	21%	0.212	S	C	.	.	S	Bend	trans	-58.6	132.6	175.1	-97.9	174.3	177.7	-170.9	0	111.8	A120 L122 Y141 K152	A120-K124 VanDerWaalsContact O-CG 3.3Å; A120-K124 WeakPolarHBondContact O-CG 3.18Å; L122-K124 VanDerWaalsContact C-N 3.34Å; K124-Y141 HydrophobicContact CB-CD2 4.42Å; K124-Y141 HydrophobicContact CB-CE2 4.15Å; K124-Y141 HydrophobicContact CD-CD2 3.91Å; K124-Y141 HydrophobicContact CD-CE2 3.9Å; K124-Y141 HydrophobicContact CG-CE2 4.23Å; K124-K152 PolarHBondContact O-NZ 3.27Å
125	P	93.2	Very high	89.2	Confident	45 Å²	45	38.9 Å²	38.9	29%	0.292	21%	0.213	S	C	.	.			trans	-63.5	154	178.2	28.5	-35.2	0	0	0	111.5	Q84 L85	Q84-P125 HydrophobicContact CG-CB 4.25Å; L85-P125 WeakPolarHBondContact O-CA 3.34Å
126	F	94.5	Very high	89.4	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	159.3	178.3	60.8	-83.4	0	0	0	109.8	L85 I87 V128 F138 Y139 K152	L85-F126 HydrophobicContact CB-CD1 4.26Å; L85-F126 HydrophobicContact CB-CD2 4.3Å; L85-F126 HydrophobicContact CB-CE1 3.75Å; L85-F126 HydrophobicContact CB-CE2 3.79Å; L85-F126 HydrophobicContact CB-CZ 3.5Å; L85-F126 HydrophobicContact CD1-CE2 4.07Å; L85-F126 HydrophobicContact CD2-CE2 3.83Å; L85-F126 HydrophobicContact CD2-CZ 3.7Å; L85-F126 HydrophobicContact CG-CE2 4.12Å; L85-F126 HydrophobicContact CG-CZ 4.13Å; L85-F126 PolarHBondContact N-O 2.69Å; L85-F126 PolarHBondContact O-N 2.99Å; I87-F126 HydrophobicContact CD1-CE1 3.94Å; I87-F126 HydrophobicContact CG1-CE1 4.14Å; F126-V128 HydrophobicContact CD2-CG2 4.18Å; F126-V128 HydrophobicContact CE2-CG2 4.14Å; F126-F138 HydrophobicContact CD2-CD2 4.47Å; F126-F138 AromaticContact CD2-CE2 3.62Å; F126-F138 HydrophobicContact CD2-CE2 3.62Å; F126-F138 HydrophobicContact CD2-CZ 4.17Å; F126-F138 AromaticContact CE2-CE2 3.88Å; F126-F138 HydrophobicContact CE2-CE2 3.88Å; F126-Y139 WeakPolarHBondContact CB-O 3.46Å; F126-K152 HydrophobicContact CB-CD 4.37Å; F126-K152 HydrophobicContact CD1-CB 4.35Å; F126-K152 HydrophobicContact CD1-CD 3.54Å; F126-K152 HydrophobicContact CD1-CG 3.88Å; F126-K152 HydrophobicContact CD2-CB 4.33Å; F126-K152 HydrophobicContact CE1-CB 4.02Å; F126-K152 HydrophobicContact CE1-CD 3.85Å; F126-K152 HydrophobicContact CE1-CG 3.62Å; F126-K152 HydrophobicContact CE2-CB 4Å; F126-K152 HydrophobicContact CE2-CG 4.5Å; F126-K152 HydrophobicContact CG-CB 4.48Å; F126-K152 HydrophobicContact CG-CD 3.94Å; F126-K152 HydrophobicContact CG-CG 4.41Å; F126-K152 HydrophobicContact CZ-CB 3.82Å; F126-K152 HydrophobicContact CZ-CD 4.48Å; F126-K152 HydrophobicContact CZ-CG 3.94Å
127	L	93.8	Very high	89.6	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	138.3	-174.4	-49.5	174.1	0	0	0	110.9	V71 L82 I83 Q84 Y139 V280 V283 L287	V71-L127 HydrophobicContact CG2-CD2 4.16Å; L82-L127 HydrophobicContact CD1-CB 4.04Å; L82-L127 HydrophobicContact CD2-CD1 4.28Å; L82-L127 HydrophobicContact CG-CB 4.48Å; I83-L127 CarbonylContact O-C 3.57Å; I83-L127 VanDerWaalsContact O-CA 3.31Å; I83-L127 WeakPolarHBondContact O-CA 3.49Å; Q84-L127 HydrophobicContact CB-CD2 3.59Å; Q84-L127 HydrophobicContact CG-CD2 3.91Å; L127-Y139 HydrophobicContact CB-CD2 4.38Å; L127-Y139 PolarHBondContact N-O 3.46Å; L127-Y139 VanDerWaalsContact N-O 3.13Å; L127-Y139 PolarHBondContact O-N 3.31Å; L127-V280 HydrophobicContact CD1-CB 4.46Å; L127-V280 HydrophobicContact CD1-CG1 4.33Å; L127-V280 HydrophobicContact CD1-CG2 3.98Å; L127-V283 HydrophobicContact CD1-CB 4.4Å; L127-V283 HydrophobicContact CD1-CG1 4.27Å; L127-L287 HydrophobicContact CD1-CD1 3.75Å; L127-L287 HydrophobicContact CG-CD1 4.05Å
128	V	92.8	Very high	89.8	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.4	177.3	178.9	0	0	0	0	108.4	I83 L85 F126 L130 I135 F138 S156	I83-V128 HydrophobicContact CD1-CB 4.32Å; I83-V128 HydrophobicContact CG1-CB 3.92Å; I83-V128 WeakPolarHBondContact CG1-O 3.23Å; I83-V128 PolarHBondContact N-O 2.9Å; I83-V128 PolarHBondContact O-N 3.23Å; L85-V128 HydrophobicContact CD1-CB 4.1Å; L85-V128 HydrophobicContact CD1-CG2 3.65Å; F126-V128 HydrophobicContact CD2-CG2 4.18Å; F126-V128 HydrophobicContact CE2-CG2 4.14Å; V128-L130 HydrophobicContact CG1-CD2 4.03Å; V128-L130 HydrophobicContact CG1-CG 4.26Å; V128-I135 HydrophobicContact CG1-CG1 4.05Å; V128-I135 HydrophobicContact CG1-CG2 3.99Å; V128-F138 HydrophobicContact CG2-CD2 4.15Å; V128-S156 WeakPolarHBondContact CG2-OG 3.46Å
129	H	91.7	Very high	90	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.019	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	110.9	174.9	174.4	-158	0	0	0	109.4	D80 L82 I135 K136 A137 Y139 I276	D80-H129 IonicContact OD1-CD2 3.49Å; D80-H129 IonicContact OD1-CE1 2.69Å; D80-H129 IonicContact OD1-NE2 2.64Å; D80-H129 PolarHBondContact OD1-NE2 2.9Å; D80-H129 IonicContact OD2-NE2 3.52Å; L82-H129 HydrophobicContact CD1-CB 4.2Å; H129-I135 CarbonylContact O-C 3.55Å; H129-I135 WeakPolarHBondContact O-CA 3.37Å; H129-K136 PolarHBondContact O-N 2.87Å; H129-A137 HydrophobicContact CB-CB 4.01Å; H129-A137 PolarHBondContact N-O 2.95Å; H129-Y139 HydrophobicContact CB-CE2 4.07Å; H129-I276 WeakPolarHBondContact CE1-CD1 3.48Å; H129-I276 WeakPolarHBondContact NE2-CD1 3.22Å
130	L	89.1	Confident	90.1	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129	174.3	-63.2	176.5	0	0	0	109.8	Q81 I83 V128 K134 I135	Q81-L130 PolarHBondContact N-O 2.92Å; Q81-L130 PolarHBondContact O-N 2.92Å; I83-L130 HydrophobicContact CD1-CD1 3.77Å; I83-L130 HydrophobicContact CD1-CG 4.4Å; I83-L130 HydrophobicContact CG1-CD1 4.31Å; V128-L130 HydrophobicContact CG1-CD2 4.03Å; V128-L130 HydrophobicContact CG1-CG 4.26Å; L130-K134 CarbonylContact C-O 3.45Å; L130-K134 WeakPolarHBondContact CA-O 3.42Å; L130-I135 HydrophobicContact CD2-CG1 3.78Å
131	K	87.9	Confident	90.1	Very high	72 Å²	72	28.9 Å²	28.9	31%	0.313	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	121.7	168.8	-170.6	-178.5	-174	83.9	0	108.8	D79 D80 G133 K134 K136	D79-K131 CarbonylContact O-C 3.4Å; D79-K131 WeakPolarHBondContact O-CA 3.24Å; D80-K131 HydrophobicContact CB-CG 4.36Å; D80-K131 WeakPolarHBondContact OD2-CD 3.48Å; D80-K131 WeakPolarHBondContact OD2-CE 3.47Å; D80-K131 VanDerWaalsContact OD2-CG 3.29Å; D80-K131 WeakPolarHBondContact OD2-CG 3.33Å; D80-K131 IonicContact OD2-NZ 3.67Å; D80-K131 PolarHBondContact OD2-NZ 3.15Å; K131-G133 PolarHBondContact O-N 2.97Å; K131-K134 PolarHBondContact N-O 3.4Å; K131-K134 PolarHBondContact O-N 3.25Å; K131-K136 HydrophobicContact CB-CB 4.39Å; K131-K136 HydrophobicContact CB-CD 4.47Å; K131-K136 HydrophobicContact CD-CD 4.22Å
132	N	84.3	Confident	89.8	Confident	51 Å²	51	36.4 Å²	36.4	27%	0.273	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	41.6	-177.4	-55.8	14.6	0	0	0	112.1	A26 D79 K134	A26-N132 CarbonylContact O-C 3.58Å; D79-N132 PolarHBondContact O-N 3.27Å; N132-K134 VanDerWaalsContact C-N 3.25Å; N132-K134 PolarHBondContact O-N 3.11Å
133	G	79.8	Confident	89.6	Confident	4 Å²	4	41 Å²	41	4%	0.041	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	1.8	-177.7	0	0	0	0	0	116.7	K131 Q160	K131-G133 PolarHBondContact O-N 2.97Å; G133-Q160 WeakPolarHBondContact O-CA 3.49Å
134	K	87.2	Confident	89.4	Confident	48 Å²	48	38.7 Å²	38.7	21%	0.209	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	143.9	177.8	-47.1	-54.8	177.7	-175	0	111	L130 K131 N132 K136 Q160 E170	L130-K134 CarbonylContact C-O 3.45Å; L130-K134 WeakPolarHBondContact CA-O 3.42Å; K131-K134 PolarHBondContact N-O 3.4Å; K131-K134 PolarHBondContact O-N 3.25Å; N132-K134 VanDerWaalsContact C-N 3.25Å; N132-K134 PolarHBondContact O-N 3.11Å; K134-K136 PolarHBondContact O-N 2.69Å; K134-Q160 HydrophobicContact CD-CG 4.05Å; K134-E170 IonicContact NZ-OE1 2.71Å; K134-E170 PolarHBondContact NZ-OE1 2.82Å
135	I	88.6	Confident	89.2	Confident	13 Å²	13	37 Å²	37	7%	0.067	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	112.8	176.2	-56.6	165.2	0	0	0	108.4	V128 H129 L130 Q160 V292	V128-I135 HydrophobicContact CG1-CG1 4.05Å; V128-I135 HydrophobicContact CG1-CG2 3.99Å; H129-I135 CarbonylContact O-C 3.55Å; H129-I135 WeakPolarHBondContact O-CA 3.37Å; L130-I135 HydrophobicContact CD2-CG1 3.78Å; I135-Q160 HydrophobicContact CD1-CB 4.25Å; I135-Q160 HydrophobicContact CG1-CB 4.29Å; I135-V292 HydrophobicContact CB-CG1 4.49Å; I135-V292 HydrophobicContact CB-CG2 4.42Å; I135-V292 HydrophobicContact CG2-CG1 4.19Å; I135-V292 HydrophobicContact CG2-CG2 3.62Å
136	K	88.8	Confident	88.9	Confident	134 Å²	134	35.8 Å²	35.8	58%	0.583	18%	0.179	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	-32.8	175.3	175.9	169	162.7	-172.2	0	112.1	H129 K131 K134	H129-K136 PolarHBondContact O-N 2.87Å; K131-K136 HydrophobicContact CB-CB 4.39Å; K131-K136 HydrophobicContact CB-CD 4.47Å; K131-K136 HydrophobicContact CD-CD 4.22Å; K134-K136 PolarHBondContact O-N 2.69Å
137	A	89.4	Confident	88.6	Confident	16 Å²	16	36.2 Å²	36.2	13%	0.132	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	152.5	174.4	0	0	0	0	0	112.2	H129 Y139	H129-A137 HydrophobicContact CB-CB 4.01Å; H129-A137 PolarHBondContact N-O 2.95Å; A137-Y139 HydrophobicContact CB-CD2 4.37Å; A137-Y139 HydrophobicContact CB-CE2 3.6Å
138	F	91.3	Very high	88.4	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.009	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.9	176.4	173.9	-93.5	0	0	0	108.3	F126 V128 K152 R153 A289 V290 V292	F126-F138 HydrophobicContact CD2-CD2 4.47Å; F126-F138 AromaticContact CD2-CE2 3.62Å; F126-F138 HydrophobicContact CD2-CE2 3.62Å; F126-F138 HydrophobicContact CD2-CZ 4.17Å; F126-F138 AromaticContact CE2-CE2 3.88Å; F126-F138 HydrophobicContact CE2-CE2 3.88Å; V128-F138 HydrophobicContact CG2-CD2 4.15Å; F138-K152 HydrophobicContact CE2-CB 4.04Å; F138-K152 HydrophobicContact CZ-CB 3.71Å; F138-R153 HydrophobicContact CD1-CG 4.16Å; F138-R153 HydrophobicContact CD2-CG 4.3Å; F138-R153 HydrophobicContact CE1-CG 4.06Å; F138-R153 HydrophobicContact CE2-CG 4.2Å; F138-R153 HydrophobicContact CG-CG 4.29Å; F138-R153 HydrophobicContact CZ-CG 4.09Å; F138-A289 WeakPolarHBondContact O-CA 3.5Å; F138-V290 PolarHBondContact O-N 3.03Å; F138-V292 HydrophobicContact CB-CG2 4.45Å
139	Y	92.1	Very high	88.3	Confident	32 Å²	32	36.4 Å²	36.4	13%	0.125	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.7	-175.5	-59.8	-93.8	0	0	0	111.2	L82 F126 L127 H129 A137 I276 V280 A288 A289	L82-Y139 HydrophobicContact CD1-CD2 4.37Å; L82-Y139 HydrophobicContact CD1-CE2 4.27Å; F126-Y139 WeakPolarHBondContact CB-O 3.46Å; L127-Y139 HydrophobicContact CB-CD2 4.38Å; L127-Y139 PolarHBondContact N-O 3.46Å; L127-Y139 VanDerWaalsContact N-O 3.13Å; L127-Y139 PolarHBondContact O-N 3.31Å; H129-Y139 HydrophobicContact CB-CE2 4.07Å; A137-Y139 HydrophobicContact CB-CD2 4.37Å; A137-Y139 HydrophobicContact CB-CE2 3.6Å; Y139-I276 HydrophobicContact CE2-CG2 4.33Å; Y139-V280 HydrophobicContact CD1-CB 4.5Å; Y139-V280 HydrophobicContact CD1-CG1 3.81Å; Y139-V280 HydrophobicContact CD1-CG2 4.09Å; Y139-V280 HydrophobicContact CD2-CG2 4.27Å; Y139-V280 HydrophobicContact CE1-CG1 4.24Å; Y139-V280 HydrophobicContact CE1-CG2 4.01Å; Y139-V280 HydrophobicContact CE2-CG2 4.2Å; Y139-V280 HydrophobicContact CG-CG1 4.28Å; Y139-V280 HydrophobicContact CG-CG2 4.21Å; Y139-A288 CarbonylContact C-O 3.59Å; Y139-A288 VanDerWaalsContact CA-O 3.25Å; Y139-A288 WeakPolarHBondContact CA-O 3.44Å; Y139-A289 HydrophobicContact CD1-CB 3.97Å; Y139-A289 HydrophobicContact CE1-CB 3.79Å
140	S	92.3	Very high	88.3	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	-179.6	178.9	-156.8	0	0	0	0	110.8	E144 A288	S140-E144 PolarHBondContact OG-OE2 3.18Å; S140-A288 PolarHBondContact N-O 2.85Å; S140-A288 PolarHBondContact O-N 2.94Å; S140-A288 VanDerWaalsContact O-O 3.13Å
141	Y	90	Very high	88.4	Confident	24 Å²	24	36.7 Å²	36.7	9%	0.094	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	129.3	-178.3	-61.4	-83.3	0	0	0	110.9	K124 S143 E144 D284 K286 L287	K124-Y141 HydrophobicContact CB-CD2 4.42Å; K124-Y141 HydrophobicContact CB-CE2 4.15Å; K124-Y141 HydrophobicContact CD-CD2 3.91Å; K124-Y141 HydrophobicContact CD-CE2 3.9Å; K124-Y141 HydrophobicContact CG-CE2 4.23Å; Y141-S143 PolarHBondContact O-N 2.74Å; Y141-S143 VanDerWaalsContact O-N 3.14Å; Y141-E144 WeakPolarHBondContact CD2-OE1 3.26Å; Y141-E144 PolarHBondContact O-N 3.04Å; Y141-E144 VanDerWaalsContact O-N 3.11Å; Y141-D284 WeakPolarHBondContact CE1-OD2 3.46Å; Y141-D284 PolarHBondContact OH-OD2 2.75Å; Y141-K286 HydrophobicContact CD1-CB 3.86Å; Y141-K286 HydrophobicContact CE1-CB 3.85Å; Y141-L287 HydrophobicContact CD1-CD2 4.25Å; Y141-L287 HydrophobicContact CD2-CD2 3.94Å; Y141-L287 HydrophobicContact CE1-CD2 4.02Å; Y141-L287 HydrophobicContact CE1-CG 4.12Å; Y141-L287 HydrophobicContact CE2-CD2 3.68Å; Y141-L287 HydrophobicContact CG-CD2 4.22Å
142	W	83.8	Confident	88.7	Confident	167 Å²	167	33.2 Å²	33.2	63%	0.633	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-34.3	179.8	-82.9	117.6	0	0	0	114	E144 A288 V290	W142-E144 VanDerWaalsContact C-N 3.28Å; W142-E144 PolarHBondContact O-N 2.92Å; W142-A288 HydrophobicContact CG-CB 4.39Å; W142-A288 HydrophobicContact CZ2-CB 4.45Å; W142-V290 HydrophobicContact CE3-CG1 4.15Å; W142-V290 HydrophobicContact CH2-CG1 4.25Å; W142-V290 HydrophobicContact CZ3-CG1 3.8Å
143	S	85.8	Confident	89	Confident	107 Å²	107	31 Å²	31	75%	0.748	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	1.2	-178	52.5	0	0	0	0	115.1	Y141	Y141-S143 PolarHBondContact O-N 2.74Å; Y141-S143 VanDerWaalsContact O-N 3.14Å
144	E	88.5	Confident	89.6	Confident	8 Å²	8	30.8 Å²	30.8	4%	0.037	16%	0.155	C	C	.	.	S	Bend	trans	-76.1	144.6	173.1	-70.6	-176.1	-174.4	0	0	111.9	A121 S140 Y141 W142 K149 K152	A121-E144 HydrophobicContact CB-CB 4.48Å; A121-E144 HydrophobicContact CB-CG 3.9Å; S140-E144 PolarHBondContact OG-OE2 3.18Å; Y141-E144 WeakPolarHBondContact CD2-OE1 3.26Å; Y141-E144 PolarHBondContact O-N 3.04Å; Y141-E144 VanDerWaalsContact O-N 3.11Å; W142-E144 VanDerWaalsContact C-N 3.28Å; W142-E144 PolarHBondContact O-N 2.92Å; E144-K149 HydrophobicContact CB-CD 4.15Å; E144-K149 HydrophobicContact CB-CG 3.96Å; E144-K149 WeakPolarHBondContact O-CE 3.33Å; E144-K149 PolarHBondContact O-NZ 2.69Å; E144-K152 IonicContact OE1-NZ 3.3Å; E144-K152 PolarHBondContact OE1-NZ 3.37Å; E144-K152 WeakPolarHBondContact OE2-CE 3.45Å; E144-K152 IonicContact OE2-NZ 3.85Å; E144-K152 PolarHBondContact OE2-NZ 2.94Å
145	P	88.1	Confident	89.9	Confident	44 Å²	44	28.8 Å²	28.8	29%	0.286	15%	0.146	S	C	.	.			trans	-60.4	145.9	172.7	-21.3	32.4	0	0	0	112.1	T147 I148 K149	P145-T147 VanDerWaalsContact C-N 3.27Å; P145-T147 PolarHBondContact O-N 2.86Å; P145-I148 HydrophobicContact CB-CG1 4.21Å; P145-I148 HydrophobicContact CG-CG1 4.18Å; P145-I148 PolarHBondContact O-N 3.25Å; P145-K149 PolarHBondContact O-N 3.11Å; P145-K149 VanDerWaalsContact O-N 3.14Å
146	A	87.4	Confident	90	Very high	20 Å²	20	28.2 Å²	28.2	17%	0.165	14%	0.143	C	C	.	.	H	α-helix	trans	-55.2	-40.3	178.3	0	0	0	0	0	112.6	I148 K149 N150 E295 L297	A146-I148 VanDerWaalsContact C-N 3.32Å; A146-I148 PolarHBondContact O-N 2.96Å; A146-K149 PolarHBondContact O-N 2.69Å; A146-N150 WeakPolarHBondContact O-CB 3.45Å; A146-N150 PolarHBondContact O-N 2.85Å; A146-N150 PolarHBondContact O-OD1 2.78Å; A146-E295 HydrophobicContact CB-CB 3.75Å; A146-L297 HydrophobicContact CB-CD2 3.72Å; A146-L297 HydrophobicContact CB-CG 4.31Å
147	T	87.7	Confident	90.1	Very high	9 Å²	9	21.8 Å²	21.8	6%	0.055	12%	0.116	C	C	.	.	H	α-helix	trans	-56.7	-42.6	175.4	-58	0	0	0	0	112.6	P145 N150 L151 L297 M829 D830 F831	P145-T147 VanDerWaalsContact C-N 3.27Å; P145-T147 PolarHBondContact O-N 2.86Å; T147-N150 PolarHBondContact O-N 2.81Å; T147-L151 WeakPolarHBondContact O-CG 3.39Å; T147-L151 PolarHBondContact O-N 2.87Å; T147-L297 WeakPolarHBondContact OG1-CD2 3.45Å; T147-M829 HydrophobicContact CG2-CB 4.08Å; T147-M829 HydrophobicContact CG2-CE 4.27Å; T147-D830 WeakPolarHBondContact CB-OD2 3.33Å; T147-D830 PolarHBondContact OG1-OD2 2.82Å; T147-F831 HydrophobicContact CG2-CE1 4.31Å
148	I	90.8	Very high	90.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-70.4	-41.7	-179.8	-59.3	-52.8	0	0	0	110.9	L114 K118 A121 L122 P145 A146 N150 L151 K152	L114-I148 HydrophobicContact CD2-CD1 4.15Å; K118-I148 HydrophobicContact CB-CD1 4.31Å; K118-I148 HydrophobicContact CB-CG1 4.47Å; A121-I148 HydrophobicContact CB-CG1 4.4Å; A121-I148 HydrophobicContact CB-CG2 4.05Å; L122-I148 HydrophobicContact CB-CD1 4.36Å; L122-I148 HydrophobicContact CB-CG2 4.12Å; L122-I148 HydrophobicContact CD1-CG2 4.15Å; P145-I148 HydrophobicContact CB-CG1 4.21Å; P145-I148 HydrophobicContact CG-CG1 4.18Å; P145-I148 PolarHBondContact O-N 3.25Å; A146-I148 VanDerWaalsContact C-N 3.32Å; A146-I148 PolarHBondContact O-N 2.96Å; I148-N150 VanDerWaalsContact C-N 3.35Å; I148-N150 PolarHBondContact O-N 2.79Å; I148-L151 HydrophobicContact CD1-CD1 4.32Å; I148-L151 PolarHBondContact O-N 3.14Å; I148-K152 HydrophobicContact CG2-CD 4.5Å; I148-K152 WeakPolarHBondContact O-CG 3.39Å; I148-K152 PolarHBondContact O-N 2.82Å
149	K	90.8	Very high	90.1	Very high	6 Å²	6	21.5 Å²	21.5	3%	0.026	11%	0.112	C	C	.	.	H	α-helix	trans	-64.9	-37.6	174.3	-70.7	175.6	-69	-170.8	0	112	E144 P145 A146 K152 R153 V290 E295	E144-K149 HydrophobicContact CB-CD 4.15Å; E144-K149 HydrophobicContact CB-CG 3.96Å; E144-K149 WeakPolarHBondContact O-CE 3.33Å; E144-K149 PolarHBondContact O-NZ 2.69Å; P145-K149 PolarHBondContact O-N 3.11Å; P145-K149 VanDerWaalsContact O-N 3.14Å; A146-K149 PolarHBondContact O-N 2.69Å; K149-K152 PolarHBondContact O-N 3.44Å; K149-R153 VanDerWaalsContact O-CG 3.28Å; K149-R153 WeakPolarHBondContact O-CG 3.3Å; K149-R153 PolarHBondContact O-N 2.89Å; K149-V290 HydrophobicContact CD-CG1 4.19Å; K149-E295 WeakPolarHBondContact CD-OE1 3.3Å; K149-E295 WeakPolarHBondContact CE-OE1 2.95Å; K149-E295 VanDerWaalsContact CE-OE2 3.29Å; K149-E295 WeakPolarHBondContact CE-OE2 3.45Å; K149-E295 IonicContact NZ-OE1 3.66Å; K149-E295 PolarHBondContact NZ-OE1 3.08Å; K149-E295 IonicContact NZ-OE2 3.75Å; K149-E295 PolarHBondContact NZ-OE2 2.88Å
150	N	90.6	Very high	90	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-67.5	-39.1	176.7	-67.6	-4.5	0	0	0	111.9	A146 T147 I148 R153 G154 P294 E295 G781	A146-N150 WeakPolarHBondContact O-CB 3.45Å; A146-N150 PolarHBondContact O-N 2.85Å; A146-N150 PolarHBondContact O-OD1 2.78Å; T147-N150 PolarHBondContact O-N 2.81Å; I148-N150 VanDerWaalsContact C-N 3.35Å; I148-N150 PolarHBondContact O-N 2.79Å; N150-R153 WeakPolarHBondContact O-CB 3.39Å; N150-R153 PolarHBondContact O-N 2.85Å; N150-R153 PolarHBondContact OD1-NH1 2.64Å; N150-G154 PolarHBondContact O-N 3.03Å; N150-P294 WeakPolarHBondContact OD1-CA 3.29Å; N150-E295 PolarHBondContact ND2-O 2.88Å; N150-E295 PolarHBondContact OD1-N 2.84Å; N150-E295 VanDerWaalsContact OD1-N 3.12Å; N150-G781 WeakPolarHBondContact CB-O 3.11Å; N150-G781 WeakPolarHBondContact O-CA 3.38Å
151	L	91.2	Very high	89.7	Confident	13 Å²	13	20 Å²	20	7%	0.068	11%	0.106	C	C	.	.	H	α-helix	trans	-59.8	-46.1	169.8	-72.4	170.6	0	0	0	112.3	L122 T147 I148 R153 G154 I155 L782 M829	L122-L151 HydrophobicContact CD1-CD1 4.38Å; T147-L151 WeakPolarHBondContact O-CG 3.39Å; T147-L151 PolarHBondContact O-N 2.87Å; I148-L151 HydrophobicContact CD1-CD1 4.32Å; I148-L151 PolarHBondContact O-N 3.14Å; L151-R153 VanDerWaalsContact C-N 3.33Å; L151-R153 PolarHBondContact O-N 2.92Å; L151-G154 PolarHBondContact O-N 2.9Å; L151-G154 VanDerWaalsContact O-N 3.1Å; L151-I155 PolarHBondContact O-N 2.68Å; L151-I155 VanDerWaalsContact O-N 3.07Å; L151-L782 HydrophobicContact CD2-CD2 3.97Å; L151-M829 HydrophobicContact CD1-CE 3.72Å; L151-M829 HydrophobicContact CD2-CE 3.84Å; L151-M829 HydrophobicContact CG-CE 4.13Å
152	K	93.6	Very high	89.4	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.3	-39.4	175.7	-70.1	177.6	177.3	-176.4	0	111.9	I87 A121 L122 K124 F126 F138 E144 I148 K149 S156	I87-K152 HydrophobicContact CD1-CG 4.33Å; A121-K152 VanDerWaalsContact O-CE 3.27Å; A121-K152 WeakPolarHBondContact O-CE 3.3Å; A121-K152 PolarHBondContact O-NZ 2.98Å; L122-K152 WeakPolarHBondContact O-CE 3.27Å; K124-K152 PolarHBondContact O-NZ 3.27Å; F126-K152 HydrophobicContact CB-CD 4.37Å; F126-K152 HydrophobicContact CD1-CB 4.35Å; F126-K152 HydrophobicContact CD1-CD 3.54Å; F126-K152 HydrophobicContact CD1-CG 3.88Å; F126-K152 HydrophobicContact CD2-CB 4.33Å; F126-K152 HydrophobicContact CE1-CB 4.02Å; F126-K152 HydrophobicContact CE1-CD 3.85Å; F126-K152 HydrophobicContact CE1-CG 3.62Å; F126-K152 HydrophobicContact CE2-CB 4Å; F126-K152 HydrophobicContact CE2-CG 4.5Å; F126-K152 HydrophobicContact CG-CB 4.48Å; F126-K152 HydrophobicContact CG-CD 3.94Å; F126-K152 HydrophobicContact CG-CG 4.41Å; F126-K152 HydrophobicContact CZ-CB 3.82Å; F126-K152 HydrophobicContact CZ-CD 4.48Å; F126-K152 HydrophobicContact CZ-CG 3.94Å; F138-K152 HydrophobicContact CE2-CB 4.04Å; F138-K152 HydrophobicContact CZ-CB 3.71Å; E144-K152 IonicContact OE1-NZ 3.3Å; E144-K152 PolarHBondContact OE1-NZ 3.37Å; E144-K152 WeakPolarHBondContact OE2-CE 3.45Å; E144-K152 IonicContact OE2-NZ 3.85Å; E144-K152 PolarHBondContact OE2-NZ 2.94Å; I148-K152 HydrophobicContact CG2-CD 4.5Å; I148-K152 WeakPolarHBondContact O-CG 3.39Å; I148-K152 PolarHBondContact O-N 2.82Å; K149-K152 PolarHBondContact O-N 3.44Å; K152-S156 WeakPolarHBondContact O-CB 3.48Å; K152-S156 PolarHBondContact O-N 2.98Å; K152-S156 PolarHBondContact O-OG 3.27Å
153	R	92.1	Very high	89.3	Confident	3 Å²	3	14.4 Å²	14.4	1%	0.011	9%	0.089	C	C	.	.	H	α-helix	trans	-62.4	-39.3	171.1	-71.7	167.4	177.8	121.1	2	111.9	F138 K149 N150 L151 S156 S157 V173 V290 G291 V292 V293 E295	F138-R153 HydrophobicContact CD1-CG 4.16Å; F138-R153 HydrophobicContact CD2-CG 4.3Å; F138-R153 HydrophobicContact CE1-CG 4.06Å; F138-R153 HydrophobicContact CE2-CG 4.2Å; F138-R153 HydrophobicContact CG-CG 4.29Å; F138-R153 HydrophobicContact CZ-CG 4.09Å; K149-R153 VanDerWaalsContact O-CG 3.28Å; K149-R153 WeakPolarHBondContact O-CG 3.3Å; K149-R153 PolarHBondContact O-N 2.89Å; N150-R153 WeakPolarHBondContact O-CB 3.39Å; N150-R153 PolarHBondContact O-N 2.85Å; N150-R153 PolarHBondContact OD1-NH1 2.64Å; L151-R153 VanDerWaalsContact C-N 3.33Å; L151-R153 PolarHBondContact O-N 2.92Å; R153-S156 WeakPolarHBondContact O-CB 3.43Å; R153-S156 PolarHBondContact O-N 3.29Å; R153-S157 WeakPolarHBondContact O-CB 3.45Å; R153-S157 PolarHBondContact O-N 2.91Å; R153-S157 PolarHBondContact O-OG 2.88Å; R153-V173 HydrophobicContact CB-CB 4.15Å; R153-V173 HydrophobicContact CB-CG2 3.87Å; R153-V290 PolarHBondContact NH2-O 2.91Å; R153-G291 PolarHBondContact NE-O 3.38Å; R153-G291 PolarHBondContact NH2-O 2.95Å; R153-V292 WeakPolarHBondContact CD-O 3.45Å; R153-V293 PolarHBondContact NE-O 2.59Å; R153-E295 IonicContact CZ-OE1 3.36Å; R153-E295 VanDerWaalsContact CZ-OE1 3.29Å; R153-E295 IonicContact NH1-OE1 2.93Å; R153-E295 PolarHBondContact NH1-OE1 2.94Å; R153-E295 IonicContact NH2-OE1 2.77Å; R153-E295 PolarHBondContact NH2-OE1 3.16Å
154	G	91.8	Very high	89.2	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-63.3	-44.1	177.3	0	0	0	0	0	113.9	N150 L151 S157 Q257 Q779	N150-G154 PolarHBondContact O-N 3.03Å; L151-G154 PolarHBondContact O-N 2.9Å; L151-G154 VanDerWaalsContact O-N 3.1Å; G154-S157 PolarHBondContact O-N 2.83Å; G154-Q257 PolarHBondContact O-NE2 2.04Å; G154-Q779 VanDerWaalsContact CA-O 3.25Å; G154-Q779 WeakPolarHBondContact CA-O 3.24Å
155	I	93.2	Very high	89.2	Confident	6 Å²	6	17.7 Å²	17.7	3%	0.031	10%	0.099	C	C	.	.	H	α-helix	trans	-63.2	-46.5	171.7	-65.7	164.6	0	0	0	110.4	Y41 V66 L85 I87 L151 S157 L158	Y41-I155 HydrophobicContact CD1-CD1 3.9Å; Y41-I155 HydrophobicContact CD1-CG1 3.88Å; Y41-I155 HydrophobicContact CD2-CG1 4.32Å; Y41-I155 HydrophobicContact CE1-CD1 3.79Å; Y41-I155 HydrophobicContact CE1-CG1 3.48Å; Y41-I155 VanDerWaalsContact CE1-CG1 3.48Å; Y41-I155 HydrophobicContact CE2-CG1 3.95Å; Y41-I155 HydrophobicContact CG-CG1 4.27Å; V66-I155 HydrophobicContact CG1-CG2 4.46Å; L85-I155 HydrophobicContact CD2-CG2 4.03Å; I87-I155 HydrophobicContact CD1-CD1 3.58Å; I87-I155 HydrophobicContact CG1-CD1 4.4Å; L151-I155 PolarHBondContact O-N 2.68Å; L151-I155 VanDerWaalsContact O-N 3.07Å; I155-S157 PolarHBondContact O-N 2.74Å; I155-L158 WeakPolarHBondContact O-CB 3.47Å; I155-L158 PolarHBondContact O-N 2.9Å; I155-L158 VanDerWaalsContact O-N 3.11Å
156	S	92	Very high	89.3	Confident	1 Å²	1	17 Å²	17	1%	0.007	10%	0.099	C	C	.	.	H	α-helix	trans	-56.7	-38.4	178.7	-54.5	0	0	0	0	112.2	V128 K152 R153 L158 L159	V128-S156 WeakPolarHBondContact CG2-OG 3.46Å; K152-S156 WeakPolarHBondContact O-CB 3.48Å; K152-S156 PolarHBondContact O-N 2.98Å; K152-S156 PolarHBondContact O-OG 3.27Å; R153-S156 WeakPolarHBondContact O-CB 3.43Å; R153-S156 PolarHBondContact O-N 3.29Å; S156-L158 PolarHBondContact O-N 2.82Å; S156-L158 VanDerWaalsContact O-N 3.15Å; S156-L159 WeakPolarHBondContact O-CB 3.43Å; S156-L159 PolarHBondContact O-N 3.13Å
157	S	90.9	Very high	89.5	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-11	-178.5	-56.9	0	0	0	0	113.9	R153 G154 I155 V173 R190	R153-S157 WeakPolarHBondContact O-CB 3.45Å; R153-S157 PolarHBondContact O-N 2.91Å; R153-S157 PolarHBondContact O-OG 2.88Å; G154-S157 PolarHBondContact O-N 2.83Å; I155-S157 PolarHBondContact O-N 2.74Å; S157-V173 PolarHBondContact OG-N 3.09Å; S157-R190 PolarHBondContact O-NH1 2.93Å; S157-R190 PolarHBondContact O-NH2 3.39Å
158	L	91.1	Very high	89.6	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-16.9	169.5	-63.3	178.6	0	0	0	113.3	Y41 I155 S156 Q160 T221 F223 A235 Q257 L259	Y41-L158 HydrophobicContact CD2-CD1 4.33Å; Y41-L158 HydrophobicContact CE2-CD1 3.77Å; I155-L158 WeakPolarHBondContact O-CB 3.47Å; I155-L158 PolarHBondContact O-N 2.9Å; I155-L158 VanDerWaalsContact O-N 3.11Å; S156-L158 PolarHBondContact O-N 2.82Å; S156-L158 VanDerWaalsContact O-N 3.15Å; L158-Q160 VanDerWaalsContact C-N 3.3Å; L158-T221 HydrophobicContact CD2-CG2 4.03Å; L158-F223 VanDerWaalsContact O-CE1 3.23Å; L158-F223 WeakPolarHBondContact O-CE1 3.4Å; L158-A235 HydrophobicContact CD2-CB 4.09Å; L158-Q257 HydrophobicContact CD1-CB 3.94Å; L158-L259 HydrophobicContact CB-CD2 4.35Å; L158-L259 HydrophobicContact CD1-CB 4.05Å
159	L	89.1	Confident	89.6	Confident	11 Å²	11	28.3 Å²	28.3	6%	0.058	16%	0.155	C	C	.	.	S	Bend	trans	-84.9	-8.7	175.5	-54.8	180	0	0	0	112.4	P29 I68 I83 L85 S156 F161 I230 L259	P29-L159 WeakPolarHBondContact CG-O 3.4Å; I68-L159 HydrophobicContact CD1-CD1 3.96Å; I68-L159 HydrophobicContact CD1-CD2 4.04Å; I83-L159 HydrophobicContact CD1-CD1 3.57Å; L85-L159 HydrophobicContact CD1-CD1 4.41Å; L85-L159 HydrophobicContact CD2-CD1 3.97Å; S156-L159 WeakPolarHBondContact O-CB 3.43Å; S156-L159 PolarHBondContact O-N 3.13Å; L159-F161 PolarHBondContact O-N 3.34Å; L159-I230 HydrophobicContact CD2-CD1 4.08Å; L159-L259 HydrophobicContact CD2-CD2 3.99Å
160	Q	88.8	Confident	89.5	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.009	16%	0.155	C	C	.	.			trans	-87.7	102	176.7	-179.7	161.3	-70.9	0	0	111.2	G133 K134 I135 L158 E170 N171 Y181 R190	G133-Q160 WeakPolarHBondContact O-CA 3.49Å; K134-Q160 HydrophobicContact CD-CG 4.05Å; I135-Q160 HydrophobicContact CD1-CB 4.25Å; I135-Q160 HydrophobicContact CG1-CB 4.29Å; L158-Q160 VanDerWaalsContact C-N 3.3Å; Q160-E170 PolarHBondContact NE2-OE2 3.45Å; Q160-N171 PolarHBondContact NE2-O 2.97Å; Q160-Y181 PolarHBondContact O-OH 2.79Å; Q160-R190 PolarHBondContact O-NH1 3.02Å
161	F	86.1	Confident	89.3	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.176	C	C	.	.			trans	-145.6	175.3	170.9	73.9	-83.8	0	0	0	111.6	P29 L159 I163 Y181 F223 L225 I230	P29-F161 HydrophobicContact CB-CE1 3.58Å; P29-F161 HydrophobicContact CB-CZ 3.86Å; P29-F161 VanDerWaalsContact CD-CE1 3.48Å; P29-F161 HydrophobicContact CG-CD1 4.02Å; P29-F161 HydrophobicContact CG-CE1 3.46Å; P29-F161 VanDerWaalsContact CG-CE1 3.46Å; P29-F161 HydrophobicContact CG-CZ 4.09Å; L159-F161 PolarHBondContact O-N 3.34Å; F161-I163 HydrophobicContact CE2-CG1 4Å; F161-Y181 HydrophobicContact CB-CE1 4.02Å; F161-F223 HydrophobicContact CB-CD2 3.99Å; F161-F223 HydrophobicContact CB-CE1 4.4Å; F161-F223 HydrophobicContact CB-CE2 3.67Å; F161-F223 HydrophobicContact CB-CG 4.47Å; F161-F223 HydrophobicContact CB-CZ 3.9Å; F161-F223 HydrophobicContact CG-CD2 4.49Å; F161-L225 HydrophobicContact CE2-CD1 4.08Å; F161-L225 HydrophobicContact CE2-CD2 3.87Å; F161-L225 HydrophobicContact CZ-CD2 3.84Å; F161-I230 HydrophobicContact CD1-CD1 4.02Å; F161-I230 HydrophobicContact CD1-CG1 4.22Å; F161-I230 HydrophobicContact CE1-CD1 3.64Å; F161-I230 HydrophobicContact CE1-CG1 3.45Å; F161-I230 VanDerWaalsContact CE1-CG1 3.45Å; F161-I230 HydrophobicContact CZ-CG1 4.02Å
162	Q	84.8	Confident	89	Confident	11 Å²	11	31.8 Å²	31.8	5%	0.051	17%	0.173	C	C	.	.			trans	-136.9	149.8	170.5	62.4	-172	48.9	0	0	109.5	H164 Y181	Q162-H164 VanDerWaalsContact C-N 3.33Å; Q162-H164 PolarHBondContact NE2-O 2.85Å; Q162-Y181 VanDerWaalsContact CD-CD2 3.43Å; Q162-Y181 HydrophobicContact CG-CD1 3.69Å; Q162-Y181 HydrophobicContact CG-CD2 3.58Å; Q162-Y181 HydrophobicContact CG-CE1 3.95Å; Q162-Y181 HydrophobicContact CG-CE2 3.85Å; Q162-Y181 HydrophobicContact CG-CG 3.49Å; Q162-Y181 VanDerWaalsContact CG-CG 3.49Å
163	I	81.8	Confident	88.7	Confident	61 Å²	61	31.8 Å²	31.8	31%	0.313	17%	0.173	S	C	.	.	S	Bend	trans	-82.3	-13.4	-177.4	-60.3	167.3	0	0	0	111.9	F161 A183	F161-I163 HydrophobicContact CE2-CG1 4Å; I163-A183 WeakPolarHBondContact O-CB 3.49Å
164	H	82.7	Confident	88.4	Confident	91 Å²	91	31.8 Å²	31.8	42%	0.421	17%	0.174	S	C	.	.	S	Bend	trans	-101.9	135.4	-175.9	-52.3	-63.2	0	0	0	113.3	Q162	Q162-H164 VanDerWaalsContact C-N 3.33Å; Q162-H164 PolarHBondContact NE2-O 2.85Å
165	T	88.6	Confident	88.1	Confident	94 Å²	94	31.9 Å²	31.9	58%	0.577	18%	0.175	S	C	*	.			trans	-58.2	133.7	169.6	-63.1	0	0	0	0	111.1	Y181 A183	T165-Y181 WeakPolarHBondContact CA-O 3.44Å; T165-Y181 WeakPolarHBondContact CG2-O 3.41Å; T165-A183 PolarHBondContact OG1-N 3.19Å
166	G	90.5	Very high	87.9	Confident	28 Å²	28	39 Å²	39	29%	0.289	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	162.6	169.6	179.1	0	0	0	0	0	113.7	Y181	G166-Y181 PolarHBondContact N-O 2.81Å; G166-Y181 PolarHBondContact O-N 3.36Å
167	K	91.4	Very high	87.8	Confident	140 Å²	140	39 Å²	39	61%	0.609	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	132.1	171.1	-71.7	-176.9	175.2	-179.1	0	109.9	V179 Q180	K167-V179 WeakPolarHBondContact CA-O 3.43Å; K167-Q180 HydrophobicContact CG-CB 4.08Å; K167-Q180 HydrophobicContact CG-CG 4.12Å
168	V	91	Very high	87.9	Confident	44 Å²	44	40.8 Å²	40.8	27%	0.267	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	158.1	179	-68.9	0	0	0	0	110.3	E170 V179 Y181	V168-E170 HydrophobicContact CG2-CG 3.99Å; V168-V179 HydrophobicContact CG2-CB 4.4Å; V168-V179 PolarHBondContact N-O 3.35Å; V168-V179 PolarHBondContact O-N 2.71Å; V168-Y181 HydrophobicContact CG2-CD2 3.9Å; V168-Y181 HydrophobicContact CG2-CE2 3.66Å
169	V	89.8	Confident	88	Confident	84 Å²	84	40.8 Å²	40.8	51%	0.509	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.7	169.9	178.5	0	0	0	0	108.2	R176 C177	V169-R176 HydrophobicContact CG1-CG 3.8Å; V169-C177 WeakPolarHBondContact CA-O 3.33Å
170	E	88.1	Confident	88.2	Confident	8 Å²	8	44 Å²	44	4%	0.037	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	153	-177.7	-66.2	-164.9	171.7	0	0	111.3	K134 Q160 V168 R176 C177 V179 Y181	K134-E170 IonicContact NZ-OE1 2.71Å; K134-E170 PolarHBondContact NZ-OE1 2.82Å; Q160-E170 PolarHBondContact NE2-OE2 3.45Å; V168-E170 HydrophobicContact CG2-CG 3.99Å; E170-R176 CarbonylContact O-C 3.6Å; E170-R176 WeakPolarHBondContact O-CA 3.44Å; E170-C177 PolarHBondContact N-O 2.89Å; E170-C177 PolarHBondContact O-N 3.1Å; E170-V179 HydrophobicContact CB-CG2 3.92Å; E170-V179 HydrophobicContact CG-CB 4.36Å; E170-V179 HydrophobicContact CG-CG2 3.97Å; E170-Y181 VanDerWaalsContact CD-OH 3.31Å; E170-Y181 WeakPolarHBondContact OE1-CE2 3.4Å; E170-Y181 VanDerWaalsContact OE1-CZ 3.3Å; E170-Y181 PolarHBondContact OE1-OH 3.07Å; E170-Y181 PolarHBondContact OE2-OH 3.31Å
171	N	87.9	Confident	88.4	Confident	81 Å²	81	43.9 Å²	43.9	43%	0.433	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125	163.8	-54.2	-51.8	0	0	0	107	Q160 G175 R176	Q160-N171 PolarHBondContact NE2-O 2.97Å; N171-G175 WeakPolarHBondContact CA-O 3.18Å; N171-R176 WeakPolarHBondContact OD1-CB 3.07Å; N171-R176 VanDerWaalsContact OD1-CG 3.26Å; N171-R176 WeakPolarHBondContact OD1-CG 3.05Å
172	D	85.1	Confident	88.7	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.011	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	-162.8	168.7	83.5	-2.7	0	0	0	110.6	S174 G175 K192	D172-S174 PolarHBondContact O-N 3.2Å; D172-S174 WeakPolarHBondContact OD1-CB 3.16Å; D172-S174 PolarHBondContact OD1-N 3.3Å; D172-G175 PolarHBondContact N-O 3.05Å; D172-G175 PolarHBondContact O-N 2.87Å; D172-K192 IonicContact OD1-NZ 3.69Å; D172-K192 PolarHBondContact OD1-NZ 2.83Å; D172-K192 WeakPolarHBondContact OD2-CE 3.47Å; D172-K192 IonicContact OD2-NZ 2.63Å; D172-K192 PolarHBondContact OD2-NZ 3.03Å
173	V	86.4	Confident	88.9	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-23.5	179.5	75.4	0	0	0	0	113.4	R153 S157 G175 P294 Q777 Q779	R153-V173 HydrophobicContact CB-CB 4.15Å; R153-V173 HydrophobicContact CB-CG2 3.87Å; S157-V173 PolarHBondContact OG-N 3.09Å; V173-G175 PolarHBondContact O-N 3.33Å; V173-P294 VanDerWaalsContact O-CD 3.31Å; V173-P294 WeakPolarHBondContact O-CD 3.44Å; V173-Q777 HydrophobicContact CG2-CG 4.44Å; V173-Q777 WeakPolarHBondContact O-CG 2.99Å; V173-Q779 WeakPolarHBondContact CG1-O 2.97Å
174	S	85.6	Confident	89.1	Confident	4 Å²	4	50.7 Å²	50.7	3%	0.028	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	3.6	173.6	-55.8	0	0	0	0	113.6	D172 K192 T199	D172-S174 PolarHBondContact O-N 3.2Å; D172-S174 WeakPolarHBondContact OD1-CB 3.16Å; D172-S174 PolarHBondContact OD1-N 3.3Å; S174-K192 PolarHBondContact OG-NZ 2.7Å; S174-T199 WeakPolarHBondContact O-CG2 3.36Å
175	G	86.1	Confident	89.2	Confident	2 Å²	2	56.1 Å²	56.1	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	91.7	-150.8	-175.6	0	0	0	0	0	112.6	N171 D172 V173	N171-G175 WeakPolarHBondContact CA-O 3.18Å; D172-G175 PolarHBondContact N-O 3.05Å; D172-G175 PolarHBondContact O-N 2.87Å; V173-G175 PolarHBondContact O-N 3.33Å
176	R	88.7	Confident	88.9	Confident	154 Å²	154	53.7 Å²	53.7	58%	0.581	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	104.3	179.4	-177.8	170.9	178.3	-170.5	-0.7	110.7	V169 E170 N171 C197 K198	V169-R176 HydrophobicContact CG1-CG 3.8Å; E170-R176 CarbonylContact O-C 3.6Å; E170-R176 WeakPolarHBondContact O-CA 3.44Å; N171-R176 WeakPolarHBondContact OD1-CB 3.07Å; N171-R176 VanDerWaalsContact OD1-CG 3.26Å; N171-R176 WeakPolarHBondContact OD1-CG 3.05Å; R176-C197 CarbonylContact O-C 3.56Å; R176-C197 WeakPolarHBondContact O-CA 3.34Å; R176-K198 PolarHBondContact N-O 3.49Å; R176-K198 VanDerWaalsContact N-O 3.13Å; R176-K198 PolarHBondContact O-N 3.41Å
177	C	89.9	Confident	88.9	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.014	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	154.2	-170.2	-57.4	0	0	0	0	112.7	V169 E170 V179 C197	V169-C177 WeakPolarHBondContact CA-O 3.33Å; E170-C177 PolarHBondContact N-O 2.89Å; E170-C177 PolarHBondContact O-N 3.1Å; C177-V179 HydrophobicContact CB-CG2 4.47Å; C177-C197 HydrophobicContact CB-CB 4.17Å; C177-C197 WeakPolarHBondContact CB-SG 3.33Å; C177-C197 WeakPolarHBondContact SG-CB 3.45Å; C177-C197 CovalentContact SG-SG 2.04Å; C177-C197 PolarHBondContact SG-SG 2.83Å
178	T	92.6	Very high	88.9	Confident	37 Å²	37	49.3 Å²	49.3	23%	0.227	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	131.1	164	-47.2	0	0	0	0	109.7	I193 T196	T178-I193 HydrophobicContact CG2-CD1 4.25Å; T178-I193 PolarHBondContact O-N 3.25Å; T178-T196 WeakPolarHBondContact CB-OG1 3.37Å; T178-T196 PolarHBondContact N-OG1 3.39Å; T178-T196 WeakPolarHBondContact OG1-CB 3.28Å; T178-T196 PolarHBondContact OG1-OG1 3.03Å
179	V	92.4	Very high	89.1	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.5	-174.2	-172	0	0	0	0	109.4	K167 V168 E170 C177 Y181 R190 K192	K167-V179 WeakPolarHBondContact CA-O 3.43Å; V168-V179 HydrophobicContact CG2-CB 4.4Å; V168-V179 PolarHBondContact N-O 3.35Å; V168-V179 PolarHBondContact O-N 2.71Å; E170-V179 HydrophobicContact CB-CG2 3.92Å; E170-V179 HydrophobicContact CG-CB 4.36Å; E170-V179 HydrophobicContact CG-CG2 3.97Å; C177-V179 HydrophobicContact CB-CG2 4.47Å; V179-Y181 HydrophobicContact CB-CE2 4.16Å; V179-Y181 HydrophobicContact CG1-CD2 4.04Å; V179-Y181 HydrophobicContact CG1-CE2 3.53Å; V179-R190 HydrophobicContact CG1-CG 3.36Å; V179-K192 HydrophobicContact CG2-CG 4.31Å
180	Q	94.1	Very high	89.3	Confident	77 Å²	77	44.9 Å²	44.9	36%	0.36	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	123.8	173.5	-179.1	170.5	-32.5	0	0	109.7	K167 T191	K167-Q180 HydrophobicContact CG-CB 4.08Å; K167-Q180 HydrophobicContact CG-CG 4.12Å; Q180-T191 PolarHBondContact N-O 2.9Å; Q180-T191 PolarHBondContact O-N 3.09Å
181	Y	92.4	Very high	89.6	Confident	1 Å²	1	47.1 Å²	47.1	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	138.5	171.4	-71	-94	0	0	0	110.3	Q160 F161 Q162 T165 G166 V168 E170 V179 V188 T189 R190	Q160-Y181 PolarHBondContact O-OH 2.79Å; F161-Y181 HydrophobicContact CB-CE1 4.02Å; Q162-Y181 VanDerWaalsContact CD-CD2 3.43Å; Q162-Y181 HydrophobicContact CG-CD1 3.69Å; Q162-Y181 HydrophobicContact CG-CD2 3.58Å; Q162-Y181 HydrophobicContact CG-CE1 3.95Å; Q162-Y181 HydrophobicContact CG-CE2 3.85Å; Q162-Y181 HydrophobicContact CG-CG 3.49Å; Q162-Y181 VanDerWaalsContact CG-CG 3.49Å; T165-Y181 WeakPolarHBondContact CA-O 3.44Å; T165-Y181 WeakPolarHBondContact CG2-O 3.41Å; G166-Y181 PolarHBondContact N-O 2.81Å; G166-Y181 PolarHBondContact O-N 3.36Å; V168-Y181 HydrophobicContact CG2-CD2 3.9Å; V168-Y181 HydrophobicContact CG2-CE2 3.66Å; E170-Y181 VanDerWaalsContact CD-OH 3.31Å; E170-Y181 WeakPolarHBondContact OE1-CE2 3.4Å; E170-Y181 VanDerWaalsContact OE1-CZ 3.3Å; E170-Y181 PolarHBondContact OE1-OH 3.07Å; E170-Y181 PolarHBondContact OE2-OH 3.31Å; V179-Y181 HydrophobicContact CB-CE2 4.16Å; V179-Y181 HydrophobicContact CG1-CD2 4.04Å; V179-Y181 HydrophobicContact CG1-CE2 3.53Å; Y181-V188 HydrophobicContact CD1-CG1 3.77Å; Y181-T189 CarbonylContact C-O 3.59Å; Y181-T189 WeakPolarHBondContact CA-O 3.46Å; Y181-R190 HydrophobicContact CD1-CB 3.93Å; Y181-R190 HydrophobicContact CD1-CG 4.12Å; Y181-R190 HydrophobicContact CE1-CB 3.67Å; Y181-R190 HydrophobicContact CE1-CG 3.54Å; Y181-R190 HydrophobicContact CE2-CG 4.22Å; Y181-R190 WeakPolarHBondContact OH-CD 3.41Å
182	Q	93.1	Very high	89.8	Confident	109 Å²	109	43.6 Å²	43.6	51%	0.509	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	111.8	170.1	-177.9	173.9	-0.4	0	0	108.1	T189	Q182-T189 PolarHBondContact N-O 3.25Å; Q182-T189 PolarHBondContact O-N 3.14Å
183	A	88.6	Confident	90.1	Very high	32 Å²	32	46.1 Å²	46.1	26%	0.264	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	136.3	178.5	0	0	0	0	0	111	I163 T165 V188	I163-A183 WeakPolarHBondContact O-CB 3.49Å; T165-A183 PolarHBondContact OG1-N 3.19Å; A183-V188 HydrophobicContact CB-CG2 4.09Å
184	T	86.6	Confident	90.1	Very high	74 Å²	74	47.1 Å²	47.1	45%	0.454	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	173.7	171.4	51.1	0	0	0	0	108.7	G186 Q187	T184-G186 PolarHBondContact O-N 2.7Å; T184-Q187 CarbonylContact C-O 3.58Å; T184-Q187 PolarHBondContact N-O 2.9Å; T184-Q187 PolarHBondContact O-N 3.31Å; T184-Q187 PolarHBondContact OG1-O 3.05Å
185	Q	83.8	Confident	89.9	Confident	204 Å²	204	54.6 Å²	54.6	95%	0.953	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	112.9	-176.9	-171.5	173.2	-1.4	0	0	111	Q187	Q185-Q187 VanDerWaalsContact C-N 3.31Å; Q185-Q187 PolarHBondContact O-N 3.01Å
186	G	82.6	Confident	89.9	Confident	44 Å²	44	57.1 Å²	57.1	45%	0.454	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	4.1	-178.5	0	0	0	0	0	115.6	T184 L225	T184-G186 PolarHBondContact O-N 2.7Å; G186-L225 PolarHBondContact O-N 3.03Å
187	Q	90.9	Very high	89.7	Confident	73 Å²	73	51 Å²	51	34%	0.341	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	143.7	-175.9	-179.2	-177.5	41.1	0	0	111.8	T184 Q185 V222 F223	T184-Q187 CarbonylContact C-O 3.58Å; T184-Q187 PolarHBondContact N-O 2.9Å; T184-Q187 PolarHBondContact O-N 3.31Å; T184-Q187 PolarHBondContact OG1-O 3.05Å; Q185-Q187 VanDerWaalsContact C-N 3.31Å; Q185-Q187 PolarHBondContact O-N 3.01Å; Q187-V222 HydrophobicContact CG-CG1 4.09Å; Q187-F223 CarbonylContact C-O 3.58Å; Q187-F223 VanDerWaalsContact CA-O 3.28Å; Q187-F223 WeakPolarHBondContact CA-O 3.25Å
188	V	92.1	Very high	89.1	Confident	3 Å²	3	58.8 Å²	58.8	2%	0.018	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	123.5	173	179	0	0	0	0	109.4	Y181 A183 F223 L225	Y181-V188 HydrophobicContact CD1-CG1 3.77Å; A183-V188 HydrophobicContact CB-CG2 4.09Å; V188-F223 HydrophobicContact CB-CB 4.3Å; V188-F223 HydrophobicContact CB-CD2 4.4Å; V188-F223 HydrophobicContact CG1-CD2 4.46Å; V188-F223 PolarHBondContact N-O 2.96Å; V188-F223 WeakPolarHBondContact O-CD2 3.32Å; V188-F223 PolarHBondContact O-N 3.37Å; V188-L225 HydrophobicContact CG2-CD1 3.85Å
189	T	93.6	Very high	87.9	Confident	35 Å²	35	60.4 Å²	60.4	22%	0.215	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127.6	172.8	-59.2	0	0	0	0	109.6	Y181 Q182 V220	Y181-T189 CarbonylContact C-O 3.59Å; Y181-T189 WeakPolarHBondContact CA-O 3.46Å; Q182-T189 PolarHBondContact N-O 3.25Å; Q182-T189 PolarHBondContact O-N 3.14Å; T189-V220 HydrophobicContact CG2-CG1 3.79Å
190	R	94	Very high	86.3	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	111	178.2	179.1	-175.3	74	172.4	5.7	109.3	S157 Q160 V179 Y181 V220 T221 F223	S157-R190 PolarHBondContact O-NH1 2.93Å; S157-R190 PolarHBondContact O-NH2 3.39Å; Q160-R190 PolarHBondContact O-NH1 3.02Å; V179-R190 HydrophobicContact CG1-CG 3.36Å; Y181-R190 HydrophobicContact CD1-CB 3.93Å; Y181-R190 HydrophobicContact CD1-CG 4.12Å; Y181-R190 HydrophobicContact CE1-CB 3.67Å; Y181-R190 HydrophobicContact CE1-CG 3.54Å; Y181-R190 HydrophobicContact CE2-CG 4.22Å; Y181-R190 WeakPolarHBondContact OH-CD 3.41Å; R190-V220 CarbonylContact O-C 3.59Å; R190-V220 WeakPolarHBondContact O-CA 3.27Å; R190-T221 PolarHBondContact N-O 3.25Å; R190-T221 PolarHBondContact NE-OG1 2.94Å; R190-T221 PolarHBondContact NH2-OG1 2.73Å; R190-T221 PolarHBondContact O-N 3.06Å; R190-F223 HydrophobicContact CB-CD2 4.44Å; R190-F223 HydrophobicContact CB-CE2 3.77Å
191	T	94.5	Very high	84.8	Confident	55 Å²	55	61.7 Å²	61.7	34%	0.337	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	122.4	177.4	-56.8	0	0	0	0	109.8	Q180 V220	Q180-T191 PolarHBondContact N-O 2.9Å; Q180-T191 PolarHBondContact O-N 3.09Å; T191-V220 HydrophobicContact CG2-CG2 4.37Å
192	K	92.7	Very high	83.4	Confident	6 Å²	6	67.6 Å²	67.6	3%	0.026	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	132.7	173.3	-63.6	-175.4	175.1	177.3	0	110.4	D172 S174 V179 L194 S219 Q779	D172-K192 IonicContact OD1-NZ 3.69Å; D172-K192 PolarHBondContact OD1-NZ 2.83Å; D172-K192 WeakPolarHBondContact OD2-CE 3.47Å; D172-K192 IonicContact OD2-NZ 2.63Å; D172-K192 PolarHBondContact OD2-NZ 3.03Å; S174-K192 PolarHBondContact OG-NZ 2.7Å; V179-K192 HydrophobicContact CG2-CG 4.31Å; K192-L194 HydrophobicContact CB-CD2 4.14Å; K192-L194 HydrophobicContact CB-CG 4.46Å; K192-L194 HydrophobicContact CD-CD2 4.37Å; K192-L194 PolarHBondContact O-N 2.87Å; K192-S219 PolarHBondContact N-O 2.92Å; K192-Q779 VanDerWaalsContact NZ-OE1 3.14Å
193	I	90.5	Very high	82.5	Confident	55 Å²	55	64.6 Å²	64.6	28%	0.282	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	85.8	171.3	-51.3	177	0	0	0	107.4	T178 E195 T196	T178-I193 HydrophobicContact CG2-CD1 4.25Å; T178-I193 PolarHBondContact O-N 3.25Å; I193-E195 PolarHBondContact O-N 3.17Å; I193-E195 VanDerWaalsContact O-N 3.17Å; I193-T196 HydrophobicContact CB-CG2 4.27Å; I193-T196 HydrophobicContact CG2-CG2 3.85Å; I193-T196 PolarHBondContact O-N 2.92Å; I193-T196 PolarHBondContact O-OG1 3.21Å
194	L	86.4	Confident	82.4	Confident	22 Å²	22	65.9 Å²	65.9	12%	0.115	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	-30	-168.7	-67.8	170.9	0	0	0	113.7	K192 T196 C197 H239	K192-L194 HydrophobicContact CB-CD2 4.14Å; K192-L194 HydrophobicContact CB-CG 4.46Å; K192-L194 HydrophobicContact CD-CD2 4.37Å; K192-L194 PolarHBondContact O-N 2.87Å; L194-T196 PolarHBondContact O-N 3.17Å; L194-T196 VanDerWaalsContact O-N 3.17Å; L194-C197 VanDerWaalsContact O-CB 3.27Å; L194-C197 WeakPolarHBondContact O-CB 3.13Å; L194-C197 PolarHBondContact O-N 3.21Å; L194-H239 VanDerWaalsContact CD1-CE1 3.44Å; L194-H239 WeakPolarHBondContact CD1-CE1 3.42Å
195	E	82.3	Confident	82.3	Confident	160 Å²	160	65.5 Å²	65.5	75%	0.748	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.9	-21.3	173.9	-65.3	168.8	178.2	0	0	113.8	I193	I193-E195 PolarHBondContact O-N 3.17Å; I193-E195 VanDerWaalsContact O-N 3.17Å
196	T	85.6	Confident	82.3	Confident	55 Å²	55	56.3 Å²	56.3	34%	0.337	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-4.6	176.5	68.6	0	0	0	0	113.7	T178 I193 L194 K198	T178-T196 WeakPolarHBondContact CB-OG1 3.37Å; T178-T196 PolarHBondContact N-OG1 3.39Å; T178-T196 WeakPolarHBondContact OG1-CB 3.28Å; T178-T196 PolarHBondContact OG1-OG1 3.03Å; I193-T196 HydrophobicContact CB-CG2 4.27Å; I193-T196 HydrophobicContact CG2-CG2 3.85Å; I193-T196 PolarHBondContact O-N 2.92Å; I193-T196 PolarHBondContact O-OG1 3.21Å; L194-T196 PolarHBondContact O-N 3.17Å; L194-T196 VanDerWaalsContact O-N 3.17Å; T196-K198 PolarHBondContact O-N 2.76Å
197	C	84.1	Confident	82.1	Confident	27 Å²	27	57 Å²	57	18%	0.182	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	115.6	-178.1	-68.7	0	0	0	0	111.4	R176 C177 L194	R176-C197 CarbonylContact O-C 3.56Å; R176-C197 WeakPolarHBondContact O-CA 3.34Å; C177-C197 HydrophobicContact CB-CB 4.17Å; C177-C197 WeakPolarHBondContact CB-SG 3.33Å; C177-C197 WeakPolarHBondContact SG-CB 3.45Å; C177-C197 CovalentContact SG-SG 2.04Å; C177-C197 PolarHBondContact SG-SG 2.83Å; L194-C197 VanDerWaalsContact O-CB 3.27Å; L194-C197 WeakPolarHBondContact O-CB 3.13Å; L194-C197 PolarHBondContact O-N 3.21Å
198	K	77.7	Confident	81.5	Confident	165 Å²	165	54.2 Å²	54.2	72%	0.717	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	110.9	171.3	-60.2	-164.7	177.8	-166.1	0	110	R176 T196	R176-K198 PolarHBondContact N-O 3.49Å; R176-K198 VanDerWaalsContact N-O 3.13Å; R176-K198 PolarHBondContact O-N 3.41Å; T196-K198 PolarHBondContact O-N 2.76Å
199	T	68.7	Low	81	Confident	70 Å²	70	57.5 Å²	57.5	43%	0.429	33%	0.325	S	S	.	.			trans	-105.5	178.1	172	64.6	0	0	0	0	110.4	S174	S174-T199 WeakPolarHBondContact O-CG2 3.36Å
200	S	57.8	Low	80.3	Confident	65 Å²	65	55.9 Å²	55.9	46%	0.455	32%	0.315	S	S	.	.	S	Bend	trans	-105.2	7.2	177.6	71.2	0	0	0	0	113.7	K296	S200-K296 WeakPolarHBondContact O-CE 2.99Å; S200-K296 PolarHBondContact O-NZ 3.04Å; S200-K296 WeakPolarHBondContact OG-CE 3.46Å
201	E	63.1	Low	79.6	Confident	41 Å²	41	56.4 Å²	56.4	19%	0.192	32%	0.318	C	S	.	.			trans	-100.4	139.2	-175.1	-64	-166.6	106.1	0	0	111.1	K296 V775 K783	E201-K296 HydrophobicContact CG-CG 4.45Å; E201-V775 HydrophobicContact CB-CB 4.24Å; E201-V775 WeakPolarHBondContact OE2-CG1 3.29Å; E201-K783 IonicContact OE1-NZ 2.73Å; E201-K783 PolarHBondContact OE1-NZ 2.75Å
202	T	62	Low	79.2	Confident	124 Å²	124	54 Å²	54	76%	0.761	30%	0.303	S	S	*	.			trans	-96.1	110.7	-172.7	48.1	0	0	0	0	109.9
203	G	75.7	Confident	79	Confident	47 Å²	47	54.5 Å²	54.5	49%	0.485	31%	0.307	S	S	.	.			trans	-97.2	171.8	160.9	0	0	0	0	0	111.7	S773	G203-S773 CarbonylContact C-O 3.54Å; G203-S773 WeakPolarHBondContact CA-O 3.03Å
204	F	85.6	Confident	78.8	Confident	58 Å²	58	54.3 Å²	54.3	25%	0.254	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	156	169.3	51	-103	0	0	0	110	H405 D771 H772 S773	F204-H405 HydrophobicContact CB-CB 4.16Å; F204-H405 AromaticContact CD1-NE2 3.84Å; F204-H405 AromaticContact CD2-CE1 3.51Å; F204-H405 AromaticContact CD2-ND1 3.57Å; F204-H405 AromaticContact CE2-CE1 3.65Å; F204-H405 AromaticContact CG-CD2 3.97Å; F204-H405 AromaticContact CG-CE1 3.76Å; F204-H405 AromaticContact CG-ND1 3.88Å; F204-H405 AromaticContact CG-NE2 3.82Å; F204-D771 WeakPolarHBondContact CE2-OD2 3.29Å; F204-H772 WeakPolarHBondContact O-CA 3.48Å; F204-S773 VanDerWaalsContact CZ-CB 3.41Å; F204-S773 PolarHBondContact N-O 2.97Å; F204-S773 PolarHBondContact O-N 3.28Å
205	T	84.4	Confident	78.8	Confident	66 Å²	66	57.7 Å²	57.7	41%	0.405	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	149.6	176	-169.5	0	0	0	0	108.6	H772	T205-H772 WeakPolarHBondContact CB-ND1 3.46Å; T205-H772 PolarHBondContact OG1-ND1 2.95Å
206	T	83.1	Confident	79.1	Confident	11 Å²	11	56.7 Å²	56.7	7%	0.067	31%	0.311	C	S	.	.			trans	-63.9	141.5	173.3	179.5	0	0	0	0	111.9	S208 L211 S404 D771	T206-S208 PolarHBondContact O-N 2.9Å; T206-S208 PolarHBondContact OG1-N 3.03Å; T206-L211 HydrophobicContact CG2-CB 4.17Å; T206-S404 WeakPolarHBondContact CA-O 3.48Å; T206-D771 PolarHBondContact N-O 2.86Å
207	H	78.9	Confident	79.3	Confident	58 Å²	58	55.8 Å²	55.8	27%	0.269	31%	0.307	S	S	.	.	S	Bend	trans	-62.2	-26.2	171.6	56.3	-79.6	0	0	0	112.6	T209 S404 K441 E445	H207-T209 PolarHBondContact O-N 2.92Å; H207-S404 PolarHBondContact ND1-O 2.81Å; H207-K441 VanDerWaalsContact CE1-CD 3.48Å; H207-K441 WeakPolarHBondContact CE1-CD 3.48Å; H207-K441 WeakPolarHBondContact CE1-CE 3.26Å; H207-K441 WeakPolarHBondContact NE2-CE 3.32Å; H207-E445 HydrophobicContact CB-CG 4.49Å
208	S	79.5	Confident	79.8	Confident	16 Å²	16	57.3 Å²	57.3	11%	0.112	32%	0.318	C	S	.	.			trans	-73.2	117.4	178.5	176.8	0	0	0	0	111.1	T206 V210 L211 G212	T206-S208 PolarHBondContact O-N 2.9Å; T206-S208 PolarHBondContact OG1-N 3.03Å; S208-V210 VanDerWaalsContact C-N 3.3Å; S208-V210 PolarHBondContact O-N 3.07Å; S208-L211 PolarHBondContact O-N 3.39Å; S208-L211 PolarHBondContact OG-N 3.3Å; S208-G212 WeakPolarHBondContact O-CA 3.36Å; S208-G212 PolarHBondContact O-N 3.12Å
209	T	80.2	Confident	80.6	Confident	72 Å²	72	49.5 Å²	49.5	44%	0.442	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-32.3	176	50.3	0	0	0	0	112.9	H207 N244 S660	H207-T209 PolarHBondContact O-N 2.92Å; T209-N244 WeakPolarHBondContact O-CB 3.24Å; T209-N244 PolarHBondContact O-ND2 2.89Å; T209-S660 WeakPolarHBondContact OG1-CB 3.31Å; T209-S660 PolarHBondContact OG1-OG 3.32Å
210	V	79	Confident	81.9	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.006	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-42.9	179.6	178.9	0	0	0	0	111.4	S208 G212 A245 L662 F693	S208-V210 VanDerWaalsContact C-N 3.3Å; S208-V210 PolarHBondContact O-N 3.07Å; V210-G212 VanDerWaalsContact C-N 3.3Å; V210-A245 HydrophobicContact CG1-CB 4.49Å; V210-A245 PolarHBondContact O-N 3.09Å; V210-L662 HydrophobicContact CB-CB 3.91Å; V210-L662 HydrophobicContact CG1-CB 4.05Å; V210-L662 HydrophobicContact CG2-CB 3.99Å; V210-F693 HydrophobicContact CG1-CE2 4.23Å; V210-F693 HydrophobicContact CG1-CZ 4Å
211	L	80.7	Confident	83.7	Confident	11 Å²	11	45.4 Å²	45.4	6%	0.058	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-8	176.1	-58.5	177.5	0	0	0	113.2	T206 S208 L662 L694 L769 T770	T206-L211 HydrophobicContact CG2-CB 4.17Å; S208-L211 PolarHBondContact O-N 3.39Å; S208-L211 PolarHBondContact OG-N 3.3Å; L211-L662 HydrophobicContact CD1-CD1 4.48Å; L211-L662 HydrophobicContact CD1-CD2 4.04Å; L211-L662 HydrophobicContact CD2-CD2 3.88Å; L211-L662 HydrophobicContact CG-CD2 3.83Å; L211-L694 HydrophobicContact CD2-CD2 3.8Å; L211-L769 HydrophobicContact CD1-CB 4.22Å; L211-L769 HydrophobicContact CD2-CB 4.33Å; L211-T770 WeakPolarHBondContact O-CB 3.25Å; L211-T770 VanDerWaalsContact O-CG2 3.27Å; L211-T770 WeakPolarHBondContact O-CG2 3.47Å; L211-T770 PolarHBondContact O-OG1 2.72Å
212	G	85	Confident	85.2	Confident	3 Å²	3	45 Å²	45	3%	0.031	26%	0.256	C	S	.	.	S	Bend	trans	-76.3	179	-175.6	0	0	0	0	0	115.4	S208 V210 N244	S208-G212 WeakPolarHBondContact O-CA 3.36Å; S208-G212 PolarHBondContact O-N 3.12Å; V210-G212 VanDerWaalsContact C-N 3.3Å; G212-N244 WeakPolarHBondContact O-CB 3.32Å; G212-N244 VanDerWaalsContact O-CG 3.28Å; G212-N244 PolarHBondContact O-N 2.61Å; G212-N244 PolarHBondContact O-ND2 2.82Å
213	V	87.7	Confident	86.7	Confident	17 Å²	17	39.1 Å²	39.1	10%	0.103	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.2	177.4	177.9	0	0	0	0	108.5	L241 G242 V243 T770 H772 F788	V213-L241 HydrophobicContact CG1-CB 4.12Å; V213-G242 CarbonylContact C-O 3.54Å; V213-G242 WeakPolarHBondContact CA-O 3.38Å; V213-V243 HydrophobicContact CG2-CG2 4.36Å; V213-T770 HydrophobicContact CG2-CG2 4.32Å; V213-H772 HydrophobicContact CB-CB 4.25Å; V213-H772 HydrophobicContact CG2-CB 3.68Å; V213-F788 HydrophobicContact CG1-CD2 4.42Å; V213-F788 HydrophobicContact CG2-CB 3.78Å; V213-F788 HydrophobicContact CG2-CG 4.17Å
214	N	86.6	Confident	87.5	Confident	51 Å²	51	40.7 Å²	40.7	27%	0.273	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	126.2	172.9	-176.4	-34.5	0	0	0	109.2	G242 N244 Q658	N214-G242 PolarHBondContact N-O 2.83Å; N214-G242 PolarHBondContact O-N 3.28Å; N214-G242 VanDerWaalsContact O-N 3.16Å; N214-N244 WeakPolarHBondContact CB-OD1 3.33Å; N214-N244 PolarHBondContact N-OD1 3.38Å; N214-N244 VanDerWaalsContact N-OD1 3.08Å; N214-Q658 PolarHBondContact ND2-OE1 3.24Å
215	R	86.7	Confident	87.7	Confident	93 Å²	93	39.3 Å²	39.3	35%	0.351	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129.1	177.6	-177.4	-172	71.1	-170.4	-4	109.7	S217 F240 L241 E774	R215-S217 WeakPolarHBondContact CG-OG 3.38Å; R215-F240 CarbonylContact C-O 3.52Å; R215-F240 VanDerWaalsContact CA-O 3.29Å; R215-F240 WeakPolarHBondContact CA-O 3.5Å; R215-L241 HydrophobicContact CG-CD2 4.48Å; R215-L241 HydrophobicContact CG-CG 4.29Å; R215-E774 WeakPolarHBondContact CD-OE2 3.27Å; R215-E774 IonicContact CZ-OE1 2.86Å; R215-E774 IonicContact CZ-OE2 3.64Å; R215-E774 IonicContact NE-OE2 2.69Å; R215-E774 IonicContact NH1-OE1 2.71Å; R215-E774 PolarHBondContact NH1-OE1 3.01Å; R215-E774 IonicContact NH1-OE2 2.67Å; R215-E774 PolarHBondContact NH1-OE2 2.7Å; R215-E774 VanDerWaalsContact NH1-OE2 3.1Å
216	K	88.9	Confident	87.6	Confident	140 Å²	140	40.5 Å²	40.5	61%	0.609	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	118.4	167.7	-65.1	-174.4	179.2	-176.9	0	109.4	F240	K216-F240 HydrophobicContact CB-CB 4.32Å; K216-F240 PolarHBondContact N-O 3.28Å; K216-F240 PolarHBondContact O-N 3.35Å
217	S	90.8	Very high	87	Confident	36 Å²	36	47.2 Å²	47.2	25%	0.252	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	140.9	-174.7	-56.2	0	0	0	0	111.7	R215 T238 H239	R215-S217 WeakPolarHBondContact CG-OG 3.38Å; S217-T238 CarbonylContact C-O 3.57Å; S217-T238 VanDerWaalsContact CA-O 3.26Å; S217-T238 WeakPolarHBondContact CA-O 3.37Å; S217-H239 VanDerWaalsContact CB-ND1 3.32Å; S217-H239 WeakPolarHBondContact CB-ND1 3.25Å; S217-H239 PolarHBondContact OG-ND1 3.12Å
218	S	93.2	Very high	86.6	Confident	59 Å²	59	46.4 Å²	46.4	41%	0.413	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	136.6	176.2	52.1	0	0	0	0	110.5	E237 T238	S218-E237 CarbonylContact O-C 3.46Å; S218-E237 WeakPolarHBondContact O-CA 3.22Å; S218-T238 PolarHBondContact N-O 3.05Å; S218-T238 PolarHBondContact O-N 3.5Å; S218-T238 PolarHBondContact OG-OG1 3.26Å
219	S	95.2	Very high	86.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	120	173.3	166.2	0	0	0	0	108.7	K192 Q779	K192-S219 PolarHBondContact N-O 2.92Å; S219-Q779 PolarHBondContact OG-OE1 3.03Å
220	V	96	Very high	86.8	Confident	49 Å²	49	43.3 Å²	43.3	30%	0.297	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	130.4	-178.8	-176.4	0	0	0	0	108.1	T189 R190 T191 V222 A235 E236	T189-V220 HydrophobicContact CG2-CG1 3.79Å; R190-V220 CarbonylContact O-C 3.59Å; R190-V220 WeakPolarHBondContact O-CA 3.27Å; T191-V220 HydrophobicContact CG2-CG2 4.37Å; V220-V222 HydrophobicContact CG1-CG2 4.27Å; V220-A235 WeakPolarHBondContact O-CA 3.17Å; V220-E236 PolarHBondContact N-O 3.1Å; V220-E236 PolarHBondContact O-N 2.82Å
221	T	95.4	Very high	87.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.5	170.9	-47.2	0	0	0	0	109.3	L158 R190 F223 E234 A235 Q779	L158-T221 HydrophobicContact CD2-CG2 4.03Å; R190-T221 PolarHBondContact N-O 3.25Å; R190-T221 PolarHBondContact NE-OG1 2.94Å; R190-T221 PolarHBondContact NH2-OG1 2.73Å; R190-T221 PolarHBondContact O-N 3.06Å; T221-F223 HydrophobicContact CG2-CD1 4.39Å; T221-F223 HydrophobicContact CG2-CD2 4.46Å; T221-F223 HydrophobicContact CG2-CE1 3.72Å; T221-F223 HydrophobicContact CG2-CE2 3.83Å; T221-F223 HydrophobicContact CG2-CZ 3.42Å; T221-F223 VanDerWaalsContact CG2-CZ 3.42Å; T221-E234 CarbonylContact C-O 3.58Å; T221-E234 WeakPolarHBondContact CA-O 3.49Å; T221-A235 HydrophobicContact CG2-CB 3.98Å; T221-Q779 PolarHBondContact OG1-NE2 2.73Å
222	V	95.3	Very high	88	Confident	33 Å²	33	49.4 Å²	49.4	20%	0.2	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	114.5	179	178.9	0	0	0	0	108.5	Q187 V220 E234	Q187-V222 HydrophobicContact CG-CG1 4.09Å; V220-V222 HydrophobicContact CG1-CG2 4.27Å; V222-E234 PolarHBondContact N-O 2.95Å; V222-E234 PolarHBondContact O-N 2.88Å
223	F	93.3	Very high	88.5	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	125.6	174.7	-57.4	-76.4	0	0	0	109.5	L158 F161 Q187 V188 R190 T221 L225 S232 A233	L158-F223 VanDerWaalsContact O-CE1 3.23Å; L158-F223 WeakPolarHBondContact O-CE1 3.4Å; F161-F223 HydrophobicContact CB-CD2 3.99Å; F161-F223 HydrophobicContact CB-CE1 4.4Å; F161-F223 HydrophobicContact CB-CE2 3.67Å; F161-F223 HydrophobicContact CB-CG 4.47Å; F161-F223 HydrophobicContact CB-CZ 3.9Å; F161-F223 HydrophobicContact CG-CD2 4.49Å; Q187-F223 CarbonylContact C-O 3.58Å; Q187-F223 VanDerWaalsContact CA-O 3.28Å; Q187-F223 WeakPolarHBondContact CA-O 3.25Å; V188-F223 HydrophobicContact CB-CB 4.3Å; V188-F223 HydrophobicContact CB-CD2 4.4Å; V188-F223 HydrophobicContact CG1-CD2 4.46Å; V188-F223 PolarHBondContact N-O 2.96Å; V188-F223 WeakPolarHBondContact O-CD2 3.32Å; V188-F223 PolarHBondContact O-N 3.37Å; R190-F223 HydrophobicContact CB-CD2 4.44Å; R190-F223 HydrophobicContact CB-CE2 3.77Å; T221-F223 HydrophobicContact CG2-CD1 4.39Å; T221-F223 HydrophobicContact CG2-CD2 4.46Å; T221-F223 HydrophobicContact CG2-CE1 3.72Å; T221-F223 HydrophobicContact CG2-CE2 3.83Å; T221-F223 HydrophobicContact CG2-CZ 3.42Å; T221-F223 VanDerWaalsContact CG2-CZ 3.42Å; F223-L225 HydrophobicContact CB-CD2 4.33Å; F223-S232 CarbonylContact C-O 3.57Å; F223-S232 WeakPolarHBondContact CA-O 3.34Å; F223-A233 HydrophobicContact CD1-CB 3.52Å; F223-A233 HydrophobicContact CE1-CB 3.58Å
224	K	92.8	Very high	88.9	Confident	81 Å²	81	51.8 Å²	51.8	35%	0.352	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.3	168	-61.6	176.2	-167.2	144.7	0	107.5	R231 S232 E234	K224-R231 WeakPolarHBondContact O-CB 3.46Å; K224-R231 PolarHBondContact O-N 3.07Å; K224-S232 WeakPolarHBondContact CD-OG 3.12Å; K224-S232 PolarHBondContact N-O 2.83Å; K224-S232 PolarHBondContact O-N 2.96Å; K224-E234 WeakPolarHBondContact CE-OE1 3.31Å; K224-E234 IonicContact NZ-OE1 2.74Å; K224-E234 PolarHBondContact NZ-OE1 2.87Å; K224-E234 IonicContact NZ-OE2 3.04Å; K224-E234 PolarHBondContact NZ-OE2 2.82Å
225	L	88.5	Confident	89.3	Confident	29 Å²	29	49.7 Å²	49.7	15%	0.152	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	139.1	-171.4	-59	-178.2	0	0	0	111.6	F161 G186 V188 F223 F229 I230	F161-L225 HydrophobicContact CE2-CD1 4.08Å; F161-L225 HydrophobicContact CE2-CD2 3.87Å; F161-L225 HydrophobicContact CZ-CD2 3.84Å; G186-L225 PolarHBondContact O-N 3.03Å; V188-L225 HydrophobicContact CG2-CD1 3.85Å; F223-L225 HydrophobicContact CB-CD2 4.33Å; L225-F229 CarbonylContact C-O 3.56Å; L225-F229 VanDerWaalsContact CA-O 3.24Å; L225-F229 WeakPolarHBondContact CA-O 3.33Å; L225-I230 HydrophobicContact CD2-CG1 4.46Å
226	E	82.8	Confident	89.8	Confident	91 Å²	91	49 Å²	49	43%	0.425	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	126.3	176.7	-172.1	163.2	-152.7	0	0	107.5	G228 F229 R231	E226-G228 PolarHBondContact O-N 2.94Å; E226-G228 VanDerWaalsContact O-N 3.08Å; E226-F229 PolarHBondContact N-O 3Å; E226-F229 PolarHBondContact O-N 2.72Å; E226-R231 HydrophobicContact CB-CB 3.97Å; E226-R231 IonicContact OE1-NH1 2.71Å; E226-R231 PolarHBondContact OE1-NH1 2.8Å; E226-R231 WeakPolarHBondContact OE2-CD 3.27Å; E226-R231 WeakPolarHBondContact OE2-CG 3.42Å; E226-R231 IonicContact OE2-CZ 2.94Å; E226-R231 IonicContact OE2-NE 3.54Å; E226-R231 IonicContact OE2-NH1 2.69Å; E226-R231 PolarHBondContact OE2-NH1 1.83Å
227	D	71.6	Confident	90.1	Very high	152 Å²	152	42.6 Å²	42.6	81%	0.813	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	27.9	-167	-52.7	-35	0	0	0	114.6	F229	D227-F229 VanDerWaalsContact C-N 3.28Å; D227-F229 PolarHBondContact O-N 2.79Å
228	G	68.8	Low	90.2	Very high	41 Å²	41	41.9 Å²	41.9	42%	0.423	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	3.7	-175.8	0	0	0	0	0	115.2	E226	E226-G228 PolarHBondContact O-N 2.94Å; E226-G228 VanDerWaalsContact O-N 3.08Å
229	F	79.3	Confident	90.2	Very high	21 Å²	21	39.7 Å²	39.7	9%	0.092	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	162.3	177.2	-169.2	-100.4	0	0	0	111.6	P29 L31 Y37 F39 L225 E226 D227 R231	P29-F229 HydrophobicContact CB-CD2 4.43Å; P29-F229 HydrophobicContact CB-CE2 4.44Å; L31-F229 HydrophobicContact CD1-CE2 3.97Å; L31-F229 HydrophobicContact CG-CE2 4Å; L31-F229 HydrophobicContact CG-CZ 4.34Å; Y37-F229 HydrophobicContact CD1-CD1 4.11Å; Y37-F229 AromaticContact CD1-CE1 3.33Å; Y37-F229 HydrophobicContact CD1-CE1 3.33Å; Y37-F229 AromaticContact CD1-CZ 3.66Å; Y37-F229 HydrophobicContact CD1-CZ 3.66Å; Y37-F229 AromaticContact CE1-CD1 3.85Å; Y37-F229 HydrophobicContact CE1-CD1 3.85Å; Y37-F229 AromaticContact CE1-CE1 3.43Å; Y37-F229 HydrophobicContact CE1-CE1 3.43Å; Y37-F229 VanDerWaalsContact CE1-CE1 3.43Å; Y37-F229 HydrophobicContact CE1-CE2 4.24Å; Y37-F229 HydrophobicContact CE1-CG 4.4Å; Y37-F229 AromaticContact CE1-CZ 3.65Å; Y37-F229 HydrophobicContact CE1-CZ 3.65Å; Y37-F229 HydrophobicContact CG-CE1 4.17Å; Y37-F229 HydrophobicContact CG-CZ 4.13Å; F39-F229 HydrophobicContact CE2-CE1 4.41Å; F39-F229 AromaticContact CZ-CE1 3.72Å; F39-F229 HydrophobicContact CZ-CE1 3.72Å; F39-F229 HydrophobicContact CZ-CZ 4.1Å; L225-F229 CarbonylContact C-O 3.56Å; L225-F229 VanDerWaalsContact CA-O 3.24Å; L225-F229 WeakPolarHBondContact CA-O 3.33Å; E226-F229 PolarHBondContact N-O 3Å; E226-F229 PolarHBondContact O-N 2.72Å; D227-F229 VanDerWaalsContact C-N 3.28Å; D227-F229 PolarHBondContact O-N 2.79Å; F229-R231 PolarHBondContact O-N 2.83Å
230	I	86.1	Confident	90	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	117	-179.2	-56.4	178	0	0	0	110.3	F39 L159 F161 L225 S232 A233	F39-I230 HydrophobicContact CE1-CG2 4.36Å; L159-I230 HydrophobicContact CD2-CD1 4.08Å; F161-I230 HydrophobicContact CD1-CD1 4.02Å; F161-I230 HydrophobicContact CD1-CG1 4.22Å; F161-I230 HydrophobicContact CE1-CD1 3.64Å; F161-I230 HydrophobicContact CE1-CG1 3.45Å; F161-I230 VanDerWaalsContact CE1-CG1 3.45Å; F161-I230 HydrophobicContact CZ-CG1 4.02Å; L225-I230 HydrophobicContact CD2-CG1 4.46Å; I230-S232 VanDerWaalsContact CG2-C 3.5Å; I230-A233 HydrophobicContact CG2-CB 4.23Å
231	R	91.1	Very high	89.7	Confident	132 Å²	132	40.2 Å²	40.2	50%	0.498	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-47	162.3	-175.5	-168.4	178	118.9	-8.5	110.4	K224 E226 F229 L261	K224-R231 WeakPolarHBondContact O-CB 3.46Å; K224-R231 PolarHBondContact O-N 3.07Å; E226-R231 HydrophobicContact CB-CB 3.97Å; E226-R231 IonicContact OE1-NH1 2.71Å; E226-R231 PolarHBondContact OE1-NH1 2.8Å; E226-R231 WeakPolarHBondContact OE2-CD 3.27Å; E226-R231 WeakPolarHBondContact OE2-CG 3.42Å; E226-R231 IonicContact OE2-CZ 2.94Å; E226-R231 IonicContact OE2-NE 3.54Å; E226-R231 IonicContact OE2-NH1 2.69Å; E226-R231 PolarHBondContact OE2-NH1 1.83Å; F229-R231 PolarHBondContact O-N 2.83Å; R231-L261 PolarHBondContact O-N 2.84Å
232	S	93.4	Very high	89.4	Confident	8 Å²	8	40.3 Å²	40.3	6%	0.056	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	153.6	165.3	69.9	0	0	0	0	113.3	F223 K224 I230 E234 L259	F223-S232 CarbonylContact C-O 3.57Å; F223-S232 WeakPolarHBondContact CA-O 3.34Å; K224-S232 WeakPolarHBondContact CD-OG 3.12Å; K224-S232 PolarHBondContact N-O 2.83Å; K224-S232 PolarHBondContact O-N 2.96Å; I230-S232 VanDerWaalsContact CG2-C 3.5Å; S232-E234 WeakPolarHBondContact CB-OE1 3.42Å; S232-E234 PolarHBondContact OG-OE1 2.95Å; S232-L259 CarbonylContact C-O 3.57Å; S232-L259 WeakPolarHBondContact CA-O 3.44Å
233	A	94.5	Very high	89	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	112.1	166.7	0	0	0	0	0	108.8	F223 I230 S258 L259	F223-A233 HydrophobicContact CD1-CB 3.52Å; F223-A233 HydrophobicContact CE1-CB 3.58Å; I230-A233 HydrophobicContact CG2-CB 4.23Å; A233-S258 WeakPolarHBondContact O-CA 3.41Å; A233-L259 HydrophobicContact CB-CB 4.28Å; A233-L259 PolarHBondContact N-O 2.86Å; A233-L259 PolarHBondContact O-N 3.4Å
234	E	96.4	Very high	88.5	Confident	69 Å²	69	39.5 Å²	39.5	32%	0.322	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	109.4	-179.1	-74.8	145.6	-124.9	0	0	108.7	T221 V222 K224 S232	T221-E234 CarbonylContact C-O 3.58Å; T221-E234 WeakPolarHBondContact CA-O 3.49Å; V222-E234 PolarHBondContact N-O 2.95Å; V222-E234 PolarHBondContact O-N 2.88Å; K224-E234 WeakPolarHBondContact CE-OE1 3.31Å; K224-E234 IonicContact NZ-OE1 2.74Å; K224-E234 PolarHBondContact NZ-OE1 2.87Å; K224-E234 IonicContact NZ-OE2 3.04Å; K224-E234 PolarHBondContact NZ-OE2 2.82Å; S232-E234 WeakPolarHBondContact CB-OE1 3.42Å; S232-E234 PolarHBondContact OG-OE1 2.95Å
235	A	96	Very high	87.6	Confident	8 Å²	8	35.8 Å²	35.8	7%	0.066	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	133.8	176.3	0	0	0	0	0	111.4	L158 V220 T221 R256 Q257	L158-A235 HydrophobicContact CD2-CB 4.09Å; V220-A235 WeakPolarHBondContact O-CA 3.17Å; T221-A235 HydrophobicContact CG2-CB 3.98Å; A235-R256 CarbonylContact O-C 3.55Å; A235-R256 VanDerWaalsContact O-CA 3.25Å; A235-R256 WeakPolarHBondContact O-CA 3.15Å; A235-Q257 HydrophobicContact CB-CB 4.09Å; A235-Q257 HydrophobicContact CB-CG 4.48Å; A235-Q257 PolarHBondContact N-O 3.28Å; A235-Q257 PolarHBondContact O-N 2.89Å
236	E	96.2	Very high	87.2	Confident	79 Å²	79	35.3 Å²	35.3	37%	0.369	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.9	164	-177.2	162.1	119.9	0	0	109.5	V220 T238 L254 R256	V220-E236 PolarHBondContact N-O 3.1Å; V220-E236 PolarHBondContact O-N 2.82Å; E236-T238 HydrophobicContact CG-CG2 4.3Å; E236-L254 HydrophobicContact CG-CD1 3.56Å; E236-R256 HydrophobicContact CG-CG 4.38Å; E236-R256 IonicContact OE2-CZ 2.62Å; E236-R256 IonicContact OE2-NE 2.91Å; E236-R256 PolarHBondContact OE2-NE 3.43Å; E236-R256 IonicContact OE2-NH2 3.84Å; E236-R256 PolarHBondContact OE2-NH2 3.47Å
237	E	95.2	Very high	86.8	Confident	4 Å²	4	34.6 Å²	34.6	2%	0.019	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	126.4	173.9	177.4	171.8	-158.1	0	0	109.4	S218 H239 L254 S255 L778 Q779	S218-E237 CarbonylContact O-C 3.46Å; S218-E237 WeakPolarHBondContact O-CA 3.22Å; E237-H239 WeakPolarHBondContact CG-NE2 3.2Å; E237-H239 IonicContact OE1-CD2 3.52Å; E237-H239 IonicContact OE1-CE1 3.68Å; E237-H239 IonicContact OE1-NE2 3.56Å; E237-H239 PolarHBondContact OE1-NE2 3Å; E237-H239 IonicContact OE2-NE2 2.69Å; E237-L254 CarbonylContact O-C 3.51Å; E237-L254 WeakPolarHBondContact O-CA 3.39Å; E237-S255 PolarHBondContact N-O 2.04Å; E237-S255 PolarHBondContact O-N 3.1Å; E237-L778 HydrophobicContact CG-CD2 4.29Å; E237-L778 WeakPolarHBondContact OE2-CA 3.32Å; E237-Q779 WeakPolarHBondContact OE2-CB 3.26Å; E237-Q779 PolarHBondContact OE2-N 3.38Å
238	T	93.6	Very high	87.1	Confident	22 Å²	22	28.7 Å²	28.7	14%	0.135	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.2	178.1	53.9	0	0	0	0	111.2	S217 S218 E236 I253 L254	S217-T238 CarbonylContact C-O 3.57Å; S217-T238 VanDerWaalsContact CA-O 3.26Å; S217-T238 WeakPolarHBondContact CA-O 3.37Å; S218-T238 PolarHBondContact N-O 3.05Å; S218-T238 PolarHBondContact O-N 3.5Å; S218-T238 PolarHBondContact OG-OG1 3.26Å; E236-T238 HydrophobicContact CG-CG2 4.3Å; T238-I253 VanDerWaalsContact CA-O 3.29Å; T238-I253 WeakPolarHBondContact CA-O 3.31Å; T238-L254 HydrophobicContact CG2-CB 4.28Å; T238-L254 HydrophobicContact CG2-CD1 3.63Å
239	H	92.6	Very high	87.9	Confident	12 Å²	12	26.9 Å²	26.9	6%	0.056	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	121.3	170.2	-60.7	-102.6	0	0	0	108.6	L194 S217 E237 L241 K252 I253 L778	L194-H239 VanDerWaalsContact CD1-CE1 3.44Å; L194-H239 WeakPolarHBondContact CD1-CE1 3.42Å; S217-H239 VanDerWaalsContact CB-ND1 3.32Å; S217-H239 WeakPolarHBondContact CB-ND1 3.25Å; S217-H239 PolarHBondContact OG-ND1 3.12Å; E237-H239 WeakPolarHBondContact CG-NE2 3.2Å; E237-H239 IonicContact OE1-CD2 3.52Å; E237-H239 IonicContact OE1-CE1 3.68Å; E237-H239 IonicContact OE1-NE2 3.56Å; E237-H239 PolarHBondContact OE1-NE2 3Å; E237-H239 IonicContact OE2-NE2 2.69Å; H239-L241 HydrophobicContact CB-CD1 4.17Å; H239-K252 WeakPolarHBondContact O-CA 2.75Å; H239-I253 HydrophobicContact CB-CB 4.18Å; H239-I253 HydrophobicContact CB-CD1 4.25Å; H239-I253 HydrophobicContact CB-CG1 4.49Å; H239-I253 PolarHBondContact N-O 3.12Å; H239-I253 PolarHBondContact O-N 2.98Å; H239-L778 WeakPolarHBondContact NE2-CD2 3.26Å
240	F	90.7	Very high	88.3	Confident	60 Å²	60	25.9 Å²	25.9	26%	0.263	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127.7	172	178.3	-72.8	0	0	0	107.6	A50 R215 K216 A250	A50-F240 HydrophobicContact CB-CD2 4.11Å; A50-F240 HydrophobicContact CB-CE2 3.37Å; A50-F240 HydrophobicContact CB-CZ 3.78Å; R215-F240 CarbonylContact C-O 3.52Å; R215-F240 VanDerWaalsContact CA-O 3.29Å; R215-F240 WeakPolarHBondContact CA-O 3.5Å; K216-F240 HydrophobicContact CB-CB 4.32Å; K216-F240 PolarHBondContact N-O 3.28Å; K216-F240 PolarHBondContact O-N 3.35Å; F240-A250 HydrophobicContact CE1-CB 4.28Å; F240-A250 HydrophobicContact CZ-CB 4.09Å
241	L	90.6	Very high	88.5	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130.9	174.2	-60.6	97.9	0	0	0	109.2	V213 R215 H239 A250 A251 A786 F788	V213-L241 HydrophobicContact CG1-CB 4.12Å; R215-L241 HydrophobicContact CG-CD2 4.48Å; R215-L241 HydrophobicContact CG-CG 4.29Å; H239-L241 HydrophobicContact CB-CD1 4.17Å; L241-A250 CarbonylContact O-C 3.56Å; L241-A250 WeakPolarHBondContact O-CA 3.36Å; L241-A250 VanDerWaalsContact O-CB 3.31Å; L241-A250 WeakPolarHBondContact O-CB 3.41Å; L241-A251 PolarHBondContact N-O 3.21Å; L241-A251 PolarHBondContact O-N 3.44Å; L241-A786 HydrophobicContact CD1-CB 4.35Å; L241-A786 HydrophobicContact CD2-CB 3.87Å; L241-F788 HydrophobicContact CB-CD2 4.46Å; L241-F788 HydrophobicContact CB-CE2 3.54Å; L241-F788 HydrophobicContact CB-CZ 3.8Å; L241-F788 HydrophobicContact CD2-CE2 4.33Å; L241-F788 HydrophobicContact CG-CE2 4.47Å; L241-F788 WeakPolarHBondContact O-CZ 3.44Å
242	G	88.4	Confident	88.6	Confident	3 Å²	3	23.2 Å²	23.2	3%	0.031	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	143.6	180	0	0	0	0	0	113.8	V213 N214 A250	V213-G242 CarbonylContact C-O 3.54Å; V213-G242 WeakPolarHBondContact CA-O 3.38Å; N214-G242 PolarHBondContact N-O 2.83Å; N214-G242 PolarHBondContact O-N 3.28Å; N214-G242 VanDerWaalsContact O-N 3.16Å; G242-A250 VanDerWaalsContact CA-CB 3.45Å
243	V	86.4	Confident	88.6	Confident	3 Å²	3	22.9 Å²	22.9	2%	0.018	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	132.6	180	-177.2	0	0	0	0	110.2	V213 H246 R247 T249 T770 F788 V821	V213-V243 HydrophobicContact CG2-CG2 4.36Å; V243-H246 CarbonylContact O-C 3.36Å; V243-H246 PolarHBondContact O-N 2.68Å; V243-R247 WeakPolarHBondContact O-CA 3.44Å; V243-R247 PolarHBondContact O-N 2.85Å; V243-T249 HydrophobicContact CG2-CG2 4.31Å; V243-T249 PolarHBondContact N-O 3.24Å; V243-T770 HydrophobicContact CG1-CG2 4.47Å; V243-F788 HydrophobicContact CG2-CD1 3.76Å; V243-F788 HydrophobicContact CG2-CE1 4.43Å; V243-V821 HydrophobicContact CG1-CG1 4.35Å; V243-V821 HydrophobicContact CG2-CG1 3.87Å
244	N	84.6	Confident	88.5	Confident	13 Å²	13	23.8 Å²	23.8	7%	0.07	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-42.8	-170.4	-70.7	-19.6	0	0	0	112.9	T209 G212 N214 H246 S657 Q658	T209-N244 WeakPolarHBondContact O-CB 3.24Å; T209-N244 PolarHBondContact O-ND2 2.89Å; G212-N244 WeakPolarHBondContact O-CB 3.32Å; G212-N244 VanDerWaalsContact O-CG 3.28Å; G212-N244 PolarHBondContact O-N 2.61Å; G212-N244 PolarHBondContact O-ND2 2.82Å; N214-N244 WeakPolarHBondContact CB-OD1 3.33Å; N214-N244 PolarHBondContact N-OD1 3.38Å; N214-N244 VanDerWaalsContact N-OD1 3.08Å; N244-H246 PolarHBondContact O-N 3.01Å; N244-S657 PolarHBondContact O-OG 2.77Å; N244-Q658 PolarHBondContact OD1-NE2 2.83Å
245	A	73.1	Confident	88.4	Confident	2 Å²	2	20.6 Å²	20.6	2%	0.017	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-10.6	174.7	0	0	0	0	0	114.7	V210 V630 L691 F693	V210-A245 HydrophobicContact CG1-CB 4.49Å; V210-A245 PolarHBondContact O-N 3.09Å; A245-V630 VanDerWaalsContact CA-CG2 3.5Å; A245-V630 HydrophobicContact CB-CG2 4.02Å; A245-V630 WeakPolarHBondContact O-CG2 3.43Å; A245-L691 HydrophobicContact CB-CD2 3.68Å; A245-F693 HydrophobicContact CB-CE1 4.48Å; A245-F693 HydrophobicContact CB-CZ 4.19Å
246	H	79.1	Confident	88.4	Confident	19 Å²	19	25.1 Å²	25.1	9%	0.088	12%	0.115	C	C	.	.			trans	-157.9	84.9	177.9	-170.5	-113.4	0	0	0	111.1	V243 N244 S248 T249 L691 F840	V243-H246 CarbonylContact O-C 3.36Å; V243-H246 PolarHBondContact O-N 2.68Å; N244-H246 PolarHBondContact O-N 3.01Å; H246-S248 PolarHBondContact O-N 2.95Å; H246-S248 VanDerWaalsContact O-N 3.11Å; H246-T249 PolarHBondContact ND1-OG1 3.1Å; H246-T249 PolarHBondContact O-N 2.78Å; H246-L691 HydrophobicContact CB-CD1 3.85Å; H246-L691 HydrophobicContact CB-CD2 4.34Å; H246-L691 HydrophobicContact CB-CG 4.33Å; H246-F840 AromaticContact CE1-CD2 3.24Å; H246-F840 WeakPolarHBondContact CE1-CD2 3.36Å; H246-F840 AromaticContact CE1-CE2 3.75Å; H246-F840 AromaticContact CE1-CG 3.78Å; H246-F840 AromaticContact ND1-CD2 3.91Å; H246-F840 AromaticContact ND1-CG 4Å; H246-F840 AromaticContact NE2-CD2 3.72Å; H246-F840 AromaticContact NE2-CE2 3.73Å
247	R	75.8	Confident	88.4	Confident	77 Å²	77	21.7 Å²	21.7	29%	0.291	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-21.1	-172	-58.4	-173.5	-174.9	116.9	-6	112.3	W51 V243 T249 A250 P628 D629	W51-R247 HydrophobicContact CH2-CB 3.94Å; W51-R247 WeakPolarHBondContact CH2-O 3.5Å; W51-R247 WeakPolarHBondContact CZ3-O 3.44Å; V243-R247 WeakPolarHBondContact O-CA 3.44Å; V243-R247 PolarHBondContact O-N 2.85Å; R247-T249 PolarHBondContact O-N 2.94Å; R247-A250 WeakPolarHBondContact O-CB 3.48Å; R247-P628 PolarHBondContact NH1-O 2.83Å; R247-D629 VanDerWaalsContact CB-OD2 3.28Å; R247-D629 WeakPolarHBondContact CB-OD2 2.81Å; R247-D629 VanDerWaalsContact CD-OD1 3.23Å; R247-D629 WeakPolarHBondContact CD-OD1 3.29Å; R247-D629 HydrophobicContact CG-CB 4.45Å; R247-D629 WeakPolarHBondContact CG-OD1 3.02Å; R247-D629 IonicContact CZ-OD1 2.72Å; R247-D629 PolarHBondContact N-OD2 3.04Å; R247-D629 IonicContact NE-OD1 2.91Å; R247-D629 IonicContact NH1-OD1 2.8Å; R247-D629 PolarHBondContact NH1-OD1 2.9Å
248	S	77.4	Confident	88.5	Confident	28 Å²	28	23 Å²	23	20%	0.196	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.7	171.3	-173.1	0	0	0	0	112.5	K49 H246 A250 E874	K49-S248 WeakPolarHBondContact CE-O 3.28Å; K49-S248 PolarHBondContact NZ-O 2.83Å; K49-S248 PolarHBondContact NZ-OG 2.82Å; H246-S248 PolarHBondContact O-N 2.95Å; H246-S248 VanDerWaalsContact O-N 3.11Å; S248-A250 VanDerWaalsContact C-N 3.27Å; S248-A250 PolarHBondContact O-N 2.87Å; S248-E874 PolarHBondContact OG-OE1 3.28Å
249	T	84.9	Confident	88.6	Confident	3 Å²	3	22 Å²	22	2%	0.018	10%	0.103	C	C	.	.	S	Bend	trans	-82.1	73.9	169.9	-50.3	0	0	0	0	109.6	V243 H246 R247 V821 V838	V243-T249 HydrophobicContact CG2-CG2 4.31Å; V243-T249 PolarHBondContact N-O 3.24Å; H246-T249 PolarHBondContact ND1-OG1 3.1Å; H246-T249 PolarHBondContact O-N 2.78Å; R247-T249 PolarHBondContact O-N 2.94Å; T249-V821 HydrophobicContact CG2-CG1 4.1Å; T249-V838 HydrophobicContact CG2-CB 4.28Å; T249-V838 HydrophobicContact CG2-CG2 3.73Å
250	A	88.1	Confident	88.8	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	145.7	-179.4	0	0	0	0	0	112.9	A50 W51 F240 L241 G242 R247 S248	A50-A250 HydrophobicContact CB-CB 3.48Å; A50-A250 VanDerWaalsContact CB-CB 3.48Å; A50-A250 WeakPolarHBondContact CB-O 3.46Å; A50-A250 PolarHBondContact N-O 2.9Å; W51-A250 HydrophobicContact CZ3-CB 4.4Å; F240-A250 HydrophobicContact CE1-CB 4.28Å; F240-A250 HydrophobicContact CZ-CB 4.09Å; L241-A250 CarbonylContact O-C 3.56Å; L241-A250 WeakPolarHBondContact O-CA 3.36Å; L241-A250 VanDerWaalsContact O-CB 3.31Å; L241-A250 WeakPolarHBondContact O-CB 3.41Å; G242-A250 VanDerWaalsContact CA-CB 3.45Å; R247-A250 WeakPolarHBondContact O-CB 3.48Å; S248-A250 VanDerWaalsContact C-N 3.27Å; S248-A250 PolarHBondContact O-N 2.87Å
251	A	91.3	Very high	88.9	Confident	1 Å²	1	22.9 Å²	22.9	1%	0.008	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	152.4	-176.5	0	0	0	0	0	111.1	L241 F788 V825	L241-A251 PolarHBondContact N-O 3.21Å; L241-A251 PolarHBondContact O-N 3.44Å; A251-F788 HydrophobicContact CB-CZ 4.26Å; A251-V825 HydrophobicContact CB-CB 4.38Å; A251-V825 HydrophobicContact CB-CG2 3.66Å
252	K	91.9	Very high	89.1	Confident	77 Å²	77	28.3 Å²	28.3	34%	0.335	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.1	176.8	-176.7	177.7	178.9	-178.5	0	110.3	L47 D48 H239	L47-K252 WeakPolarHBondContact CA-O 3.38Å; D48-K252 PolarHBondContact N-O 3.36Å; D48-K252 VanDerWaalsContact N-O 3.1Å; D48-K252 PolarHBondContact O-N 2.71Å; H239-K252 WeakPolarHBondContact O-CA 2.75Å
253	I	93.1	Very high	89.2	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	133.8	161.7	-50.5	172.7	0	0	0	107.3	L45 L47 T238 H239 L778 A784 V825	L45-I253 HydrophobicContact CD1-CG2 4.18Å; L47-I253 HydrophobicContact CD2-CB 4.25Å; L47-I253 HydrophobicContact CD2-CG1 3.98Å; L47-I253 HydrophobicContact CD2-CG2 4.02Å; T238-I253 VanDerWaalsContact CA-O 3.29Å; T238-I253 WeakPolarHBondContact CA-O 3.31Å; H239-I253 HydrophobicContact CB-CB 4.18Å; H239-I253 HydrophobicContact CB-CD1 4.25Å; H239-I253 HydrophobicContact CB-CG1 4.49Å; H239-I253 PolarHBondContact N-O 3.12Å; H239-I253 PolarHBondContact O-N 2.98Å; I253-L778 HydrophobicContact CG2-CD1 4.12Å; I253-L778 HydrophobicContact CG2-CD2 4.11Å; I253-A784 HydrophobicContact CD1-CB 3.87Å; I253-V825 HydrophobicContact CD1-CG1 3.74Å; I253-V825 HydrophobicContact CG1-CG1 3.59Å
254	L	93.5	Very high	89.5	Confident	19 Å²	19	34.1 Å²	34.1	10%	0.099	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	119.3	167.6	163.7	61.9	0	0	0	107.4	L46 E236 E237 T238 R256	L46-L254 HydrophobicContact CB-CB 4.09Å; L46-L254 HydrophobicContact CB-CD2 4.28Å; L46-L254 HydrophobicContact CB-CG 4.28Å; L46-L254 HydrophobicContact CD1-CD2 3.66Å; L46-L254 HydrophobicContact CD1-CG 4.2Å; L46-L254 PolarHBondContact N-O 3.05Å; L46-L254 PolarHBondContact O-N 3.36Å; E236-L254 HydrophobicContact CG-CD1 3.56Å; E237-L254 CarbonylContact O-C 3.51Å; E237-L254 WeakPolarHBondContact O-CA 3.39Å; T238-L254 HydrophobicContact CG2-CB 4.28Å; T238-L254 HydrophobicContact CG2-CD1 3.63Å; L254-R256 HydrophobicContact CD1-CG 3.96Å; L254-R256 HydrophobicContact CG-CG 4.48Å
255	S	94.6	Very high	89.8	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	135.5	168.2	-163.5	0	0	0	0	109.3	E44 E237 S780	E44-S255 VanDerWaalsContact O-CA 3.28Å; E44-S255 WeakPolarHBondContact O-CA 3.42Å; E44-S255 PolarHBondContact O-OG 3.12Å; E44-S255 VanDerWaalsContact O-OG 3.07Å; E237-S255 PolarHBondContact N-O 2.04Å; E237-S255 PolarHBondContact O-N 3.1Å; S255-S780 PolarHBondContact OG-OG 2.69Å
256	R	95.6	Very high	90.5	Very high	102 Å²	102	42.6 Å²	42.6	39%	0.385	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	146.6	175.2	-68.3	176.3	167	162.9	-4.3	109.8	T43 E44 A235 E236 L254	T43-R256 CarbonylContact C-O 3.52Å; T43-R256 VanDerWaalsContact CA-O 3.25Å; T43-R256 WeakPolarHBondContact CA-O 3.34Å; T43-R256 PolarHBondContact OG1-O 3.04Å; E44-R256 HydrophobicContact CB-CB 4.26Å; E44-R256 PolarHBondContact N-O 2.87Å; E44-R256 PolarHBondContact O-N 3.43Å; A235-R256 CarbonylContact O-C 3.55Å; A235-R256 VanDerWaalsContact O-CA 3.25Å; A235-R256 WeakPolarHBondContact O-CA 3.15Å; E236-R256 HydrophobicContact CG-CG 4.38Å; E236-R256 IonicContact OE2-CZ 2.62Å; E236-R256 IonicContact OE2-NE 2.91Å; E236-R256 PolarHBondContact OE2-NE 3.43Å; E236-R256 IonicContact OE2-NH2 3.84Å; E236-R256 PolarHBondContact OE2-NH2 3.47Å; L254-R256 HydrophobicContact CD1-CG 3.96Å; L254-R256 HydrophobicContact CG-CG 4.48Å
257	Q	96.2	Very high	90.8	Very high	8 Å²	8	42.6 Å²	42.6	4%	0.037	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	140.3	166.6	-51.9	172	-88	0	0	108.8	Y41 T42 G154 L158 A235	Y41-Q257 HydrophobicContact CE2-CB 4.16Å; Y41-Q257 PolarHBondContact OH-NE2 3.05Å; T42-Q257 CarbonylContact O-C 3.53Å; T42-Q257 WeakPolarHBondContact O-CA 3.38Å; G154-Q257 PolarHBondContact O-NE2 2.04Å; L158-Q257 HydrophobicContact CD1-CB 3.94Å; A235-Q257 HydrophobicContact CB-CB 4.09Å; A235-Q257 HydrophobicContact CB-CG 4.48Å; A235-Q257 PolarHBondContact N-O 3.28Å; A235-Q257 PolarHBondContact O-N 2.89Å
258	S	96.6	Very high	91.3	Very high	32 Å²	32	42.2 Å²	42.2	22%	0.224	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.4	168.2	-168.5	0	0	0	0	108.9	Y41 T42 A233	Y41-S258 CarbonylContact C-O 3.6Å; Y41-S258 WeakPolarHBondContact CA-O 3.37Å; Y41-S258 WeakPolarHBondContact CD2-O 3.26Å; T42-S258 PolarHBondContact N-O 3.05Å; T42-S258 PolarHBondContact O-N 3.41Å; T42-S258 WeakPolarHBondContact OG1-CB 3.16Å; A233-S258 WeakPolarHBondContact O-CA 3.41Å
259	L	95.9	Very high	91.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	116	172.4	-176.6	72	0	0	0	107.2	F39 S40 Y41 L158 L159 S232 A233	F39-L259 HydrophobicContact CB-CD1 3.62Å; F39-L259 HydrophobicContact CB-CG 4.24Å; F39-L259 HydrophobicContact CD1-CD1 4.08Å; F39-L259 HydrophobicContact CD1-CD2 4.26Å; F39-L259 HydrophobicContact CD1-CG 3.73Å; F39-L259 HydrophobicContact CE1-CD2 4.43Å; F39-L259 HydrophobicContact CE1-CG 4.32Å; F39-L259 HydrophobicContact CG-CD1 4Å; F39-L259 HydrophobicContact CG-CG 4.16Å; S40-L259 WeakPolarHBondContact O-CA 3.45Å; Y41-L259 HydrophobicContact CD2-CB 4.32Å; Y41-L259 HydrophobicContact CD2-CD1 4.03Å; Y41-L259 HydrophobicContact CG-CD1 4.43Å; L158-L259 HydrophobicContact CB-CD2 4.35Å; L158-L259 HydrophobicContact CD1-CB 4.05Å; L159-L259 HydrophobicContact CD2-CD2 3.99Å; S232-L259 CarbonylContact C-O 3.57Å; S232-L259 WeakPolarHBondContact CA-O 3.44Å; A233-L259 HydrophobicContact CB-CB 4.28Å; A233-L259 PolarHBondContact N-O 2.86Å; A233-L259 PolarHBondContact O-N 3.4Å
260	V	96.3	Very high	91.6	Very high	56 Å²	56	50.2 Å²	50.2	34%	0.339	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128	-172.6	-176.1	0	0	0	0	110.2	F39 S40 L262	F39-V260 CarbonylContact C-O 3.57Å; F39-V260 WeakPolarHBondContact CA-O 3.45Å; S40-V260 PolarHBondContact N-O 2.93Å; S40-V260 PolarHBondContact O-N 2.94Å; V260-L262 PolarHBondContact O-N 3.17Å
261	L	94.3	Very high	91.4	Very high	34 Å²	34	52.5 Å²	52.5	18%	0.178	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	122	178.1	-175.3	67.8	0	0	0	110.1	Y37 F39 R231	Y37-L261 HydrophobicContact CD1-CD1 4.07Å; F39-L261 HydrophobicContact CD1-CB 4.04Å; F39-L261 HydrophobicContact CD1-CD1 4.25Å; F39-L261 HydrophobicContact CD2-CD1 4.29Å; F39-L261 HydrophobicContact CE1-CB 3.85Å; F39-L261 HydrophobicContact CE1-CD1 3.96Å; F39-L261 HydrophobicContact CE1-CG 4.49Å; F39-L261 HydrophobicContact CE2-CD1 4.01Å; F39-L261 HydrophobicContact CG-CD1 4.42Å; F39-L261 HydrophobicContact CZ-CD1 3.86Å; R231-L261 PolarHBondContact O-N 2.84Å
262	L	93.6	Very high	90.7	Very high	114 Å²	114	57.4 Å²	57.4	60%	0.597	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	-35.3	176.8	-59.3	177.9	0	0	0	112.2	K38 V260	K38-L262 WeakPolarHBondContact O-CB 3.47Å; K38-L262 PolarHBondContact O-N 2.86Å; V260-L262 PolarHBondContact O-N 3.17Å
263	G	91.3	Very high	90.1	Very high	28 Å²	28	55.2 Å²	55.2	29%	0.289	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	178.8	175.2	-175.9	0	0	0	0	0	114.3	K38	K38-G263 PolarHBondContact N-O 3.04Å; K38-G263 PolarHBondContact O-N 3.5Å
264	K	91.7	Very high	89.3	Confident	101 Å²	101	64.9 Å²	64.9	44%	0.439	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	131.7	178.5	-58	173.2	-171.3	169	0	108.4	L36 Y37	L36-K264 CarbonylContact O-C 3.58Å; L36-K264 WeakPolarHBondContact O-CA 3.15Å; Y37-K264 HydrophobicContact CD1-CG 4.09Å; Y37-K264 HydrophobicContact CE1-CD 4.23Å; Y37-K264 HydrophobicContact CE1-CG 4.23Å
265	E	91.9	Very high	88.8	Confident	97 Å²	97	68 Å²	68	45%	0.453	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	171.2	178.9	-76	174.4	-161.2	0	0	110.8	Q35 L36 K38 G267	Q35-E265 WeakPolarHBondContact CA-O 2.88Å; L36-E265 HydrophobicContact CB-CB 4.37Å; L36-E265 PolarHBondContact N-O 3.01Å; L36-E265 PolarHBondContact O-N 2.84Å; K38-E265 VanDerWaalsContact CE-CD 3.42Å; K38-E265 VanDerWaalsContact CE-OE1 3.31Å; K38-E265 WeakPolarHBondContact CE-OE1 3.46Å; K38-E265 WeakPolarHBondContact CE-OE2 3.32Å; K38-E265 IonicContact NZ-OE1 3.52Å; K38-E265 PolarHBondContact NZ-OE1 3.12Å; K38-E265 IonicContact NZ-OE2 3.52Å; K38-E265 PolarHBondContact NZ-OE2 2.93Å; E265-G267 PolarHBondContact O-N 2.89Å
266	A	88.4	Confident	88.3	Confident	96 Å²	96	69.1 Å²	69.1	79%	0.793	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	123	171.5	0	0	0	0	0	110.1
267	G	85.4	Confident	87.7	Confident	19 Å²	19	66.9 Å²	66.9	20%	0.196	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-98.5	171.7	-179.9	0	0	0	0	0	113.6	N34 E265	N34-G267 PolarHBondContact O-N 3.5Å; E265-G267 PolarHBondContact O-N 2.89Å
268	P	86.4	Confident	87	Confident	68 Å²	68	68 Å²	68	44%	0.442	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-63.7	158.4	173.1	29.7	-35.8	0	0	0	111.7	N69	N69-P268 HydrophobicContact CB-CG 4.29Å
269	L	84.5	Confident	86.5	Confident	135 Å²	135	66.6 Å²	66.6	71%	0.707	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-70.1	149.7	173.3	-65.3	172.4	0	0	0	111.3
270	E	83.9	Confident	86.1	Confident	64 Å²	64	66.8 Å²	66.8	30%	0.299	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-66.5	142	174.4	-73.5	166.7	-96.2	0	0	112.5	N33 L70 V71	N33-E270 WeakPolarHBondContact CB-OE1 3.29Å; N33-E270 VanDerWaalsContact CG-OE1 3.26Å; N33-E270 PolarHBondContact ND2-OE1 2.92Å; L70-E270 HydrophobicContact CD2-CG 4.06Å; L70-E270 WeakPolarHBondContact CD2-OE2 3.44Å; L70-E270 HydrophobicContact CG-CG 4.21Å; V71-E270 CarbonylContact O-C 3.59Å; V71-E270 WeakPolarHBondContact O-CA 3.13Å
271	V	83.6	Confident	85.6	Confident	48 Å²	48	71.3 Å²	71.3	29%	0.291	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-83.3	121.8	178.1	-179.2	0	0	0	0	109.6	V71 G273 V279 V283	V71-V271 HydrophobicContact CG1-CB 4.38Å; V71-V271 HydrophobicContact CG1-CG2 3.96Å; V71-V271 PolarHBondContact O-N 2.85Å; V271-G273 PolarHBondContact O-N 3.07Å; V271-V279 HydrophobicContact CB-CG1 4.26Å; V271-V279 HydrophobicContact CG1-CG1 4.25Å; V271-V283 HydrophobicContact CG2-CG2 4.34Å
272	A	77.1	Confident	85.2	Confident	104 Å²	104	73.4 Å²	73.4	86%	0.86	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-71.5	125.6	178.2	0	0	0	0	0	111.9
273	G	78.1	Confident	84.9	Confident	31 Å²	31	70.5 Å²	70.5	32%	0.32	42%	0.424	S	S	.	.			trans	-169.4	154	175.5	0	0	0	0	0	112.5	W72 V271	W72-G273 PolarHBondContact NE1-O 3.48Å; V271-G273 PolarHBondContact O-N 3.07Å
274	K	77.6	Confident	84.6	Confident	203 Å²	203	71.3 Å²	71.3	88%	0.883	42%	0.422	S	S	*	.	S	Bend	trans	-88.6	-24.7	177.2	-68.1	-171.7	177.8	-178.1	0	113.2
275	D	82.1	Confident	84.2	Confident	86 Å²	86	69.5 Å²	69.5	46%	0.46	43%	0.432	S	S	.	.	S	Bend	trans	-137	148	-176.2	78.1	-75.8	0	0	0	112	A277 G278 V279	D275-A277 VanDerWaalsContact C-N 3.3Å; D275-A277 PolarHBondContact O-N 2.91Å; D275-A277 WeakPolarHBondContact OD2-CA 3.49Å; D275-A277 WeakPolarHBondContact OD2-CB 3.37Å; D275-A277 PolarHBondContact OD2-N 3.25Å; D275-A277 VanDerWaalsContact OD2-N 3.12Å; D275-G278 PolarHBondContact O-N 2.89Å; D275-G278 PolarHBondContact OD2-N 2.99Å; D275-V279 WeakPolarHBondContact O-CG2 3.4Å; D275-V279 PolarHBondContact O-N 3.31Å; D275-V279 VanDerWaalsContact O-N 3.1Å
276	I	83.5	Confident	84	Confident	26 Å²	26	72.5 Å²	72.5	13%	0.133	44%	0.443	C	S	.	.	H	α-helix	trans	-67.7	-30.1	-174.9	-61.6	170.9	0	0	0	111.8	W72 L82 H129 Y139 V279 V280	W72-I276 HydrophobicContact CE3-CD1 4.47Å; W72-I276 HydrophobicContact CE3-CG1 3.96Å; W72-I276 HydrophobicContact CH2-CD1 3.9Å; W72-I276 HydrophobicContact CH2-CG1 3.49Å; W72-I276 VanDerWaalsContact CH2-CG1 3.49Å; W72-I276 HydrophobicContact CZ2-CG1 4.18Å; W72-I276 HydrophobicContact CZ3-CD1 3.62Å; W72-I276 HydrophobicContact CZ3-CG1 3.39Å; L82-I276 HydrophobicContact CD1-CG2 4.26Å; L82-I276 HydrophobicContact CD2-CG2 4.44Å; H129-I276 WeakPolarHBondContact CE1-CD1 3.48Å; H129-I276 WeakPolarHBondContact NE2-CD1 3.22Å; Y139-I276 HydrophobicContact CE2-CG2 4.33Å; I276-V279 PolarHBondContact O-N 2.95Å; I276-V280 HydrophobicContact CG2-CG2 4.03Å; I276-V280 WeakPolarHBondContact O-CB 3.21Å; I276-V280 VanDerWaalsContact O-CG2 3.24Å; I276-V280 WeakPolarHBondContact O-CG2 3.29Å; I276-V280 PolarHBondContact O-N 3.45Å
277	A	82.6	Confident	83.9	Confident	55 Å²	55	68.7 Å²	68.7	46%	0.455	41%	0.409	S	S	.	.	H	α-helix	trans	-72	-38.2	-179	0	0	0	0	0	111.7	D275 K281	D275-A277 VanDerWaalsContact C-N 3.3Å; D275-A277 PolarHBondContact O-N 2.91Å; D275-A277 WeakPolarHBondContact OD2-CA 3.49Å; D275-A277 WeakPolarHBondContact OD2-CB 3.37Å; D275-A277 PolarHBondContact OD2-N 3.25Å; D275-A277 VanDerWaalsContact OD2-N 3.12Å; A277-K281 WeakPolarHBondContact O-CB 3.44Å; A277-K281 VanDerWaalsContact O-CG 3.28Å; A277-K281 WeakPolarHBondContact O-CG 3.48Å; A277-K281 PolarHBondContact O-N 2.82Å
278	G	83.1	Confident	84	Confident	31 Å²	31	68.8 Å²	68.8	32%	0.32	41%	0.408	S	S	.	.	H	α-helix	trans	-61.9	-48.6	168.4	0	0	0	0	0	112	D275 K281 S282	D275-G278 PolarHBondContact O-N 2.89Å; D275-G278 PolarHBondContact OD2-N 2.99Å; G278-K281 PolarHBondContact O-N 3.15Å; G278-S282 WeakPolarHBondContact O-CB 3.45Å; G278-S282 PolarHBondContact O-N 2.69Å; G278-S282 PolarHBondContact O-OG 3.22Å
279	V	85.8	Confident	84.1	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.012	41%	0.41	C	S	.	.	H	α-helix	trans	-60.2	-51.5	178.7	174.6	0	0	0	0	111.6	V71 W72 L82 V271 D275 I276 K281 S282 V283	V71-V279 HydrophobicContact CG1-CG1 4.2Å; W72-V279 HydrophobicContact CB-CG1 3.91Å; W72-V279 HydrophobicContact CB-CG2 4.46Å; W72-V279 HydrophobicContact CG-CG1 4.3Å; W72-V279 HydrophobicContact CG-CG2 4.01Å; L82-V279 HydrophobicContact CD2-CB 4.46Å; L82-V279 HydrophobicContact CD2-CG1 3.72Å; V271-V279 HydrophobicContact CB-CG1 4.26Å; V271-V279 HydrophobicContact CG1-CG1 4.25Å; D275-V279 WeakPolarHBondContact O-CG2 3.4Å; D275-V279 PolarHBondContact O-N 3.31Å; D275-V279 VanDerWaalsContact O-N 3.1Å; I276-V279 PolarHBondContact O-N 2.95Å; V279-K281 VanDerWaalsContact C-N 3.3Å; V279-K281 PolarHBondContact O-N 3.16Å; V279-S282 WeakPolarHBondContact CA-OG 3.2Å; V279-S282 PolarHBondContact O-N 3.2Å; V279-S282 PolarHBondContact O-OG 3.4Å; V279-V283 WeakPolarHBondContact O-CG2 3.44Å; V279-V283 PolarHBondContact O-N 2.81Å
280	V	87.1	Confident	84	Confident	5 Å²	5	62.8 Å²	62.8	3%	0.03	38%	0.382	C	S	.	.	H	α-helix	trans	-57.7	-42.8	179.1	170.5	0	0	0	0	111.4	L82 L127 Y139 I276 S282 V283 D284 L287	L82-V280 HydrophobicContact CD1-CG2 4.36Å; L82-V280 HydrophobicContact CD2-CG2 3.9Å; L127-V280 HydrophobicContact CD1-CB 4.46Å; L127-V280 HydrophobicContact CD1-CG1 4.33Å; L127-V280 HydrophobicContact CD1-CG2 3.98Å; Y139-V280 HydrophobicContact CD1-CB 4.5Å; Y139-V280 HydrophobicContact CD1-CG1 3.81Å; Y139-V280 HydrophobicContact CD1-CG2 4.09Å; Y139-V280 HydrophobicContact CD2-CG2 4.27Å; Y139-V280 HydrophobicContact CE1-CG1 4.24Å; Y139-V280 HydrophobicContact CE1-CG2 4.01Å; Y139-V280 HydrophobicContact CE2-CG2 4.2Å; Y139-V280 HydrophobicContact CG-CG1 4.28Å; Y139-V280 HydrophobicContact CG-CG2 4.21Å; I276-V280 HydrophobicContact CG2-CG2 4.03Å; I276-V280 WeakPolarHBondContact O-CB 3.21Å; I276-V280 VanDerWaalsContact O-CG2 3.24Å; I276-V280 WeakPolarHBondContact O-CG2 3.29Å; I276-V280 PolarHBondContact O-N 3.45Å; V280-S282 VanDerWaalsContact C-N 3.33Å; V280-S282 PolarHBondContact O-N 3.15Å; V280-V283 PolarHBondContact O-N 2.85Å; V280-D284 PolarHBondContact O-N 3.14Å; V280-D284 VanDerWaalsContact O-N 3.12Å; V280-L287 HydrophobicContact CG1-CB 3.89Å
281	K	85.7	Confident	83.8	Confident	151 Å²	151	61.3 Å²	61.3	66%	0.657	38%	0.384	S	S	*	.	H	α-helix	trans	-64.9	-33.5	175.6	-77.2	176.6	177.1	-178.5	0	113.4	A277 G278 V279 D284 G285	A277-K281 WeakPolarHBondContact O-CB 3.44Å; A277-K281 VanDerWaalsContact O-CG 3.28Å; A277-K281 WeakPolarHBondContact O-CG 3.48Å; A277-K281 PolarHBondContact O-N 2.82Å; G278-K281 PolarHBondContact O-N 3.15Å; V279-K281 VanDerWaalsContact C-N 3.3Å; V279-K281 PolarHBondContact O-N 3.16Å; K281-D284 CarbonylContact O-C 3.55Å; K281-G285 PolarHBondContact O-N 3.17Å
282	S	86.6	Confident	83.5	Confident	77 Å²	77	59.9 Å²	59.9	54%	0.538	38%	0.375	S	S	.	.	H	α-helix	trans	-74	-25.8	177.6	72.1	0	0	0	0	113.3	G278 V279 V280	G278-S282 WeakPolarHBondContact O-CB 3.45Å; G278-S282 PolarHBondContact O-N 2.69Å; G278-S282 PolarHBondContact O-OG 3.22Å; V279-S282 WeakPolarHBondContact CA-OG 3.2Å; V279-S282 PolarHBondContact O-N 3.2Å; V279-S282 PolarHBondContact O-OG 3.4Å; V280-S282 VanDerWaalsContact C-N 3.33Å; V280-S282 PolarHBondContact O-N 3.15Å
283	V	86.3	Confident	83.4	Confident	54 Å²	54	58.3 Å²	58.3	33%	0.327	36%	0.355	S	S	.	.	H	α-helix	trans	-75.9	-52.7	173.1	174.1	0	0	0	0	111	V71 L127 V271 V279 V280 L287	V71-V283 HydrophobicContact CG1-CG2 3.91Å; L127-V283 HydrophobicContact CD1-CB 4.4Å; L127-V283 HydrophobicContact CD1-CG1 4.27Å; V271-V283 HydrophobicContact CG2-CG2 4.34Å; V279-V283 WeakPolarHBondContact O-CG2 3.44Å; V279-V283 PolarHBondContact O-N 2.81Å; V280-V283 PolarHBondContact O-N 2.85Å; V283-L287 HydrophobicContact CG1-CD1 4.4Å
284	D	85.7	Confident	83.2	Confident	45 Å²	45	57.7 Å²	57.7	24%	0.241	35%	0.345	C	S	.	.			trans	-159	117.1	168.2	-174.5	-20.3	0	0	0	109.8	Y141 V280 K281 K286 L287	Y141-D284 WeakPolarHBondContact CE1-OD2 3.46Å; Y141-D284 PolarHBondContact OH-OD2 2.75Å; V280-D284 PolarHBondContact O-N 3.14Å; V280-D284 VanDerWaalsContact O-N 3.12Å; K281-D284 CarbonylContact O-C 3.55Å; D284-K286 PolarHBondContact O-N 2.69Å; D284-K286 VanDerWaalsContact OD1-CB 3.31Å; D284-K286 WeakPolarHBondContact OD1-CB 3.41Å; D284-K286 PolarHBondContact OD1-N 2.58Å; D284-L287 HydrophobicContact CB-CD1 4Å; D284-L287 HydrophobicContact CB-CG 4.07Å; D284-L287 WeakPolarHBondContact O-CB 3.44Å; D284-L287 PolarHBondContact O-N 2.66Å
285	G	83.3	Confident	83.1	Confident	63 Å²	63	50.6 Å²	50.6	65%	0.649	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-6.9	178.7	0	0	0	0	0	115.6	K281	K281-G285 PolarHBondContact O-N 3.17Å
286	K	87.6	Confident	82.5	Confident	160 Å²	160	52.3 Å²	52.3	70%	0.696	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-7.1	174.4	-59.7	165	-174.5	165.1	0	113.5	Y141 D284	Y141-K286 HydrophobicContact CD1-CB 3.86Å; Y141-K286 HydrophobicContact CE1-CB 3.85Å; D284-K286 PolarHBondContact O-N 2.69Å; D284-K286 VanDerWaalsContact OD1-CB 3.31Å; D284-K286 WeakPolarHBondContact OD1-CB 3.41Å; D284-K286 PolarHBondContact OD1-N 2.58Å
287	L	87.1	Confident	81.7	Confident	16 Å²	16	52.4 Å²	52.4	8%	0.084	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	138.2	171.8	-72.3	169.9	0	0	0	110.6	L127 Y141 V280 V283 D284	L127-L287 HydrophobicContact CD1-CD1 3.75Å; L127-L287 HydrophobicContact CG-CD1 4.05Å; Y141-L287 HydrophobicContact CD1-CD2 4.25Å; Y141-L287 HydrophobicContact CD2-CD2 3.94Å; Y141-L287 HydrophobicContact CE1-CD2 4.02Å; Y141-L287 HydrophobicContact CE1-CG 4.12Å; Y141-L287 HydrophobicContact CE2-CD2 3.68Å; Y141-L287 HydrophobicContact CG-CD2 4.22Å; V280-L287 HydrophobicContact CG1-CB 3.89Å; V283-L287 HydrophobicContact CG1-CD1 4.4Å; D284-L287 HydrophobicContact CB-CD1 4Å; D284-L287 HydrophobicContact CB-CG 4.07Å; D284-L287 WeakPolarHBondContact O-CB 3.44Å; D284-L287 PolarHBondContact O-N 2.66Å
288	A	87.1	Confident	80.6	Confident	21 Å²	21	58.7 Å²	58.7	17%	0.174	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	154.5	179	0	0	0	0	0	111.5	Y139 S140 W142 V290	Y139-A288 CarbonylContact C-O 3.59Å; Y139-A288 VanDerWaalsContact CA-O 3.25Å; Y139-A288 WeakPolarHBondContact CA-O 3.44Å; S140-A288 PolarHBondContact N-O 2.85Å; S140-A288 PolarHBondContact O-N 2.94Å; S140-A288 VanDerWaalsContact O-O 3.13Å; W142-A288 HydrophobicContact CG-CB 4.39Å; W142-A288 HydrophobicContact CZ2-CB 4.45Å; A288-V290 VanDerWaalsContact O-CG2 3.29Å; A288-V290 WeakPolarHBondContact O-CG2 3.04Å; A288-V290 PolarHBondContact O-N 2.91Å
289	A	87.6	Confident	79.3	Confident	58 Å²	58	61.4 Å²	61.4	48%	0.479	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	107.3	174.6	0	0	0	0	0	109.8	F138 Y139	F138-A289 WeakPolarHBondContact O-CA 3.5Å; Y139-A289 HydrophobicContact CD1-CB 3.97Å; Y139-A289 HydrophobicContact CE1-CB 3.79Å
290	V	82.8	Confident	77.7	Confident	18 Å²	18	69.2 Å²	69.2	11%	0.109	38%	0.383	C	S	.	.			trans	-99.5	2.5	-178.6	-147	0	0	0	0	112.2	F138 W142 K149 R153 A288 E295	F138-V290 PolarHBondContact O-N 3.03Å; W142-V290 HydrophobicContact CE3-CG1 4.15Å; W142-V290 HydrophobicContact CH2-CG1 4.25Å; W142-V290 HydrophobicContact CZ3-CG1 3.8Å; K149-V290 HydrophobicContact CD-CG1 4.19Å; R153-V290 PolarHBondContact NH2-O 2.91Å; A288-V290 VanDerWaalsContact O-CG2 3.29Å; A288-V290 WeakPolarHBondContact O-CG2 3.04Å; A288-V290 PolarHBondContact O-N 2.91Å; V290-E295 WeakPolarHBondContact CG1-OE1 3.1Å
291	G	79.4	Confident	76.4	Confident	33 Å²	33	72.8 Å²	72.8	34%	0.34	41%	0.408	S	S	.	.			trans	76.4	156.1	179.1	0	0	0	0	0	114.4	R153	R153-G291 PolarHBondContact NE-O 3.38Å; R153-G291 PolarHBondContact NH2-O 2.95Å
292	V	76.6	Confident	74.8	Confident	18 Å²	18	75 Å²	75	11%	0.109	42%	0.417	C	S	.	.	S	Bend	trans	-80.2	-31.5	-177	-168.4	0	0	0	0	112	I135 F138 R153	I135-V292 HydrophobicContact CB-CG1 4.49Å; I135-V292 HydrophobicContact CB-CG2 4.42Å; I135-V292 HydrophobicContact CG2-CG1 4.19Å; I135-V292 HydrophobicContact CG2-CG2 3.62Å; F138-V292 HydrophobicContact CB-CG2 4.45Å; R153-V292 WeakPolarHBondContact CD-O 3.45Å
293	V	75.6	Confident	73.5	Confident	71 Å²	71	75.2 Å²	75.2	43%	0.43	43%	0.431	S	S	.	.	S	Bend	trans	-64.5	140.1	177.2	179.4	0	0	0	0	109.9	R153	R153-V293 PolarHBondContact NE-O 2.59Å
294	P	73.9	Confident	72.7	Confident	19 Å²	19	76.3 Å²	76.3	12%	0.123	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-60.9	151.3	178.1	29.5	-42.4	0	0	0	113.1	N150 V173 Q777	N150-P294 WeakPolarHBondContact OD1-CA 3.29Å; V173-P294 VanDerWaalsContact O-CD 3.31Å; V173-P294 WeakPolarHBondContact O-CD 3.44Å; P294-Q777 HydrophobicContact CB-CG 4.26Å; P294-Q777 HydrophobicContact CG-CG 4.01Å
295	E	75	Confident	72.3	Confident	54 Å²	54	77.8 Å²	77.8	25%	0.252	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-89.2	139.8	171.4	-78.7	161.3	-101.8	0	0	111.5	A146 K149 N150 R153 V290 L297	A146-E295 HydrophobicContact CB-CB 3.75Å; K149-E295 WeakPolarHBondContact CD-OE1 3.3Å; K149-E295 WeakPolarHBondContact CE-OE1 2.95Å; K149-E295 VanDerWaalsContact CE-OE2 3.29Å; K149-E295 WeakPolarHBondContact CE-OE2 3.45Å; K149-E295 IonicContact NZ-OE1 3.66Å; K149-E295 PolarHBondContact NZ-OE1 3.08Å; K149-E295 IonicContact NZ-OE2 3.75Å; K149-E295 PolarHBondContact NZ-OE2 2.88Å; N150-E295 PolarHBondContact ND2-O 2.88Å; N150-E295 PolarHBondContact OD1-N 2.84Å; N150-E295 VanDerWaalsContact OD1-N 3.12Å; R153-E295 IonicContact CZ-OE1 3.36Å; R153-E295 VanDerWaalsContact CZ-OE1 3.29Å; R153-E295 IonicContact NH1-OE1 2.93Å; R153-E295 PolarHBondContact NH1-OE1 2.94Å; R153-E295 IonicContact NH2-OE1 2.77Å; R153-E295 PolarHBondContact NH2-OE1 3.16Å; V290-E295 WeakPolarHBondContact CG1-OE1 3.1Å; E295-L297 PolarHBondContact O-N 2.88Å
296	K	71.3	Confident	72.6	Confident	121 Å²	121	76.8 Å²	76.8	53%	0.526	44%	0.436	S	S	.	.			trans	-68.8	115.9	-179.8	-69	-170.2	175.9	-171.4	0	111.7	S200 E201	S200-K296 WeakPolarHBondContact O-CE 2.99Å; S200-K296 PolarHBondContact O-NZ 3.04Å; S200-K296 WeakPolarHBondContact OG-CE 3.46Å; E201-K296 HydrophobicContact CG-CG 4.45Å
297	L	65.7	Low	72.7	Confident	29 Å²	29	69.6 Å²	69.6	15%	0.152	41%	0.405	C	S	.	.			trans	-77.2	125.7	173.9	-74	163.1	0	0	0	111.5	A146 T147 E295 K783	A146-L297 HydrophobicContact CB-CD2 3.72Å; A146-L297 HydrophobicContact CB-CG 4.31Å; T147-L297 WeakPolarHBondContact OG1-CD2 3.45Å; E295-L297 PolarHBondContact O-N 2.88Å; L297-K783 HydrophobicContact CB-CD 4.33Å; L297-K783 HydrophobicContact CD1-CB 4.19Å; L297-K783 HydrophobicContact CD1-CD 4.35Å
298	K	59.2	Low	72.9	Confident	186 Å²	186	71.3 Å²	71.3	81%	0.809	41%	0.412	S	S	*	.			trans	-97.2	102.9	167.1	-71	-172.4	177.3	-174.5	0	108.9	Q300	K298-Q300 PolarHBondContact O-N 2.86Å
299	T	56.1	Low	73.2	Confident	89 Å²	89	75 Å²	75	55%	0.546	43%	0.425	S	S	.	.			trans	-66.4	93.6	175.9	48.1	0	0	0	0	111	C301	T299-C301 PolarHBondContact O-N 3.1Å; T299-C301 VanDerWaalsContact O-N 3.14Å
300	Q	51.8	Low	73.3	Confident	166 Å²	166	74.3 Å²	74.3	78%	0.776	41%	0.412	S	S	*	.			trans	-75.9	95.2	172.5	-71.8	-174.2	-14.7	0	0	110.2	K298 K302	K298-Q300 PolarHBondContact O-N 2.86Å; Q300-K302 PolarHBondContact O-N 2.8Å; Q300-K302 VanDerWaalsContact O-N 3.17Å
301	C	60	Low	73.8	Confident	80 Å²	80	73.6 Å²	73.6	54%	0.541	41%	0.408	S	S	.	.			trans	-69.2	110.9	172.9	-172.8	0	0	0	0	110.6	T299 C304	T299-C301 PolarHBondContact O-N 3.1Å; T299-C301 VanDerWaalsContact O-N 3.14Å; C301-C304 HydrophobicContact CB-CB 3.77Å; C301-C304 WeakPolarHBondContact CB-SG 3.36Å; C301-C304 WeakPolarHBondContact SG-CB 3.5Å; C301-C304 PolarHBondContact SG-N 2.87Å; C301-C304 CovalentContact SG-SG 2.03Å; C301-C304 PolarHBondContact SG-SG 3.19Å
302	K	52.6	Low	74.5	Confident	196 Å²	196	77.8 Å²	77.8	85%	0.852	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	117.8	170.3	-66.9	-175.6	177.3	-176.1	0	109	Q300	Q300-K302 PolarHBondContact O-N 2.8Å; Q300-K302 VanDerWaalsContact O-N 3.17Å
303	G	59.5	Low	75.2	Confident	82 Å²	82	79.8 Å²	79.8	85%	0.845	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	21.1	178.6	0	0	0	0	0	115.3
304	C	68.3	Low	76	Confident	78 Å²	78	76.7 Å²	76.7	53%	0.527	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-66.2	142.9	160.4	-84.8	0	0	0	0	109.6	C301	C301-C304 HydrophobicContact CB-CB 3.77Å; C301-C304 WeakPolarHBondContact CB-SG 3.36Å; C301-C304 WeakPolarHBondContact SG-CB 3.5Å; C301-C304 PolarHBondContact SG-N 2.87Å; C301-C304 CovalentContact SG-SG 2.03Å; C301-C304 PolarHBondContact SG-SG 3.19Å
305	P	78.6	Confident	76.9	Confident	76 Å²	76	78.3 Å²	78.3	49%	0.494	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-65.8	152.5	174.2	28.8	-35.1	0	0	0	111.3	E309	P305-E309 WeakPolarHBondContact CA-OE2 3.41Å; P305-E309 HydrophobicContact CB-CB 3.9Å; P305-E309 WeakPolarHBondContact CB-OE2 3.39Å
306	S	88.4	Confident	77.8	Confident	41 Å²	41	83.9 Å²	83.9	29%	0.287	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-66.7	162.9	171.8	74.4	0	0	0	0	111.9	F308 E309 H310	S306-F308 PolarHBondContact O-N 2.71Å; S306-F308 VanDerWaalsContact O-N 3.16Å; S306-F308 PolarHBondContact OG-N 3.21Å; S306-E309 WeakPolarHBondContact CB-OE1 3.49Å; S306-E309 PolarHBondContact N-OE1 2.73Å; S306-E309 PolarHBondContact N-OE2 2.83Å; S306-E309 PolarHBondContact O-N 3.17Å; S306-E309 PolarHBondContact OG-N 3.42Å; S306-E309 PolarHBondContact OG-OE1 2.72Å; S306-H310 PolarHBondContact O-N 3.18Å
307	L	91	Very high	78.8	Confident	9 Å²	9	81 Å²	81	5%	0.047	44%	0.436	C	S	.	.	H	α-helix	trans	-55.2	-34.5	174.7	-176.7	69	0	0	0	111.8	W311 F335 I339 A342 E346 I347 V350	L307-W311 WeakPolarHBondContact O-CB 3Å; L307-W311 PolarHBondContact O-N 3.22Å; L307-F335 HydrophobicContact CD1-CD2 4.26Å; L307-F335 HydrophobicContact CD1-CE2 3.67Å; L307-F335 HydrophobicContact CD1-CZ 4.42Å; L307-F335 HydrophobicContact CG-CE2 4.29Å; L307-I339 HydrophobicContact CD1-CG1 3.89Å; L307-A342 HydrophobicContact CB-CB 4.32Å; L307-A342 HydrophobicContact CD1-CB 4.49Å; L307-A342 HydrophobicContact CD2-CB 3.77Å; L307-A342 HydrophobicContact CG-CB 4.41Å; L307-E346 HydrophobicContact CB-CB 4.49Å; L307-E346 HydrophobicContact CD2-CB 4.1Å; L307-I347 HydrophobicContact CD2-CG1 3.86Å; L307-V350 HydrophobicContact CD2-CG2 4.05Å; L307-V350 HydrophobicContact CG-CG2 4.07Å
308	F	91.2	Very high	80	Confident	53 Å²	53	79.7 Å²	79.7	23%	0.232	43%	0.429	C	S	.	.	H	α-helix	trans	-73.9	-40.1	-179	-167.3	-95.4	0	0	0	112.5	S306 W311 Q312 K349 V350	S306-F308 PolarHBondContact O-N 2.71Å; S306-F308 VanDerWaalsContact O-N 3.16Å; S306-F308 PolarHBondContact OG-N 3.21Å; F308-W311 WeakPolarHBondContact O-CB 2.82Å; F308-W311 PolarHBondContact O-N 2.86Å; F308-Q312 HydrophobicContact CD1-CG 4.32Å; F308-Q312 HydrophobicContact CE1-CG 4.1Å; F308-Q312 WeakPolarHBondContact O-CG 3.47Å; F308-Q312 PolarHBondContact O-N 2.86Å; F308-K349 HydrophobicContact CD2-CD 4.15Å; F308-K349 HydrophobicContact CD2-CG 4.17Å; F308-K349 HydrophobicContact CE2-CG 4.4Å; F308-V350 HydrophobicContact CD2-CG2 4.24Å
309	E	91.8	Very high	81.5	Confident	98 Å²	98	73.5 Å²	73.5	46%	0.458	40%	0.403	S	S	.	.	H	α-helix	trans	-63.4	-41.6	171.9	-73	141.7	-121.8	0	0	111.4	P305 S306 Q312 A313	P305-E309 WeakPolarHBondContact CA-OE2 3.41Å; P305-E309 HydrophobicContact CB-CB 3.9Å; P305-E309 WeakPolarHBondContact CB-OE2 3.39Å; S306-E309 WeakPolarHBondContact CB-OE1 3.49Å; S306-E309 PolarHBondContact N-OE1 2.73Å; S306-E309 PolarHBondContact N-OE2 2.83Å; S306-E309 PolarHBondContact O-N 3.17Å; S306-E309 PolarHBondContact OG-N 3.42Å; S306-E309 PolarHBondContact OG-OE1 2.72Å; E309-Q312 PolarHBondContact O-N 2.89Å; E309-A313 PolarHBondContact O-N 3.26Å; E309-A313 VanDerWaalsContact O-N 3.12Å
310	H	91.4	Very high	83	Confident	44 Å²	44	71.2 Å²	71.2	20%	0.204	39%	0.389	C	S	.	.	H	α-helix	trans	-64.5	-43	175.9	-166.3	-177	0	0	0	111	S306 Q312 A313 V314 G334 S338	S306-H310 PolarHBondContact O-N 3.18Å; H310-Q312 PolarHBondContact O-N 3.13Å; H310-A313 WeakPolarHBondContact O-CB 3.41Å; H310-A313 PolarHBondContact O-N 3.3Å; H310-A313 VanDerWaalsContact O-N 3.09Å; H310-V314 WeakPolarHBondContact O-CG2 3.37Å; H310-V314 PolarHBondContact O-N 3.26Å; H310-V314 VanDerWaalsContact O-N 3.16Å; H310-G334 PolarHBondContact CE1-O 3.18Å; H310-G334 VanDerWaalsContact CE1-O 3.27Å; H310-S338 PolarHBondContact ND1-OG 3.2Å
311	W	93.5	Very high	84.6	Confident	3 Å²	3	67.3 Å²	67.3	1%	0.011	39%	0.386	C	S	.	.	H	α-helix	trans	-54.2	-50.7	173.1	169.8	-120.3	0	0	0	112.1	L307 F308 A313 V314 Q315 L318 F335 V350 A354 V362	L307-W311 WeakPolarHBondContact O-CB 3Å; L307-W311 PolarHBondContact O-N 3.22Å; F308-W311 WeakPolarHBondContact O-CB 2.82Å; F308-W311 PolarHBondContact O-N 2.86Å; W311-A313 PolarHBondContact O-N 2.88Å; W311-V314 HydrophobicContact CE3-CG2 4.06Å; W311-V314 PolarHBondContact O-N 2.89Å; W311-Q315 HydrophobicContact CD2-CB 4.41Å; W311-Q315 HydrophobicContact CE3-CB 4.5Å; W311-Q315 HydrophobicContact CH2-CB 3.98Å; W311-Q315 HydrophobicContact CH2-CG 3.78Å; W311-Q315 HydrophobicContact CZ2-CB 3.9Å; W311-Q315 HydrophobicContact CZ2-CG 3.54Å; W311-Q315 HydrophobicContact CZ3-CB 4.29Å; W311-Q315 PolarHBondContact O-N 2.85Å; W311-L318 HydrophobicContact CZ3-CD1 3.86Å; W311-F335 HydrophobicContact CB-CE2 3.99Å; W311-F335 HydrophobicContact CB-CZ 4.28Å; W311-F335 HydrophobicContact CD2-CZ 4.48Å; W311-F335 AromaticContact CE3-CE1 3.97Å; W311-F335 HydrophobicContact CE3-CE1 3.97Å; W311-F335 HydrophobicContact CE3-CE2 4.36Å; W311-F335 AromaticContact CE3-CZ 3.88Å; W311-F335 HydrophobicContact CE3-CZ 3.88Å; W311-F335 HydrophobicContact CZ3-CE1 4.39Å; W311-V350 HydrophobicContact CB-CG1 4.04Å; W311-V350 HydrophobicContact CB-CG2 4.1Å; W311-V350 HydrophobicContact CD2-CG1 3.68Å; W311-V350 HydrophobicContact CE3-CG1 4.26Å; W311-V350 HydrophobicContact CG-CG1 3.52Å; W311-V350 HydrophobicContact CG-CG2 4.3Å; W311-A354 HydrophobicContact CZ2-CB 3.89Å; W311-V362 HydrophobicContact CE3-CG2 4.15Å; W311-V362 HydrophobicContact CH2-CG2 3.23Å; W311-V362 HydrophobicContact CZ2-CG2 3.81Å; W311-V362 HydrophobicContact CZ3-CG2 3.42Å; W311-V362 VanDerWaalsContact CZ3-CG2 3.42Å
312	Q	92.6	Very high	85.9	Confident	120 Å²	120	64.9 Å²	64.9	56%	0.561	37%	0.37	S	S	*	.	H	α-helix	trans	-58.9	-30.6	177.4	-71.5	179.8	-55.9	0	0	113.1	F308 E309 H310	F308-Q312 HydrophobicContact CD1-CG 4.32Å; F308-Q312 HydrophobicContact CE1-CG 4.1Å; F308-Q312 WeakPolarHBondContact O-CG 3.47Å; F308-Q312 PolarHBondContact O-N 2.86Å; E309-Q312 PolarHBondContact O-N 2.89Å; H310-Q312 PolarHBondContact O-N 3.13Å
313	A	92.3	Very high	87.5	Confident	61 Å²	61	55.5 Å²	55.5	50%	0.504	33%	0.329	S	S	.	.	H	α-helix	trans	-79.7	-18.5	177.2	0	0	0	0	0	114.7	E309 H310 W311 Q317	E309-A313 PolarHBondContact O-N 3.26Å; E309-A313 VanDerWaalsContact O-N 3.12Å; H310-A313 WeakPolarHBondContact O-CB 3.41Å; H310-A313 PolarHBondContact O-N 3.3Å; H310-A313 VanDerWaalsContact O-N 3.09Å; W311-A313 PolarHBondContact O-N 2.88Å; A313-Q317 PolarHBondContact O-NE2 3.13Å; A313-Q317 PolarHBondContact O-OE1 3.29Å
314	V	93	Very high	88.7	Confident	6 Å²	6	53.2 Å²	53.2	4%	0.036	30%	0.3	C	S	.	.	H	α-helix	trans	-112.6	-15.3	-178	-58.9	0	0	0	0	115.2	H310 W311 K316 Q317 L318 F335	H310-V314 WeakPolarHBondContact O-CG2 3.37Å; H310-V314 PolarHBondContact O-N 3.26Å; H310-V314 VanDerWaalsContact O-N 3.16Å; W311-V314 HydrophobicContact CE3-CG2 4.06Å; W311-V314 PolarHBondContact O-N 2.89Å; V314-K316 VanDerWaalsContact C-N 3.29Å; V314-K316 PolarHBondContact O-N 3.25Å; V314-Q317 VanDerWaalsContact C-OE1 3.3Å; V314-Q317 WeakPolarHBondContact O-CB 3.42Å; V314-Q317 PolarHBondContact O-N 3.24Å; V314-Q317 PolarHBondContact O-OE1 3.21Å; V314-L318 HydrophobicContact CB-CD1 4.3Å; V314-L318 HydrophobicContact CG2-CD1 3.86Å; V314-L318 PolarHBondContact O-N 2.96Å; V314-F335 HydrophobicContact CG2-CB 4.31Å; V314-F335 HydrophobicContact CG2-CD2 4.26Å; V314-F335 HydrophobicContact CG2-CG 4.18Å
315	Q	92.4	Very high	89.7	Confident	52 Å²	52	54.5 Å²	54.5	24%	0.243	30%	0.296	C	S	.	.	H	α-helix	trans	-51.9	-43.7	-174.5	-179.2	174.7	5.6	0	0	113.1	W311 Q317 L318 E319 T358	W311-Q315 HydrophobicContact CD2-CB 4.41Å; W311-Q315 HydrophobicContact CE3-CB 4.5Å; W311-Q315 HydrophobicContact CH2-CB 3.98Å; W311-Q315 HydrophobicContact CH2-CG 3.78Å; W311-Q315 HydrophobicContact CZ2-CB 3.9Å; W311-Q315 HydrophobicContact CZ2-CG 3.54Å; W311-Q315 HydrophobicContact CZ3-CB 4.29Å; W311-Q315 PolarHBondContact O-N 2.85Å; Q315-Q317 VanDerWaalsContact C-N 3.29Å; Q315-Q317 PolarHBondContact O-N 2.89Å; Q315-L318 PolarHBondContact O-N 3.37Å; Q315-L318 VanDerWaalsContact O-N 3.1Å; Q315-E319 PolarHBondContact O-N 3.15Å; Q315-T358 HydrophobicContact CG-CG2 4.12Å
316	K	92.4	Very high	90.3	Very high	172 Å²	172	51.1 Å²	51.1	75%	0.748	28%	0.275	S	S	*	.	H	α-helix	trans	-65.6	-29.6	-178.6	-175.3	174.2	-179.5	175.9	0	113.4	V314 L318 S322	V314-K316 VanDerWaalsContact C-N 3.29Å; V314-K316 PolarHBondContact O-N 3.25Å; K316-L318 VanDerWaalsContact C-N 3.3Å; K316-S322 PolarHBondContact O-OG 2.91Å
317	Q	92.5	Very high	90.5	Very high	61 Å²	61	52.7 Å²	52.7	29%	0.285	28%	0.283	S	S	.	.	H	α-helix	trans	-79	-17.9	177.9	-60.7	87	-47.7	0	0	111.7	A313 V314 Q315 S322 A328	A313-Q317 PolarHBondContact O-NE2 3.13Å; A313-Q317 PolarHBondContact O-OE1 3.29Å; V314-Q317 VanDerWaalsContact C-OE1 3.3Å; V314-Q317 WeakPolarHBondContact O-CB 3.42Å; V314-Q317 PolarHBondContact O-N 3.24Å; V314-Q317 PolarHBondContact O-OE1 3.21Å; Q315-Q317 VanDerWaalsContact C-N 3.29Å; Q315-Q317 PolarHBondContact O-N 2.89Å; Q317-S322 VanDerWaalsContact O-CB 3.26Å; Q317-S322 WeakPolarHBondContact O-CB 3.02Å; Q317-A328 VanDerWaalsContact O-CB 3.26Å; Q317-A328 WeakPolarHBondContact O-CB 3.02Å
318	L	91.5	Very high	90.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-101.6	-2	-179.7	-62	170.8	0	0	0	113.1	W311 V314 Q315 K316 F332 Q361 L766	W311-L318 HydrophobicContact CZ3-CD1 3.86Å; V314-L318 HydrophobicContact CB-CD1 4.3Å; V314-L318 HydrophobicContact CG2-CD1 3.86Å; V314-L318 PolarHBondContact O-N 2.96Å; Q315-L318 PolarHBondContact O-N 3.37Å; Q315-L318 VanDerWaalsContact O-N 3.1Å; K316-L318 VanDerWaalsContact C-N 3.3Å; L318-F332 HydrophobicContact CD2-CB 4.11Å; L318-Q361 HydrophobicContact CB-CB 4.34Å; L318-Q361 WeakPolarHBondContact O-CG 3.34Å; L318-Q361 PolarHBondContact O-NE2 3.2Å; L318-L766 HydrophobicContact CD2-CD1 3.7Å
319	E	91.3	Very high	90.7	Very high	56 Å²	56	49.7 Å²	49.7	26%	0.262	27%	0.27	S	S	.	.	S	Bend	trans	-58.6	145.7	168.7	-73.2	-69.7	174.3	0	0	111.3	Q315 A321 S322 T357 T358	Q315-E319 PolarHBondContact O-N 3.15Å; E319-A321 PolarHBondContact O-N 3.47Å; E319-S322 WeakPolarHBondContact O-CB 3.39Å; E319-S322 PolarHBondContact O-N 3.29Å; E319-T357 PolarHBondContact OE1-OG1 2.95Å; E319-T357 WeakPolarHBondContact OE2-CB 3.5Å; E319-T357 PolarHBondContact OE2-OG1 3.18Å; E319-T358 HydrophobicContact CB-CG2 4.5Å; E319-T358 HydrophobicContact CG-CG2 3.86Å; E319-T358 VanDerWaalsContact OE1-CG2 3.28Å; E319-T358 WeakPolarHBondContact OE1-CG2 3.35Å
320	P	86.4	Confident	90.8	Very high	41 Å²	41	48.1 Å²	48.1	27%	0.266	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-52.9	-33.6	-173	-30.1	36.3	0	0	0	115.7	S322 T357 K764	P320-S322 VanDerWaalsContact C-N 3.25Å; P320-S322 PolarHBondContact O-N 3.44Å; P320-T357 WeakPolarHBondContact CD-O 3.43Å; P320-T357 WeakPolarHBondContact CG-O 3.4Å; P320-K764 HydrophobicContact CB-CD 4.28Å
321	A	85.8	Confident	91	Very high	85 Å²	85	46.8 Å²	46.8	70%	0.702	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-76.6	-5.6	179.6	0	0	0	0	0	114.5	E319	E319-A321 PolarHBondContact O-N 3.47Å
322	S	87.1	Confident	91.1	Very high	28 Å²	28	46.7 Å²	46.7	20%	0.196	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-103.7	-11.3	178.3	-63.1	0	0	0	0	113.2	K316 Q317 E319 P320 S324 K325 A328	K316-S322 PolarHBondContact O-OG 2.91Å; Q317-S322 VanDerWaalsContact O-CB 3.26Å; Q317-S322 WeakPolarHBondContact O-CB 3.02Å; E319-S322 WeakPolarHBondContact O-CB 3.39Å; E319-S322 PolarHBondContact O-N 3.29Å; P320-S322 VanDerWaalsContact C-N 3.25Å; P320-S322 PolarHBondContact O-N 3.44Å; S322-S324 PolarHBondContact O-N 2.87Å; S322-K325 WeakPolarHBondContact O-CB 3.22Å; S322-K325 PolarHBondContact O-N 2.92Å; S322-K325 VanDerWaalsContact O-N 3.16Å; S322-A328 WeakPolarHBondContact O-CB 3.31Å
323	L	85.9	Confident	91.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-37.4	-168.9	-66.2	-179.3	0	0	0	114	K325 A328 Q361 K764 L766 A793	L323-K325 PolarHBondContact O-N 3.3Å; L323-A328 HydrophobicContact CD2-CB 4.07Å; L323-Q361 HydrophobicContact CD1-CG 4.46Å; L323-Q361 HydrophobicContact CD2-CG 4.21Å; L323-K764 HydrophobicContact CD1-CD 3.97Å; L323-K764 HydrophobicContact CD1-CG 3.58Å; L323-L766 HydrophobicContact CD2-CD1 3.86Å; L323-L766 HydrophobicContact CD2-CD2 4.34Å; L323-L766 HydrophobicContact CD2-CG 4.1Å; L323-A793 HydrophobicContact CB-CB 4.48Å; L323-A793 WeakPolarHBondContact O-CB 3.4Å
324	S	84.4	Confident	91.1	Very high	34 Å²	34	39.6 Å²	39.6	24%	0.238	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	6.1	177.2	52	0	0	0	0	115	S322	S322-S324 PolarHBondContact O-N 2.87Å
325	K	91	Very high	91.2	Very high	104 Å²	104	39.3 Å²	39.3	45%	0.452	22%	0.217	S	C	.	.	S	Bend	trans	-115.1	141.6	179.1	-57.2	175.3	-175.3	171.3	0	110.7	S322 L323 T327 A328 P329 A818 E843	S322-K325 WeakPolarHBondContact O-CB 3.22Å; S322-K325 PolarHBondContact O-N 2.92Å; S322-K325 VanDerWaalsContact O-N 3.16Å; L323-K325 PolarHBondContact O-N 3.3Å; K325-T327 PolarHBondContact O-N 3.49Å; K325-A328 WeakPolarHBondContact O-CB 3.4Å; K325-A328 PolarHBondContact O-N 2.91Å; K325-P329 WeakPolarHBondContact O-CD 3.14Å; K325-A818 VanDerWaalsContact C-CB 3.43Å; K325-E843 VanDerWaalsContact CA-OE1 3.31Å; K325-E843 WeakPolarHBondContact CA-OE1 3.36Å
326	A	89.8	Confident	91.3	Very high	6 Å²	6	36.9 Å²	36.9	5%	0.05	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-12.2	-178.3	0	0	0	0	0	114.4	R330 V820 D841 E843	A326-R330 WeakPolarHBondContact O-CB 3.49Å; A326-R330 PolarHBondContact O-N 2.79Å; A326-V820 HydrophobicContact CB-CG2 3.84Å; A326-V820 WeakPolarHBondContact O-CG2 3.15Å; A326-D841 HydrophobicContact CB-CB 3.94Å; A326-E843 HydrophobicContact CB-CG 3.91Å; A326-E843 PolarHBondContact N-OE1 2.95Å
327	T	92.3	Very high	91.2	Very high	73 Å²	73	30 Å²	30	45%	0.448	18%	0.176	S	C	.	.	H	α-helix	trans	-63.1	-38.5	167.1	46.8	0	0	0	0	112.9	K325 S331	K325-T327 PolarHBondContact O-N 3.49Å; T327-S331 WeakPolarHBondContact O-CB 3.42Å; T327-S331 PolarHBondContact O-N 3.06Å; T327-S331 PolarHBondContact O-OG 3.26Å
328	A	93.6	Very high	91.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67	-56.6	-177.3	0	0	0	0	0	113.5	Q317 S322 L323 K325 R330 S331 F332	Q317-A328 VanDerWaalsContact O-CB 3.26Å; Q317-A328 WeakPolarHBondContact O-CB 3.02Å; S322-A328 WeakPolarHBondContact O-CB 3.31Å; L323-A328 HydrophobicContact CD2-CB 4.07Å; K325-A328 WeakPolarHBondContact O-CB 3.4Å; K325-A328 PolarHBondContact O-N 2.91Å; A328-R330 VanDerWaalsContact C-N 3.3Å; A328-R330 PolarHBondContact O-N 3.45Å; A328-S331 PolarHBondContact O-N 3.01Å; A328-F332 WeakPolarHBondContact O-CB 3.38Å; A328-F332 PolarHBondContact O-N 3.02Å
329	P	93.4	Very high	91.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.4	-32.7	176.7	26.7	-35.8	0	0	0	112.4	K325 F332 L333 G791 A818 V820	K325-P329 WeakPolarHBondContact O-CD 3.14Å; P329-F332 WeakPolarHBondContact O-CB 3.19Å; P329-F332 PolarHBondContact O-N 3.22Å; P329-L333 WeakPolarHBondContact O-CG 3.46Å; P329-L333 PolarHBondContact O-N 3.49Å; P329-G791 VanDerWaalsContact CB-O 3.28Å; P329-G791 WeakPolarHBondContact CB-O 3Å; P329-A818 HydrophobicContact CG-CB 3.93Å; P329-V820 HydrophobicContact CB-CB 4.27Å; P329-V820 HydrophobicContact CB-CG2 4.4Å; P329-V820 HydrophobicContact CG-CB 4.16Å; P329-V820 HydrophobicContact CG-CG2 3.76Å
330	R	94.1	Very high	91.3	Very high	64 Å²	64	28 Å²	28	24%	0.242	17%	0.169	C	C	.	.	H	α-helix	trans	-63.1	-46.8	172.2	178.3	173.6	-83.2	100.1	-5.6	111.9	A326 A328 F332 L333 G334 V820 S839 D841	A326-R330 WeakPolarHBondContact O-CB 3.49Å; A326-R330 PolarHBondContact O-N 2.79Å; A328-R330 VanDerWaalsContact C-N 3.3Å; A328-R330 PolarHBondContact O-N 3.45Å; R330-F332 VanDerWaalsContact C-N 3.34Å; R330-L333 PolarHBondContact O-N 2.83Å; R330-G334 PolarHBondContact O-N 3.39Å; R330-V820 HydrophobicContact CB-CG1 4.21Å; R330-V820 HydrophobicContact CB-CG2 4.34Å; R330-S839 PolarHBondContact NH2-OG 2.8Å; R330-D841 IonicContact CZ-OD1 3.21Å; R330-D841 IonicContact CZ-OD2 3.38Å; R330-D841 VanDerWaalsContact NH1-CG 3.3Å; R330-D841 IonicContact NH1-OD1 2.73Å; R330-D841 PolarHBondContact NH1-OD1 2.86Å; R330-D841 IonicContact NH1-OD2 3.78Å; R330-D841 PolarHBondContact NH1-OD2 2.98Å; R330-D841 IonicContact NH2-OD1 2.77Å; R330-D841 PolarHBondContact NH2-OD1 2.89Å; R330-D841 IonicContact NH2-OD2 2.66Å; R330-D841 PolarHBondContact NH2-OD2 3.02Å
331	S	94.8	Very high	91.4	Very high	17 Å²	17	32.9 Å²	32.9	12%	0.119	19%	0.186	C	C	.	.	H	α-helix	trans	-62	-40.8	175.5	-85.1	0	0	0	0	112	T327 A328 G334 F335	T327-S331 WeakPolarHBondContact O-CB 3.42Å; T327-S331 PolarHBondContact O-N 3.06Å; T327-S331 PolarHBondContact O-OG 3.26Å; A328-S331 PolarHBondContact O-N 3.01Å; S331-G334 PolarHBondContact O-N 3.39Å; S331-F335 WeakPolarHBondContact O-CB 3.49Å; S331-F335 PolarHBondContact O-N 3.14Å
332	F	95.6	Very high	91.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.6	-49.8	174.9	169.7	-102.4	0	0	0	112.5	L318 A328 P329 R330 G334 F335 I336 D364 A365 L766 L768	L318-F332 HydrophobicContact CD2-CB 4.11Å; A328-F332 WeakPolarHBondContact O-CB 3.38Å; A328-F332 PolarHBondContact O-N 3.02Å; P329-F332 WeakPolarHBondContact O-CB 3.19Å; P329-F332 PolarHBondContact O-N 3.22Å; R330-F332 VanDerWaalsContact C-N 3.34Å; F332-G334 PolarHBondContact O-N 3.47Å; F332-F335 PolarHBondContact O-N 3.37Å; F332-I336 HydrophobicContact CD1-CD1 3.82Å; F332-I336 HydrophobicContact CD2-CD1 4.17Å; F332-I336 HydrophobicContact CE1-CD1 3.53Å; F332-I336 HydrophobicContact CE2-CD1 3.9Å; F332-I336 HydrophobicContact CG-CD1 4.14Å; F332-I336 HydrophobicContact CZ-CD1 3.58Å; F332-I336 WeakPolarHBondContact O-CG1 3.47Å; F332-I336 PolarHBondContact O-N 3.34Å; F332-D364 HydrophobicContact CE2-CB 4.11Å; F332-A365 HydrophobicContact CD2-CB 3.81Å; F332-A365 HydrophobicContact CE2-CB 3.86Å; F332-L766 HydrophobicContact CB-CD1 4.24Å; F332-L766 HydrophobicContact CB-CD2 4.12Å; F332-L766 HydrophobicContact CD1-CB 4.35Å; F332-L766 HydrophobicContact CD1-CD2 4.47Å; F332-L766 HydrophobicContact CD2-CB 3.62Å; F332-L766 HydrophobicContact CD2-CD1 3.79Å; F332-L766 HydrophobicContact CD2-CD2 4.41Å; F332-L766 HydrophobicContact CD2-CG 4.15Å; F332-L766 HydrophobicContact CE1-CB 4.22Å; F332-L766 HydrophobicContact CE2-CB 3.45Å; F332-L766 VanDerWaalsContact CE2-CB 3.45Å; F332-L766 HydrophobicContact CE2-CD1 4.39Å; F332-L766 HydrophobicContact CE2-CG 4.45Å; F332-L766 HydrophobicContact CG-CB 4.07Å; F332-L766 HydrophobicContact CG-CD1 4.22Å; F332-L766 HydrophobicContact CG-CD2 4.14Å; F332-L766 HydrophobicContact CG-CG 4.38Å; F332-L766 HydrophobicContact CZ-CB 3.77Å; F332-L768 HydrophobicContact CE1-CB 4.26Å
333	L	94.6	Very high	92.1	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-60.6	-46	176.3	-70.9	-176.8	0	0	0	112.3	P329 R330 F335 I336 Q337 L768 Q789 V820 T822	P329-L333 WeakPolarHBondContact O-CG 3.46Å; P329-L333 PolarHBondContact O-N 3.49Å; R330-L333 PolarHBondContact O-N 2.83Å; L333-F335 VanDerWaalsContact C-N 3.31Å; L333-F335 PolarHBondContact O-N 2.96Å; L333-I336 PolarHBondContact O-N 3.01Å; L333-Q337 PolarHBondContact O-N 2.95Å; L333-L768 HydrophobicContact CD2-CD1 3.53Å; L333-Q789 HydrophobicContact CD1-CB 4.09Å; L333-Q789 HydrophobicContact CD2-CB 3.78Å; L333-Q789 HydrophobicContact CG-CB 4.48Å; L333-V820 HydrophobicContact CD1-CG1 4.37Å; L333-T822 HydrophobicContact CD1-CG2 4.13Å
334	G	92.1	Very high	92.6	Very high	28 Å²	28	33.8 Å²	33.8	29%	0.289	18%	0.18	S	C	.	.	H	α-helix	trans	-60.7	-40.3	175.9	0	0	0	0	0	112.5	H310 R330 S331 F332 Q337 S338	H310-G334 PolarHBondContact CE1-O 3.18Å; H310-G334 VanDerWaalsContact CE1-O 3.27Å; R330-G334 PolarHBondContact O-N 3.39Å; S331-G334 PolarHBondContact O-N 3.39Å; F332-G334 PolarHBondContact O-N 3.47Å; G334-Q337 WeakPolarHBondContact O-CB 3.49Å; G334-Q337 PolarHBondContact O-N 2.91Å; G334-S338 PolarHBondContact O-N 3.06Å
335	F	94.8	Very high	93.1	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	20%	0.199	C	C	.	.	H	α-helix	trans	-69.7	-42	179.6	-174	-130.7	0	0	0	112.2	L307 W311 V314 S331 F332 L333 Q337 S338 I339 V350 A365	L307-F335 HydrophobicContact CD1-CD2 4.26Å; L307-F335 HydrophobicContact CD1-CE2 3.67Å; L307-F335 HydrophobicContact CD1-CZ 4.42Å; L307-F335 HydrophobicContact CG-CE2 4.29Å; W311-F335 HydrophobicContact CB-CE2 3.99Å; W311-F335 HydrophobicContact CB-CZ 4.28Å; W311-F335 HydrophobicContact CD2-CZ 4.48Å; W311-F335 AromaticContact CE3-CE1 3.97Å; W311-F335 HydrophobicContact CE3-CE1 3.97Å; W311-F335 HydrophobicContact CE3-CE2 4.36Å; W311-F335 AromaticContact CE3-CZ 3.88Å; W311-F335 HydrophobicContact CE3-CZ 3.88Å; W311-F335 HydrophobicContact CZ3-CE1 4.39Å; V314-F335 HydrophobicContact CG2-CB 4.31Å; V314-F335 HydrophobicContact CG2-CD2 4.26Å; V314-F335 HydrophobicContact CG2-CG 4.18Å; S331-F335 WeakPolarHBondContact O-CB 3.49Å; S331-F335 PolarHBondContact O-N 3.14Å; F332-F335 PolarHBondContact O-N 3.37Å; L333-F335 VanDerWaalsContact C-N 3.31Å; L333-F335 PolarHBondContact O-N 2.96Å; F335-Q337 PolarHBondContact O-N 2.95Å; F335-S338 PolarHBondContact O-N 3.03Å; F335-I339 HydrophobicContact CD1-CD1 3.81Å; F335-I339 HydrophobicContact CE1-CD1 3.67Å; F335-I339 HydrophobicContact CE1-CG1 4.31Å; F335-I339 HydrophobicContact CE2-CD1 4.49Å; F335-I339 HydrophobicContact CE2-CG1 4.29Å; F335-I339 HydrophobicContact CG-CD1 4.28Å; F335-I339 HydrophobicContact CZ-CD1 4Å; F335-I339 HydrophobicContact CZ-CG1 4.15Å; F335-I339 WeakPolarHBondContact O-CG1 3.3Å; F335-I339 PolarHBondContact O-N 3.05Å; F335-V350 HydrophobicContact CZ-CG1 4.02Å; F335-A365 HydrophobicContact CD1-CB 3.91Å; F335-A365 HydrophobicContact CE1-CB 4.24Å
336	I	94.6	Very high	93.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-52.2	-42.2	170.5	-76.3	164.3	0	0	0	111.2	F332 L333 S338 I339 R340 A365 L768	F332-I336 HydrophobicContact CD1-CD1 3.82Å; F332-I336 HydrophobicContact CD2-CD1 4.17Å; F332-I336 HydrophobicContact CE1-CD1 3.53Å; F332-I336 HydrophobicContact CE2-CD1 3.9Å; F332-I336 HydrophobicContact CG-CD1 4.14Å; F332-I336 HydrophobicContact CZ-CD1 3.58Å; F332-I336 WeakPolarHBondContact O-CG1 3.47Å; F332-I336 PolarHBondContact O-N 3.34Å; L333-I336 PolarHBondContact O-N 3.01Å; I336-S338 VanDerWaalsContact C-N 3.26Å; I336-S338 PolarHBondContact O-N 3.28Å; I336-I339 PolarHBondContact O-N 2.97Å; I336-R340 HydrophobicContact CG2-CG 4.41Å; I336-R340 WeakPolarHBondContact O-CB 3.5Å; I336-R340 WeakPolarHBondContact O-CG 3.46Å; I336-R340 PolarHBondContact O-N 3Å; I336-A365 HydrophobicContact CG1-CB 4.3Å; I336-L768 HydrophobicContact CD1-CD2 4.42Å
337	Q	90.3	Very high	93.6	Very high	28 Å²	28	36.2 Å²	36.2	13%	0.131	19%	0.192	C	C	.	.	H	α-helix	trans	-67.7	-20.9	178.9	-76.7	-73.1	1.6	0	0	114.6	L333 G334 F335 K341 E787 Q789	L333-Q337 PolarHBondContact O-N 2.95Å; G334-Q337 WeakPolarHBondContact O-CB 3.49Å; G334-Q337 PolarHBondContact O-N 2.91Å; F335-Q337 PolarHBondContact O-N 2.95Å; Q337-K341 WeakPolarHBondContact O-CD 3.2Å; Q337-K341 PolarHBondContact O-NZ 2.98Å; Q337-E787 VanDerWaalsContact CD-OE2 3.3Å; Q337-E787 PolarHBondContact NE2-OE2 3.23Å; Q337-E787 PolarHBondContact OE1-OE2 2.9Å; Q337-Q789 VanDerWaalsContact CG-OE1 3.27Å
338	S	92	Very high	93.8	Very high	32 Å²	32	33 Å²	33	22%	0.224	17%	0.172	C	C	.	.	H	α-helix	trans	-84.2	-42.6	167.3	-74.4	0	0	0	0	112.1	H310 G334 F335 I336 R340 K341 A342	H310-S338 PolarHBondContact ND1-OG 3.2Å; G334-S338 PolarHBondContact O-N 3.06Å; F335-S338 PolarHBondContact O-N 3.03Å; I336-S338 VanDerWaalsContact C-N 3.26Å; I336-S338 PolarHBondContact O-N 3.28Å; S338-R340 VanDerWaalsContact C-N 3.25Å; S338-R340 PolarHBondContact O-N 2.03Å; S338-K341 PolarHBondContact O-N 3.44Å; S338-A342 PolarHBondContact O-N 3.3Å
339	I	93.9	Very high	94	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-56.7	-42.5	177.2	-62.1	165.6	0	0	0	110.4	L307 F335 I336 K341 A342 I347 A365 V366 S369	L307-I339 HydrophobicContact CD1-CG1 3.89Å; F335-I339 HydrophobicContact CD1-CD1 3.81Å; F335-I339 HydrophobicContact CE1-CD1 3.67Å; F335-I339 HydrophobicContact CE1-CG1 4.31Å; F335-I339 HydrophobicContact CE2-CD1 4.49Å; F335-I339 HydrophobicContact CE2-CG1 4.29Å; F335-I339 HydrophobicContact CG-CD1 4.28Å; F335-I339 HydrophobicContact CZ-CD1 4Å; F335-I339 HydrophobicContact CZ-CG1 4.15Å; F335-I339 WeakPolarHBondContact O-CG1 3.3Å; F335-I339 PolarHBondContact O-N 3.05Å; I336-I339 PolarHBondContact O-N 2.97Å; I339-K341 PolarHBondContact O-N 3.27Å; I339-A342 PolarHBondContact O-N 3.42Å; I339-A342 VanDerWaalsContact O-N 3.1Å; I339-I347 HydrophobicContact CG2-CD1 3.82Å; I339-I347 HydrophobicContact CG2-CG1 4.12Å; I339-A365 HydrophobicContact CD1-CB 4.04Å; I339-V366 HydrophobicContact CD1-CG2 3.92Å; I339-S369 VanDerWaalsContact CG2-OG 3.26Å; I339-S369 WeakPolarHBondContact CG2-OG 3.41Å
340	R	91.6	Very high	94.1	Very high	41 Å²	41	39 Å²	39	16%	0.155	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-13.8	176.9	-78.4	-179.9	170.8	168	1.1	115.3	I336 S338 S369 T371 D771 Q789	I336-R340 HydrophobicContact CG2-CG 4.41Å; I336-R340 WeakPolarHBondContact O-CB 3.5Å; I336-R340 WeakPolarHBondContact O-CG 3.46Å; I336-R340 PolarHBondContact O-N 3Å; S338-R340 VanDerWaalsContact C-N 3.25Å; S338-R340 PolarHBondContact O-N 2.03Å; R340-S369 WeakPolarHBondContact CG-O 3.46Å; R340-S369 PolarHBondContact NE-O 3.45Å; R340-T371 HydrophobicContact CB-CG2 4.27Å; R340-T371 HydrophobicContact CG-CG2 3.97Å; R340-D771 IonicContact CZ-OD1 3.35Å; R340-D771 IonicContact CZ-OD2 3.89Å; R340-D771 IonicContact NH1-OD1 3.23Å; R340-D771 PolarHBondContact NH1-OD1 3.32Å; R340-D771 IonicContact NH1-OD2 2.58Å; R340-D771 IonicContact NH2-OD1 2.69Å; R340-D771 PolarHBondContact NH2-OD1 2.96Å; R340-D771 IonicContact NH2-OD2 2.78Å; R340-D771 PolarHBondContact NH2-OD2 2.93Å; R340-Q789 VanDerWaalsContact NH1-NE2 3.14Å
341	K	88.9	Confident	94.1	Very high	145 Å²	145	36 Å²	36	63%	0.63	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.1	-1	-175.8	-61.6	172.6	-174.3	111.2	0	112.2	Q337 S338 I339	Q337-K341 WeakPolarHBondContact O-CD 3.2Å; Q337-K341 PolarHBondContact O-NZ 2.98Å; S338-K341 PolarHBondContact O-N 3.44Å; I339-K341 PolarHBondContact O-N 3.27Å
342	A	91.7	Very high	94.1	Very high	19 Å²	19	41.6 Å²	41.6	16%	0.157	21%	0.209	C	C	.	.	S	Bend	trans	-98.6	163.1	-174.8	0	0	0	0	0	113.2	L307 S338 I339 E346 I347	L307-A342 HydrophobicContact CB-CB 4.32Å; L307-A342 HydrophobicContact CD1-CB 4.49Å; L307-A342 HydrophobicContact CD2-CB 3.77Å; L307-A342 HydrophobicContact CG-CB 4.41Å; S338-A342 PolarHBondContact O-N 3.3Å; I339-A342 PolarHBondContact O-N 3.42Å; I339-A342 VanDerWaalsContact O-N 3.1Å; A342-E346 HydrophobicContact CB-CB 4.35Å; A342-I347 HydrophobicContact CB-CD1 4.48Å; A342-I347 HydrophobicContact CB-CG1 4.19Å
343	S	94.4	Very high	94	Very high	50 Å²	50	43.9 Å²	43.9	35%	0.35	23%	0.225	S	C	.	.			trans	-83	162.4	172.4	65.7	0	0	0	0	112.8	D345 E346 I347	S343-D345 VanDerWaalsContact C-N 3.25Å; S343-D345 PolarHBondContact O-N 2.9Å; S343-E346 WeakPolarHBondContact CB-OE2 3.5Å; S343-E346 PolarHBondContact N-OE2 2.93Å; S343-E346 PolarHBondContact O-N 3.03Å; S343-E346 WeakPolarHBondContact OG-CG 3.48Å; S343-E346 PolarHBondContact OG-OE2 3.47Å; S343-I347 VanDerWaalsContact O-CG1 3.31Å; S343-I347 WeakPolarHBondContact O-CG1 3.49Å; S343-I347 PolarHBondContact O-N 3.44Å
344	K	96.4	Very high	93.9	Very high	63 Å²	63	44.6 Å²	44.6	27%	0.274	23%	0.232	S	C	.	.	H	α-helix	trans	-53.2	-43.6	176.3	-166.5	-155.3	-173.9	-164.5	0	111.8	I347 L348 D376 A377 E380	K344-I347 PolarHBondContact O-N 3.42Å; K344-L348 HydrophobicContact CD-CD1 4Å; K344-L348 HydrophobicContact CG-CD1 3.97Å; K344-L348 WeakPolarHBondContact O-CB 3.47Å; K344-L348 WeakPolarHBondContact O-CG 3.35Å; K344-L348 PolarHBondContact O-N 2.78Å; K344-D376 HydrophobicContact CD-CB 4.32Å; K344-D376 WeakPolarHBondContact CE-O 3.38Å; K344-D376 HydrophobicContact CG-CB 4.39Å; K344-A377 HydrophobicContact CG-CB 3.97Å; K344-E380 IonicContact NZ-OE2 3.19Å; K344-E380 PolarHBondContact NZ-OE2 3.31Å
345	D	96.1	Very high	93.8	Very high	116 Å²	116	45 Å²	45	62%	0.62	23%	0.23	S	C	*	.	H	α-helix	trans	-71.8	-35	-173.5	-54.4	-44.3	0	0	0	112.4	S343 K349	S343-D345 VanDerWaalsContact C-N 3.25Å; S343-D345 PolarHBondContact O-N 2.9Å; D345-K349 WeakPolarHBondContact O-CB 3.18Å; D345-K349 PolarHBondContact O-N 3.11Å
346	E	94.7	Very high	93.6	Very high	78 Å²	78	54.6 Å²	54.6	36%	0.364	27%	0.272	S	S	.	.	H	α-helix	trans	-65.2	-41.1	171.9	-70.3	167.9	108.6	0	0	111.6	L307 A342 S343 K349 V350	L307-E346 HydrophobicContact CB-CB 4.49Å; L307-E346 HydrophobicContact CD2-CB 4.1Å; A342-E346 HydrophobicContact CB-CB 4.35Å; S343-E346 WeakPolarHBondContact CB-OE2 3.5Å; S343-E346 PolarHBondContact N-OE2 2.93Å; S343-E346 PolarHBondContact O-N 3.03Å; S343-E346 WeakPolarHBondContact OG-CG 3.48Å; S343-E346 PolarHBondContact OG-OE2 3.47Å; E346-K349 WeakPolarHBondContact O-CB 3.36Å; E346-K349 PolarHBondContact O-N 3.47Å; E346-V350 PolarHBondContact O-N 3.3Å; E346-V350 VanDerWaalsContact O-N 3.12Å
347	I	96.8	Very high	93.3	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-65.7	-45.4	177.3	-63.7	167.4	0	0	0	110.3	L307 I339 A342 S343 K344 K349 V350 L351 V366 A377	L307-I347 HydrophobicContact CD2-CG1 3.86Å; I339-I347 HydrophobicContact CG2-CD1 3.82Å; I339-I347 HydrophobicContact CG2-CG1 4.12Å; A342-I347 HydrophobicContact CB-CD1 4.48Å; A342-I347 HydrophobicContact CB-CG1 4.19Å; S343-I347 VanDerWaalsContact O-CG1 3.31Å; S343-I347 WeakPolarHBondContact O-CG1 3.49Å; S343-I347 PolarHBondContact O-N 3.44Å; K344-I347 PolarHBondContact O-N 3.42Å; I347-K349 VanDerWaalsContact C-N 3.31Å; I347-K349 PolarHBondContact O-N 2.94Å; I347-V350 PolarHBondContact O-N 3.1Å; I347-L351 HydrophobicContact CG2-CD1 4.09Å; I347-L351 PolarHBondContact O-N 2.83Å; I347-V366 HydrophobicContact CG2-CB 4.41Å; I347-V366 HydrophobicContact CG2-CG1 3.53Å; I347-V366 HydrophobicContact CG2-CG2 3.86Å; I347-A377 HydrophobicContact CB-CB 4.05Å; I347-A377 HydrophobicContact CG2-CB 3.6Å
348	L	96.6	Very high	93.3	Very high	6 Å²	6	56.4 Å²	56.4	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-61.3	-37.5	174.2	-74.2	167.1	0	0	0	112.4	K344 V350 L351 K352 A377 E380 F381	K344-L348 HydrophobicContact CD-CD1 4Å; K344-L348 HydrophobicContact CG-CD1 3.97Å; K344-L348 WeakPolarHBondContact O-CB 3.47Å; K344-L348 WeakPolarHBondContact O-CG 3.35Å; K344-L348 PolarHBondContact O-N 2.78Å; L348-V350 VanDerWaalsContact C-N 3.34Å; L348-L351 PolarHBondContact O-N 2.63Å; L348-K352 VanDerWaalsContact O-CB 3.3Å; L348-K352 WeakPolarHBondContact O-CB 3.46Å; L348-K352 WeakPolarHBondContact O-CD 3.26Å; L348-K352 VanDerWaalsContact O-CG 3.22Å; L348-K352 WeakPolarHBondContact O-CG 3.19Å; L348-K352 PolarHBondContact O-N 2.9Å; L348-A377 HydrophobicContact CD2-CB 4.1Å; L348-A377 WeakPolarHBondContact CD2-O 3.42Å; L348-A377 HydrophobicContact CG-CB 3.92Å; L348-E380 WeakPolarHBondContact CD1-OE1 3.29Å; L348-E380 WeakPolarHBondContact CD1-OE2 3.49Å; L348-E380 HydrophobicContact CD2-CB 4.25Å; L348-E380 HydrophobicContact CD2-CG 4.45Å; L348-F381 HydrophobicContact CD2-CB 4.32Å
349	K	95.9	Very high	93.4	Very high	122 Å²	122	56.1 Å²	56.1	53%	0.53	28%	0.281	S	S	.	.	H	α-helix	trans	-61.8	-41	174.3	-176.6	-175.3	176	-173.4	0	111.5	F308 D345 E346 I347 S353	F308-K349 HydrophobicContact CD2-CD 4.15Å; F308-K349 HydrophobicContact CD2-CG 4.17Å; F308-K349 HydrophobicContact CE2-CG 4.4Å; D345-K349 WeakPolarHBondContact O-CB 3.18Å; D345-K349 PolarHBondContact O-N 3.11Å; E346-K349 WeakPolarHBondContact O-CB 3.36Å; E346-K349 PolarHBondContact O-N 3.47Å; I347-K349 VanDerWaalsContact C-N 3.31Å; I347-K349 PolarHBondContact O-N 2.94Å; K349-S353 WeakPolarHBondContact O-CB 3.34Å; K349-S353 PolarHBondContact O-N 3.06Å; K349-S353 PolarHBondContact O-OG 2.69Å
350	V	95.6	Very high	93.3	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.012	29%	0.286	C	S	.	.	H	α-helix	trans	-67.8	-50.3	175.6	176.8	0	0	0	0	111.3	L307 F308 W311 F335 E346 I347 L348 K352 S353 A354 V362	L307-V350 HydrophobicContact CD2-CG2 4.05Å; L307-V350 HydrophobicContact CG-CG2 4.07Å; F308-V350 HydrophobicContact CD2-CG2 4.24Å; W311-V350 HydrophobicContact CB-CG1 4.04Å; W311-V350 HydrophobicContact CB-CG2 4.1Å; W311-V350 HydrophobicContact CD2-CG1 3.68Å; W311-V350 HydrophobicContact CE3-CG1 4.26Å; W311-V350 HydrophobicContact CG-CG1 3.52Å; W311-V350 HydrophobicContact CG-CG2 4.3Å; F335-V350 HydrophobicContact CZ-CG1 4.02Å; E346-V350 PolarHBondContact O-N 3.3Å; E346-V350 VanDerWaalsContact O-N 3.12Å; I347-V350 PolarHBondContact O-N 3.1Å; L348-V350 VanDerWaalsContact C-N 3.34Å; V350-K352 VanDerWaalsContact C-N 3.28Å; V350-K352 PolarHBondContact O-N 3.14Å; V350-S353 WeakPolarHBondContact CA-OG 3.45Å; V350-S353 WeakPolarHBondContact O-CA 3.45Å; V350-S353 PolarHBondContact O-N 3.22Å; V350-S353 PolarHBondContact O-OG 3.01Å; V350-A354 PolarHBondContact O-N 2.8Å; V350-V362 HydrophobicContact CG1-CG1 4.13Å
351	L	95	Very high	93.4	Very high	2 Å²	2	55 Å²	55	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-53.2	-44.4	178	-76.9	163.7	0	0	0	112.3	I347 L348 S353 L359 V362 V363 V366 A377 M378 F381	I347-L351 HydrophobicContact CG2-CD1 4.09Å; I347-L351 PolarHBondContact O-N 2.83Å; L348-L351 PolarHBondContact O-N 2.63Å; L351-S353 PolarHBondContact O-N 2.64Å; L351-L359 HydrophobicContact CD2-CD1 4.16Å; L351-V362 HydrophobicContact CD2-CB 4.46Å; L351-V362 HydrophobicContact CD2-CG1 3.67Å; L351-V362 HydrophobicContact CG-CG1 4.18Å; L351-V363 HydrophobicContact CD2-CG2 4.27Å; L351-V366 HydrophobicContact CD2-CG2 4.45Å; L351-V366 HydrophobicContact CG-CG2 4.49Å; L351-A377 HydrophobicContact CD1-CB 4.46Å; L351-M378 HydrophobicContact CD1-SD 4.03Å; L351-M378 HydrophobicContact CD2-SD 4.1Å; L351-F381 HydrophobicContact CB-CD1 4.48Å; L351-F381 HydrophobicContact CB-CD2 3.83Å; L351-F381 HydrophobicContact CB-CE1 4.49Å; L351-F381 HydrophobicContact CB-CE2 3.84Å; L351-F381 HydrophobicContact CB-CG 4.16Å; L351-F381 HydrophobicContact CB-CZ 4.18Å; L351-F381 HydrophobicContact CD1-CB 4.12Å; L351-F381 HydrophobicContact CD1-CD1 4.45Å; L351-F381 HydrophobicContact CD1-CG 4.12Å; L351-F381 HydrophobicContact CD2-CD1 4.12Å; L351-F381 HydrophobicContact CD2-CE1 4.17Å
352	K	94.3	Very high	93.7	Very high	134 Å²	134	48.1 Å²	48.1	58%	0.583	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-5.6	178.4	-65.5	166.7	-173	171.8	0	113.6	L348 V350 E380 F381	L348-K352 VanDerWaalsContact O-CB 3.3Å; L348-K352 WeakPolarHBondContact O-CB 3.46Å; L348-K352 WeakPolarHBondContact O-CD 3.26Å; L348-K352 VanDerWaalsContact O-CG 3.22Å; L348-K352 WeakPolarHBondContact O-CG 3.19Å; L348-K352 PolarHBondContact O-N 2.9Å; V350-K352 VanDerWaalsContact C-N 3.28Å; V350-K352 PolarHBondContact O-N 3.14Å; K352-E380 IonicContact NZ-OE1 3.93Å; K352-E380 PolarHBondContact NZ-OE1 2.99Å; K352-F381 HydrophobicContact CG-CD2 4.26Å; K352-F381 HydrophobicContact CG-CE2 4.12Å
353	S	93.4	Very high	93.9	Very high	48 Å²	48	47.2 Å²	47.2	34%	0.336	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-11.8	-179.8	75.2	0	0	0	0	115.4	K349 V350 L351	K349-S353 WeakPolarHBondContact O-CB 3.34Å; K349-S353 PolarHBondContact O-N 3.06Å; K349-S353 PolarHBondContact O-OG 2.69Å; V350-S353 WeakPolarHBondContact CA-OG 3.45Å; V350-S353 WeakPolarHBondContact O-CA 3.45Å; V350-S353 PolarHBondContact O-N 3.22Å; V350-S353 PolarHBondContact O-OG 3.01Å; L351-S353 PolarHBondContact O-N 2.64Å
354	A	92.3	Very high	94	Very high	20 Å²	20	45.1 Å²	45.1	17%	0.165	23%	0.227	C	C	.	.			trans	-71.1	148.9	-175.3	0	0	0	0	0	112.5	W311 V350 L359 V362	W311-A354 HydrophobicContact CZ2-CB 3.89Å; V350-A354 PolarHBondContact O-N 2.8Å; A354-L359 HydrophobicContact CB-CB 4.08Å; A354-L359 HydrophobicContact CB-CD1 4.09Å; A354-V362 HydrophobicContact CB-CG2 3.96Å
355	S	91.6	Very high	94	Very high	35 Å²	35	42.1 Å²	42.1	25%	0.245	21%	0.214	C	C	.	.			trans	-70.3	154.8	173	62.2	0	0	0	0	110.6	T357 T358 L359	S355-T357 PolarHBondContact O-N 2.83Å; S355-T357 PolarHBondContact OG-OG1 3.03Å; S355-T358 PolarHBondContact N-OG1 3.37Å; S355-T358 PolarHBondContact O-N 3.46Å; S355-T358 PolarHBondContact O-OG1 3.35Å; S355-T358 WeakPolarHBondContact OG-CG2 3.4Å; S355-T358 PolarHBondContact OG-N 3.07Å; S355-T358 PolarHBondContact OG-OG1 3.48Å; S355-L359 WeakPolarHBondContact O-CB 3.26Å; S355-L359 PolarHBondContact O-N 2.97Å
356	K	88.8	Confident	94	Very high	203 Å²	203	36.7 Å²	36.7	88%	0.883	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-25.9	175	-68.6	-174.8	177.9	-178.1	0	113.5
357	T	88.5	Confident	94.1	Very high	67 Å²	67	33.4 Å²	33.4	41%	0.411	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-23	178.8	54	0	0	0	0	114.4	E319 P320 S355 Q361	E319-T357 PolarHBondContact OE1-OG1 2.95Å; E319-T357 WeakPolarHBondContact OE2-CB 3.5Å; E319-T357 PolarHBondContact OE2-OG1 3.18Å; P320-T357 WeakPolarHBondContact CD-O 3.43Å; P320-T357 WeakPolarHBondContact CG-O 3.4Å; S355-T357 PolarHBondContact O-N 2.83Å; S355-T357 PolarHBondContact OG-OG1 3.03Å; T357-Q361 PolarHBondContact O-NE2 3.06Å; T357-Q361 PolarHBondContact O-OE1 3Å; T357-Q361 VanDerWaalsContact O-OE1 3.1Å
358	T	90.9	Very high	94	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-17.2	-177.7	57.2	0	0	0	0	114	Q315 E319 S355 P360 Q361 V362	Q315-T358 HydrophobicContact CG-CG2 4.12Å; E319-T358 HydrophobicContact CB-CG2 4.5Å; E319-T358 HydrophobicContact CG-CG2 3.86Å; E319-T358 VanDerWaalsContact OE1-CG2 3.28Å; E319-T358 WeakPolarHBondContact OE1-CG2 3.35Å; S355-T358 PolarHBondContact N-OG1 3.37Å; S355-T358 PolarHBondContact O-N 3.46Å; S355-T358 PolarHBondContact O-OG1 3.35Å; S355-T358 WeakPolarHBondContact OG-CG2 3.4Å; S355-T358 PolarHBondContact OG-N 3.07Å; S355-T358 PolarHBondContact OG-OG1 3.48Å; T358-P360 VanDerWaalsContact C-CD 3.47Å; T358-Q361 WeakPolarHBondContact O-CB 3.36Å; T358-Q361 PolarHBondContact O-N 2.8Å; T358-Q361 PolarHBondContact O-OE1 3.39Å; T358-V362 PolarHBondContact O-N 2.72Å
359	L	93.8	Very high	93.9	Very high	25 Å²	25	33.4 Å²	33.4	13%	0.131	17%	0.17	C	C	.	.	H	α-helix	trans	-54.9	-40.7	178.5	179.5	59.2	0	0	0	113.5	L351 A354 S355 Q361 V362 V363 F381 L392	L351-L359 HydrophobicContact CD2-CD1 4.16Å; A354-L359 HydrophobicContact CB-CB 4.08Å; A354-L359 HydrophobicContact CB-CD1 4.09Å; S355-L359 WeakPolarHBondContact O-CB 3.26Å; S355-L359 PolarHBondContact O-N 2.97Å; L359-Q361 VanDerWaalsContact C-N 3.28Å; L359-Q361 PolarHBondContact O-N 3.05Å; L359-V362 PolarHBondContact O-N 3.35Å; L359-V363 HydrophobicContact CD1-CG2 4.43Å; L359-V363 WeakPolarHBondContact O-CG2 3.41Å; L359-V363 PolarHBondContact O-N 2.76Å; L359-F381 HydrophobicContact CD1-CE1 3.83Å; L359-F381 HydrophobicContact CD1-CZ 3.73Å; L359-F381 HydrophobicContact CD2-CE1 4.28Å; L359-F381 HydrophobicContact CD2-CZ 4Å; L359-F381 HydrophobicContact CG-CE1 4.48Å; L359-F381 HydrophobicContact CG-CZ 4.46Å; L359-L392 HydrophobicContact CD2-CD1 3.59Å; L359-L392 HydrophobicContact CD2-CD2 4.45Å; L359-L392 HydrophobicContact CG-CD1 4.05Å; L359-L392 HydrophobicContact CG-CD2 4.09Å
360	P	92.9	Very high	93.8	Very high	17 Å²	17	28.2 Å²	28.2	11%	0.11	15%	0.148	C	C	.	.	H	α-helix	trans	-56.8	-40.2	173.2	-23.7	33.3	0	0	0	113.1	T358 V363 D364 L392 R395	T358-P360 VanDerWaalsContact C-CD 3.47Å; P360-V363 WeakPolarHBondContact O-CB 3.42Å; P360-V363 PolarHBondContact O-N 3.24Å; P360-D364 PolarHBondContact O-N 3.28Å; P360-D364 VanDerWaalsContact O-OD1 3.11Å; P360-L392 HydrophobicContact CB-CD2 4.31Å; P360-L392 HydrophobicContact CG-CD2 3.97Å; P360-R395 HydrophobicContact CB-CG 4.29Å
361	Q	93.5	Very high	93.7	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.014	16%	0.156	C	C	.	.	H	α-helix	trans	-73.1	-29	179.9	-61.7	87.2	-44.8	0	0	112	L318 L323 T357 T358 L359 A365 L766	L318-Q361 HydrophobicContact CB-CB 4.34Å; L318-Q361 WeakPolarHBondContact O-CG 3.34Å; L318-Q361 PolarHBondContact O-NE2 3.2Å; L323-Q361 HydrophobicContact CD1-CG 4.46Å; L323-Q361 HydrophobicContact CD2-CG 4.21Å; T357-Q361 PolarHBondContact O-NE2 3.06Å; T357-Q361 PolarHBondContact O-OE1 3Å; T357-Q361 VanDerWaalsContact O-OE1 3.1Å; T358-Q361 WeakPolarHBondContact O-CB 3.36Å; T358-Q361 PolarHBondContact O-N 2.8Å; T358-Q361 PolarHBondContact O-OE1 3.39Å; L359-Q361 VanDerWaalsContact C-N 3.28Å; L359-Q361 PolarHBondContact O-N 3.05Å; Q361-A365 WeakPolarHBondContact O-CB 3.31Å; Q361-A365 PolarHBondContact O-N 3.07Å; Q361-A365 VanDerWaalsContact O-N 3.07Å; Q361-L766 HydrophobicContact CB-CD1 3.96Å; Q361-L766 HydrophobicContact CG-CD1 3.97Å
362	V	95.4	Very high	93.6	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-69.3	-40.9	168	-178.1	0	0	0	0	110.4	W311 V350 L351 A354 T358 L359 A365 V366	W311-V362 HydrophobicContact CE3-CG2 4.15Å; W311-V362 HydrophobicContact CH2-CG2 3.23Å; W311-V362 HydrophobicContact CZ2-CG2 3.81Å; W311-V362 HydrophobicContact CZ3-CG2 3.42Å; W311-V362 VanDerWaalsContact CZ3-CG2 3.42Å; V350-V362 HydrophobicContact CG1-CG1 4.13Å; L351-V362 HydrophobicContact CD2-CB 4.46Å; L351-V362 HydrophobicContact CD2-CG1 3.67Å; L351-V362 HydrophobicContact CG-CG1 4.18Å; A354-V362 HydrophobicContact CB-CG2 3.96Å; T358-V362 PolarHBondContact O-N 2.72Å; L359-V362 PolarHBondContact O-N 3.35Å; V362-A365 PolarHBondContact O-N 2.76Å; V362-V366 HydrophobicContact CG1-CG2 3.95Å; V362-V366 WeakPolarHBondContact O-CB 3.43Å; V362-V366 VanDerWaalsContact O-CG2 3.26Å; V362-V366 WeakPolarHBondContact O-CG2 3.5Å; V362-V366 PolarHBondContact O-N 3.45Å
363	V	96.1	Very high	93.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.8	-46.3	174	169.6	0	0	0	0	111.1	L351 L359 P360 A365 T367 M378 L392 R395 F396	L351-V363 HydrophobicContact CD2-CG2 4.27Å; L359-V363 HydrophobicContact CD1-CG2 4.43Å; L359-V363 WeakPolarHBondContact O-CG2 3.41Å; L359-V363 PolarHBondContact O-N 2.76Å; P360-V363 WeakPolarHBondContact O-CB 3.42Å; P360-V363 PolarHBondContact O-N 3.24Å; V363-A365 VanDerWaalsContact C-N 3.31Å; V363-A365 PolarHBondContact O-N 3.13Å; V363-T367 VanDerWaalsContact O-CB 3.3Å; V363-T367 WeakPolarHBondContact O-CB 3.41Å; V363-T367 PolarHBondContact O-N 3.2Å; V363-T367 PolarHBondContact O-OG1 3.03Å; V363-M378 HydrophobicContact CB-CE 4.25Å; V363-M378 HydrophobicContact CG1-CE 3.69Å; V363-M378 HydrophobicContact CG2-CE 3.91Å; V363-M378 HydrophobicContact CG2-SD 4.46Å; V363-L392 HydrophobicContact CG2-CD2 4.29Å; V363-R395 HydrophobicContact CG1-CB 3.86Å; V363-F396 HydrophobicContact CG1-CB 4.01Å
364	D	95	Very high	93.7	Very high	6 Å²	6	25.7 Å²	25.7	3%	0.032	15%	0.146	C	C	.	.	H	α-helix	trans	-52.9	-49.2	173.4	-63.2	-9.5	0	0	0	110.3	F332 P360 S368 R395 L766	F332-D364 HydrophobicContact CE2-CB 4.11Å; P360-D364 PolarHBondContact O-N 3.28Å; P360-D364 VanDerWaalsContact O-OD1 3.11Å; D364-S368 WeakPolarHBondContact O-CB 3.45Å; D364-S368 PolarHBondContact O-N 3.08Å; D364-S368 PolarHBondContact O-OG 3.34Å; D364-R395 IonicContact OD1-CZ 3.41Å; D364-R395 IonicContact OD1-NH1 3.21Å; D364-R395 PolarHBondContact OD1-NH1 3.41Å; D364-R395 IonicContact OD2-NH1 2.7Å; D364-R395 PolarHBondContact OD2-NH1 2.75Å; D364-L766 HydrophobicContact CB-CB 4.23Å; D364-L766 PolarHBondContact OD2-N 2.81Å
365	A	95.9	Very high	93.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-71.7	-44.6	-176.1	0	0	0	0	0	114.1	F332 F335 I336 I339 Q361 V362 V363 S368 S369	F332-A365 HydrophobicContact CD2-CB 3.81Å; F332-A365 HydrophobicContact CE2-CB 3.86Å; F335-A365 HydrophobicContact CD1-CB 3.91Å; F335-A365 HydrophobicContact CE1-CB 4.24Å; I336-A365 HydrophobicContact CG1-CB 4.3Å; I339-A365 HydrophobicContact CD1-CB 4.04Å; Q361-A365 WeakPolarHBondContact O-CB 3.31Å; Q361-A365 PolarHBondContact O-N 3.07Å; Q361-A365 VanDerWaalsContact O-N 3.07Å; V362-A365 PolarHBondContact O-N 2.76Å; V363-A365 VanDerWaalsContact C-N 3.31Å; V363-A365 PolarHBondContact O-N 3.13Å; A365-S368 PolarHBondContact O-N 2.78Å; A365-S369 PolarHBondContact O-N 2.76Å; A365-S369 VanDerWaalsContact O-N 3.09Å
366	V	97	Very high	94.1	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.012	14%	0.144	C	C	.	.	H	α-helix	trans	-65.2	-42.2	179.2	175.6	0	0	0	0	110	I339 I347 L351 V362 S369 S374 M378	I339-V366 HydrophobicContact CD1-CG2 3.92Å; I347-V366 HydrophobicContact CG2-CB 4.41Å; I347-V366 HydrophobicContact CG2-CG1 3.53Å; I347-V366 HydrophobicContact CG2-CG2 3.86Å; L351-V366 HydrophobicContact CD2-CG2 4.45Å; L351-V366 HydrophobicContact CG-CG2 4.49Å; V362-V366 HydrophobicContact CG1-CG2 3.95Å; V362-V366 WeakPolarHBondContact O-CB 3.43Å; V362-V366 VanDerWaalsContact O-CG2 3.26Å; V362-V366 WeakPolarHBondContact O-CG2 3.5Å; V362-V366 PolarHBondContact O-N 3.45Å; V366-S369 WeakPolarHBondContact O-CB 3.4Å; V366-S369 PolarHBondContact O-N 3.42Å; V366-S369 PolarHBondContact O-OG 3.38Å; V366-S374 WeakPolarHBondContact O-CB 3.39Å; V366-M378 HydrophobicContact CB-CG 4.37Å; V366-M378 HydrophobicContact CB-SD 4Å; V366-M378 HydrophobicContact CG1-CG 3.67Å; V366-M378 HydrophobicContact CG1-SD 3.78Å
367	T	96.2	Very high	94.5	Very high	9 Å²	9	16.6 Å²	16.6	6%	0.055	10%	0.102	C	C	.	.	H	α-helix	trans	-66.7	-47.2	177.2	-46.5	0	0	0	0	111.2	V363 S369 Q370 F396 A399	V363-T367 VanDerWaalsContact O-CB 3.3Å; V363-T367 WeakPolarHBondContact O-CB 3.41Å; V363-T367 PolarHBondContact O-N 3.2Å; V363-T367 PolarHBondContact O-OG1 3.03Å; T367-S369 PolarHBondContact O-N 2.83Å; T367-S369 VanDerWaalsContact O-N 3.11Å; T367-Q370 PolarHBondContact O-N 3.43Å; T367-Q370 VanDerWaalsContact O-N 3.16Å; T367-F396 HydrophobicContact CG2-CD2 3.77Å; T367-F396 HydrophobicContact CG2-CE2 4.14Å; T367-A399 HydrophobicContact CG2-CB 3.66Å
368	S	95.4	Very high	94.9	Very high	6 Å²	6	13.4 Å²	13.4	4%	0.042	8%	0.082	C	C	.	.	H	α-helix	trans	-59.5	-23.4	177.3	-63.2	0	0	0	0	114.1	D364 A365 Q370 L768	D364-S368 WeakPolarHBondContact O-CB 3.45Å; D364-S368 PolarHBondContact O-N 3.08Å; D364-S368 PolarHBondContact O-OG 3.34Å; A365-S368 PolarHBondContact O-N 2.78Å; S368-Q370 WeakPolarHBondContact O-CG 3.48Å; S368-Q370 PolarHBondContact O-N 3.18Å; S368-Q370 PolarHBondContact O-NE2 3.19Å; S368-L768 WeakPolarHBondContact O-CD2 3.26Å
369	S	94.1	Very high	95.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-22.4	178.7	78.5	0	0	0	0	114.1	I339 R340 A365 V366 T367 T371 S374	I339-S369 VanDerWaalsContact CG2-OG 3.26Å; I339-S369 WeakPolarHBondContact CG2-OG 3.41Å; R340-S369 WeakPolarHBondContact CG-O 3.46Å; R340-S369 PolarHBondContact NE-O 3.45Å; A365-S369 PolarHBondContact O-N 2.76Å; A365-S369 VanDerWaalsContact O-N 3.09Å; V366-S369 WeakPolarHBondContact O-CB 3.4Å; V366-S369 PolarHBondContact O-N 3.42Å; V366-S369 PolarHBondContact O-OG 3.38Å; T367-S369 PolarHBondContact O-N 2.83Å; T367-S369 VanDerWaalsContact O-N 3.11Å; S369-T371 VanDerWaalsContact C-N 3.27Å; S369-T371 PolarHBondContact O-N 3.11Å; S369-S374 WeakPolarHBondContact OG-CB 3.5Å; S369-S374 PolarHBondContact OG-OG 2.9Å
370	Q	93.8	Very high	95.1	Very high	14 Å²	14	19.8 Å²	19.8	7%	0.065	11%	0.113	C	C	.	.			trans	60.2	19.1	168.8	-70.1	163.4	94.6	0	0	116.9	T367 S368 A403 S404 H405 M410	T367-Q370 PolarHBondContact O-N 3.43Å; T367-Q370 VanDerWaalsContact O-N 3.16Å; S368-Q370 WeakPolarHBondContact O-CG 3.48Å; S368-Q370 PolarHBondContact O-N 3.18Å; S368-Q370 PolarHBondContact O-NE2 3.19Å; Q370-A403 HydrophobicContact CG-CB 4.49Å; Q370-S404 PolarHBondContact NE2-OG 3.07Å; Q370-S404 PolarHBondContact OE1-OG 3.22Å; Q370-H405 PolarHBondContact OE1-ND1 3.31Å; Q370-M410 HydrophobicContact CG-CE 4.21Å
371	T	93.1	Very high	95.2	Very high	28 Å²	28	21.5 Å²	21.5	17%	0.172	12%	0.119	C	C	.	.			trans	-86.3	160.2	175.4	76.6	0	0	0	0	113.3	R340 S369 A373 S374 L375	R340-T371 HydrophobicContact CB-CG2 4.27Å; R340-T371 HydrophobicContact CG-CG2 3.97Å; S369-T371 VanDerWaalsContact C-N 3.27Å; S369-T371 PolarHBondContact O-N 3.11Å; T371-A373 VanDerWaalsContact C-N 3.33Å; T371-A373 PolarHBondContact O-N 3.43Å; T371-A373 PolarHBondContact OG1-N 3.37Å; T371-S374 WeakPolarHBondContact CA-OG 3.35Å; T371-S374 PolarHBondContact N-OG 3.16Å; T371-S374 PolarHBondContact O-N 2.85Å; T371-S374 PolarHBondContact O-OG 3.38Å; T371-S374 WeakPolarHBondContact OG1-CB 3.04Å; T371-S374 PolarHBondContact OG1-N 3.47Å; T371-S374 PolarHBondContact OG1-OG 2.83Å; T371-L375 PolarHBondContact O-N 3.45Å
372	P	93.5	Very high	95.2	Very high	75 Å²	75	22.1 Å²	22.1	49%	0.487	12%	0.122	S	C	.	.	H	α-helix	trans	-58.5	-41.5	170.1	-25.4	35.4	0	0	0	113.2	L375 D376	P372-L375 PolarHBondContact O-N 2.7Å; P372-D376 WeakPolarHBondContact O-CB 3.01Å; P372-D376 PolarHBondContact O-N 2.9Å
373	A	94.8	Very high	95	Very high	28 Å²	28	26.3 Å²	26.3	23%	0.231	14%	0.144	C	C	.	.	H	α-helix	trans	-68.1	-37.3	-178	0	0	0	0	0	112.7	T371 A377	T371-A373 VanDerWaalsContact C-N 3.33Å; T371-A373 PolarHBondContact O-N 3.43Å; T371-A373 PolarHBondContact OG1-N 3.37Å; A373-A377 WeakPolarHBondContact O-CB 3.34Å; A373-A377 PolarHBondContact O-N 3.28Å
374	S	96.2	Very high	94.7	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.014	15%	0.148	C	C	.	.	H	α-helix	trans	-71.9	-38.7	175.5	56.5	0	0	0	0	112.4	V366 S369 T371 A377 M378	V366-S374 WeakPolarHBondContact O-CB 3.39Å; S369-S374 WeakPolarHBondContact OG-CB 3.5Å; S369-S374 PolarHBondContact OG-OG 2.9Å; T371-S374 WeakPolarHBondContact CA-OG 3.35Å; T371-S374 PolarHBondContact N-OG 3.16Å; T371-S374 PolarHBondContact O-N 2.85Å; T371-S374 PolarHBondContact O-OG 3.38Å; T371-S374 WeakPolarHBondContact OG1-CB 3.04Å; T371-S374 PolarHBondContact OG1-N 3.47Å; T371-S374 PolarHBondContact OG1-OG 2.83Å; S374-A377 PolarHBondContact O-N 2.7Å; S374-M378 WeakPolarHBondContact O-CG 3.47Å; S374-M378 PolarHBondContact O-N 2.79Å
375	L	96.3	Very high	94.5	Very high	15 Å²	15	30.5 Å²	30.5	8%	0.079	17%	0.169	C	C	.	.	H	α-helix	trans	-63.3	-46.6	173.2	179.9	60.4	0	0	0	110.9	T371 P372 A377 M378 L379 F396 R409 M410 A413	T371-L375 PolarHBondContact O-N 3.45Å; P372-L375 PolarHBondContact O-N 2.7Å; L375-A377 VanDerWaalsContact C-N 3.28Å; L375-A377 PolarHBondContact O-N 2.85Å; L375-M378 PolarHBondContact O-N 2.96Å; L375-L379 HydrophobicContact CD1-CD1 4.05Å; L375-L379 HydrophobicContact CD1-CG 4.17Å; L375-L379 HydrophobicContact CG-CD1 3.93Å; L375-L379 HydrophobicContact CG-CG 4.46Å; L375-L379 VanDerWaalsContact O-CG 3.3Å; L375-L379 WeakPolarHBondContact O-CG 3.47Å; L375-L379 PolarHBondContact O-N 3.19Å; L375-F396 HydrophobicContact CD1-CE2 4.12Å; L375-F396 HydrophobicContact CD1-CZ 4.17Å; L375-R409 HydrophobicContact CD2-CG 4.11Å; L375-M410 HydrophobicContact CD2-CB 4.44Å; L375-A413 HydrophobicContact CD1-CB 4.48Å; L375-A413 HydrophobicContact CD2-CB 4.44Å
376	D	96.1	Very high	94	Very high	52 Å²	52	33.8 Å²	33.8	28%	0.278	19%	0.186	S	C	.	.	H	α-helix	trans	-64.6	-31.4	177.9	-67.9	-18.9	0	0	0	112.7	K344 P372 E380 R409	K344-D376 HydrophobicContact CD-CB 4.32Å; K344-D376 WeakPolarHBondContact CE-O 3.38Å; K344-D376 HydrophobicContact CG-CB 4.39Å; P372-D376 WeakPolarHBondContact O-CB 3.01Å; P372-D376 PolarHBondContact O-N 2.9Å; D376-E380 PolarHBondContact O-N 2.79Å; D376-R409 IonicContact OD1-CZ 2.69Å; D376-R409 IonicContact OD1-NE 2.75Å; D376-R409 IonicContact OD1-NH2 2.68Å; D376-R409 PolarHBondContact OD1-NH2 2.66Å; D376-R409 IonicContact OD2-CZ 2.92Å; D376-R409 IonicContact OD2-NH2 2.69Å; D376-R409 PolarHBondContact OD2-NH2 3.09Å
377	A	96.8	Very high	93.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68.9	-43.9	172.3	0	0	0	0	0	111.9	K344 I347 L348 L351 A373 S374 L375 E380 F381	K344-A377 HydrophobicContact CG-CB 3.97Å; I347-A377 HydrophobicContact CB-CB 4.05Å; I347-A377 HydrophobicContact CG2-CB 3.6Å; L348-A377 HydrophobicContact CD2-CB 4.1Å; L348-A377 WeakPolarHBondContact CD2-O 3.42Å; L348-A377 HydrophobicContact CG-CB 3.92Å; L351-A377 HydrophobicContact CD1-CB 4.46Å; A373-A377 WeakPolarHBondContact O-CB 3.34Å; A373-A377 PolarHBondContact O-N 3.28Å; S374-A377 PolarHBondContact O-N 2.7Å; L375-A377 VanDerWaalsContact C-N 3.28Å; L375-A377 PolarHBondContact O-N 2.85Å; A377-E380 PolarHBondContact O-N 2.79Å; A377-F381 VanDerWaalsContact O-CB 3.3Å; A377-F381 WeakPolarHBondContact O-CB 3.38Å; A377-F381 PolarHBondContact O-N 2.89Å
378	M	96.1	Very high	92.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.8	-39.9	176.8	-74	-54.5	-50.7	0	0	112.7	L351 V363 V366 S374 L375 E380 F381 L382 F396	L351-M378 HydrophobicContact CD1-SD 4.03Å; L351-M378 HydrophobicContact CD2-SD 4.1Å; V363-M378 HydrophobicContact CB-CE 4.25Å; V363-M378 HydrophobicContact CG1-CE 3.69Å; V363-M378 HydrophobicContact CG2-CE 3.91Å; V363-M378 HydrophobicContact CG2-SD 4.46Å; V366-M378 HydrophobicContact CB-CG 4.37Å; V366-M378 HydrophobicContact CB-SD 4Å; V366-M378 HydrophobicContact CG1-CG 3.67Å; V366-M378 HydrophobicContact CG1-SD 3.78Å; S374-M378 WeakPolarHBondContact O-CG 3.47Å; S374-M378 PolarHBondContact O-N 2.79Å; L375-M378 PolarHBondContact O-N 2.96Å; M378-E380 VanDerWaalsContact C-N 3.35Å; M378-F381 PolarHBondContact O-N 2.87Å; M378-L382 HydrophobicContact CE-CD1 3.4Å; M378-L382 VanDerWaalsContact CE-CD1 3.4Å; M378-L382 HydrophobicContact CE-CD2 4.32Å; M378-L382 HydrophobicContact CE-CG 3.69Å; M378-L382 WeakPolarHBondContact O-CB 3.36Å; M378-L382 PolarHBondContact O-N 3.19Å; M378-F396 HydrophobicContact CB-CD2 3.98Å; M378-F396 HydrophobicContact CB-CE2 3.85Å; M378-F396 HydrophobicContact CE-CB 4.24Å; M378-F396 HydrophobicContact CE-CD2 3.96Å; M378-F396 HydrophobicContact CE-CG 4.41Å; M378-F396 HydrophobicContact CG-CD2 4.22Å; M378-F396 HydrophobicContact CG-CE2 4.41Å
379	L	94.6	Very high	91.4	Very high	63 Å²	63	45.6 Å²	45.6	33%	0.33	25%	0.252	S	S	.	.	H	α-helix	trans	-71.6	-24.3	178.6	-66.1	171.4	0	0	0	113.6	L375 F396 A413 I417	L375-L379 HydrophobicContact CD1-CD1 4.05Å; L375-L379 HydrophobicContact CD1-CG 4.17Å; L375-L379 HydrophobicContact CG-CD1 3.93Å; L375-L379 HydrophobicContact CG-CG 4.46Å; L375-L379 VanDerWaalsContact O-CG 3.3Å; L375-L379 WeakPolarHBondContact O-CG 3.47Å; L375-L379 PolarHBondContact O-N 3.19Å; L379-F396 HydrophobicContact CD2-CZ 4.27Å; L379-A413 HydrophobicContact CD1-CB 3.84Å; L379-A413 HydrophobicContact CD2-CB 4.27Å; L379-I417 HydrophobicContact CD2-CD1 3.87Å
380	E	95.3	Very high	90.8	Very high	96 Å²	96	47.7 Å²	47.7	45%	0.449	27%	0.266	S	S	.	.	H	α-helix	trans	-79.2	-36.1	168.2	-175.7	-168.6	120.3	0	0	111.6	K344 L348 K352 D376 A377 M378	K344-E380 IonicContact NZ-OE2 3.19Å; K344-E380 PolarHBondContact NZ-OE2 3.31Å; L348-E380 WeakPolarHBondContact CD1-OE1 3.29Å; L348-E380 WeakPolarHBondContact CD1-OE2 3.49Å; L348-E380 HydrophobicContact CD2-CB 4.25Å; L348-E380 HydrophobicContact CD2-CG 4.45Å; K352-E380 IonicContact NZ-OE1 3.93Å; K352-E380 PolarHBondContact NZ-OE1 2.99Å; D376-E380 PolarHBondContact O-N 2.79Å; A377-E380 PolarHBondContact O-N 2.79Å; M378-E380 VanDerWaalsContact C-N 3.35Å
381	F	94.8	Very high	90.4	Very high	53 Å²	53	50.9 Å²	50.9	23%	0.232	29%	0.287	C	S	.	.	H	α-helix	trans	-78.6	-35.3	-173.6	-175	-101.5	0	0	0	113.8	L348 L351 K352 L359 A377 M378	L348-F381 HydrophobicContact CD2-CB 4.32Å; L351-F381 HydrophobicContact CB-CD1 4.48Å; L351-F381 HydrophobicContact CB-CD2 3.83Å; L351-F381 HydrophobicContact CB-CE1 4.49Å; L351-F381 HydrophobicContact CB-CE2 3.84Å; L351-F381 HydrophobicContact CB-CG 4.16Å; L351-F381 HydrophobicContact CB-CZ 4.18Å; L351-F381 HydrophobicContact CD1-CB 4.12Å; L351-F381 HydrophobicContact CD1-CD1 4.45Å; L351-F381 HydrophobicContact CD1-CG 4.12Å; L351-F381 HydrophobicContact CD2-CD1 4.12Å; L351-F381 HydrophobicContact CD2-CE1 4.17Å; K352-F381 HydrophobicContact CG-CD2 4.26Å; K352-F381 HydrophobicContact CG-CE2 4.12Å; L359-F381 HydrophobicContact CD1-CE1 3.83Å; L359-F381 HydrophobicContact CD1-CZ 3.73Å; L359-F381 HydrophobicContact CD2-CE1 4.28Å; L359-F381 HydrophobicContact CD2-CZ 4Å; L359-F381 HydrophobicContact CG-CE1 4.48Å; L359-F381 HydrophobicContact CG-CZ 4.46Å; A377-F381 VanDerWaalsContact O-CB 3.3Å; A377-F381 WeakPolarHBondContact O-CB 3.38Å; A377-F381 PolarHBondContact O-N 2.89Å; M378-F381 PolarHBondContact O-N 2.87Å
382	L	93.6	Very high	90.4	Very high	15 Å²	15	51.1 Å²	51.1	8%	0.079	29%	0.287	C	S	.	.			trans	-93.7	115	-177.4	-66.7	179.9	0	0	0	112.6	M378 F384 L392 F396	M378-L382 HydrophobicContact CE-CD1 3.4Å; M378-L382 VanDerWaalsContact CE-CD1 3.4Å; M378-L382 HydrophobicContact CE-CD2 4.32Å; M378-L382 HydrophobicContact CE-CG 3.69Å; M378-L382 WeakPolarHBondContact O-CB 3.36Å; M378-L382 PolarHBondContact O-N 3.19Å; L382-F384 HydrophobicContact CB-CE2 3.96Å; L382-F384 HydrophobicContact CD1-CZ 4.44Å; L382-L392 HydrophobicContact CD2-CB 3.75Å; L382-F396 HydrophobicContact CD1-CB 3.42Å; L382-F396 VanDerWaalsContact CD1-CB 3.42Å; L382-F396 HydrophobicContact CD1-CD1 4.01Å; L382-F396 HydrophobicContact CD1-CD2 4.15Å; L382-F396 HydrophobicContact CD1-CG 3.6Å
383	N	91.6	Very high	90.3	Very high	88 Å²	88	47.6 Å²	47.6	47%	0.471	26%	0.264	S	S	.	.			trans	-93.7	104.4	170.9	-178.3	12.8	0	0	0	111.6	T385 D386 Q393	N383-T385 VanDerWaalsContact CG-OG1 3.22Å; N383-T385 PolarHBondContact ND2-OG1 3.49Å; N383-T385 PolarHBondContact O-N 3.44Å; N383-T385 WeakPolarHBondContact OD1-CB 3.34Å; N383-T385 PolarHBondContact OD1-N 2.88Å; N383-T385 PolarHBondContact OD1-OG1 2.97Å; N383-D386 PolarHBondContact O-N 3.24Å; N383-Q393 PolarHBondContact O-NE2 3.27Å
384	F	89.7	Confident	90.1	Very high	18 Å²	18	48.5 Å²	48.5	8%	0.079	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-11.1	176.6	-69.8	-94.3	0	0	0	114.2	L382 Q393 F396 L397 I417 S423 I427	L382-F384 HydrophobicContact CB-CE2 3.96Å; L382-F384 HydrophobicContact CD1-CZ 4.44Å; F384-Q393 HydrophobicContact CD1-CB 4.19Å; F384-Q393 HydrophobicContact CD1-CG 3.92Å; F384-Q393 HydrophobicContact CE1-CB 3.82Å; F384-Q393 HydrophobicContact CE1-CG 3.92Å; F384-Q393 HydrophobicContact CG-CG 4.42Å; F384-Q393 HydrophobicContact CZ-CB 4.45Å; F384-Q393 HydrophobicContact CZ-CG 4.41Å; F384-F396 AromaticContact CZ-CD1 3.91Å; F384-F396 HydrophobicContact CZ-CD1 3.91Å; F384-F396 HydrophobicContact CZ-CE1 4.04Å; F384-L397 HydrophobicContact CE1-CD1 4.49Å; F384-I417 HydrophobicContact CB-CG2 4.46Å; F384-I417 HydrophobicContact CD1-CG2 3.75Å; F384-I417 HydrophobicContact CD2-CD1 4.27Å; F384-I417 HydrophobicContact CD2-CG1 4.26Å; F384-I417 HydrophobicContact CD2-CG2 4.16Å; F384-I417 HydrophobicContact CE1-CG2 3.98Å; F384-I417 HydrophobicContact CE2-CD1 3.65Å; F384-I417 HydrophobicContact CE2-CG1 4.15Å; F384-I417 HydrophobicContact CE2-CG2 4.37Å; F384-I417 HydrophobicContact CG-CG2 3.85Å; F384-I417 HydrophobicContact CZ-CD1 3.79Å; F384-I417 HydrophobicContact CZ-CG2 4.29Å; F384-S423 PolarHBondContact O-N 3.13Å; F384-S423 PolarHBondContact O-OG 2.95Å; F384-I427 HydrophobicContact CD1-CG2 3.97Å; F384-I427 HydrophobicContact CE1-CG2 4.19Å
385	T	89.3	Confident	89.8	Confident	77 Å²	77	50.4 Å²	50.4	47%	0.472	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-8.5	172.8	70.5	0	0	0	0	113.8	N383 K421 S423	N383-T385 VanDerWaalsContact CG-OG1 3.22Å; N383-T385 PolarHBondContact ND2-OG1 3.49Å; N383-T385 PolarHBondContact O-N 3.44Å; N383-T385 WeakPolarHBondContact OD1-CB 3.34Å; N383-T385 PolarHBondContact OD1-N 2.88Å; N383-T385 PolarHBondContact OD1-OG1 2.97Å; T385-K421 HydrophobicContact CG2-CB 4.3Å; T385-K421 WeakPolarHBondContact CG2-O 3.35Å; T385-S423 WeakPolarHBondContact O-CB 3.42Å
386	D	86.7	Confident	89.8	Confident	69 Å²	69	49.8 Å²	49.8	37%	0.369	27%	0.267	S	S	.	.			trans	-101.2	117.6	174.4	-175.9	9	0	0	0	111.3	N383 K388 G389 Q393 S423	N383-D386 PolarHBondContact O-N 3.24Å; D386-K388 PolarHBondContact O-N 3.04Å; D386-K388 WeakPolarHBondContact OD1-CB 3.34Å; D386-K388 PolarHBondContact OD1-N 3.1Å; D386-G389 PolarHBondContact O-N 3.2Å; D386-Q393 PolarHBondContact O-NE2 3.01Å; D386-S423 VanDerWaalsContact C-OG 3.31Å
387	A	77.7	Confident	89.7	Confident	59 Å²	59	47.3 Å²	47.3	49%	0.488	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-66.4	-23.2	177	0	0	0	0	0	112.8	G389 S390 S423	A387-G389 PolarHBondContact O-N 3.13Å; A387-S390 PolarHBondContact O-N 2.72Å; A387-S423 PolarHBondContact N-OG 3.18Å
388	K	77.5	Confident	89.5	Confident	189 Å²	189	48.9 Å²	48.9	82%	0.822	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-71.9	-13.7	177.3	-60	171.9	-178.4	173.2	0	112.9	D386	D386-K388 PolarHBondContact O-N 3.04Å; D386-K388 WeakPolarHBondContact OD1-CB 3.34Å; D386-K388 PolarHBondContact OD1-N 3.1Å
389	G	78.4	Confident	89.3	Confident	17 Å²	17	49.2 Å²	49.2	18%	0.175	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-88	-0.1	177.1	0	0	0	0	0	115	D386 A387 V391 L392 Q393	D386-G389 PolarHBondContact O-N 3.2Å; A387-G389 PolarHBondContact O-N 3.13Å; G389-V391 PolarHBondContact O-N 2.98Å; G389-L392 PolarHBondContact O-N 2.9Å; G389-Q393 WeakPolarHBondContact O-CG 3.15Å; G389-Q393 PolarHBondContact O-N 2.85Å
390	S	80.6	Confident	89.4	Confident	43 Å²	43	46.2 Å²	46.2	30%	0.301	25%	0.247	S	C	.	.	H	α-helix	trans	-47.2	-50.3	-169.4	56.6	0	0	0	0	114.2	A387 L392 Q393 E394	A387-S390 PolarHBondContact O-N 2.72Å; S390-L392 VanDerWaalsContact C-N 3.31Å; S390-L392 PolarHBondContact O-N 2.83Å; S390-Q393 WeakPolarHBondContact O-CB 3.44Å; S390-Q393 PolarHBondContact O-N 3.26Å; S390-E394 WeakPolarHBondContact O-CB 3.07Å; S390-E394 PolarHBondContact O-N 2.89Å
391	V	86.6	Confident	89.2	Confident	81 Å²	81	41.7 Å²	41.7	49%	0.491	23%	0.226	S	C	.	.	H	α-helix	trans	-58	-40.7	-180	-178.5	0	0	0	0	112.1	G389 R395	G389-V391 PolarHBondContact O-N 2.98Å; V391-R395 WeakPolarHBondContact O-CG 3.48Å; V391-R395 PolarHBondContact O-N 2.69Å
392	L	91.5	Very high	88.9	Confident	34 Å²	34	40.6 Å²	40.6	18%	0.178	22%	0.221	C	C	.	.	H	α-helix	trans	-77.8	-32.6	-179.4	-58.9	178.3	0	0	0	112.1	L359 P360 V363 L382 G389 S390 F396	L359-L392 HydrophobicContact CD2-CD1 3.59Å; L359-L392 HydrophobicContact CD2-CD2 4.45Å; L359-L392 HydrophobicContact CG-CD1 4.05Å; L359-L392 HydrophobicContact CG-CD2 4.09Å; P360-L392 HydrophobicContact CB-CD2 4.31Å; P360-L392 HydrophobicContact CG-CD2 3.97Å; V363-L392 HydrophobicContact CG2-CD2 4.29Å; L382-L392 HydrophobicContact CD2-CB 3.75Å; G389-L392 PolarHBondContact O-N 2.9Å; S390-L392 VanDerWaalsContact C-N 3.31Å; S390-L392 PolarHBondContact O-N 2.83Å; L392-F396 PolarHBondContact O-N 2.98Å
393	Q	93.1	Very high	88.9	Confident	1 Å²	1	40 Å²	40	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-63	-47.5	171.3	-64.9	157.3	13	0	0	110	N383 F384 D386 G389 S390 F396 L397 I427	N383-Q393 PolarHBondContact O-NE2 3.27Å; F384-Q393 HydrophobicContact CD1-CB 4.19Å; F384-Q393 HydrophobicContact CD1-CG 3.92Å; F384-Q393 HydrophobicContact CE1-CB 3.82Å; F384-Q393 HydrophobicContact CE1-CG 3.92Å; F384-Q393 HydrophobicContact CG-CG 4.42Å; F384-Q393 HydrophobicContact CZ-CB 4.45Å; F384-Q393 HydrophobicContact CZ-CG 4.41Å; D386-Q393 PolarHBondContact O-NE2 3.01Å; G389-Q393 WeakPolarHBondContact O-CG 3.15Å; G389-Q393 PolarHBondContact O-N 2.85Å; S390-Q393 WeakPolarHBondContact O-CB 3.44Å; S390-Q393 PolarHBondContact O-N 3.26Å; Q393-F396 PolarHBondContact O-N 3.44Å; Q393-L397 VanDerWaalsContact O-CG 3.29Å; Q393-L397 WeakPolarHBondContact O-CG 3.28Å; Q393-L397 PolarHBondContact O-N 3.04Å; Q393-I427 HydrophobicContact CB-CD1 4.12Å; Q393-I427 HydrophobicContact CB-CG2 4.2Å
394	E	89.2	Confident	88.8	Confident	47 Å²	47	35.9 Å²	35.9	22%	0.22	20%	0.196	C	C	.	.	H	α-helix	trans	-61.8	-45.5	177.9	-176.3	177.2	-143.2	0	0	112.3	S390 F396 L397 Y398 I427	S390-E394 WeakPolarHBondContact O-CB 3.07Å; S390-E394 PolarHBondContact O-N 2.89Å; E394-F396 VanDerWaalsContact C-N 3.34Å; E394-F396 PolarHBondContact O-N 3.14Å; E394-L397 PolarHBondContact O-N 2.94Å; E394-L397 VanDerWaalsContact O-N 3.13Å; E394-Y398 VanDerWaalsContact CD-CE2 3.45Å; E394-Y398 HydrophobicContact CG-CD2 3.75Å; E394-Y398 HydrophobicContact CG-CE1 4.44Å; E394-Y398 HydrophobicContact CG-CE2 3.23Å; E394-Y398 PolarHBondContact O-N 3.12Å; E394-Y398 WeakPolarHBondContact OE1-CE2 3.2Å; E394-Y398 VanDerWaalsContact OE1-CZ 3.25Å; E394-Y398 PolarHBondContact OE1-OH 3.3Å; E394-I427 HydrophobicContact CB-CD1 4.03Å
395	R	91	Very high	88.8	Confident	42 Å²	42	36.5 Å²	36.5	16%	0.158	20%	0.2	C	C	.	.	H	α-helix	trans	-56.2	-46.4	174.2	-73.3	-51.2	-169.9	81.7	9.3	112.9	P360 V363 D364 V391 L397 Y398 A399 K764	P360-R395 HydrophobicContact CB-CG 4.29Å; V363-R395 HydrophobicContact CG1-CB 3.86Å; D364-R395 IonicContact OD1-CZ 3.41Å; D364-R395 IonicContact OD1-NH1 3.21Å; D364-R395 PolarHBondContact OD1-NH1 3.41Å; D364-R395 IonicContact OD2-NH1 2.7Å; D364-R395 PolarHBondContact OD2-NH1 2.75Å; V391-R395 WeakPolarHBondContact O-CG 3.48Å; V391-R395 PolarHBondContact O-N 2.69Å; R395-L397 VanDerWaalsContact C-N 3.33Å; R395-L397 PolarHBondContact O-N 3.47Å; R395-Y398 PolarHBondContact O-N 3.37Å; R395-A399 VanDerWaalsContact O-CB 3.24Å; R395-A399 WeakPolarHBondContact O-CB 3.48Å; R395-A399 PolarHBondContact O-N 2.9Å; R395-K764 PolarHBondContact NH2-O 3.17Å
396	F	95.3	Very high	88.9	Confident	1 Å²	1	33 Å²	33	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-60.5	-42.8	176	164.5	-97	0	0	0	111.6	V363 T367 L375 M378 L379 L382 F384 L392 Q393 E394 A399 C400 L414 I417	V363-F396 HydrophobicContact CG1-CB 4.01Å; T367-F396 HydrophobicContact CG2-CD2 3.77Å; T367-F396 HydrophobicContact CG2-CE2 4.14Å; L375-F396 HydrophobicContact CD1-CE2 4.12Å; L375-F396 HydrophobicContact CD1-CZ 4.17Å; M378-F396 HydrophobicContact CB-CD2 3.98Å; M378-F396 HydrophobicContact CB-CE2 3.85Å; M378-F396 HydrophobicContact CE-CB 4.24Å; M378-F396 HydrophobicContact CE-CD2 3.96Å; M378-F396 HydrophobicContact CE-CG 4.41Å; M378-F396 HydrophobicContact CG-CD2 4.22Å; M378-F396 HydrophobicContact CG-CE2 4.41Å; L379-F396 HydrophobicContact CD2-CZ 4.27Å; L382-F396 HydrophobicContact CD1-CB 3.42Å; L382-F396 VanDerWaalsContact CD1-CB 3.42Å; L382-F396 HydrophobicContact CD1-CD1 4.01Å; L382-F396 HydrophobicContact CD1-CD2 4.15Å; L382-F396 HydrophobicContact CD1-CG 3.6Å; F384-F396 AromaticContact CZ-CD1 3.91Å; F384-F396 HydrophobicContact CZ-CD1 3.91Å; F384-F396 HydrophobicContact CZ-CE1 4.04Å; L392-F396 PolarHBondContact O-N 2.98Å; Q393-F396 PolarHBondContact O-N 3.44Å; E394-F396 VanDerWaalsContact C-N 3.34Å; E394-F396 PolarHBondContact O-N 3.14Å; F396-A399 PolarHBondContact O-N 2.89Å; F396-C400 WeakPolarHBondContact O-CB 3.22Å; F396-C400 PolarHBondContact O-N 3.34Å; F396-L414 HydrophobicContact CE1-CD2 3.82Å; F396-L414 HydrophobicContact CZ-CD2 4.29Å; F396-I417 HydrophobicContact CE1-CD1 4.21Å
397	L	94.9	Very high	89	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.8	-46	178.6	-66.1	171.3	0	0	0	112.2	F384 Q393 E394 R395 C400 G401 L414 I427 V431 I434	F384-L397 HydrophobicContact CE1-CD1 4.49Å; Q393-L397 VanDerWaalsContact O-CG 3.29Å; Q393-L397 WeakPolarHBondContact O-CG 3.28Å; Q393-L397 PolarHBondContact O-N 3.04Å; E394-L397 PolarHBondContact O-N 2.94Å; E394-L397 VanDerWaalsContact O-N 3.13Å; R395-L397 VanDerWaalsContact C-N 3.33Å; R395-L397 PolarHBondContact O-N 3.47Å; L397-C400 WeakPolarHBondContact O-CB 3.41Å; L397-C400 PolarHBondContact O-N 2.89Å; L397-G401 PolarHBondContact O-N 3.36Å; L397-L414 HydrophobicContact CD2-CD1 4.44Å; L397-L414 HydrophobicContact CD2-CD2 3.66Å; L397-I427 HydrophobicContact CD1-CG2 4.03Å; L397-V431 HydrophobicContact CD1-CG2 3.64Å; L397-V431 HydrophobicContact CD2-CB 4.46Å; L397-V431 HydrophobicContact CD2-CG2 3.79Å; L397-V431 HydrophobicContact CG-CG2 4.38Å; L397-I434 HydrophobicContact CB-CG1 4.42Å; L397-I434 WeakPolarHBondContact O-CG2 3.35Å
398	Y	91.6	Very high	89.7	Confident	33 Å²	33	33.4 Å²	33.4	13%	0.129	17%	0.17	C	C	.	.	H	α-helix	trans	-66.7	-37.4	175.9	-63.5	-26.7	0	0	0	112.4	E394 R395 C400 G401 F402 I434 L736	E394-Y398 VanDerWaalsContact CD-CE2 3.45Å; E394-Y398 HydrophobicContact CG-CD2 3.75Å; E394-Y398 HydrophobicContact CG-CE1 4.44Å; E394-Y398 HydrophobicContact CG-CE2 3.23Å; E394-Y398 PolarHBondContact O-N 3.12Å; E394-Y398 WeakPolarHBondContact OE1-CE2 3.2Å; E394-Y398 VanDerWaalsContact OE1-CZ 3.25Å; E394-Y398 PolarHBondContact OE1-OH 3.3Å; R395-Y398 PolarHBondContact O-N 3.37Å; Y398-C400 VanDerWaalsContact C-N 3.34Å; Y398-C400 PolarHBondContact O-N 3.22Å; Y398-G401 CarbonylContact O-C 3.56Å; Y398-G401 WeakPolarHBondContact O-CA 3.34Å; Y398-G401 PolarHBondContact O-N 3.42Å; Y398-F402 WeakPolarHBondContact O-CD2 3.31Å; Y398-F402 WeakPolarHBondContact O-CG 2.94Å; Y398-F402 PolarHBondContact O-N 2.92Å; Y398-I434 HydrophobicContact CD1-CD1 4.22Å; Y398-I434 HydrophobicContact CD1-CG1 4.46Å; Y398-L736 HydrophobicContact CD1-CD2 3.8Å; Y398-L736 HydrophobicContact CE1-CB 4.3Å; Y398-L736 HydrophobicContact CE1-CD2 3.97Å; Y398-L736 HydrophobicContact CG-CD2 4.32Å
399	A	93	Very high	90.5	Very high	8 Å²	8	30.2 Å²	30.2	7%	0.066	15%	0.152	C	C	.	.	H	α-helix	trans	-66.4	-32.3	173.5	0	0	0	0	0	113	T367 R395 F396 A403	T367-A399 HydrophobicContact CG2-CB 3.66Å; R395-A399 VanDerWaalsContact O-CB 3.24Å; R395-A399 WeakPolarHBondContact O-CB 3.48Å; R395-A399 PolarHBondContact O-N 2.9Å; F396-A399 PolarHBondContact O-N 2.89Å; A399-A403 PolarHBondContact O-N 2.77Å
400	C	95.2	Very high	91.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.7	-41.9	165.6	-80.6	0	0	0	0	111.8	F396 L397 Y398 F402 A403 M410 L414 I434 L438	F396-C400 WeakPolarHBondContact O-CB 3.22Å; F396-C400 PolarHBondContact O-N 3.34Å; L397-C400 WeakPolarHBondContact O-CB 3.41Å; L397-C400 PolarHBondContact O-N 2.89Å; Y398-C400 VanDerWaalsContact C-N 3.34Å; Y398-C400 PolarHBondContact O-N 3.22Å; C400-F402 VanDerWaalsContact C-N 3.33Å; C400-F402 PolarHBondContact O-N 2.71Å; C400-A403 WeakPolarHBondContact O-CB 3.46Å; C400-A403 PolarHBondContact O-N 2.94Å; C400-A403 VanDerWaalsContact O-N 3.12Å; C400-M410 HydrophobicContact CB-SD 3.97Å; C400-M410 VanDerWaalsContact SG-SD 3.66Å; C400-L414 HydrophobicContact CB-CD1 4.46Å; C400-I434 HydrophobicContact CB-CG2 4.25Å; C400-L438 WeakPolarHBondContact O-CD2 3.48Å
401	G	91.5	Very high	92	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-56	-45.3	173.3	0	0	0	0	0	112.8	L397 Y398 A403 K441	L397-G401 PolarHBondContact O-N 3.36Å; Y398-G401 CarbonylContact O-C 3.56Å; Y398-G401 WeakPolarHBondContact O-CA 3.34Å; Y398-G401 PolarHBondContact O-N 3.42Å; G401-A403 VanDerWaalsContact C-N 3.27Å; G401-A403 PolarHBondContact O-N 2.87Å; G401-K441 PolarHBondContact O-NZ 3.29Å
402	F	90.1	Very high	92.5	Very high	30 Å²	30	26.5 Å²	26.5	13%	0.132	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	5	177.8	-56.3	-50	0	0	0	114.6	Y398 C400 S404 L731 F732 V734 L736 I767	Y398-F402 WeakPolarHBondContact O-CD2 3.31Å; Y398-F402 WeakPolarHBondContact O-CG 2.94Å; Y398-F402 PolarHBondContact O-N 2.92Å; C400-F402 VanDerWaalsContact C-N 3.33Å; C400-F402 PolarHBondContact O-N 2.71Å; F402-S404 PolarHBondContact O-N 3.49Å; F402-L731 HydrophobicContact CE1-CB 3.98Å; F402-L731 HydrophobicContact CZ-CB 4.02Å; F402-L731 HydrophobicContact CZ-CD1 4.25Å; F402-F732 HydrophobicContact CE1-CD2 4.38Å; F402-V734 HydrophobicContact CD1-CB 4.46Å; F402-V734 HydrophobicContact CD1-CG2 4.14Å; F402-V734 HydrophobicContact CE1-CB 4.08Å; F402-V734 HydrophobicContact CE1-CG2 4.26Å; F402-L736 HydrophobicContact CZ-CD2 4.03Å; F402-I767 HydrophobicContact CB-CG2 3.78Å; F402-I767 HydrophobicContact CD2-CD1 3.81Å; F402-I767 HydrophobicContact CD2-CG1 4.02Å; F402-I767 HydrophobicContact CD2-CG2 4Å; F402-I767 HydrophobicContact CE2-CD1 3.62Å; F402-I767 HydrophobicContact CE2-CG1 4.25Å; F402-I767 HydrophobicContact CG-CD1 4.41Å; F402-I767 HydrophobicContact CG-CG2 3.86Å; F402-I767 HydrophobicContact CZ-CD1 4.08Å
403	A	92.6	Very high	92.7	Very high	2 Å²	2	25.3 Å²	25.3	2%	0.017	12%	0.116	C	C	.	.			trans	-51	133	177.1	0	0	0	0	0	111.8	Q370 A399 C400 G401 P406 M410 K441	Q370-A403 HydrophobicContact CG-CB 4.49Å; A399-A403 PolarHBondContact O-N 2.77Å; C400-A403 WeakPolarHBondContact O-CB 3.46Å; C400-A403 PolarHBondContact O-N 2.94Å; C400-A403 VanDerWaalsContact O-N 3.12Å; G401-A403 VanDerWaalsContact C-N 3.27Å; G401-A403 PolarHBondContact O-N 2.87Å; A403-P406 HydrophobicContact CB-CB 4.17Å; A403-M410 HydrophobicContact CB-CE 4.25Å; A403-M410 HydrophobicContact CB-SD 4.07Å; A403-K441 PolarHBondContact O-NZ 2.83Å
404	S	89.7	Confident	92.8	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.021	12%	0.116	C	C	.	.	S	Bend	trans	-79.8	-38.7	-176.7	54.5	0	0	0	0	112	T206 H207 Q370 F402 D771	T206-S404 WeakPolarHBondContact CA-O 3.48Å; H207-S404 PolarHBondContact ND1-O 2.81Å; Q370-S404 PolarHBondContact NE2-OG 3.07Å; Q370-S404 PolarHBondContact OE1-OG 3.22Å; F402-S404 PolarHBondContact O-N 3.49Å; S404-D771 WeakPolarHBondContact OG-CB 3.34Å; S404-D771 PolarHBondContact OG-OD2 3.14Å
405	H	89.5	Confident	93.2	Very high	31 Å²	31	23 Å²	23	14%	0.144	11%	0.105	C	C	.	.	S	Bend	trans	-136.1	70.1	179.2	56.7	-80	0	0	0	110	F204 Q370 D771	F204-H405 HydrophobicContact CB-CB 4.16Å; F204-H405 AromaticContact CD1-NE2 3.84Å; F204-H405 AromaticContact CD2-CE1 3.51Å; F204-H405 AromaticContact CD2-ND1 3.57Å; F204-H405 AromaticContact CE2-CE1 3.65Å; F204-H405 AromaticContact CG-CD2 3.97Å; F204-H405 AromaticContact CG-CE1 3.76Å; F204-H405 AromaticContact CG-ND1 3.88Å; F204-H405 AromaticContact CG-NE2 3.82Å; Q370-H405 PolarHBondContact OE1-ND1 3.31Å; H405-D771 IonicContact CE1-OD2 2.73Å; H405-D771 PolarHBondContact CE1-OD2 3.07Å; H405-D771 VanDerWaalsContact CE1-OD2 3.22Å; H405-D771 IonicContact ND1-OD2 2.73Å; H405-D771 PolarHBondContact ND1-OD2 2.68Å
406	P	90.8	Very high	93.4	Very high	4 Å²	4	25.5 Å²	25.5	3%	0.026	12%	0.121	C	C	.	.			trans	-62.8	160.1	179.5	29.2	-34.9	0	0	0	111.7	A403 M410 L438 K441 L442	A403-P406 HydrophobicContact CB-CB 4.17Å; P406-M410 HydrophobicContact CB-SD 4.48Å; P406-L438 HydrophobicContact CB-CD2 3.7Å; P406-L438 HydrophobicContact CG-CD2 4.36Å; P406-K441 HydrophobicContact CG-CB 3.63Å; P406-K441 HydrophobicContact CG-CD 4.02Å; P406-K441 HydrophobicContact CG-CG 4.46Å; P406-L442 WeakPolarHBondContact O-CD2 3.38Å
407	N	89.5	Confident	93.3	Very high	58 Å²	58	26.4 Å²	26.4	31%	0.31	13%	0.126	S	C	.	.			trans	-139.3	164.5	-179.5	59.3	60.2	0	0	0	111.8	R409 M410 L411	N407-R409 PolarHBondContact O-N 3.31Å; N407-R409 VanDerWaalsContact O-N 3.16Å; N407-R409 WeakPolarHBondContact OD1-CB 3.34Å; N407-R409 PolarHBondContact OD1-N 2.94Å; N407-M410 WeakPolarHBondContact O-CB 3.32Å; N407-M410 PolarHBondContact O-N 3.16Å; N407-M410 PolarHBondContact OD1-N 3.31Å; N407-L411 PolarHBondContact O-N 2.93Å
408	E	92.9	Very high	93.3	Very high	78 Å²	78	27.7 Å²	27.7	36%	0.364	14%	0.137	S	C	.	.	H	α-helix	trans	-50.8	-40.5	179.5	179	173.7	-151.2	0	0	112.6	M410 L411 Q412 I450 T452	E408-M410 VanDerWaalsContact C-N 3.33Å; E408-M410 PolarHBondContact O-N 3.3Å; E408-L411 PolarHBondContact O-N 2.93Å; E408-Q412 WeakPolarHBondContact O-CB 3.37Å; E408-Q412 PolarHBondContact O-N 3.16Å; E408-I450 HydrophobicContact CB-CG2 4.17Å; E408-I450 HydrophobicContact CG-CG2 3.76Å; E408-I450 WeakPolarHBondContact OE1-CG2 3.48Å; E408-T452 HydrophobicContact CG-CG2 4.42Å; E408-T452 WeakPolarHBondContact CG-OG1 3.35Å; E408-T452 WeakPolarHBondContact OE1-CB 3.42Å; E408-T452 PolarHBondContact OE1-OG1 3.11Å
409	R	93.7	Very high	93.3	Very high	121 Å²	121	31.3 Å²	31.3	46%	0.457	15%	0.153	S	C	.	.	H	α-helix	trans	-64.8	-35.7	-178.7	-174.3	179.6	178.4	154.2	0.6	112.4	L375 D376 N407 A413	L375-R409 HydrophobicContact CD2-CG 4.11Å; D376-R409 IonicContact OD1-CZ 2.69Å; D376-R409 IonicContact OD1-NE 2.75Å; D376-R409 IonicContact OD1-NH2 2.68Å; D376-R409 PolarHBondContact OD1-NH2 2.66Å; D376-R409 IonicContact OD2-CZ 2.92Å; D376-R409 IonicContact OD2-NH2 2.69Å; D376-R409 PolarHBondContact OD2-NH2 3.09Å; N407-R409 PolarHBondContact O-N 3.31Å; N407-R409 VanDerWaalsContact O-N 3.16Å; N407-R409 WeakPolarHBondContact OD1-CB 3.34Å; N407-R409 PolarHBondContact OD1-N 2.94Å; R409-A413 WeakPolarHBondContact O-CB 3.3Å; R409-A413 PolarHBondContact O-N 2.85Å
410	M	95.1	Very high	93.2	Very high	7 Å²	7	32.9 Å²	32.9	3%	0.034	17%	0.17	C	C	.	.	H	α-helix	trans	-66.4	-45	173	-173.3	-177.5	-72.8	0	0	111.2	Q370 L375 C400 A403 P406 N407 E408 A413 L414 L438	Q370-M410 HydrophobicContact CG-CE 4.21Å; L375-M410 HydrophobicContact CD2-CB 4.44Å; C400-M410 HydrophobicContact CB-SD 3.97Å; C400-M410 VanDerWaalsContact SG-SD 3.66Å; A403-M410 HydrophobicContact CB-CE 4.25Å; A403-M410 HydrophobicContact CB-SD 4.07Å; P406-M410 HydrophobicContact CB-SD 4.48Å; N407-M410 WeakPolarHBondContact O-CB 3.32Å; N407-M410 PolarHBondContact O-N 3.16Å; N407-M410 PolarHBondContact OD1-N 3.31Å; E408-M410 VanDerWaalsContact C-N 3.33Å; E408-M410 PolarHBondContact O-N 3.3Å; M410-A413 WeakPolarHBondContact O-CB 3.36Å; M410-A413 PolarHBondContact O-N 3.39Å; M410-L414 PolarHBondContact O-N 3.38Å; M410-L414 VanDerWaalsContact O-N 3.11Å; M410-L438 HydrophobicContact CG-CD1 4.05Å; M410-L438 HydrophobicContact SD-CD1 4.26Å; M410-L438 HydrophobicContact SD-CD2 4.11Å
411	L	96.3	Very high	93	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64	-42	177	-175.9	62.7	0	0	0	111.8	N407 E408 A413 L414 L415 M435 L438 V439 L442 T452 V453 V456	N407-L411 PolarHBondContact O-N 2.93Å; E408-L411 PolarHBondContact O-N 2.93Å; L411-A413 VanDerWaalsContact C-N 3.31Å; L411-A413 PolarHBondContact O-N 2.97Å; L411-L414 PolarHBondContact O-N 3.31Å; L411-L415 WeakPolarHBondContact O-CB 3.18Å; L411-L415 PolarHBondContact O-N 3.23Å; L411-M435 HydrophobicContact CD1-CB 4.28Å; L411-M435 HydrophobicContact CD1-CG 4.12Å; L411-L438 HydrophobicContact CB-CD1 4.41Å; L411-L438 HydrophobicContact CD1-CB 3.9Å; L411-L438 HydrophobicContact CD1-CD1 4.14Å; L411-V439 HydrophobicContact CD1-CG2 4.41Å; L411-V439 HydrophobicContact CD2-CG2 4.06Å; L411-L442 HydrophobicContact CB-CD1 4.18Å; L411-L442 HydrophobicContact CD2-CD1 3.91Å; L411-T452 HydrophobicContact CB-CG2 4.21Å; L411-T452 HydrophobicContact CD2-CG2 4.02Å; L411-T452 HydrophobicContact CG-CG2 3.92Å; L411-V453 HydrophobicContact CD2-CB 4.38Å; L411-V453 HydrophobicContact CD2-CG2 3.77Å; L411-V456 HydrophobicContact CD1-CG1 4.31Å; L411-V456 HydrophobicContact CD1-CG2 4.01Å; L411-V456 HydrophobicContact CD2-CB 4.35Å; L411-V456 HydrophobicContact CD2-CG2 4.07Å; L411-V456 HydrophobicContact CG-CG2 3.98Å
412	Q	96.1	Very high	93	Very high	56 Å²	56	42.6 Å²	42.6	26%	0.262	21%	0.214	S	C	.	.	H	α-helix	trans	-64.4	-35	176.5	-173.8	61.6	67.7	0	0	111.8	E408 N416 T452	E408-Q412 WeakPolarHBondContact O-CB 3.37Å; E408-Q412 PolarHBondContact O-N 3.16Å; Q412-N416 PolarHBondContact NE2-OD1 3.33Å; Q412-N416 WeakPolarHBondContact O-CB 3.42Å; Q412-N416 PolarHBondContact O-N 2.95Å; Q412-N416 PolarHBondContact O-ND2 3.25Å; Q412-N416 PolarHBondContact O-OD1 3.31Å; Q412-T452 HydrophobicContact CB-CG2 3.91Å; Q412-T452 PolarHBondContact OE1-OG1 2.82Å
413	A	95.8	Very high	92.9	Very high	10 Å²	10	43.4 Å²	43.4	8%	0.083	22%	0.223	C	C	.	.	H	α-helix	trans	-64.3	-47.6	173.7	0	0	0	0	0	111.8	L375 L379 R409 M410 L411 L415 N416 I417	L375-A413 HydrophobicContact CD1-CB 4.48Å; L375-A413 HydrophobicContact CD2-CB 4.44Å; L379-A413 HydrophobicContact CD1-CB 3.84Å; L379-A413 HydrophobicContact CD2-CB 4.27Å; R409-A413 WeakPolarHBondContact O-CB 3.3Å; R409-A413 PolarHBondContact O-N 2.85Å; M410-A413 WeakPolarHBondContact O-CB 3.36Å; M410-A413 PolarHBondContact O-N 3.39Å; L411-A413 VanDerWaalsContact C-N 3.31Å; L411-A413 PolarHBondContact O-N 2.97Å; A413-L415 VanDerWaalsContact C-N 3.35Å; A413-L415 PolarHBondContact O-N 2.83Å; A413-N416 PolarHBondContact O-N 2.99Å; A413-I417 WeakPolarHBondContact O-CG1 3.35Å; A413-I417 PolarHBondContact O-N 3.47Å
414	L	96.2	Very high	92.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.3	-40.6	175.6	-62.7	-164	0	0	0	112	F396 L397 C400 M410 L411 N416 I417 A418 V431 I434 M435 L438	F396-L414 HydrophobicContact CE1-CD2 3.82Å; F396-L414 HydrophobicContact CZ-CD2 4.29Å; L397-L414 HydrophobicContact CD2-CD1 4.44Å; L397-L414 HydrophobicContact CD2-CD2 3.66Å; C400-L414 HydrophobicContact CB-CD1 4.46Å; M410-L414 PolarHBondContact O-N 3.38Å; M410-L414 VanDerWaalsContact O-N 3.11Å; L411-L414 PolarHBondContact O-N 3.31Å; L414-N416 VanDerWaalsContact C-N 3.29Å; L414-N416 PolarHBondContact O-N 3.48Å; L414-I417 HydrophobicContact CD2-CD1 4.16Å; L414-I417 WeakPolarHBondContact O-CB 3.47Å; L414-I417 PolarHBondContact O-N 3.14Å; L414-I417 VanDerWaalsContact O-N 3.14Å; L414-A418 WeakPolarHBondContact O-CB 3.27Å; L414-A418 PolarHBondContact O-N 3.38Å; L414-V431 HydrophobicContact CB-CG1 4.32Å; L414-I434 HydrophobicContact CD1-CB 4.48Å; L414-I434 HydrophobicContact CD1-CG2 3.75Å; L414-M435 HydrophobicContact CB-CG 3.62Å; L414-M435 HydrophobicContact CB-SD 3.95Å; L414-M435 HydrophobicContact CD1-CG 4.07Å; L414-L438 HydrophobicContact CD1-CD1 3.63Å; L414-L438 HydrophobicContact CG-CD1 4.29Å
415	L	96.1	Very high	92.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.9	-34.1	175.2	-179.8	58.6	0	0	0	112.8	L411 A413 K419 M435 T452 Q455 V456 M459	L411-L415 WeakPolarHBondContact O-CB 3.18Å; L411-L415 PolarHBondContact O-N 3.23Å; A413-L415 VanDerWaalsContact C-N 3.35Å; A413-L415 PolarHBondContact O-N 2.83Å; L415-K419 HydrophobicContact CD1-CD 4.31Å; L415-K419 HydrophobicContact CG-CD 4.33Å; L415-K419 WeakPolarHBondContact O-CB 3.36Å; L415-K419 WeakPolarHBondContact O-CD 3.48Å; L415-K419 VanDerWaalsContact O-CG 3.29Å; L415-K419 WeakPolarHBondContact O-CG 3.32Å; L415-K419 PolarHBondContact O-N 3.39Å; L415-K419 VanDerWaalsContact O-N 3.14Å; L415-M435 HydrophobicContact CB-CE 4.24Å; L415-M435 HydrophobicContact CD1-CE 3.86Å; L415-T452 HydrophobicContact CD2-CG2 4.22Å; L415-Q455 HydrophobicContact CD2-CG 4.14Å; L415-V456 HydrophobicContact CB-CG2 4.33Å; L415-V456 HydrophobicContact CD1-CG2 4.14Å; L415-V456 HydrophobicContact CD2-CG2 3.84Å; L415-V456 HydrophobicContact CG-CG2 4.33Å; L415-M459 HydrophobicContact CD1-CE 3.74Å; L415-M459 HydrophobicContact CD1-SD 4.01Å
416	N	95.4	Very high	92.4	Very high	93 Å²	93	52.5 Å²	52.5	50%	0.497	28%	0.275	S	S	.	.	H	α-helix	trans	-71.4	-36.5	173.6	-70.5	-8.5	0	0	0	111.7	Q412 A413 L414 G420	Q412-N416 PolarHBondContact NE2-OD1 3.33Å; Q412-N416 WeakPolarHBondContact O-CB 3.42Å; Q412-N416 PolarHBondContact O-N 2.95Å; Q412-N416 PolarHBondContact O-ND2 3.25Å; Q412-N416 PolarHBondContact O-OD1 3.31Å; A413-N416 PolarHBondContact O-N 2.99Å; L414-N416 VanDerWaalsContact C-N 3.29Å; L414-N416 PolarHBondContact O-N 3.48Å; N416-G420 PolarHBondContact O-N 2.99Å; N416-G420 VanDerWaalsContact O-N 3.13Å
417	I	94.6	Very high	92.5	Very high	20 Å²	20	52.5 Å²	52.5	10%	0.103	28%	0.275	C	S	.	.	H	α-helix	trans	-65.6	-45.4	173.1	-67	159.6	0	0	0	110.4	L379 F384 F396 A413 L414 K419 G420 I422 V431	L379-I417 HydrophobicContact CD2-CD1 3.87Å; F384-I417 HydrophobicContact CB-CG2 4.46Å; F384-I417 HydrophobicContact CD1-CG2 3.75Å; F384-I417 HydrophobicContact CD2-CD1 4.27Å; F384-I417 HydrophobicContact CD2-CG1 4.26Å; F384-I417 HydrophobicContact CD2-CG2 4.16Å; F384-I417 HydrophobicContact CE1-CG2 3.98Å; F384-I417 HydrophobicContact CE2-CD1 3.65Å; F384-I417 HydrophobicContact CE2-CG1 4.15Å; F384-I417 HydrophobicContact CE2-CG2 4.37Å; F384-I417 HydrophobicContact CG-CG2 3.85Å; F384-I417 HydrophobicContact CZ-CD1 3.79Å; F384-I417 HydrophobicContact CZ-CG2 4.29Å; F396-I417 HydrophobicContact CE1-CD1 4.21Å; A413-I417 WeakPolarHBondContact O-CG1 3.35Å; A413-I417 PolarHBondContact O-N 3.47Å; L414-I417 HydrophobicContact CD2-CD1 4.16Å; L414-I417 WeakPolarHBondContact O-CB 3.47Å; L414-I417 PolarHBondContact O-N 3.14Å; L414-I417 VanDerWaalsContact O-N 3.14Å; I417-K419 VanDerWaalsContact C-N 3.3Å; I417-K419 PolarHBondContact O-N 2.95Å; I417-G420 WeakPolarHBondContact O-CA 3.36Å; I417-G420 PolarHBondContact O-N 3.36Å; I417-I422 HydrophobicContact CG2-CD1 4.05Å; I417-I422 HydrophobicContact CG2-CG1 4.27Å; I417-V431 HydrophobicContact CG2-CG2 4.01Å
418	A	93.4	Very high	92.6	Very high	27 Å²	27	53.1 Å²	53.1	22%	0.223	28%	0.275	C	S	.	.	H	α-helix	trans	-61.8	-33.8	178.5	0	0	0	0	0	113.6	L414 G420 V431 M435	L414-A418 WeakPolarHBondContact O-CB 3.27Å; L414-A418 PolarHBondContact O-N 3.38Å; A418-G420 VanDerWaalsContact C-N 3.33Å; A418-V431 HydrophobicContact CB-CG1 3.86Å; A418-M435 HydrophobicContact CB-SD 3.97Å
419	K	92.5	Very high	92.5	Very high	109 Å²	109	51.2 Å²	51.2	47%	0.474	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-11.4	172.6	-69.9	168.4	-179.4	166.9	0	113.4	L415 I417	L415-K419 HydrophobicContact CD1-CD 4.31Å; L415-K419 HydrophobicContact CG-CD 4.33Å; L415-K419 WeakPolarHBondContact O-CB 3.36Å; L415-K419 WeakPolarHBondContact O-CD 3.48Å; L415-K419 VanDerWaalsContact O-CG 3.29Å; L415-K419 WeakPolarHBondContact O-CG 3.32Å; L415-K419 PolarHBondContact O-N 3.39Å; L415-K419 VanDerWaalsContact O-N 3.14Å; I417-K419 VanDerWaalsContact C-N 3.3Å; I417-K419 PolarHBondContact O-N 2.95Å
420	G	91.1	Very high	92.4	Very high	42 Å²	42	45.5 Å²	45.5	43%	0.433	24%	0.244	S	C	.	.	S	Bend	trans	-86.6	-176.2	-179.8	0	0	0	0	0	113.1	N416 I417 A418 I422	N416-G420 PolarHBondContact O-N 2.99Å; N416-G420 VanDerWaalsContact O-N 3.13Å; I417-G420 WeakPolarHBondContact O-CA 3.36Å; I417-G420 PolarHBondContact O-N 3.36Å; A418-G420 VanDerWaalsContact C-N 3.33Å; G420-I422 PolarHBondContact O-N 3Å
421	K	90.3	Very high	92.5	Very high	172 Å²	172	45.1 Å²	45.1	75%	0.748	24%	0.243	S	C	*	.			trans	-84.6	108	172.1	-174.8	177.3	-178.3	179.2	0	109.9	T385	T385-K421 HydrophobicContact CG2-CB 4.3Å; T385-K421 WeakPolarHBondContact CG2-O 3.35Å
422	I	90.9	Very high	92.4	Very high	31 Å²	31	45.4 Å²	45.4	16%	0.159	24%	0.244	C	C	.	.			trans	-96.4	136.7	169.2	-52.6	176.2	0	0	0	108.2	I417 G420 S424 I427 K428 V431	I417-I422 HydrophobicContact CG2-CD1 4.05Å; I417-I422 HydrophobicContact CG2-CG1 4.27Å; G420-I422 PolarHBondContact O-N 3Å; I422-S424 WeakPolarHBondContact CG2-O 3.46Å; I422-I427 HydrophobicContact CG2-CB 4.03Å; I422-I427 HydrophobicContact CG2-CG2 3.92Å; I422-K428 HydrophobicContact CD1-CB 4.05Å; I422-K428 HydrophobicContact CD1-CG 4.38Å; I422-K428 HydrophobicContact CG2-CB 4.47Å; I422-V431 HydrophobicContact CD1-CG2 4.08Å
423	S	88.6	Confident	92.3	Very high	48 Å²	48	42.9 Å²	42.9	34%	0.336	23%	0.232	S	C	.	.	S	Bend	trans	-82.9	-25.4	-178	53.8	0	0	0	0	114.5	F384 T385 D386 A387	F384-S423 PolarHBondContact O-N 3.13Å; F384-S423 PolarHBondContact O-OG 2.95Å; T385-S423 WeakPolarHBondContact O-CB 3.42Å; D386-S423 VanDerWaalsContact C-OG 3.31Å; A387-S423 PolarHBondContact N-OG 3.18Å
424	S	87.9	Confident	92.3	Very high	26 Å²	26	42.4 Å²	42.4	18%	0.182	23%	0.229	C	C	.	.			trans	-118	128.5	-176.9	172.9	0	0	0	0	111	I422 E426 I427 K428	I422-S424 WeakPolarHBondContact CG2-O 3.46Å; S424-E426 WeakPolarHBondContact OG-CB 3.32Å; S424-I427 PolarHBondContact O-N 3.36Å; S424-K428 PolarHBondContact O-N 3.35Å
425	T	87.4	Confident	92.4	Very high	102 Å²	102	42.4 Å²	42.4	63%	0.626	23%	0.229	S	C	*	.	H	α-helix	trans	-61	-45.7	174.3	45.7	0	0	0	0	111	I427 K428 E429	T425-I427 PolarHBondContact O-N 3.25Å; T425-I427 VanDerWaalsContact O-N 3.09Å; T425-K428 WeakPolarHBondContact O-CA 3.4Å; T425-K428 WeakPolarHBondContact O-CB 3.47Å; T425-K428 PolarHBondContact O-N 2.9Å; T425-E429 WeakPolarHBondContact O-CG 3.44Å; T425-E429 PolarHBondContact O-N 3.29Å
426	E	86.6	Confident	92.3	Very high	99 Å²	99	42.4 Å²	42.4	46%	0.463	23%	0.229	S	C	.	.	H	α-helix	trans	-49.6	-32.3	172.1	-97.4	-168.6	-114.6	0	0	114.2	S424 S430 R737	S424-E426 WeakPolarHBondContact OG-CB 3.32Å; E426-S430 PolarHBondContact O-N 2.93Å; E426-S430 PolarHBondContact O-OG 3.26Å; E426-R737 VanDerWaalsContact CG-NH1 3.31Å; E426-R737 WeakPolarHBondContact O-CD 3.42Å; E426-R737 PolarHBondContact O-NH1 3Å; E426-R737 IonicContact OE2-CZ 2.66Å; E426-R737 IonicContact OE2-NH1 3.4Å; E426-R737 PolarHBondContact OE2-NH1 2.82Å; E426-R737 IonicContact OE2-NH2 3.64Å; E426-R737 PolarHBondContact OE2-NH2 3.46Å
427	I	91.4	Very high	92.2	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.015	21%	0.207	C	C	.	.	H	α-helix	trans	-87.2	-38.1	177.2	-62.5	-65.9	0	0	0	110.9	F384 Q393 E394 L397 I422 S424 T425 E429 S430 V431	F384-I427 HydrophobicContact CD1-CG2 3.97Å; F384-I427 HydrophobicContact CE1-CG2 4.19Å; Q393-I427 HydrophobicContact CB-CD1 4.12Å; Q393-I427 HydrophobicContact CB-CG2 4.2Å; E394-I427 HydrophobicContact CB-CD1 4.03Å; L397-I427 HydrophobicContact CD1-CG2 4.03Å; I422-I427 HydrophobicContact CG2-CB 4.03Å; I422-I427 HydrophobicContact CG2-CG2 3.92Å; S424-I427 PolarHBondContact O-N 3.36Å; T425-I427 PolarHBondContact O-N 3.25Å; T425-I427 VanDerWaalsContact O-N 3.09Å; I427-E429 PolarHBondContact O-N 3.19Å; I427-S430 PolarHBondContact O-N 2.89Å; I427-V431 WeakPolarHBondContact O-CG2 3.39Å; I427-V431 PolarHBondContact O-N 3.15Å
428	K	92.2	Very high	92.3	Very high	72 Å²	72	37.3 Å²	37.3	31%	0.313	20%	0.202	S	C	.	.	H	α-helix	trans	-54.3	-44.3	171.4	179.5	-169	176	-176.4	0	110.8	I422 S424 T425 V431 V432 E472	I422-K428 HydrophobicContact CD1-CB 4.05Å; I422-K428 HydrophobicContact CD1-CG 4.38Å; I422-K428 HydrophobicContact CG2-CB 4.47Å; S424-K428 PolarHBondContact O-N 3.35Å; T425-K428 WeakPolarHBondContact O-CA 3.4Å; T425-K428 WeakPolarHBondContact O-CB 3.47Å; T425-K428 PolarHBondContact O-N 2.9Å; K428-V431 PolarHBondContact O-N 2.65Å; K428-V432 PolarHBondContact O-N 3.35Å; K428-E472 IonicContact NZ-OE1 2.68Å; K428-E472 PolarHBondContact NZ-OE1 2.78Å
429	E	90.9	Very high	92.4	Very high	38 Å²	38	36 Å²	36	18%	0.178	19%	0.191	C	C	.	.	H	α-helix	trans	-59.6	-53	176.3	-69.3	165.4	-163	0	0	111.5	T425 I427 V431 V432 I433 M475 R737	T425-E429 WeakPolarHBondContact O-CG 3.44Å; T425-E429 PolarHBondContact O-N 3.29Å; I427-E429 PolarHBondContact O-N 3.19Å; E429-V431 VanDerWaalsContact C-N 3.29Å; E429-V431 PolarHBondContact O-N 3.33Å; E429-V432 PolarHBondContact O-N 3.29Å; E429-V432 VanDerWaalsContact O-N 3.17Å; E429-I433 VanDerWaalsContact O-CG1 3.29Å; E429-I433 WeakPolarHBondContact O-CG1 3.47Å; E429-I433 PolarHBondContact O-N 3.28Å; E429-M475 HydrophobicContact CB-CG 4.31Å; E429-M475 HydrophobicContact CG-CB 4.18Å; E429-M475 HydrophobicContact CG-CG 4.24Å; E429-M475 HydrophobicContact CG-SD 4.2Å; E429-R737 HydrophobicContact CB-CG 4.34Å
430	S	92	Very high	92.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.8	-34.2	177.6	-65.8	0	0	0	0	113.3	E426 I427 I434	E426-S430 PolarHBondContact O-N 2.93Å; E426-S430 PolarHBondContact O-OG 3.26Å; I427-S430 PolarHBondContact O-N 2.89Å; S430-I434 WeakPolarHBondContact O-CB 3.46Å; S430-I434 VanDerWaalsContact O-CG1 3.24Å; S430-I434 WeakPolarHBondContact O-CG1 3.32Å; S430-I434 PolarHBondContact O-N 3.39Å; S430-I434 VanDerWaalsContact O-N 3.07Å
431	V	96.1	Very high	92.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.9	-49.2	174.6	176.6	0	0	0	0	110.9	L397 L414 I417 A418 I422 I427 K428 E429 I434 M435	L397-V431 HydrophobicContact CD1-CG2 3.64Å; L397-V431 HydrophobicContact CD2-CB 4.46Å; L397-V431 HydrophobicContact CD2-CG2 3.79Å; L397-V431 HydrophobicContact CG-CG2 4.38Å; L414-V431 HydrophobicContact CB-CG1 4.32Å; I417-V431 HydrophobicContact CG2-CG2 4.01Å; A418-V431 HydrophobicContact CB-CG1 3.86Å; I422-V431 HydrophobicContact CD1-CG2 4.08Å; I427-V431 WeakPolarHBondContact O-CG2 3.39Å; I427-V431 PolarHBondContact O-N 3.15Å; K428-V431 PolarHBondContact O-N 2.65Å; E429-V431 VanDerWaalsContact C-N 3.29Å; E429-V431 PolarHBondContact O-N 3.33Å; V431-I434 PolarHBondContact O-N 2.81Å; V431-M435 HydrophobicContact CG1-CG 4.48Å; V431-M435 HydrophobicContact CG1-SD 3.74Å; V431-M435 WeakPolarHBondContact O-CB 3.42Å; V431-M435 VanDerWaalsContact O-CG 3.26Å; V431-M435 WeakPolarHBondContact O-CG 3.34Å; V431-M435 PolarHBondContact O-N 3.21Å
432	V	96.1	Very high	92.5	Very high	6 Å²	6	23.9 Å²	23.9	4%	0.036	13%	0.127	C	C	.	.	H	α-helix	trans	-70.7	-40.1	-176.3	179.3	0	0	0	0	111.5	K428 E429 I434 M435 G436 M475 Y476 A479	K428-V432 PolarHBondContact O-N 3.35Å; E429-V432 PolarHBondContact O-N 3.29Å; E429-V432 VanDerWaalsContact O-N 3.17Å; V432-I434 VanDerWaalsContact C-N 3.34Å; V432-I434 PolarHBondContact O-N 3.02Å; V432-M435 PolarHBondContact O-N 3.01Å; V432-G436 PolarHBondContact O-N 2.79Å; V432-G436 VanDerWaalsContact O-N 3.16Å; V432-M475 HydrophobicContact CB-CE 4.45Å; V432-M475 HydrophobicContact CB-CG 3.81Å; V432-M475 HydrophobicContact CB-SD 3.82Å; V432-M475 HydrophobicContact CG1-CE 4.34Å; V432-M475 HydrophobicContact CG1-CG 4.01Å; V432-M475 HydrophobicContact CG1-SD 4.27Å; V432-M475 HydrophobicContact CG2-CE 4.21Å; V432-M475 HydrophobicContact CG2-CG 4.42Å; V432-M475 HydrophobicContact CG2-SD 3.74Å; V432-Y476 HydrophobicContact CG1-CD1 3.89Å; V432-Y476 HydrophobicContact CG1-CE1 3.99Å; V432-A479 HydrophobicContact CG1-CB 3.92Å; V432-A479 WeakPolarHBondContact O-CB 3.22Å
433	I	93	Very high	92.6	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-60.9	-42.3	176.3	-67.9	169.2	0	0	0	111.2	E429 G436 L478 N482 Q735 R737	E429-I433 VanDerWaalsContact O-CG1 3.29Å; E429-I433 WeakPolarHBondContact O-CG1 3.47Å; E429-I433 PolarHBondContact O-N 3.28Å; I433-G436 PolarHBondContact O-N 2.86Å; I433-L478 HydrophobicContact CD1-CB 3.95Å; I433-L478 HydrophobicContact CD1-CD1 3.87Å; I433-L478 HydrophobicContact CG1-CB 3.83Å; I433-N482 WeakPolarHBondContact CG2-ND2 3.23Å; I433-N482 PolarHBondContact O-ND2 3.43Å; I433-Q735 VanDerWaalsContact CG2-O 3.28Å; I433-Q735 WeakPolarHBondContact CG2-O 3.46Å; I433-R737 HydrophobicContact CD1-CB 4.06Å; I433-R737 HydrophobicContact CD1-CG 4.05Å
434	I	96.1	Very high	92.5	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-74.5	-34	177.6	-67	-52.4	0	0	0	112.4	L397 Y398 C400 L414 S430 V431 V432 G436 A437 L438 V734	L397-I434 HydrophobicContact CB-CG1 4.42Å; L397-I434 WeakPolarHBondContact O-CG2 3.35Å; Y398-I434 HydrophobicContact CD1-CD1 4.22Å; Y398-I434 HydrophobicContact CD1-CG1 4.46Å; C400-I434 HydrophobicContact CB-CG2 4.25Å; L414-I434 HydrophobicContact CD1-CB 4.48Å; L414-I434 HydrophobicContact CD1-CG2 3.75Å; S430-I434 WeakPolarHBondContact O-CB 3.46Å; S430-I434 VanDerWaalsContact O-CG1 3.24Å; S430-I434 WeakPolarHBondContact O-CG1 3.32Å; S430-I434 PolarHBondContact O-N 3.39Å; S430-I434 VanDerWaalsContact O-N 3.07Å; V431-I434 PolarHBondContact O-N 2.81Å; V432-I434 VanDerWaalsContact C-N 3.34Å; V432-I434 PolarHBondContact O-N 3.02Å; I434-G436 PolarHBondContact O-N 2.68Å; I434-A437 PolarHBondContact O-N 3.27Å; I434-L438 HydrophobicContact CG2-CG 4.49Å; I434-L438 PolarHBondContact O-N 3.13Å; I434-V734 HydrophobicContact CD1-CG1 3.78Å
435	M	97.1	Very high	92.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-57.7	-36.1	171.1	-79.3	169	50.7	0	0	112	L411 L414 L415 A418 V431 V432 L438 V439 V456 M459 I460	L411-M435 HydrophobicContact CD1-CB 4.28Å; L411-M435 HydrophobicContact CD1-CG 4.12Å; L414-M435 HydrophobicContact CB-CG 3.62Å; L414-M435 HydrophobicContact CB-SD 3.95Å; L414-M435 HydrophobicContact CD1-CG 4.07Å; L415-M435 HydrophobicContact CB-CE 4.24Å; L415-M435 HydrophobicContact CD1-CE 3.86Å; A418-M435 HydrophobicContact CB-SD 3.97Å; V431-M435 HydrophobicContact CG1-CG 4.48Å; V431-M435 HydrophobicContact CG1-SD 3.74Å; V431-M435 WeakPolarHBondContact O-CB 3.42Å; V431-M435 VanDerWaalsContact O-CG 3.26Å; V431-M435 WeakPolarHBondContact O-CG 3.34Å; V431-M435 PolarHBondContact O-N 3.21Å; V432-M435 PolarHBondContact O-N 3.01Å; M435-L438 PolarHBondContact O-N 2.89Å; M435-V439 WeakPolarHBondContact O-CG2 3.42Å; M435-V439 PolarHBondContact O-N 2.92Å; M435-V456 HydrophobicContact CB-CG1 4.11Å; M435-V456 HydrophobicContact CE-CB 4.37Å; M435-V456 HydrophobicContact CE-CG1 3.68Å; M435-V456 HydrophobicContact CE-CG2 3.78Å; M435-M459 HydrophobicContact CE-SD 4Å; M435-I460 HydrophobicContact CB-CD1 4.43Å
436	G	95.6	Very high	92.3	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.2	-46.7	170.3	0	0	0	0	0	113	V432 I433 I434 L438 V439 H440 S483	V432-G436 PolarHBondContact O-N 2.79Å; V432-G436 VanDerWaalsContact O-N 3.16Å; I433-G436 PolarHBondContact O-N 2.86Å; I434-G436 PolarHBondContact O-N 2.68Å; G436-L438 PolarHBondContact O-N 2.72Å; G436-V439 PolarHBondContact O-N 2.7Å; G436-H440 PolarHBondContact O-N 3.18Å; G436-S483 WeakPolarHBondContact O-CA 3.22Å
437	A	92.9	Very high	92.4	Very high	5 Å²	5	24.1 Å²	24.1	4%	0.041	14%	0.14	C	C	.	.	H	α-helix	trans	-67.6	-35.3	-179.5	0	0	0	0	0	112.6	I434 H440 K441 N482 V734	I434-A437 PolarHBondContact O-N 3.27Å; A437-H440 PolarHBondContact O-N 2.99Å; A437-K441 WeakPolarHBondContact O-CG 3.39Å; A437-K441 PolarHBondContact O-N 2.9Å; A437-N482 HydrophobicContact CB-CB 4.15Å; A437-V734 HydrophobicContact CB-CG1 4.07Å; A437-V734 HydrophobicContact CB-CG2 4.39Å
438	L	95.3	Very high	92.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.3	-40.8	172.8	-68.4	-170.5	0	0	0	112.3	C400 P406 M410 L411 L414 I434 M435 G436 H440 K441 L442	C400-L438 WeakPolarHBondContact O-CD2 3.48Å; P406-L438 HydrophobicContact CB-CD2 3.7Å; P406-L438 HydrophobicContact CG-CD2 4.36Å; M410-L438 HydrophobicContact CG-CD1 4.05Å; M410-L438 HydrophobicContact SD-CD1 4.26Å; M410-L438 HydrophobicContact SD-CD2 4.11Å; L411-L438 HydrophobicContact CB-CD1 4.41Å; L411-L438 HydrophobicContact CD1-CB 3.9Å; L411-L438 HydrophobicContact CD1-CD1 4.14Å; L414-L438 HydrophobicContact CD1-CD1 3.63Å; L414-L438 HydrophobicContact CG-CD1 4.29Å; I434-L438 HydrophobicContact CG2-CG 4.49Å; I434-L438 PolarHBondContact O-N 3.13Å; M435-L438 PolarHBondContact O-N 2.89Å; G436-L438 PolarHBondContact O-N 2.72Å; L438-H440 VanDerWaalsContact C-N 3.34Å; L438-K441 PolarHBondContact O-N 3.11Å; L438-L442 WeakPolarHBondContact O-CB 3.44Å; L438-L442 VanDerWaalsContact O-CG 3.31Å; L438-L442 WeakPolarHBondContact O-CG 3.44Å; L438-L442 PolarHBondContact O-N 2.6Å
439	V	96.3	Very high	92.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.4	-43.7	174.3	165.3	0	0	0	0	111	L411 M435 G436 L442 C443 V453 V456 K457 L485	L411-V439 HydrophobicContact CD1-CG2 4.41Å; L411-V439 HydrophobicContact CD2-CG2 4.06Å; M435-V439 WeakPolarHBondContact O-CG2 3.42Å; M435-V439 PolarHBondContact O-N 2.92Å; G436-V439 PolarHBondContact O-N 2.7Å; V439-L442 PolarHBondContact O-N 2.98Å; V439-C443 WeakPolarHBondContact O-CB 3.46Å; V439-C443 PolarHBondContact O-N 3.04Å; V439-C443 PolarHBondContact O-SG 3.02Å; V439-V453 HydrophobicContact CG1-CG1 4.22Å; V439-V453 HydrophobicContact CG2-CG1 4.39Å; V439-V456 HydrophobicContact CG2-CB 3.92Å; V439-V456 HydrophobicContact CG2-CG1 3.57Å; V439-K457 HydrophobicContact CG1-CG 3.96Å; V439-L485 HydrophobicContact CG1-CD1 4.39Å; V439-L485 HydrophobicContact CG1-CD2 4.16Å
440	H	92.8	Very high	92.5	Very high	48 Å²	48	28.8 Å²	28.8	22%	0.222	17%	0.171	C	C	.	.	H	α-helix	trans	-57.1	-53	176.9	-172	64.8	0	0	0	112	G436 A437 L438 L442 C443 L444 N482 S483	G436-H440 PolarHBondContact O-N 3.18Å; A437-H440 PolarHBondContact O-N 2.99Å; L438-H440 VanDerWaalsContact C-N 3.34Å; H440-L442 PolarHBondContact O-N 3.31Å; H440-C443 WeakPolarHBondContact O-CB 3.41Å; H440-C443 PolarHBondContact O-N 2.62Å; H440-C443 VanDerWaalsContact O-N 3.15Å; H440-L444 WeakPolarHBondContact O-CG 3.35Å; H440-L444 PolarHBondContact O-N 3.02Å; H440-N482 WeakPolarHBondContact CB-O 3.34Å; H440-S483 WeakPolarHBondContact CB-O 3.36Å; H440-S483 PolarHBondContact ND1-O 3.45Å
441	K	91.4	Very high	92.6	Very high	16 Å²	16	33.7 Å²	33.7	7%	0.07	20%	0.203	C	C	.	.	H	α-helix	trans	-60.9	-46	-179.1	-69	177.2	175.1	-172.4	0	112.5	H207 G401 A403 P406 A437 L438 C443 L444 E445	H207-K441 VanDerWaalsContact CE1-CD 3.48Å; H207-K441 WeakPolarHBondContact CE1-CD 3.48Å; H207-K441 WeakPolarHBondContact CE1-CE 3.26Å; H207-K441 WeakPolarHBondContact NE2-CE 3.32Å; G401-K441 PolarHBondContact O-NZ 3.29Å; A403-K441 PolarHBondContact O-NZ 2.83Å; P406-K441 HydrophobicContact CG-CB 3.63Å; P406-K441 HydrophobicContact CG-CD 4.02Å; P406-K441 HydrophobicContact CG-CG 4.46Å; A437-K441 WeakPolarHBondContact O-CG 3.39Å; A437-K441 PolarHBondContact O-N 2.9Å; L438-K441 PolarHBondContact O-N 3.11Å; K441-C443 VanDerWaalsContact C-N 3.28Å; K441-C443 PolarHBondContact O-N 3.48Å; K441-L444 PolarHBondContact O-N 3.33Å; K441-E445 PolarHBondContact O-N 3.37Å
442	L	92.9	Very high	92.5	Very high	4 Å²	4	34 Å²	34	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-64.3	-32.3	176.8	-69.9	168.7	0	0	0	112.3	P406 L411 L438 V439 H440 S447 V453	P406-L442 WeakPolarHBondContact O-CD2 3.38Å; L411-L442 HydrophobicContact CB-CD1 4.18Å; L411-L442 HydrophobicContact CD2-CD1 3.91Å; L438-L442 WeakPolarHBondContact O-CB 3.44Å; L438-L442 VanDerWaalsContact O-CG 3.31Å; L438-L442 WeakPolarHBondContact O-CG 3.44Å; L438-L442 PolarHBondContact O-N 2.6Å; V439-L442 PolarHBondContact O-N 2.98Å; H440-L442 PolarHBondContact O-N 3.31Å; L442-S447 CarbonylContact O-C 3.57Å; L442-S447 VanDerWaalsContact O-CA 3.3Å; L442-S447 WeakPolarHBondContact O-CA 3.44Å; L442-S447 VanDerWaalsContact O-CB 3.29Å; L442-S447 WeakPolarHBondContact O-CB 3.41Å; L442-S447 PolarHBondContact O-N 3.26Å; L442-V453 HydrophobicContact CB-CG2 4.14Å; L442-V453 HydrophobicContact CD1-CG2 3.83Å
443	C	92	Very high	92.5	Very high	27 Å²	27	33.8 Å²	33.8	18%	0.182	20%	0.203	C	C	.	.	H	α-helix	trans	-70.3	-40	172.8	-79.3	0	0	0	0	113	V439 H440 K441 E445 G446 C448	V439-C443 WeakPolarHBondContact O-CB 3.46Å; V439-C443 PolarHBondContact O-N 3.04Å; V439-C443 PolarHBondContact O-SG 3.02Å; H440-C443 WeakPolarHBondContact O-CB 3.41Å; H440-C443 PolarHBondContact O-N 2.62Å; H440-C443 VanDerWaalsContact O-N 3.15Å; K441-C443 VanDerWaalsContact C-N 3.28Å; K441-C443 PolarHBondContact O-N 3.48Å; C443-E445 VanDerWaalsContact C-N 3.27Å; C443-E445 PolarHBondContact O-N 3.32Å; C443-G446 PolarHBondContact O-N 2.89Å; C443-C448 HydrophobicContact CB-CB 3.74Å; C443-C448 WeakPolarHBondContact CB-SG 3.29Å; C443-C448 WeakPolarHBondContact SG-CA 3.12Å; C443-C448 WeakPolarHBondContact SG-CB 3.47Å; C443-C448 CovalentContact SG-SG 2.04Å; C443-C448 PolarHBondContact SG-SG 2.95Å
444	L	87.1	Confident	92.6	Very high	104 Å²	104	37 Å²	37	55%	0.545	22%	0.223	S	C	.	.	H	α-helix	trans	-61.9	-34.4	172.9	-68	178.3	0	0	0	112.5	H440 K441 G446	H440-L444 WeakPolarHBondContact O-CG 3.35Å; H440-L444 PolarHBondContact O-N 3.02Å; K441-L444 PolarHBondContact O-N 3.33Å; L444-G446 PolarHBondContact O-N 2.91Å
445	E	84.6	Confident	92.6	Very high	78 Å²	78	41.5 Å²	41.5	36%	0.364	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	8.8	174.1	-68.1	177.3	-162.4	0	0	113.6	H207 K441 C443 S447	H207-E445 HydrophobicContact CB-CG 4.49Å; K441-E445 PolarHBondContact O-N 3.37Å; C443-E445 VanDerWaalsContact C-N 3.27Å; C443-E445 PolarHBondContact O-N 3.32Å; E445-S447 PolarHBondContact O-N 2.91Å
446	G	85.7	Confident	92.6	Very high	64 Å²	64	41.5 Å²	41.5	66%	0.66	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.5	8.9	179.9	0	0	0	0	0	114.6	C443 L444 C448	C443-G446 PolarHBondContact O-N 2.89Å; L444-G446 PolarHBondContact O-N 2.91Å; G446-C448 VanDerWaalsContact C-N 3.29Å; G446-C448 PolarHBondContact O-N 2.85Å
447	S	88.8	Confident	92.6	Very high	39 Å²	39	42.6 Å²	42.6	27%	0.273	25%	0.249	S	C	.	.			trans	-95	27.9	-179	-65.4	0	0	0	0	112.6	L442 E445 D449 I450	L442-S447 CarbonylContact O-C 3.57Å; L442-S447 VanDerWaalsContact O-CA 3.3Å; L442-S447 WeakPolarHBondContact O-CA 3.44Å; L442-S447 VanDerWaalsContact O-CB 3.29Å; L442-S447 WeakPolarHBondContact O-CB 3.41Å; L442-S447 PolarHBondContact O-N 3.26Å; E445-S447 PolarHBondContact O-N 2.91Å; S447-D449 VanDerWaalsContact C-N 3.27Å; S447-D449 PolarHBondContact O-N 2.95Å; S447-I450 WeakPolarHBondContact O-CG1 3.49Å; S447-I450 PolarHBondContact O-N 2.82Å
448	C	90.7	Very high	92.7	Very high	30 Å²	30	48.2 Å²	48.2	20%	0.203	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-14.8	-168.2	-152.3	0	0	0	0	114.7	C443 G446 K457	C443-C448 HydrophobicContact CB-CB 3.74Å; C443-C448 WeakPolarHBondContact CB-SG 3.29Å; C443-C448 WeakPolarHBondContact SG-CA 3.12Å; C443-C448 WeakPolarHBondContact SG-CB 3.47Å; C443-C448 CovalentContact SG-SG 2.04Å; C443-C448 PolarHBondContact SG-SG 2.95Å; G446-C448 VanDerWaalsContact C-N 3.29Å; G446-C448 PolarHBondContact O-N 2.85Å; C448-K457 WeakPolarHBondContact O-CE 3.49Å; C448-K457 PolarHBondContact O-NZ 2.88Å; C448-K457 WeakPolarHBondContact SG-CE 3.36Å; C448-K457 PolarHBondContact SG-NZ 2.95Å
449	D	92.3	Very high	92.7	Very high	135 Å²	135	50.8 Å²	50.8	72%	0.722	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	3.9	-176	-54.7	-44.5	0	0	0	113.3	S447	S447-D449 VanDerWaalsContact C-N 3.27Å; S447-D449 PolarHBondContact O-N 2.95Å
450	I	93.8	Very high	92.7	Very high	45 Å²	45	50.8 Å²	50.8	23%	0.231	29%	0.285	C	S	.	.			trans	-60.4	138.3	177.4	-74.1	-170.3	0	0	0	110.1	E408 S447 T452 V453 V454	E408-I450 HydrophobicContact CB-CG2 4.17Å; E408-I450 HydrophobicContact CG-CG2 3.76Å; E408-I450 WeakPolarHBondContact OE1-CG2 3.48Å; S447-I450 WeakPolarHBondContact O-CG1 3.49Å; S447-I450 PolarHBondContact O-N 2.82Å; I450-T452 VanDerWaalsContact C-N 3.3Å; I450-T452 PolarHBondContact O-N 3.34Å; I450-T452 VanDerWaalsContact O-N 3.15Å; I450-V453 HydrophobicContact CB-CB 4.3Å; I450-V453 HydrophobicContact CB-CG2 3.98Å; I450-V453 HydrophobicContact CG2-CG2 4.23Å; I450-V453 WeakPolarHBondContact O-CA 3.46Å; I450-V453 WeakPolarHBondContact O-CB 3.49Å; I450-V453 PolarHBondContact O-N 2.85Å; I450-V454 PolarHBondContact O-N 2.84Å
451	P	94.3	Very high	92.9	Very high	104 Å²	104	50 Å²	50	68%	0.675	28%	0.282	S	S	*	.	H	α-helix	trans	-54.4	-40.5	-172.5	-28.9	36.2	0	0	0	114.6	V454 Q455	P451-V454 PolarHBondContact O-N 3.31Å; P451-Q455 PolarHBondContact O-N 3.27Å
452	T	94.3	Very high	93.1	Very high	7 Å²	7	54.5 Å²	54.5	4%	0.043	30%	0.304	C	S	.	.	H	α-helix	trans	-63.9	-43.2	174.7	-53.6	0	0	0	0	111.7	E408 L411 Q412 L415 I450 Q455 V456	E408-T452 HydrophobicContact CG-CG2 4.42Å; E408-T452 WeakPolarHBondContact CG-OG1 3.35Å; E408-T452 WeakPolarHBondContact OE1-CB 3.42Å; E408-T452 PolarHBondContact OE1-OG1 3.11Å; L411-T452 HydrophobicContact CB-CG2 4.21Å; L411-T452 HydrophobicContact CD2-CG2 4.02Å; L411-T452 HydrophobicContact CG-CG2 3.92Å; Q412-T452 HydrophobicContact CB-CG2 3.91Å; Q412-T452 PolarHBondContact OE1-OG1 2.82Å; L415-T452 HydrophobicContact CD2-CG2 4.22Å; I450-T452 VanDerWaalsContact C-N 3.3Å; I450-T452 PolarHBondContact O-N 3.34Å; I450-T452 VanDerWaalsContact O-N 3.15Å; T452-Q455 PolarHBondContact O-N 3.18Å; T452-V456 WeakPolarHBondContact O-CG2 3.26Å; T452-V456 PolarHBondContact O-N 2.91Å
453	V	95.4	Very high	93.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63	-44.3	177.4	178.6	0	0	0	0	110.4	L411 V439 L442 I450 Q455 V456 K457	L411-V453 HydrophobicContact CD2-CB 4.38Å; L411-V453 HydrophobicContact CD2-CG2 3.77Å; V439-V453 HydrophobicContact CG1-CG1 4.22Å; V439-V453 HydrophobicContact CG2-CG1 4.39Å; L442-V453 HydrophobicContact CB-CG2 4.14Å; L442-V453 HydrophobicContact CD1-CG2 3.83Å; I450-V453 HydrophobicContact CB-CB 4.3Å; I450-V453 HydrophobicContact CB-CG2 3.98Å; I450-V453 HydrophobicContact CG2-CG2 4.23Å; I450-V453 WeakPolarHBondContact O-CA 3.46Å; I450-V453 WeakPolarHBondContact O-CB 3.49Å; I450-V453 PolarHBondContact O-N 2.85Å; V453-Q455 PolarHBondContact O-N 3.05Å; V453-V456 PolarHBondContact O-N 2.75Å; V453-K457 HydrophobicContact CG1-CD 4.33Å; V453-K457 HydrophobicContact CG1-CG 4.36Å; V453-K457 WeakPolarHBondContact O-CB 3.26Å; V453-K457 WeakPolarHBondContact O-CG 3.47Å; V453-K457 PolarHBondContact O-N 3.31Å
454	V	95.9	Very high	93.2	Very high	71 Å²	71	53.3 Å²	53.3	43%	0.43	30%	0.296	S	S	.	.	H	α-helix	trans	-62.9	-40.5	176.2	177	0	0	0	0	111.8	I450 P451 K458	I450-V454 PolarHBondContact O-N 2.84Å; P451-V454 PolarHBondContact O-N 3.31Å; V454-K458 WeakPolarHBondContact O-CB 3.37Å; V454-K458 PolarHBondContact O-N 2.94Å
455	Q	95.9	Very high	93.5	Very high	95 Å²	95	53.1 Å²	53.1	44%	0.444	29%	0.292	S	S	.	.	H	α-helix	trans	-64.2	-39.5	175	-180	162.9	78.9	0	0	112.3	L415 P451 T452 V453 M459	L415-Q455 HydrophobicContact CD2-CG 4.14Å; P451-Q455 PolarHBondContact O-N 3.27Å; T452-Q455 PolarHBondContact O-N 3.18Å; V453-Q455 PolarHBondContact O-N 3.05Å; Q455-M459 PolarHBondContact O-N 2.78Å; Q455-M459 VanDerWaalsContact O-N 3.14Å
456	V	96.3	Very high	93.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-73.5	-43	178	178	0	0	0	0	111.9	L411 L415 M435 V439 T452 V453 K458 M459 I460	L411-V456 HydrophobicContact CD1-CG1 4.31Å; L411-V456 HydrophobicContact CD1-CG2 4.01Å; L411-V456 HydrophobicContact CD2-CB 4.35Å; L411-V456 HydrophobicContact CD2-CG2 4.07Å; L411-V456 HydrophobicContact CG-CG2 3.98Å; L415-V456 HydrophobicContact CB-CG2 4.33Å; L415-V456 HydrophobicContact CD1-CG2 4.14Å; L415-V456 HydrophobicContact CD2-CG2 3.84Å; L415-V456 HydrophobicContact CG-CG2 4.33Å; M435-V456 HydrophobicContact CB-CG1 4.11Å; M435-V456 HydrophobicContact CE-CB 4.37Å; M435-V456 HydrophobicContact CE-CG1 3.68Å; M435-V456 HydrophobicContact CE-CG2 3.78Å; V439-V456 HydrophobicContact CG2-CB 3.92Å; V439-V456 HydrophobicContact CG2-CG1 3.57Å; T452-V456 WeakPolarHBondContact O-CG2 3.26Å; T452-V456 PolarHBondContact O-N 2.91Å; V453-V456 PolarHBondContact O-N 2.75Å; V456-K458 VanDerWaalsContact C-N 3.28Å; V456-K458 PolarHBondContact O-N 2.78Å; V456-M459 PolarHBondContact O-N 2.86Å; V456-I460 HydrophobicContact CG1-CD1 3.52Å; V456-I460 HydrophobicContact CG1-CG1 4.13Å; V456-I460 WeakPolarHBondContact O-CG1 3.14Å; V456-I460 PolarHBondContact O-N 3.32Å
457	K	96	Very high	94.1	Very high	22 Å²	22	51.2 Å²	51.2	10%	0.096	28%	0.277	C	S	.	.	H	α-helix	trans	-48.5	-52.4	170.5	-79.9	175.7	165.9	-175.2	0	110.5	V439 C448 V453 M459 I460 L461 L485	V439-K457 HydrophobicContact CG1-CG 3.96Å; C448-K457 WeakPolarHBondContact O-CE 3.49Å; C448-K457 PolarHBondContact O-NZ 2.88Å; C448-K457 WeakPolarHBondContact SG-CE 3.36Å; C448-K457 PolarHBondContact SG-NZ 2.95Å; V453-K457 HydrophobicContact CG1-CD 4.33Å; V453-K457 HydrophobicContact CG1-CG 4.36Å; V453-K457 WeakPolarHBondContact O-CB 3.26Å; V453-K457 WeakPolarHBondContact O-CG 3.47Å; V453-K457 PolarHBondContact O-N 3.31Å; K457-M459 PolarHBondContact O-N 2.84Å; K457-I460 PolarHBondContact O-N 2.96Å; K457-L461 WeakPolarHBondContact O-CB 3.38Å; K457-L461 VanDerWaalsContact O-CG 3.26Å; K457-L461 WeakPolarHBondContact O-CG 3.41Å; K457-L461 PolarHBondContact O-N 3.14Å; K457-L485 HydrophobicContact CB-CD1 4.42Å; K457-L485 HydrophobicContact CD-CD2 4.38Å; K457-L485 HydrophobicContact CG-CD1 3.95Å; K457-L485 HydrophobicContact CG-CD2 4.16Å
458	K	95.9	Very high	94.1	Very high	123 Å²	123	58 Å²	58	54%	0.535	30%	0.304	S	S	.	.	H	α-helix	trans	-58.5	-48.7	179.7	-173.7	173.9	-178.2	178.4	0	112	V454 V456 I460 L461 E462	V454-K458 WeakPolarHBondContact O-CB 3.37Å; V454-K458 PolarHBondContact O-N 2.94Å; V456-K458 VanDerWaalsContact C-N 3.28Å; V456-K458 PolarHBondContact O-N 2.78Å; K458-I460 VanDerWaalsContact C-N 3.33Å; K458-I460 PolarHBondContact O-N 2.77Å; K458-L461 PolarHBondContact O-N 2.92Å; K458-E462 WeakPolarHBondContact CE-OE1 3.45Å; K458-E462 WeakPolarHBondContact CE-OE2 3.49Å; K458-E462 HydrophobicContact CG-CG 4.33Å; K458-E462 IonicContact NZ-OE1 2.84Å; K458-E462 IonicContact NZ-OE2 3.72Å; K458-E462 WeakPolarHBondContact O-CB 3.18Å; K458-E462 PolarHBondContact O-N 2.85Å
459	M	95.1	Very high	94.1	Very high	54 Å²	54	60.2 Å²	60.2	27%	0.266	32%	0.316	S	S	.	.	H	α-helix	trans	-57.3	-42.3	177.4	173.5	-178.9	-79.7	0	0	113	L415 M435 Q455 V456 K457 G463 Y476	L415-M459 HydrophobicContact CD1-CE 3.74Å; L415-M459 HydrophobicContact CD1-SD 4.01Å; M435-M459 HydrophobicContact CE-SD 4Å; Q455-M459 PolarHBondContact O-N 2.78Å; Q455-M459 VanDerWaalsContact O-N 3.14Å; V456-M459 PolarHBondContact O-N 2.86Å; K457-M459 PolarHBondContact O-N 2.84Å; M459-G463 WeakPolarHBondContact O-CA 3.44Å; M459-G463 PolarHBondContact O-N 2.8Å; M459-G463 VanDerWaalsContact O-N 3.07Å; M459-Y476 HydrophobicContact CG-CE1 4.49Å
460	I	95.8	Very high	93.8	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-80.1	-30.8	-176.7	-59.9	173.5	0	0	0	111.7	M435 V456 K457 K458 P464 A479 L480	M435-I460 HydrophobicContact CB-CD1 4.43Å; V456-I460 HydrophobicContact CG1-CD1 3.52Å; V456-I460 HydrophobicContact CG1-CG1 4.13Å; V456-I460 WeakPolarHBondContact O-CG1 3.14Å; V456-I460 PolarHBondContact O-N 3.32Å; K457-I460 PolarHBondContact O-N 2.96Å; K458-I460 VanDerWaalsContact C-N 3.33Å; K458-I460 PolarHBondContact O-N 2.77Å; I460-P464 VanDerWaalsContact O-CD 3.29Å; I460-P464 WeakPolarHBondContact O-CD 3.42Å; I460-A479 HydrophobicContact CD1-CB 4.26Å; I460-A479 HydrophobicContact CG1-CB 4.46Å; I460-A479 HydrophobicContact CG2-CB 3.7Å; I460-L480 HydrophobicContact CG2-CD2 3.62Å; I460-L480 HydrophobicContact CG2-CG 3.82Å
461	L	96.8	Very high	93.4	Very high	33 Å²	33	58.2 Å²	58.2	17%	0.173	31%	0.307	C	S	.	.	H	α-helix	trans	-75.3	-41.9	176	-70.7	166.5	0	0	0	112.8	K457 K458 L480 L485 E487 A488 I491	K457-L461 WeakPolarHBondContact O-CB 3.38Å; K457-L461 VanDerWaalsContact O-CG 3.26Å; K457-L461 WeakPolarHBondContact O-CG 3.41Å; K457-L461 PolarHBondContact O-N 3.14Å; K458-L461 PolarHBondContact O-N 2.92Å; L461-L480 HydrophobicContact CD2-CD2 3.87Å; L461-L480 HydrophobicContact CG-CD2 4.46Å; L461-L485 HydrophobicContact CD1-CD1 4.45Å; L461-L485 HydrophobicContact CD2-CD1 4.48Å; L461-L485 HydrophobicContact CG-CD1 4.38Å; L461-E487 HydrophobicContact CD1-CB 4.12Å; L461-E487 HydrophobicContact CD2-CB 4.26Å; L461-A488 HydrophobicContact CD2-CB 3.93Å; L461-I491 HydrophobicContact CB-CD1 4.27Å; L461-I491 HydrophobicContact CD2-CD1 3.82Å; L461-I491 WeakPolarHBondContact O-CD1 3.37Å
462	E	95.6	Very high	93.3	Very high	110 Å²	110	55.5 Å²	55.5	51%	0.514	29%	0.286	S	S	.	.	H	α-helix	trans	-78.6	-22.7	177.2	-65.4	179	159.4	0	0	112.4	K458 E465 S466	K458-E462 WeakPolarHBondContact CE-OE1 3.45Å; K458-E462 WeakPolarHBondContact CE-OE2 3.49Å; K458-E462 HydrophobicContact CG-CG 4.33Å; K458-E462 IonicContact NZ-OE1 2.84Å; K458-E462 IonicContact NZ-OE2 3.72Å; K458-E462 WeakPolarHBondContact O-CB 3.18Å; K458-E462 PolarHBondContact O-N 2.85Å; E462-E465 PolarHBondContact O-N 3.4Å; E462-S466 PolarHBondContact O-N 3.32Å
463	G	93.1	Very high	93.2	Very high	2 Å²	2	55.4 Å²	55.4	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-49	-54.1	-176	0	0	0	0	0	115.9	M459 E465 S466 Y476	M459-G463 WeakPolarHBondContact O-CA 3.44Å; M459-G463 PolarHBondContact O-N 2.8Å; M459-G463 VanDerWaalsContact O-N 3.07Å; G463-E465 PolarHBondContact O-N 2.88Å; G463-E465 VanDerWaalsContact O-N 3.14Å; G463-S466 WeakPolarHBondContact CA-OG 3.39Å; G463-S466 PolarHBondContact O-N 2.94Å; G463-S466 VanDerWaalsContact O-N 3.07Å; G463-S466 PolarHBondContact O-OG 3.35Å; G463-Y476 VanDerWaalsContact CA-CD2 3.49Å; G463-Y476 WeakPolarHBondContact O-CD2 3.3Å; G463-Y476 WeakPolarHBondContact O-CE2 3.3Å
464	P	93.9	Very high	93	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.019	30%	0.297	C	S	.	.	H	α-helix	trans	-60.1	-26.3	-175.4	-23.9	32.4	0	0	0	114.9	I460 L477 L480 I491 F495	I460-P464 VanDerWaalsContact O-CD 3.29Å; I460-P464 WeakPolarHBondContact O-CD 3.42Å; P464-L477 HydrophobicContact CB-CD2 4.47Å; P464-L477 HydrophobicContact CG-CD2 4.43Å; P464-L480 HydrophobicContact CG-CD1 3.83Å; P464-I491 HydrophobicContact CG-CG2 4.38Å; P464-F495 HydrophobicContact CB-CD2 4.4Å; P464-F495 HydrophobicContact CB-CE2 3.61Å; P464-F495 HydrophobicContact CB-CZ 3.7Å; P464-F495 WeakPolarHBondContact O-CZ 3.47Å
465	E	93.2	Very high	92.8	Very high	101 Å²	101	54.7 Å²	54.7	47%	0.472	28%	0.277	S	S	.	.	H	α-helix	trans	-98.8	-10.4	-179.5	-51.9	-158.2	176.1	0	0	112.4	E462 G463 K494 F495	E462-E465 PolarHBondContact O-N 3.4Å; G463-E465 PolarHBondContact O-N 2.88Å; G463-E465 VanDerWaalsContact O-N 3.14Å; E465-K494 WeakPolarHBondContact OE1-CD 3.41Å; E465-K494 WeakPolarHBondContact OE1-CE 3.37Å; E465-K494 IonicContact OE1-NZ 1.83Å; E465-K494 PolarHBondContact OE1-NZ 2.99Å; E465-K494 IonicContact OE2-NZ 3.51Å; E465-K494 PolarHBondContact OE2-NZ 3.07Å; E465-F495 HydrophobicContact CG-CE2 4.17Å; E465-F495 HydrophobicContact CG-CZ 4.4Å
466	S	92.4	Very high	92.9	Very high	82 Å²	82	51.8 Å²	51.8	57%	0.573	26%	0.262	S	S	*	.	H	α-helix	trans	-80.5	-14.2	-177.3	71.5	0	0	0	0	114.7	E462 G463	E462-S466 PolarHBondContact O-N 3.32Å; G463-S466 WeakPolarHBondContact CA-OG 3.39Å; G463-S466 PolarHBondContact O-N 2.94Å; G463-S466 VanDerWaalsContact O-N 3.07Å; G463-S466 PolarHBondContact O-OG 3.35Å
467	T	91	Very high	92.7	Very high	20 Å²	20	51.8 Å²	51.8	12%	0.123	26%	0.262	C	S	.	.			trans	-137.3	155.7	-173	-172.9	0	0	0	0	111.2	V469 E472 V473 Y476	T467-V469 PolarHBondContact OG1-N 3.43Å; T467-E472 WeakPolarHBondContact CB-OE2 3.05Å; T467-E472 HydrophobicContact CG2-CB 3.62Å; T467-E472 PolarHBondContact OG1-OE2 3.11Å; T467-V473 HydrophobicContact CG2-CG2 3.87Å; T467-Y476 HydrophobicContact CG2-CE2 4.4Å
468	Q	87.9	Confident	92.5	Very high	180 Å²	180	51 Å²	51	84%	0.841	26%	0.26	S	S	*	.			trans	-111.8	4.3	173.9	-60.1	-64.9	-49.3	0	0	111.5
469	V	90.7	Very high	92.5	Very high	77 Å²	77	45.2 Å²	45.2	47%	0.467	23%	0.234	S	C	.	.			trans	-84.8	118.1	180	-178.7	0	0	0	0	109	T467 S471 E472 V473	T467-V469 PolarHBondContact OG1-N 3.43Å; V469-S471 PolarHBondContact O-N 2.9Å; V469-E472 HydrophobicContact CB-CB 4.26Å; V469-E472 HydrophobicContact CB-CG 4.02Å; V469-E472 HydrophobicContact CG1-CG 4.05Å; V469-E472 PolarHBondContact O-N 3.32Å; V469-V473 PolarHBondContact O-N 3.09Å; V469-V473 VanDerWaalsContact O-N 3.08Å
470	E	87.1	Confident	92.5	Very high	86 Å²	86	42.6 Å²	42.6	40%	0.402	22%	0.222	S	C	.	.	H	α-helix	trans	-54.1	-48.1	-170.7	170	166.1	-161.8	0	0	113.8	E472 V473 Q474 S502 Y503	E470-E472 VanDerWaalsContact C-N 3.25Å; E470-E472 PolarHBondContact O-N 3.34Å; E470-V473 PolarHBondContact O-N 3.26Å; E470-V473 VanDerWaalsContact O-N 3.16Å; E470-Q474 HydrophobicContact CG-CG 4.26Å; E470-Q474 WeakPolarHBondContact O-CG 3.32Å; E470-Q474 PolarHBondContact O-N 3.25Å; E470-Q474 PolarHBondContact OE1-NE2 2.81Å; E470-S502 PolarHBondContact OE1-OG 2.71Å; E470-Y503 VanDerWaalsContact CA-OH 3.31Å; E470-Y503 WeakPolarHBondContact CA-OH 3.19Å; E470-Y503 HydrophobicContact CG-CE1 3.87Å
471	S	85.6	Confident	92.2	Very high	52 Å²	52	42.7 Å²	42.7	36%	0.364	22%	0.222	S	C	.	.	H	α-helix	trans	-64.1	-30.1	-179.5	58.4	0	0	0	0	113	V469 M475	V469-S471 PolarHBondContact O-N 2.9Å; S471-M475 VanDerWaalsContact O-CB 3.25Å; S471-M475 WeakPolarHBondContact O-CB 3.47Å; S471-M475 PolarHBondContact O-N 2.77Å
472	E	90.6	Very high	92	Very high	48 Å²	48	41.2 Å²	41.2	22%	0.224	21%	0.214	C	C	.	.	H	α-helix	trans	-73.9	-37	174.9	-60.4	-164.4	138.1	0	0	112	K428 T467 V469 E470 M475 Y476	K428-E472 IonicContact NZ-OE1 2.68Å; K428-E472 PolarHBondContact NZ-OE1 2.78Å; T467-E472 WeakPolarHBondContact CB-OE2 3.05Å; T467-E472 HydrophobicContact CG2-CB 3.62Å; T467-E472 PolarHBondContact OG1-OE2 3.11Å; V469-E472 HydrophobicContact CB-CB 4.26Å; V469-E472 HydrophobicContact CB-CG 4.02Å; V469-E472 HydrophobicContact CG1-CG 4.05Å; V469-E472 PolarHBondContact O-N 3.32Å; E470-E472 VanDerWaalsContact C-N 3.25Å; E470-E472 PolarHBondContact O-N 3.34Å; E472-M475 HydrophobicContact CB-CE 4.32Å; E472-M475 WeakPolarHBondContact O-CB 3.31Å; E472-M475 PolarHBondContact O-N 2.83Å; E472-Y476 WeakPolarHBondContact O-CD2 3.17Å; E472-Y476 PolarHBondContact O-N 3.3Å; E472-Y476 VanDerWaalsContact O-N 3.09Å
473	V	93.5	Very high	91.9	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.03	19%	0.19	C	C	.	.	H	α-helix	trans	-63.5	-47.3	172	-179.9	0	0	0	0	110.1	T467 V469 E470 M475 Y476 L477 F495 Y503	T467-V473 HydrophobicContact CG2-CG2 3.87Å; V469-V473 PolarHBondContact O-N 3.09Å; V469-V473 VanDerWaalsContact O-N 3.08Å; E470-V473 PolarHBondContact O-N 3.26Å; E470-V473 VanDerWaalsContact O-N 3.16Å; V473-M475 PolarHBondContact O-N 2.88Å; V473-Y476 PolarHBondContact O-N 3.18Å; V473-L477 HydrophobicContact CG1-CD1 3.97Å; V473-L477 HydrophobicContact CG1-CG 4.38Å; V473-L477 WeakPolarHBondContact O-CG 3.41Å; V473-L477 PolarHBondContact O-N 2.87Å; V473-F495 HydrophobicContact CG1-CD1 4.26Å; V473-F495 HydrophobicContact CG1-CE1 3.67Å; V473-F495 HydrophobicContact CG1-CZ 4.31Å; V473-Y503 HydrophobicContact CB-CD1 4.35Å; V473-Y503 HydrophobicContact CB-CE1 3.63Å; V473-Y503 HydrophobicContact CG1-CD1 3.8Å; V473-Y503 HydrophobicContact CG1-CD2 4.34Å; V473-Y503 HydrophobicContact CG1-CE1 3.52Å; V473-Y503 HydrophobicContact CG1-CE2 4.13Å; V473-Y503 HydrophobicContact CG1-CG 4.22Å
474	Q	90.2	Very high	91.8	Very high	52 Å²	52	37.4 Å²	37.4	24%	0.243	20%	0.197	C	C	.	.	H	α-helix	trans	-58.7	-44.7	175.5	-67.2	-173.8	22.1	0	0	111.9	E470 Y476 L477 L478 S502 Y503 I506	E470-Q474 HydrophobicContact CG-CG 4.26Å; E470-Q474 WeakPolarHBondContact O-CG 3.32Å; E470-Q474 PolarHBondContact O-N 3.25Å; E470-Q474 PolarHBondContact OE1-NE2 2.81Å; Q474-Y476 PolarHBondContact O-N 3.41Å; Q474-L477 PolarHBondContact O-N 3.35Å; Q474-L478 WeakPolarHBondContact O-CB 3.32Å; Q474-L478 VanDerWaalsContact O-CG 3.27Å; Q474-L478 WeakPolarHBondContact O-CG 3.36Å; Q474-L478 PolarHBondContact O-N 2.86Å; Q474-S502 PolarHBondContact NE2-OG 3.02Å; Q474-Y503 HydrophobicContact CG-CD1 4.02Å; Q474-Y503 HydrophobicContact CG-CE1 3.96Å; Q474-I506 HydrophobicContact CB-CD1 3.95Å; Q474-I506 HydrophobicContact CG-CD1 3.88Å
475	M	93.2	Very high	91.8	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.02	20%	0.197	C	C	.	.	H	α-helix	trans	-53.9	-48.7	175.1	172	-169	71.7	0	0	112.3	E429 V432 S471 E472 V473 L478 A479	E429-M475 HydrophobicContact CB-CG 4.31Å; E429-M475 HydrophobicContact CG-CB 4.18Å; E429-M475 HydrophobicContact CG-CG 4.24Å; E429-M475 HydrophobicContact CG-SD 4.2Å; V432-M475 HydrophobicContact CB-CE 4.45Å; V432-M475 HydrophobicContact CB-CG 3.81Å; V432-M475 HydrophobicContact CB-SD 3.82Å; V432-M475 HydrophobicContact CG1-CE 4.34Å; V432-M475 HydrophobicContact CG1-CG 4.01Å; V432-M475 HydrophobicContact CG1-SD 4.27Å; V432-M475 HydrophobicContact CG2-CE 4.21Å; V432-M475 HydrophobicContact CG2-CG 4.42Å; V432-M475 HydrophobicContact CG2-SD 3.74Å; S471-M475 VanDerWaalsContact O-CB 3.25Å; S471-M475 WeakPolarHBondContact O-CB 3.47Å; S471-M475 PolarHBondContact O-N 2.77Å; E472-M475 HydrophobicContact CB-CE 4.32Å; E472-M475 WeakPolarHBondContact O-CB 3.31Å; E472-M475 PolarHBondContact O-N 2.83Å; V473-M475 PolarHBondContact O-N 2.88Å; M475-L478 PolarHBondContact O-N 3.23Å; M475-A479 WeakPolarHBondContact O-CB 3.33Å; M475-A479 PolarHBondContact O-N 3.46Å
476	Y	96.6	Very high	91.8	Very high	33 Å²	33	36.1 Å²	36.1	13%	0.129	20%	0.197	C	C	.	.	H	α-helix	trans	-69.6	-38.8	178.7	-69.8	-62.4	0	0	0	112.3	V432 M459 G463 T467 E472 V473 Q474 L478 A479 L480	V432-Y476 HydrophobicContact CG1-CD1 3.89Å; V432-Y476 HydrophobicContact CG1-CE1 3.99Å; M459-Y476 HydrophobicContact CG-CE1 4.49Å; G463-Y476 VanDerWaalsContact CA-CD2 3.49Å; G463-Y476 WeakPolarHBondContact O-CD2 3.3Å; G463-Y476 WeakPolarHBondContact O-CE2 3.3Å; T467-Y476 HydrophobicContact CG2-CE2 4.4Å; E472-Y476 WeakPolarHBondContact O-CD2 3.17Å; E472-Y476 PolarHBondContact O-N 3.3Å; E472-Y476 VanDerWaalsContact O-N 3.09Å; V473-Y476 PolarHBondContact O-N 3.18Å; Q474-Y476 PolarHBondContact O-N 3.41Å; Y476-L478 VanDerWaalsContact C-N 3.34Å; Y476-L478 PolarHBondContact O-N 2.99Å; Y476-A479 PolarHBondContact O-N 2.86Å; Y476-L480 WeakPolarHBondContact O-CG 3.43Å; Y476-L480 PolarHBondContact O-N 3.48Å
477	L	93.4	Very high	91.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.1	-38	175	-68.3	173.3	0	0	0	112.3	P464 V473 Q474 L480 K481 L492 F495 Y503 I506	P464-L477 HydrophobicContact CB-CD2 4.47Å; P464-L477 HydrophobicContact CG-CD2 4.43Å; V473-L477 HydrophobicContact CG1-CD1 3.97Å; V473-L477 HydrophobicContact CG1-CG 4.38Å; V473-L477 WeakPolarHBondContact O-CG 3.41Å; V473-L477 PolarHBondContact O-N 2.87Å; Q474-L477 PolarHBondContact O-N 3.35Å; L477-L480 HydrophobicContact CD2-CD1 4.48Å; L477-L480 PolarHBondContact O-N 3.25Å; L477-K481 PolarHBondContact O-N 2.85Å; L477-L492 HydrophobicContact CD2-CD2 4.11Å; L477-F495 HydrophobicContact CD1-CB 4.39Å; L477-F495 HydrophobicContact CD1-CD1 4.13Å; L477-F495 HydrophobicContact CD1-CG 4.32Å; L477-F495 HydrophobicContact CD2-CB 4.04Å; L477-F495 HydrophobicContact CD2-CD1 4.47Å; L477-F495 HydrophobicContact CD2-CD2 4.12Å; L477-F495 HydrophobicContact CD2-CG 3.95Å; L477-Y503 HydrophobicContact CD1-CD1 3.99Å; L477-Y503 HydrophobicContact CD1-CG 4.1Å; L477-I506 HydrophobicContact CB-CB 4.4Å; L477-I506 HydrophobicContact CB-CG2 3.64Å
478	L	90.8	Very high	92.1	Very high	7 Å²	7	35.9 Å²	35.9	4%	0.037	19%	0.185	C	C	.	.	H	α-helix	trans	-68.2	-37.4	173.5	-71.3	165	0	0	0	112.1	I433 Q474 M475 Y476 K481 N482 I506 Q735 P738	I433-L478 HydrophobicContact CD1-CB 3.95Å; I433-L478 HydrophobicContact CD1-CD1 3.87Å; I433-L478 HydrophobicContact CG1-CB 3.83Å; Q474-L478 WeakPolarHBondContact O-CB 3.32Å; Q474-L478 VanDerWaalsContact O-CG 3.27Å; Q474-L478 WeakPolarHBondContact O-CG 3.36Å; Q474-L478 PolarHBondContact O-N 2.86Å; M475-L478 PolarHBondContact O-N 3.23Å; Y476-L478 VanDerWaalsContact C-N 3.34Å; Y476-L478 PolarHBondContact O-N 2.99Å; L478-K481 WeakPolarHBondContact O-CB 3.41Å; L478-K481 PolarHBondContact O-N 3.06Å; L478-N482 PolarHBondContact O-N 3.43Å; L478-N482 VanDerWaalsContact O-N 3.09Å; L478-I506 HydrophobicContact CD2-CG1 4.42Å; L478-I506 HydrophobicContact CD2-CG2 4Å; L478-I506 HydrophobicContact CG-CD1 4.32Å; L478-I506 HydrophobicContact CG-CG2 4.13Å; L478-Q735 HydrophobicContact CD2-CG 3.82Å; L478-P738 HydrophobicContact CD1-CG 3.97Å
479	A	95.4	Very high	92.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-66.1	-36.8	172.3	0	0	0	0	0	112.2	V432 I460 M475 Y476 N482 S483	V432-A479 HydrophobicContact CG1-CB 3.92Å; V432-A479 WeakPolarHBondContact O-CB 3.22Å; I460-A479 HydrophobicContact CD1-CB 4.26Å; I460-A479 HydrophobicContact CG1-CB 4.46Å; I460-A479 HydrophobicContact CG2-CB 3.7Å; M475-A479 WeakPolarHBondContact O-CB 3.33Å; M475-A479 PolarHBondContact O-N 3.46Å; Y476-A479 PolarHBondContact O-N 2.86Å; A479-N482 PolarHBondContact O-N 3.19Å; A479-S483 WeakPolarHBondContact O-CB 3.19Å; A479-S483 PolarHBondContact O-N 3.05Å
480	L	96.2	Very high	92.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.6	-43.3	170.7	-69.6	173.8	0	0	0	111.7	I460 L461 P464 Y476 L477 N482 S483 L484 A488 I491 L492	I460-L480 HydrophobicContact CG2-CD2 3.62Å; I460-L480 HydrophobicContact CG2-CG 3.82Å; L461-L480 HydrophobicContact CD2-CD2 3.87Å; L461-L480 HydrophobicContact CG-CD2 4.46Å; P464-L480 HydrophobicContact CG-CD1 3.83Å; Y476-L480 WeakPolarHBondContact O-CG 3.43Å; Y476-L480 PolarHBondContact O-N 3.48Å; L477-L480 HydrophobicContact CD2-CD1 4.48Å; L477-L480 PolarHBondContact O-N 3.25Å; L480-N482 PolarHBondContact O-N 2.96Å; L480-S483 WeakPolarHBondContact CA-OG 3.27Å; L480-S483 PolarHBondContact O-N 2.92Å; L480-S483 VanDerWaalsContact O-N 3.1Å; L480-S483 PolarHBondContact O-OG 2.87Å; L480-L484 PolarHBondContact O-N 3.41Å; L480-L484 VanDerWaalsContact O-N 3.13Å; L480-A488 HydrophobicContact CD2-CB 3.74Å; L480-A488 HydrophobicContact CG-CB 4.5Å; L480-I491 HydrophobicContact CD1-CG2 4.34Å; L480-L492 HydrophobicContact CB-CD2 4.22Å; L480-L492 HydrophobicContact CD1-CD2 4.38Å
481	K	90.1	Very high	93.2	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.009	14%	0.142	C	C	.	.	H	α-helix	trans	-57.8	-25.7	172.7	-176.2	167.7	179.6	-173.2	0	113.3	L477 L478 L484 T509 A510 R513 H668 Q735	L477-K481 PolarHBondContact O-N 2.85Å; L478-K481 WeakPolarHBondContact O-CB 3.41Å; L478-K481 PolarHBondContact O-N 3.06Å; K481-L484 WeakPolarHBondContact O-CD2 3.39Å; K481-T509 VanDerWaalsContact CE-O 3.26Å; K481-T509 WeakPolarHBondContact CE-O 3.47Å; K481-T509 PolarHBondContact NZ-OG1 2.96Å; K481-A510 HydrophobicContact CB-CB 3.73Å; K481-A510 HydrophobicContact CD-CB 4.26Å; K481-A510 HydrophobicContact CG-CB 3.89Å; K481-R513 PolarHBondContact O-NH1 2.96Å; K481-H668 PolarHBondContact NZ-CD2 3.46Å; K481-H668 PolarHBondContact NZ-NE2 3.26Å; K481-Q735 HydrophobicContact CD-CG 4.38Å; K481-Q735 VanDerWaalsContact CE-OE1 3.26Å
482	N	91	Very high	93.6	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.011	13%	0.125	C	C	.	.	H	α-helix	trans	-87.8	-36.1	172.4	-96.4	-17.9	0	0	0	114.1	I433 A437 H440 L478 A479 L480 Q735	I433-N482 WeakPolarHBondContact CG2-ND2 3.23Å; I433-N482 PolarHBondContact O-ND2 3.43Å; A437-N482 HydrophobicContact CB-CB 4.15Å; H440-N482 WeakPolarHBondContact CB-O 3.34Å; L478-N482 PolarHBondContact O-N 3.43Å; L478-N482 VanDerWaalsContact O-N 3.09Å; A479-N482 PolarHBondContact O-N 3.19Å; L480-N482 PolarHBondContact O-N 2.96Å; N482-Q735 PolarHBondContact ND2-O 2.93Å; N482-Q735 VanDerWaalsContact OD1-CB 3.29Å; N482-Q735 WeakPolarHBondContact OD1-CB 3.38Å; N482-Q735 PolarHBondContact OD1-N 3.46Å
483	S	94	Very high	93.8	Very high	2 Å²	2	22 Å²	22	1%	0.014	12%	0.119	C	C	.	.	H	α-helix	trans	-72.9	-31.6	-175.6	71.7	0	0	0	0	114	G436 H440 A479 L480 L485	G436-S483 WeakPolarHBondContact O-CA 3.22Å; H440-S483 WeakPolarHBondContact CB-O 3.36Å; H440-S483 PolarHBondContact ND1-O 3.45Å; A479-S483 WeakPolarHBondContact O-CB 3.19Å; A479-S483 PolarHBondContact O-N 3.05Å; L480-S483 WeakPolarHBondContact CA-OG 3.27Å; L480-S483 PolarHBondContact O-N 2.92Å; L480-S483 VanDerWaalsContact O-N 3.1Å; L480-S483 PolarHBondContact O-OG 2.87Å; S483-L485 PolarHBondContact O-N 3.5Å
484	L	91.1	Very high	93.9	Very high	29 Å²	29	27.5 Å²	27.5	15%	0.152	14%	0.143	C	C	.	.			trans	47.4	42.3	-176.1	-54.5	178.3	0	0	0	113.3	L480 K481 R513 Y514	L480-L484 PolarHBondContact O-N 3.41Å; L480-L484 VanDerWaalsContact O-N 3.13Å; K481-L484 WeakPolarHBondContact O-CD2 3.39Å; L484-R513 HydrophobicContact CD1-CB 4.32Å; L484-R513 HydrophobicContact CD2-CB 3.68Å; L484-Y514 WeakPolarHBondContact CA-OH 3.35Å; L484-Y514 HydrophobicContact CB-CE1 4.29Å; L484-Y514 HydrophobicContact CD2-CD2 4.25Å; L484-Y514 HydrophobicContact CD2-CE2 3.89Å
485	L	94.2	Very high	94.2	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.031	14%	0.136	C	C	.	.			trans	-76.4	125.2	178.9	-69.5	169.4	0	0	0	110.4	V439 K457 L461 S483 E487 A488 Y514	V439-L485 HydrophobicContact CG1-CD1 4.39Å; V439-L485 HydrophobicContact CG1-CD2 4.16Å; K457-L485 HydrophobicContact CB-CD1 4.42Å; K457-L485 HydrophobicContact CD-CD2 4.38Å; K457-L485 HydrophobicContact CG-CD1 3.95Å; K457-L485 HydrophobicContact CG-CD2 4.16Å; L461-L485 HydrophobicContact CD1-CD1 4.45Å; L461-L485 HydrophobicContact CD2-CD1 4.48Å; L461-L485 HydrophobicContact CG-CD1 4.38Å; S483-L485 PolarHBondContact O-N 3.5Å; L485-E487 PolarHBondContact O-N 3.09Å; L485-E487 VanDerWaalsContact O-N 3.13Å; L485-A488 HydrophobicContact CB-CB 4.28Å; L485-A488 WeakPolarHBondContact O-CB 3.35Å; L485-A488 PolarHBondContact O-N 2.98Å; L485-Y514 PolarHBondContact N-OH 2.9Å; L485-Y514 WeakPolarHBondContact O-CE1 3.38Å; L485-Y514 PolarHBondContact O-OH 3.44Å
486	P	93.4	Very high	94.2	Very high	71 Å²	71	25.9 Å²	25.9	46%	0.461	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-54.5	-32.3	175.6	-27.1	35.5	0	0	0	113.5	A488 I489 L518	P486-A488 PolarHBondContact O-N 3.28Å; P486-I489 WeakPolarHBondContact O-CG1 3.14Å; P486-I489 PolarHBondContact O-N 3.44Å; P486-L518 HydrophobicContact CG-CD1 4.29Å
487	E	94.2	Very high	94	Very high	98 Å²	98	26.4 Å²	26.4	46%	0.458	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-63.6	-19	175.8	-52.2	96.2	134.9	0	0	113.3	L461 L485	L461-E487 HydrophobicContact CD1-CB 4.12Å; L461-E487 HydrophobicContact CD2-CB 4.26Å; L485-E487 PolarHBondContact O-N 3.09Å; L485-E487 VanDerWaalsContact O-N 3.13Å
488	A	95.4	Very high	93.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-82.1	-19.3	178	0	0	0	0	0	113.7	L461 L480 L485 P486 I491 L492	L461-A488 HydrophobicContact CD2-CB 3.93Å; L480-A488 HydrophobicContact CD2-CB 3.74Å; L480-A488 HydrophobicContact CG-CB 4.5Å; L485-A488 HydrophobicContact CB-CB 4.28Å; L485-A488 WeakPolarHBondContact O-CB 3.35Å; L485-A488 PolarHBondContact O-N 2.98Å; P486-A488 PolarHBondContact O-N 3.28Å; A488-I491 WeakPolarHBondContact O-CA 3.48Å; A488-I491 WeakPolarHBondContact O-CB 3.48Å; A488-I491 PolarHBondContact O-N 3.07Å; A488-L492 HydrophobicContact CB-CD1 4.35Å; A488-L492 WeakPolarHBondContact O-CG 3.01Å; A488-L492 PolarHBondContact O-N 2.86Å
489	I	95.6	Very high	93.6	Very high	12 Å²	12	35.6 Å²	35.6	6%	0.062	19%	0.185	C	C	.	.	H	α-helix	trans	-57.4	-42.7	-173.2	-64.2	172.8	0	0	0	112.5	P486 I491 T493 L511 Y514 L518 V523	P486-I489 WeakPolarHBondContact O-CG1 3.14Å; P486-I489 PolarHBondContact O-N 3.44Å; I489-I491 VanDerWaalsContact C-N 3.33Å; I489-I491 PolarHBondContact O-N 3.44Å; I489-T493 VanDerWaalsContact O-CB 3.3Å; I489-T493 WeakPolarHBondContact O-CB 3.39Å; I489-T493 PolarHBondContact O-N 3.47Å; I489-T493 PolarHBondContact O-OG1 2.88Å; I489-L511 HydrophobicContact CG2-CD2 4.07Å; I489-Y514 HydrophobicContact CD1-CD1 3.7Å; I489-Y514 HydrophobicContact CD1-CE1 4Å; I489-Y514 HydrophobicContact CD1-CG 4.27Å; I489-Y514 HydrophobicContact CG1-CD1 3.86Å; I489-Y514 HydrophobicContact CG1-CE1 3.72Å; I489-Y514 HydrophobicContact CG1-CG 4.33Å; I489-L518 HydrophobicContact CD1-CB 3.69Å; I489-L518 HydrophobicContact CD1-CD1 4.41Å; I489-V523 HydrophobicContact CG2-CG2 3.58Å
490	P	95.9	Very high	93.1	Very high	92 Å²	92	38 Å²	38	60%	0.597	20%	0.2	S	C	*	.	H	α-helix	trans	-63.3	-36.3	174.2	-22.7	35	0	0	0	113.3	T493 K494	P490-T493 PolarHBondContact O-N 3.17Å; P490-K494 PolarHBondContact O-N 3.29Å
491	I	95.9	Very high	92.3	Very high	28 Å²	28	38.4 Å²	38.4	14%	0.144	20%	0.204	C	C	.	.	H	α-helix	trans	-68.3	-50.4	179.4	-52.4	177	0	0	0	109.4	L461 P464 L480 A488 I489 T493 K494 F495	L461-I491 HydrophobicContact CB-CD1 4.27Å; L461-I491 HydrophobicContact CD2-CD1 3.82Å; L461-I491 WeakPolarHBondContact O-CD1 3.37Å; P464-I491 HydrophobicContact CG-CG2 4.38Å; L480-I491 HydrophobicContact CD1-CG2 4.34Å; A488-I491 WeakPolarHBondContact O-CA 3.48Å; A488-I491 WeakPolarHBondContact O-CB 3.48Å; A488-I491 PolarHBondContact O-N 3.07Å; I489-I491 VanDerWaalsContact C-N 3.33Å; I489-I491 PolarHBondContact O-N 3.44Å; I491-T493 VanDerWaalsContact C-N 3.28Å; I491-T493 PolarHBondContact O-N 3.26Å; I491-K494 WeakPolarHBondContact O-CB 3.45Å; I491-K494 PolarHBondContact O-N 3.44Å; I491-K494 VanDerWaalsContact O-N 3.11Å; I491-F495 HydrophobicContact CG2-CD2 3.89Å; I491-F495 HydrophobicContact CG2-CE2 3.98Å; I491-F495 WeakPolarHBondContact O-CD2 3.47Å; I491-F495 PolarHBondContact O-N 3.38Å
492	L	95.3	Very high	92	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.9	-40.3	175	-63.1	173.4	0	0	0	111.2	L477 L480 A488 K494 F495 A496 A507 A510 L511 Y514	L477-L492 HydrophobicContact CD2-CD2 4.11Å; L480-L492 HydrophobicContact CB-CD2 4.22Å; L480-L492 HydrophobicContact CD1-CD2 4.38Å; A488-L492 HydrophobicContact CB-CD1 4.35Å; A488-L492 WeakPolarHBondContact O-CG 3.01Å; A488-L492 PolarHBondContact O-N 2.86Å; L492-K494 VanDerWaalsContact C-N 3.34Å; L492-K494 PolarHBondContact O-N 2.89Å; L492-F495 PolarHBondContact O-N 3.29Å; L492-A496 WeakPolarHBondContact O-CB 3.29Å; L492-A496 PolarHBondContact O-N 2.91Å; L492-A507 HydrophobicContact CD2-CB 4.42Å; L492-A507 WeakPolarHBondContact O-CB 3.37Å; L492-A510 HydrophobicContact CD1-CB 3.82Å; L492-A510 HydrophobicContact CD2-CB 3.97Å; L492-L511 HydrophobicContact CB-CD1 4.38Å; L492-L511 HydrophobicContact CB-CD2 3.98Å; L492-L511 HydrophobicContact CB-CG 3.98Å; L492-L511 HydrophobicContact CD1-CD2 4.36Å; L492-Y514 HydrophobicContact CD1-CE2 3.61Å
493	T	95.4	Very high	91.9	Very high	18 Å²	18	41 Å²	41	11%	0.11	22%	0.219	C	C	.	.	H	α-helix	trans	-63.9	-36.1	176.4	-56.7	0	0	0	0	112.4	I489 P490 I491 T526	I489-T493 VanDerWaalsContact O-CB 3.3Å; I489-T493 WeakPolarHBondContact O-CB 3.39Å; I489-T493 PolarHBondContact O-N 3.47Å; I489-T493 PolarHBondContact O-OG1 2.88Å; P490-T493 PolarHBondContact O-N 3.17Å; I491-T493 VanDerWaalsContact C-N 3.28Å; I491-T493 PolarHBondContact O-N 3.26Å; T493-T526 HydrophobicContact CG2-CG2 3.71Å
494	K	95.3	Very high	91.7	Very high	122 Å²	122	41 Å²	41	53%	0.53	22%	0.219	S	C	.	.	H	α-helix	trans	-67.3	-47.6	172.7	175.6	-178.6	172.1	-178	0	111.8	E465 P490 I491 L492 A496 E497	E465-K494 WeakPolarHBondContact OE1-CD 3.41Å; E465-K494 WeakPolarHBondContact OE1-CE 3.37Å; E465-K494 IonicContact OE1-NZ 1.83Å; E465-K494 PolarHBondContact OE1-NZ 2.99Å; E465-K494 IonicContact OE2-NZ 3.51Å; E465-K494 PolarHBondContact OE2-NZ 3.07Å; P490-K494 PolarHBondContact O-N 3.29Å; I491-K494 WeakPolarHBondContact O-CB 3.45Å; I491-K494 PolarHBondContact O-N 3.44Å; I491-K494 VanDerWaalsContact O-N 3.11Å; L492-K494 VanDerWaalsContact C-N 3.34Å; L492-K494 PolarHBondContact O-N 2.89Å; K494-A496 VanDerWaalsContact C-N 3.28Å; K494-A496 PolarHBondContact O-N 2.69Å; K494-E497 PolarHBondContact O-N 3.48Å
495	F	94.9	Very high	91.4	Very high	22 Å²	22	41 Å²	41	10%	0.096	22%	0.22	C	C	.	.	H	α-helix	trans	-70.7	-21.3	179.5	-81.2	-86.6	0	0	0	113.4	P464 E465 V473 L477 I491 L492 E497 S498 Y503 A507	P464-F495 HydrophobicContact CB-CD2 4.4Å; P464-F495 HydrophobicContact CB-CE2 3.61Å; P464-F495 HydrophobicContact CB-CZ 3.7Å; P464-F495 WeakPolarHBondContact O-CZ 3.47Å; E465-F495 HydrophobicContact CG-CE2 4.17Å; E465-F495 HydrophobicContact CG-CZ 4.4Å; V473-F495 HydrophobicContact CG1-CD1 4.26Å; V473-F495 HydrophobicContact CG1-CE1 3.67Å; V473-F495 HydrophobicContact CG1-CZ 4.31Å; L477-F495 HydrophobicContact CD1-CB 4.39Å; L477-F495 HydrophobicContact CD1-CD1 4.13Å; L477-F495 HydrophobicContact CD1-CG 4.32Å; L477-F495 HydrophobicContact CD2-CB 4.04Å; L477-F495 HydrophobicContact CD2-CD1 4.47Å; L477-F495 HydrophobicContact CD2-CD2 4.12Å; L477-F495 HydrophobicContact CD2-CG 3.95Å; I491-F495 HydrophobicContact CG2-CD2 3.89Å; I491-F495 HydrophobicContact CG2-CE2 3.98Å; I491-F495 WeakPolarHBondContact O-CD2 3.47Å; I491-F495 PolarHBondContact O-N 3.38Å; L492-F495 PolarHBondContact O-N 3.29Å; F495-E497 VanDerWaalsContact C-N 3.32Å; F495-E497 PolarHBondContact O-N 3.25Å; F495-S498 WeakPolarHBondContact O-CB 3.46Å; F495-S498 PolarHBondContact O-N 3.26Å; F495-S498 VanDerWaalsContact O-N 3.1Å; F495-Y503 HydrophobicContact CD1-CD2 4.11Å; F495-Y503 HydrophobicContact CD1-CG 4.3Å; F495-Y503 HydrophobicContact CE1-CD2 4.39Å; F495-A507 HydrophobicContact CB-CB 4.16Å
496	A	93.3	Very high	91	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-24.1	173.3	0	0	0	0	0	114.4	L492 K494 S504 A507 L508 I530	L492-A496 WeakPolarHBondContact O-CB 3.29Å; L492-A496 PolarHBondContact O-N 2.91Å; K494-A496 VanDerWaalsContact C-N 3.28Å; K494-A496 PolarHBondContact O-N 2.69Å; A496-S504 PolarHBondContact O-OG 3.16Å; A496-A507 HydrophobicContact CB-CB 4.18Å; A496-L508 HydrophobicContact CB-CD2 4.04Å; A496-L508 HydrophobicContact CB-CG 4.11Å; A496-I530 HydrophobicContact CB-CD1 3.84Å; A496-I530 WeakPolarHBondContact O-CD1 3.49Å
497	E	93.1	Very high	91	Very high	43 Å²	43	38.2 Å²	38.2	20%	0.201	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	3.8	170.4	-71.8	-167.6	118.1	0	0	112.9	K494 F495 T526 R529 I530 R535 R536 Y538	K494-E497 PolarHBondContact O-N 3.48Å; F495-E497 VanDerWaalsContact C-N 3.32Å; F495-E497 PolarHBondContact O-N 3.25Å; E497-T526 HydrophobicContact CG-CG2 3.68Å; E497-R529 VanDerWaalsContact CD-NH2 3.27Å; E497-R529 IonicContact OE1-CZ 3.95Å; E497-R529 IonicContact OE1-NE 3.76Å; E497-R529 PolarHBondContact OE1-NE 3.4Å; E497-R529 IonicContact OE1-NH2 2.71Å; E497-R529 PolarHBondContact OE1-NH2 3.32Å; E497-R529 IonicContact OE2-CZ 3.8Å; E497-R529 IonicContact OE2-NE 3.91Å; E497-R529 IonicContact OE2-NH2 3.1Å; E497-R529 PolarHBondContact OE2-NH2 2.97Å; E497-I530 HydrophobicContact CG-CD1 4.09Å; E497-I530 HydrophobicContact CG-CG1 4.01Å; E497-R535 VanDerWaalsContact CD-NH1 3.27Å; E497-R535 IonicContact OE1-CZ 3.9Å; E497-R535 IonicContact OE1-NH1 2.68Å; E497-R535 PolarHBondContact OE1-NH1 3.28Å; E497-R535 IonicContact OE2-NH1 3.89Å; E497-R535 PolarHBondContact OE2-NH1 3.07Å; E497-R536 PolarHBondContact O-NE 2.88Å; E497-R536 PolarHBondContact O-NH2 3.27Å; E497-Y538 WeakPolarHBondContact CG-OH 3.41Å
498	S	89.4	Confident	90.8	Very high	32 Å²	32	33.6 Å²	33.6	22%	0.224	18%	0.18	C	C	.	.			trans	-69.8	141.2	-173.8	-167.9	0	0	0	0	113.7	F495 V500 S504 R536	F495-S498 WeakPolarHBondContact O-CB 3.46Å; F495-S498 PolarHBondContact O-N 3.26Å; F495-S498 VanDerWaalsContact O-N 3.1Å; S498-V500 PolarHBondContact O-N 2.75Å; S498-V500 VanDerWaalsContact O-N 3.13Å; S498-S504 PolarHBondContact O-OG 3.29Å; S498-R536 PolarHBondContact O-NH2 3.35Å
499	E	85.6	Confident	90.4	Very high	168 Å²	168	33.8 Å²	33.8	79%	0.785	18%	0.181	S	C	*	.	S	Bend	trans	-58.5	-29.2	-173.8	-65.2	-175.8	161.4	0	0	113.3
500	V	85.1	Confident	90	Very high	52 Å²	52	33.2 Å²	33.2	32%	0.315	18%	0.178	S	C	.	.	S	Bend	trans	-78.3	119.8	174	-162.4	0	0	0	0	110.8	S498 S502 Y503 S504	S498-V500 PolarHBondContact O-N 2.75Å; S498-V500 VanDerWaalsContact O-N 3.13Å; V500-S502 VanDerWaalsContact C-N 3.3Å; V500-S502 WeakPolarHBondContact CG1-OG 3.31Å; V500-S502 PolarHBondContact O-N 3.01Å; V500-Y503 HydrophobicContact CB-CD2 3.63Å; V500-Y503 HydrophobicContact CB-CE2 3.77Å; V500-Y503 HydrophobicContact CB-CG 4.07Å; V500-Y503 HydrophobicContact CG1-CD2 4.45Å; V500-Y503 HydrophobicContact CG1-CE2 4.42Å; V500-Y503 HydrophobicContact CG2-CD2 3.85Å; V500-Y503 HydrophobicContact CG2-CE2 3.51Å; V500-Y503 PolarHBondContact O-N 2.95Å; V500-S504 PolarHBondContact O-N 2.92Å; V500-S504 PolarHBondContact O-OG 2.58Å
501	G	80.9	Confident	89.8	Confident	8 Å²	8	29 Å²	29	8%	0.082	15%	0.15	C	C	.	.	H	α-helix	trans	-66.5	-26.7	-179.2	0	0	0	0	0	114.8	S504 T505 E539	G501-S504 PolarHBondContact O-N 3Å; G501-T505 WeakPolarHBondContact O-CB 3.48Å; G501-T505 PolarHBondContact O-N 2.94Å; G501-T505 PolarHBondContact O-OG1 3.48Å; G501-E539 VanDerWaalsContact CA-OE1 3.32Å; G501-E539 WeakPolarHBondContact CA-OE1 3.5Å
502	S	82.1	Confident	89.3	Confident	35 Å²	35	29.8 Å²	29.8	25%	0.245	15%	0.153	C	C	.	.	H	α-helix	trans	-60.4	-52.5	174	65.6	0	0	0	0	110.9	E470 Q474 V500 S504 T505 I506	E470-S502 PolarHBondContact OE1-OG 2.71Å; Q474-S502 PolarHBondContact NE2-OG 3.02Å; V500-S502 VanDerWaalsContact C-N 3.3Å; V500-S502 WeakPolarHBondContact CG1-OG 3.31Å; V500-S502 PolarHBondContact O-N 3.01Å; S502-S504 PolarHBondContact O-N 3.21Å; S502-T505 PolarHBondContact O-N 3.26Å; S502-I506 VanDerWaalsContact O-CG1 3.3Å; S502-I506 WeakPolarHBondContact O-CG1 3.37Å; S502-I506 PolarHBondContact O-N 3.18Å
503	Y	89.5	Confident	88.8	Confident	23 Å²	23	31.6 Å²	31.6	9%	0.09	16%	0.16	C	C	.	.	H	α-helix	trans	-59	-46.6	174.9	-55.2	-21.8	0	0	0	111.5	E470 V473 Q474 L477 F495 V500 T505 I506 A507	E470-Y503 VanDerWaalsContact CA-OH 3.31Å; E470-Y503 WeakPolarHBondContact CA-OH 3.19Å; E470-Y503 HydrophobicContact CG-CE1 3.87Å; V473-Y503 HydrophobicContact CB-CD1 4.35Å; V473-Y503 HydrophobicContact CB-CE1 3.63Å; V473-Y503 HydrophobicContact CG1-CD1 3.8Å; V473-Y503 HydrophobicContact CG1-CD2 4.34Å; V473-Y503 HydrophobicContact CG1-CE1 3.52Å; V473-Y503 HydrophobicContact CG1-CE2 4.13Å; V473-Y503 HydrophobicContact CG1-CG 4.22Å; Q474-Y503 HydrophobicContact CG-CD1 4.02Å; Q474-Y503 HydrophobicContact CG-CE1 3.96Å; L477-Y503 HydrophobicContact CD1-CD1 3.99Å; L477-Y503 HydrophobicContact CD1-CG 4.1Å; F495-Y503 HydrophobicContact CD1-CD2 4.11Å; F495-Y503 HydrophobicContact CD1-CG 4.3Å; F495-Y503 HydrophobicContact CE1-CD2 4.39Å; V500-Y503 HydrophobicContact CB-CD2 3.63Å; V500-Y503 HydrophobicContact CB-CE2 3.77Å; V500-Y503 HydrophobicContact CB-CG 4.07Å; V500-Y503 HydrophobicContact CG1-CD2 4.45Å; V500-Y503 HydrophobicContact CG1-CE2 4.42Å; V500-Y503 HydrophobicContact CG2-CD2 3.85Å; V500-Y503 HydrophobicContact CG2-CE2 3.51Å; V500-Y503 PolarHBondContact O-N 2.95Å; Y503-T505 VanDerWaalsContact C-N 3.32Å; Y503-T505 PolarHBondContact O-N 2.83Å; Y503-I506 PolarHBondContact O-N 3.12Å; Y503-A507 WeakPolarHBondContact O-CB 3.42Å; Y503-A507 PolarHBondContact O-N 3.43Å
504	S	89.5	Confident	88.4	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.007	16%	0.158	C	C	.	.	H	α-helix	trans	-60.7	-41.7	-178.5	-67	0	0	0	0	111.8	A496 S498 V500 G501 S502 A507 L508	A496-S504 PolarHBondContact O-OG 3.16Å; S498-S504 PolarHBondContact O-OG 3.29Å; V500-S504 PolarHBondContact O-N 2.92Å; V500-S504 PolarHBondContact O-OG 2.58Å; G501-S504 PolarHBondContact O-N 3Å; S502-S504 PolarHBondContact O-N 3.21Å; S504-A507 PolarHBondContact O-N 3.33Å; S504-L508 WeakPolarHBondContact O-CB 3.38Å; S504-L508 WeakPolarHBondContact O-CD1 3.46Å; S504-L508 VanDerWaalsContact O-CG 3.24Å; S504-L508 WeakPolarHBondContact O-CG 3.23Å; S504-L508 PolarHBondContact O-N 2.57Å
505	T	85.3	Confident	87.9	Confident	29 Å²	29	30.5 Å²	30.5	18%	0.178	16%	0.159	C	C	.	.	H	α-helix	trans	-71	-41.9	179.2	-56.3	0	0	0	0	112.1	G501 S502 Y503 A507 T509 V542	G501-T505 WeakPolarHBondContact O-CB 3.48Å; G501-T505 PolarHBondContact O-N 2.94Å; G501-T505 PolarHBondContact O-OG1 3.48Å; S502-T505 PolarHBondContact O-N 3.26Å; Y503-T505 VanDerWaalsContact C-N 3.32Å; Y503-T505 PolarHBondContact O-N 2.83Å; T505-A507 VanDerWaalsContact C-N 3.34Å; T505-T509 WeakPolarHBondContact O-CB 3.4Å; T505-T509 WeakPolarHBondContact O-CG2 3.45Å; T505-T509 PolarHBondContact O-N 3.27Å; T505-T509 PolarHBondContact O-OG1 2.98Å; T505-V542 WeakPolarHBondContact OG1-CG2 3.47Å
506	I	86.5	Confident	87.4	Confident	20 Å²	20	32.6 Å²	32.6	10%	0.103	17%	0.173	C	C	.	.	H	α-helix	trans	-63.4	-43.2	174.4	-62.5	163.3	0	0	0	110	Q474 L477 L478 S502 Y503 T509 A510	Q474-I506 HydrophobicContact CB-CD1 3.95Å; Q474-I506 HydrophobicContact CG-CD1 3.88Å; L477-I506 HydrophobicContact CB-CB 4.4Å; L477-I506 HydrophobicContact CB-CG2 3.64Å; L478-I506 HydrophobicContact CD2-CG1 4.42Å; L478-I506 HydrophobicContact CD2-CG2 4Å; L478-I506 HydrophobicContact CG-CD1 4.32Å; L478-I506 HydrophobicContact CG-CG2 4.13Å; S502-I506 VanDerWaalsContact O-CG1 3.3Å; S502-I506 WeakPolarHBondContact O-CG1 3.37Å; S502-I506 PolarHBondContact O-N 3.18Å; Y503-I506 PolarHBondContact O-N 3.12Å; I506-T509 PolarHBondContact O-OG1 2.62Å; I506-A510 VanDerWaalsContact O-CB 3.23Å; I506-A510 WeakPolarHBondContact O-CB 3.34Å; I506-A510 PolarHBondContact O-N 3.33Å
507	A	92.4	Very high	87.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.2	-43.3	-179.6	0	0	0	0	0	113	L492 F495 A496 Y503 S504 T505 A510 L511	L492-A507 HydrophobicContact CD2-CB 4.42Å; L492-A507 WeakPolarHBondContact O-CB 3.37Å; F495-A507 HydrophobicContact CB-CB 4.16Å; A496-A507 HydrophobicContact CB-CB 4.18Å; Y503-A507 WeakPolarHBondContact O-CB 3.42Å; Y503-A507 PolarHBondContact O-N 3.43Å; S504-A507 PolarHBondContact O-N 3.33Å; T505-A507 VanDerWaalsContact C-N 3.34Å; A507-A510 WeakPolarHBondContact O-CB 3.44Å; A507-A510 PolarHBondContact O-N 3.47Å; A507-L511 WeakPolarHBondContact O-CG 3.28Å; A507-L511 PolarHBondContact O-N 3.26Å
508	L	90.4	Very high	87.1	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67.4	-46.1	176.8	-71.3	166.5	0	0	0	111.9	A496 S504 A510 L511 E512 V527 I530 V542 A545 A546 V549	A496-L508 HydrophobicContact CB-CD2 4.04Å; A496-L508 HydrophobicContact CB-CG 4.11Å; S504-L508 WeakPolarHBondContact O-CB 3.38Å; S504-L508 WeakPolarHBondContact O-CD1 3.46Å; S504-L508 VanDerWaalsContact O-CG 3.24Å; S504-L508 WeakPolarHBondContact O-CG 3.23Å; S504-L508 PolarHBondContact O-N 2.57Å; L508-A510 PolarHBondContact O-N 3.43Å; L508-L511 PolarHBondContact O-N 2.96Å; L508-L511 VanDerWaalsContact O-N 3.14Å; L508-E512 PolarHBondContact O-N 3.04Å; L508-V527 HydrophobicContact CD2-CG1 4.23Å; L508-V527 HydrophobicContact CD2-CG2 4Å; L508-I530 HydrophobicContact CD1-CG2 4.4Å; L508-I530 HydrophobicContact CD2-CD1 4.28Å; L508-V542 HydrophobicContact CD1-CG1 3.83Å; L508-V542 WeakPolarHBondContact CD1-O 3.29Å; L508-A545 HydrophobicContact CB-CB 3.89Å; L508-A545 HydrophobicContact CD1-CB 4.11Å; L508-A546 HydrophobicContact CD1-CB 4.13Å; L508-A546 HydrophobicContact CD2-CB 4.35Å; L508-V549 VanDerWaalsContact O-CG2 3.28Å; L508-V549 WeakPolarHBondContact O-CG2 3.43Å
509	T	86.1	Confident	87.1	Confident	5 Å²	5	37.6 Å²	37.6	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-70.5	-13.2	175.2	63.1	0	0	0	0	113.3	K481 T505 I506 A545	K481-T509 VanDerWaalsContact CE-O 3.26Å; K481-T509 WeakPolarHBondContact CE-O 3.47Å; K481-T509 PolarHBondContact NZ-OG1 2.96Å; T505-T509 WeakPolarHBondContact O-CB 3.4Å; T505-T509 WeakPolarHBondContact O-CG2 3.45Å; T505-T509 PolarHBondContact O-N 3.27Å; T505-T509 PolarHBondContact O-OG1 2.98Å; I506-T509 PolarHBondContact O-OG1 2.62Å; T509-A545 HydrophobicContact CG2-CB 4.49Å
510	A	88.2	Confident	87.4	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-79.1	-47	165.6	0	0	0	0	0	111.6	K481 L492 I506 A507 L508 E512 R513 Y514	K481-A510 HydrophobicContact CB-CB 3.73Å; K481-A510 HydrophobicContact CD-CB 4.26Å; K481-A510 HydrophobicContact CG-CB 3.89Å; L492-A510 HydrophobicContact CD1-CB 3.82Å; L492-A510 HydrophobicContact CD2-CB 3.97Å; I506-A510 VanDerWaalsContact O-CB 3.23Å; I506-A510 WeakPolarHBondContact O-CB 3.34Å; I506-A510 PolarHBondContact O-N 3.33Å; A507-A510 WeakPolarHBondContact O-CB 3.44Å; A507-A510 PolarHBondContact O-N 3.47Å; L508-A510 PolarHBondContact O-N 3.43Å; A510-E512 PolarHBondContact O-N 3.46Å; A510-R513 WeakPolarHBondContact O-CB 3.39Å; A510-R513 PolarHBondContact O-N 3.48Å; A510-Y514 WeakPolarHBondContact O-CD2 3.41Å; A510-Y514 WeakPolarHBondContact O-CE2 3.04Å
511	L	90.8	Very high	87.7	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-58.9	-34.6	176.1	-72.5	168.7	0	0	0	112.3	I489 L492 A507 L508 R513 Y514 V523	I489-L511 HydrophobicContact CG2-CD2 4.07Å; L492-L511 HydrophobicContact CB-CD1 4.38Å; L492-L511 HydrophobicContact CB-CD2 3.98Å; L492-L511 HydrophobicContact CB-CG 3.98Å; L492-L511 HydrophobicContact CD1-CD2 4.36Å; A507-L511 WeakPolarHBondContact O-CG 3.28Å; A507-L511 PolarHBondContact O-N 3.26Å; L508-L511 PolarHBondContact O-N 2.96Å; L508-L511 VanDerWaalsContact O-N 3.14Å; L511-R513 PolarHBondContact O-N 2.96Å; L511-Y514 PolarHBondContact O-N 3.42Å; L511-V523 HydrophobicContact CD1-CG1 4.16Å; L511-V523 HydrophobicContact CD2-CG1 4.17Å
512	E	85.7	Confident	88.3	Confident	46 Å²	46	39.7 Å²	39.7	22%	0.215	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.4	174.3	-163	-177.7	-177.7	0	0	113.7	L508 A510 V549	L508-E512 PolarHBondContact O-N 3.04Å; A510-E512 PolarHBondContact O-N 3.46Å; E512-V549 HydrophobicContact CB-CG2 3.87Å; E512-V549 HydrophobicContact CG-CG2 4.41Å
513	R	84.4	Confident	88.8	Confident	38 Å²	38	38.2 Å²	38.2	14%	0.143	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-10.8	-178	-63.7	-170.2	70.1	-168.2	9.8	115	K481 L484 A510 L511 D733	K481-R513 PolarHBondContact O-NH1 2.96Å; L484-R513 HydrophobicContact CD1-CB 4.32Å; L484-R513 HydrophobicContact CD2-CB 3.68Å; A510-R513 WeakPolarHBondContact O-CB 3.39Å; A510-R513 PolarHBondContact O-N 3.48Å; L511-R513 PolarHBondContact O-N 2.96Å; R513-D733 IonicContact CZ-OD1 3.67Å; R513-D733 PolarHBondContact NH1-O 3.29Å; R513-D733 PolarHBondContact NH2-O 3.34Å; R513-D733 IonicContact NH2-OD1 2.66Å; R513-D733 PolarHBondContact NH2-OD1 3.22Å
514	Y	87.4	Confident	89	Confident	15 Å²	15	38.8 Å²	38.8	6%	0.059	22%	0.215	C	C	.	.	S	Bend	trans	-79.1	151.9	-177.9	-74.6	-98.8	0	0	0	111.3	L484 L485 I489 L492 A510 L511 V516 L518	L484-Y514 WeakPolarHBondContact CA-OH 3.35Å; L484-Y514 HydrophobicContact CB-CE1 4.29Å; L484-Y514 HydrophobicContact CD2-CD2 4.25Å; L484-Y514 HydrophobicContact CD2-CE2 3.89Å; L485-Y514 PolarHBondContact N-OH 2.9Å; L485-Y514 WeakPolarHBondContact O-CE1 3.38Å; L485-Y514 PolarHBondContact O-OH 3.44Å; I489-Y514 HydrophobicContact CD1-CD1 3.7Å; I489-Y514 HydrophobicContact CD1-CE1 4Å; I489-Y514 HydrophobicContact CD1-CG 4.27Å; I489-Y514 HydrophobicContact CG1-CD1 3.86Å; I489-Y514 HydrophobicContact CG1-CE1 3.72Å; I489-Y514 HydrophobicContact CG1-CG 4.33Å; L492-Y514 HydrophobicContact CD1-CE2 3.61Å; A510-Y514 WeakPolarHBondContact O-CD2 3.41Å; A510-Y514 WeakPolarHBondContact O-CE2 3.04Å; L511-Y514 PolarHBondContact O-N 3.42Å; Y514-V516 PolarHBondContact O-N 3.37Å; Y514-L518 HydrophobicContact CD1-CD1 4.08Å
515	D	84.7	Confident	89.3	Confident	102 Å²	102	44.8 Å²	44.8	55%	0.545	24%	0.243	S	C	.	.			trans	-59.5	139.2	171.9	-175.2	-85.1	0	0	0	110.6	S517 L518	D515-S517 PolarHBondContact O-N 2.98Å; D515-S517 VanDerWaalsContact OD1-CB 3.22Å; D515-S517 WeakPolarHBondContact OD1-CB 3.45Å; D515-S517 PolarHBondContact OD1-N 2.92Å; D515-S517 PolarHBondContact OD1-OG 3.05Å; D515-L518 WeakPolarHBondContact O-CB 3.45Å; D515-L518 PolarHBondContact O-N 2.88Å
516	V	86.1	Confident	89.7	Confident	66 Å²	66	43.9 Å²	43.9	40%	0.4	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-59	-25.2	-174.5	-179.1	0	0	0	0	112.7	Y514 L518 I519 S553 N554	Y514-V516 PolarHBondContact O-N 3.37Å; V516-L518 PolarHBondContact O-N 3.29Å; V516-I519 PolarHBondContact O-N 3Å; V516-S553 WeakPolarHBondContact CG1-O 3.05Å; V516-N554 HydrophobicContact CG1-CB 3.72Å
517	S	88.3	Confident	90.1	Very high	102 Å²	102	43 Å²	43	71%	0.713	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-67.8	-19.5	174.1	65.1	0	0	0	0	114.4	D515	D515-S517 PolarHBondContact O-N 2.98Å; D515-S517 VanDerWaalsContact OD1-CB 3.22Å; D515-S517 WeakPolarHBondContact OD1-CB 3.45Å; D515-S517 PolarHBondContact OD1-N 2.92Å; D515-S517 PolarHBondContact OD1-OG 3.05Å
518	L	90.5	Very high	90.2	Very high	62 Å²	62	44 Å²	44	33%	0.325	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-91.5	-11.2	177.7	-57.5	176.7	0	0	0	113.1	P486 I489 Y514 D515 V516 T520	P486-L518 HydrophobicContact CG-CD1 4.29Å; I489-L518 HydrophobicContact CD1-CB 3.69Å; I489-L518 HydrophobicContact CD1-CD1 4.41Å; Y514-L518 HydrophobicContact CD1-CD1 4.08Å; D515-L518 WeakPolarHBondContact O-CB 3.45Å; D515-L518 PolarHBondContact O-N 2.88Å; V516-L518 PolarHBondContact O-N 3.29Å; L518-T520 WeakPolarHBondContact O-CG2 3.37Å; L518-T520 PolarHBondContact O-N 2.7Å; L518-T520 VanDerWaalsContact O-N 3.08Å
519	I	90.6	Very high	90.4	Very high	15 Å²	15	45.5 Å²	45.5	8%	0.077	24%	0.244	C	C	.	.			trans	-82.6	88.2	-179.6	-54.3	-65.9	0	0	0	109.9	V516 V523 K524	V516-I519 PolarHBondContact O-N 3Å; I519-V523 HydrophobicContact CG2-CB 4.22Å; I519-V523 HydrophobicContact CG2-CG1 4.09Å; I519-K524 HydrophobicContact CG2-CG 3.88Å
520	T	91.5	Very high	90.9	Very high	58 Å²	58	45.3 Å²	45.3	36%	0.356	24%	0.243	S	C	.	.			trans	-69.8	163.2	-174.8	83.2	0	0	0	0	112.9	L518 E522 V523 K524	L518-T520 WeakPolarHBondContact O-CG2 3.37Å; L518-T520 PolarHBondContact O-N 2.7Å; L518-T520 VanDerWaalsContact O-N 3.08Å; T520-E522 WeakPolarHBondContact CB-OE2 3.24Å; T520-E522 PolarHBondContact O-N 3.41Å; T520-E522 PolarHBondContact OG1-N 2.86Å; T520-E522 PolarHBondContact OG1-OE2 2.97Å; T520-V523 WeakPolarHBondContact O-CB 3.34Å; T520-V523 PolarHBondContact O-N 3.5Å; T520-V523 VanDerWaalsContact O-N 3.13Å; T520-K524 PolarHBondContact O-N 2.89Å
521	P	91.8	Very high	91.2	Very high	97 Å²	97	45.3 Å²	45.3	63%	0.63	24%	0.243	S	C	*	.	H	α-helix	trans	-56.2	-31.3	176.2	-26.1	36.5	0	0	0	114	K524 Q525	P521-K524 PolarHBondContact O-N 3.31Å; P521-Q525 WeakPolarHBondContact O-CB 3.29Å; P521-Q525 PolarHBondContact O-N 3.07Å
522	E	92.2	Very high	91.4	Very high	117 Å²	117	47.6 Å²	47.6	55%	0.547	25%	0.253	S	S	.	.	H	α-helix	trans	-70.1	-39.5	178.3	-57.9	69.4	-148.3	0	0	111.5	T520 T526	T520-E522 WeakPolarHBondContact CB-OE2 3.24Å; T520-E522 PolarHBondContact O-N 3.41Å; T520-E522 PolarHBondContact OG1-N 2.86Å; T520-E522 PolarHBondContact OG1-OE2 2.97Å; E522-T526 WeakPolarHBondContact O-CB 3.42Å; E522-T526 PolarHBondContact O-N 2.89Å; E522-T526 VanDerWaalsContact O-N 3.07Å; E522-T526 PolarHBondContact O-OG1 3.17Å
523	V	93.8	Very high	91.7	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.024	26%	0.256	C	S	.	.	H	α-helix	trans	-61.7	-52.3	170.9	-174.7	0	0	0	0	108.9	I489 L511 I519 T520 Q525 T526 V527	I489-V523 HydrophobicContact CG2-CG2 3.58Å; L511-V523 HydrophobicContact CD1-CG1 4.16Å; L511-V523 HydrophobicContact CD2-CG1 4.17Å; I519-V523 HydrophobicContact CG2-CB 4.22Å; I519-V523 HydrophobicContact CG2-CG1 4.09Å; T520-V523 WeakPolarHBondContact O-CB 3.34Å; T520-V523 PolarHBondContact O-N 3.5Å; T520-V523 VanDerWaalsContact O-N 3.13Å; V523-Q525 PolarHBondContact O-N 2.68Å; V523-T526 WeakPolarHBondContact O-CA 3.24Å; V523-T526 WeakPolarHBondContact O-CB 3.43Å; V523-T526 PolarHBondContact O-N 3.37Å; V523-V527 HydrophobicContact CG1-CG2 4.26Å; V523-V527 WeakPolarHBondContact O-CG2 3.36Å; V523-V527 PolarHBondContact O-N 3.29Å
524	K	93.6	Very high	92	Very high	36 Å²	36	51.7 Å²	51.7	16%	0.157	28%	0.277	C	S	.	.	H	α-helix	trans	-57.4	-46.1	179.2	-68.4	-166.6	171.5	-164.9	0	112.7	I519 T520 P521 T526 V527 N528 S553 N554	I519-K524 HydrophobicContact CG2-CG 3.88Å; T520-K524 PolarHBondContact O-N 2.89Å; P521-K524 PolarHBondContact O-N 3.31Å; K524-T526 PolarHBondContact O-N 3.39Å; K524-V527 PolarHBondContact O-N 3.28Å; K524-N528 WeakPolarHBondContact O-CB 3.39Å; K524-N528 PolarHBondContact O-N 3.29Å; K524-N528 PolarHBondContact O-ND2 3.11Å; K524-S553 WeakPolarHBondContact CE-O 3.41Å; K524-S553 PolarHBondContact NZ-O 3.43Å; K524-N554 PolarHBondContact NZ-O 3.37Å
525	Q	94.3	Very high	92	Very high	127 Å²	127	58.9 Å²	58.9	59%	0.593	30%	0.304	S	S	*	.	H	α-helix	trans	-59.1	-39.1	176.9	-164.7	-163.4	39.2	0	0	111	P521 V523 R529	P521-Q525 WeakPolarHBondContact O-CB 3.29Å; P521-Q525 PolarHBondContact O-N 3.07Å; V523-Q525 PolarHBondContact O-N 2.68Å; Q525-R529 WeakPolarHBondContact O-CG 3.46Å; Q525-R529 PolarHBondContact O-N 2.99Å
526	T	95	Very high	92.2	Very high	10 Å²	10	57.4 Å²	57.4	6%	0.061	29%	0.291	C	S	.	.	H	α-helix	trans	-67.9	-46.9	178.4	-57.3	0	0	0	0	112.2	T493 E497 E522 V523 K524 N528 R529 I530	T493-T526 HydrophobicContact CG2-CG2 3.71Å; E497-T526 HydrophobicContact CG-CG2 3.68Å; E522-T526 WeakPolarHBondContact O-CB 3.42Å; E522-T526 PolarHBondContact O-N 2.89Å; E522-T526 VanDerWaalsContact O-N 3.07Å; E522-T526 PolarHBondContact O-OG1 3.17Å; V523-T526 WeakPolarHBondContact O-CA 3.24Å; V523-T526 WeakPolarHBondContact O-CB 3.43Å; V523-T526 PolarHBondContact O-N 3.37Å; K524-T526 PolarHBondContact O-N 3.39Å; T526-N528 VanDerWaalsContact C-N 3.33Å; T526-N528 PolarHBondContact O-N 2.94Å; T526-R529 WeakPolarHBondContact O-CB 3.4Å; T526-R529 PolarHBondContact O-N 2.95Å; T526-R529 VanDerWaalsContact O-N 3.13Å; T526-R529 PolarHBondContact OG1-NH1 3.12Å; T526-R529 PolarHBondContact OG1-NH2 3.13Å; T526-I530 HydrophobicContact CG2-CD1 4.24Å; T526-I530 WeakPolarHBondContact O-CG1 3.3Å; T526-I530 PolarHBondContact O-N 3.13Å; T526-I530 VanDerWaalsContact O-N 3.12Å
527	V	94.6	Very high	92.3	Very high	2 Å²	2	61 Å²	61	1%	0.012	31%	0.307	C	S	.	.	H	α-helix	trans	-63.8	-38.4	177	-176.4	0	0	0	0	111.5	L508 V523 K524 I530 Y531 A546 V549 I550	L508-V527 HydrophobicContact CD2-CG1 4.23Å; L508-V527 HydrophobicContact CD2-CG2 4Å; V523-V527 HydrophobicContact CG1-CG2 4.26Å; V523-V527 WeakPolarHBondContact O-CG2 3.36Å; V523-V527 PolarHBondContact O-N 3.29Å; K524-V527 PolarHBondContact O-N 3.28Å; V527-I530 PolarHBondContact O-N 2.94Å; V527-Y531 PolarHBondContact O-N 3.06Å; V527-A546 HydrophobicContact CG1-CB 3.65Å; V527-A546 WeakPolarHBondContact CG1-O 3.19Å; V527-V549 HydrophobicContact CG1-CB 4.04Å; V527-V549 HydrophobicContact CG1-CG1 4.1Å; V527-V549 HydrophobicContact CG2-CG1 4Å; V527-I550 HydrophobicContact CB-CG1 4.34Å; V527-I550 HydrophobicContact CG1-CD1 4.03Å; V527-I550 HydrophobicContact CG1-CG1 3.69Å
528	N	95	Very high	92.2	Very high	19 Å²	19	56.9 Å²	56.9	10%	0.102	28%	0.276	C	S	.	.	H	α-helix	trans	-62.1	-41.8	171.9	-82.7	-93.5	0	0	0	112.1	K524 T526 I530 Y531 H532 E559	K524-N528 WeakPolarHBondContact O-CB 3.39Å; K524-N528 PolarHBondContact O-N 3.29Å; K524-N528 PolarHBondContact O-ND2 3.11Å; T526-N528 VanDerWaalsContact C-N 3.33Å; T526-N528 PolarHBondContact O-N 2.94Å; N528-I530 VanDerWaalsContact C-N 3.3Å; N528-I530 PolarHBondContact O-N 3.4Å; N528-Y531 PolarHBondContact O-N 3.49Å; N528-H532 WeakPolarHBondContact O-CB 3.26Å; N528-H532 PolarHBondContact O-CD2 3.14Å; N528-H532 PolarHBondContact O-N 3.46Å; N528-E559 PolarHBondContact ND2-OE1 3.35Å
529	R	95	Very high	91.8	Very high	33 Å²	33	56.7 Å²	56.7	13%	0.125	27%	0.273	C	S	.	.	H	α-helix	trans	-60.6	-37.6	175.9	-74.9	-169.7	-51.5	-90.7	7.9	112.7	E497 Q525 T526 Q533 N534 R535	E497-R529 VanDerWaalsContact CD-NH2 3.27Å; E497-R529 IonicContact OE1-CZ 3.95Å; E497-R529 IonicContact OE1-NE 3.76Å; E497-R529 PolarHBondContact OE1-NE 3.4Å; E497-R529 IonicContact OE1-NH2 2.71Å; E497-R529 PolarHBondContact OE1-NH2 3.32Å; E497-R529 IonicContact OE2-CZ 3.8Å; E497-R529 IonicContact OE2-NE 3.91Å; E497-R529 IonicContact OE2-NH2 3.1Å; E497-R529 PolarHBondContact OE2-NH2 2.97Å; Q525-R529 WeakPolarHBondContact O-CG 3.46Å; Q525-R529 PolarHBondContact O-N 2.99Å; T526-R529 WeakPolarHBondContact O-CB 3.4Å; T526-R529 PolarHBondContact O-N 2.95Å; T526-R529 VanDerWaalsContact O-N 3.13Å; T526-R529 PolarHBondContact OG1-NH1 3.12Å; T526-R529 PolarHBondContact OG1-NH2 3.13Å; R529-Q533 WeakPolarHBondContact O-CA 3.22Å; R529-Q533 PolarHBondContact O-N 2.83Å; R529-N534 PolarHBondContact O-N 2.81Å; R529-N534 VanDerWaalsContact O-N 3.13Å; R529-R535 VanDerWaalsContact NE-NH1 3.15Å
530	I	94.8	Very high	91.5	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-67.3	-52.9	177.6	-65.5	159	0	0	0	109.8	A496 E497 L508 T526 V527 N528 H532 Q533 Y538 V542 A546	A496-I530 HydrophobicContact CB-CD1 3.84Å; A496-I530 WeakPolarHBondContact O-CD1 3.49Å; E497-I530 HydrophobicContact CG-CD1 4.09Å; E497-I530 HydrophobicContact CG-CG1 4.01Å; L508-I530 HydrophobicContact CD1-CG2 4.4Å; L508-I530 HydrophobicContact CD2-CD1 4.28Å; T526-I530 HydrophobicContact CG2-CD1 4.24Å; T526-I530 WeakPolarHBondContact O-CG1 3.3Å; T526-I530 PolarHBondContact O-N 3.13Å; T526-I530 VanDerWaalsContact O-N 3.12Å; V527-I530 PolarHBondContact O-N 2.94Å; N528-I530 VanDerWaalsContact C-N 3.3Å; N528-I530 PolarHBondContact O-N 3.4Å; I530-H532 PolarHBondContact O-N 3.47Å; I530-Q533 PolarHBondContact O-N 3.37Å; I530-Y538 HydrophobicContact CB-CE1 4.39Å; I530-Y538 HydrophobicContact CB-CE2 4.49Å; I530-Y538 HydrophobicContact CG1-CE1 3.92Å; I530-Y538 HydrophobicContact CG1-CE2 4.41Å; I530-Y538 HydrophobicContact CG2-CD1 3.91Å; I530-Y538 HydrophobicContact CG2-CD2 4.47Å; I530-Y538 HydrophobicContact CG2-CE1 4.04Å; I530-Y538 HydrophobicContact CG2-CG 4.13Å; I530-V542 HydrophobicContact CG2-CG1 3.76Å; I530-A546 HydrophobicContact CB-CB 4.22Å; I530-A546 HydrophobicContact CG2-CB 3.88Å
531	Y	95.3	Very high	91	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.2	-47.8	180	179.8	-92.1	0	0	0	112.8	V527 N528 Q533 R543 A547 L563 S566 L570 M574 M578	V527-Y531 PolarHBondContact O-N 3.06Å; N528-Y531 PolarHBondContact O-N 3.49Å; Y531-Q533 VanDerWaalsContact C-N 3.33Å; Y531-R543 WeakPolarHBondContact CD2-O 3.36Å; Y531-R543 PolarHBondContact O-NE 3.42Å; Y531-R543 PolarHBondContact O-NH2 3.04Å; Y531-A547 HydrophobicContact CD2-CB 3.78Å; Y531-A547 HydrophobicContact CE2-CB 3.74Å; Y531-L563 HydrophobicContact CD1-CD2 3.55Å; Y531-L563 HydrophobicContact CD2-CD2 4.22Å; Y531-L563 HydrophobicContact CE1-CD2 3.34Å; Y531-L563 HydrophobicContact CE2-CD2 4.03Å; Y531-L563 HydrophobicContact CG-CD2 4Å; Y531-S566 WeakPolarHBondContact CE1-OG 3.33Å; Y531-S566 PolarHBondContact OH-OG 3.4Å; Y531-L570 WeakPolarHBondContact OH-CD1 3.28Å; Y531-M574 HydrophobicContact CD2-CE 4.04Å; Y531-M574 HydrophobicContact CE2-CE 3.47Å; Y531-M574 VanDerWaalsContact CE2-CE 3.47Å; Y531-M578 HydrophobicContact CE2-CE 4.02Å; Y531-M578 HydrophobicContact CE2-CG 4.36Å; Y531-M578 HydrophobicContact CE2-SD 3.78Å; Y531-M578 WeakPolarHBondContact OH-CG 3.29Å
532	H	94.7	Very high	90.8	Very high	50 Å²	50	50 Å²	50	23%	0.231	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	2.5	-178.9	-67.6	-64	0	0	0	114.3	N528 I530 N534	N528-H532 WeakPolarHBondContact O-CB 3.26Å; N528-H532 PolarHBondContact O-CD2 3.14Å; N528-H532 PolarHBondContact O-N 3.46Å; I530-H532 PolarHBondContact O-N 3.47Å; H532-N534 PolarHBondContact O-N 2.99Å; H532-N534 VanDerWaalsContact O-N 3.16Å; H532-N534 PolarHBondContact O-ND2 3.19Å
533	Q	91.6	Very high	90.8	Very high	60 Å²	60	45 Å²	45	28%	0.28	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	31.7	174.7	-51.7	-173.4	-89.8	0	0	114.5	R529 I530 Y531 R535 R536 Y538	R529-Q533 WeakPolarHBondContact O-CA 3.22Å; R529-Q533 PolarHBondContact O-N 2.83Å; I530-Q533 PolarHBondContact O-N 3.37Å; Y531-Q533 VanDerWaalsContact C-N 3.33Å; Q533-R535 PolarHBondContact O-N 3.38Å; Q533-R536 WeakPolarHBondContact CB-O 3.4Å; Q533-Y538 HydrophobicContact CG-CD2 4.45Å
534	N	90.6	Very high	90.5	Very high	110 Å²	110	44.8 Å²	44.8	59%	0.588	20%	0.204	S	C	*	.	S	Bend	trans	-69.1	-1.4	-168.3	-54.4	127.7	0	0	0	115.5	R529 H532	R529-N534 PolarHBondContact O-N 2.81Å; R529-N534 VanDerWaalsContact O-N 3.13Å; H532-N534 PolarHBondContact O-N 2.99Å; H532-N534 VanDerWaalsContact O-N 3.16Å; H532-N534 PolarHBondContact O-ND2 3.19Å
535	R	88.5	Confident	90.2	Very high	166 Å²	166	43.1 Å²	43.1	63%	0.626	20%	0.197	S	C	*	.	S	Bend	trans	-130.5	-40.6	-177.8	-74.3	178.4	168.3	174.4	-8.7	113.1	E497 R529 Q533	E497-R535 VanDerWaalsContact CD-NH1 3.27Å; E497-R535 IonicContact OE1-CZ 3.9Å; E497-R535 IonicContact OE1-NH1 2.68Å; E497-R535 PolarHBondContact OE1-NH1 3.28Å; E497-R535 IonicContact OE2-NH1 3.89Å; E497-R535 PolarHBondContact OE2-NH1 3.07Å; R529-R535 VanDerWaalsContact NE-NH1 3.15Å; Q533-R535 PolarHBondContact O-N 3.38Å
536	R	88	Confident	90.1	Very high	71 Å²	71	37 Å²	37	27%	0.268	17%	0.168	S	C	.	.	S	Bend	trans	-155.9	169.8	-178.6	66.7	170.4	-175.6	102.9	-9.8	110.8	E497 S498 Q533 Y538	E497-R536 PolarHBondContact O-NE 2.88Å; E497-R536 PolarHBondContact O-NH2 3.27Å; S498-R536 PolarHBondContact O-NH2 3.35Å; Q533-R536 WeakPolarHBondContact CB-O 3.4Å; R536-Y538 HydrophobicContact CG-CD2 4.15Å; R536-Y538 HydrophobicContact CG-CE2 3.63Å; R536-Y538 VanDerWaalsContact O-CD2 3.23Å; R536-Y538 WeakPolarHBondContact O-CD2 3.39Å
537	I	87.9	Confident	90	Very high	142 Å²	142	36.6 Å²	36.6	73%	0.728	17%	0.166	S	C	*	.			trans	-72.6	148.6	170.3	-61	176.5	0	0	0	109.8
538	Y	86.9	Confident	89.6	Confident	15 Å²	15	36.7 Å²	36.7	6%	0.059	17%	0.166	C	C	.	.			trans	-142	143	-177.4	-73.9	-88.6	0	0	0	107.8	E497 I530 Q533 R536 V542 R543	E497-Y538 WeakPolarHBondContact CG-OH 3.41Å; I530-Y538 HydrophobicContact CB-CE1 4.39Å; I530-Y538 HydrophobicContact CB-CE2 4.49Å; I530-Y538 HydrophobicContact CG1-CE1 3.92Å; I530-Y538 HydrophobicContact CG1-CE2 4.41Å; I530-Y538 HydrophobicContact CG2-CD1 3.91Å; I530-Y538 HydrophobicContact CG2-CD2 4.47Å; I530-Y538 HydrophobicContact CG2-CE1 4.04Å; I530-Y538 HydrophobicContact CG2-CG 4.13Å; Q533-Y538 HydrophobicContact CG-CD2 4.45Å; R536-Y538 HydrophobicContact CG-CD2 4.15Å; R536-Y538 HydrophobicContact CG-CE2 3.63Å; R536-Y538 VanDerWaalsContact O-CD2 3.23Å; R536-Y538 WeakPolarHBondContact O-CD2 3.39Å; Y538-V542 HydrophobicContact CD1-CG1 4.02Å; Y538-R543 WeakPolarHBondContact O-CD 3.47Å
539	E	82.6	Confident	89.4	Confident	59 Å²	59	35.9 Å²	35.9	28%	0.276	16%	0.162	S	C	.	.			trans	-60.4	156.5	177.4	-66.6	174.5	-125.6	0	0	113.3	G501 N541 V542 R543 R647	G501-E539 VanDerWaalsContact CA-OE1 3.32Å; G501-E539 WeakPolarHBondContact CA-OE1 3.5Å; E539-N541 WeakPolarHBondContact CB-OD1 3.47Å; E539-N541 PolarHBondContact O-N 2.9Å; E539-N541 PolarHBondContact OE2-ND2 2.88Å; E539-N541 PolarHBondContact OE2-OD1 2.82Å; E539-N541 VanDerWaalsContact OE2-OD1 3.11Å; E539-V542 HydrophobicContact CB-CG2 4.27Å; E539-V542 PolarHBondContact O-N 3.26Å; E539-R543 WeakPolarHBondContact O-CG 3.41Å; E539-R543 PolarHBondContact O-N 2.94Å; E539-R647 IonicContact OE2-NH2 2.65Å
540	K	84.8	Confident	89.3	Confident	20 Å²	20	34.4 Å²	34.4	9%	0.087	16%	0.157	C	C	.	.	H	α-helix	trans	-63.7	-38.8	-175.7	-52.3	-173.5	-174.6	94.4	0	112.9	A544 P571 L639 D715 E718	K540-A544 WeakPolarHBondContact O-CB 3.22Å; K540-A544 PolarHBondContact O-N 3.29Å; K540-P571 HydrophobicContact CD-CB 4.49Å; K540-L639 HydrophobicContact CB-CD2 4.35Å; K540-D715 WeakPolarHBondContact CE-OD2 3.48Å; K540-D715 IonicContact NZ-OD2 2.71Å; K540-D715 PolarHBondContact NZ-OD2 2.8Å; K540-E718 IonicContact NZ-OE1 3.56Å; K540-E718 PolarHBondContact NZ-OE1 2.79Å
541	N	80.2	Confident	89.1	Confident	6 Å²	6	35 Å²	35	3%	0.032	16%	0.16	C	C	.	.	H	α-helix	trans	-61	-48.6	173.6	53.2	-1.4	0	0	0	112.6	E539 A544 A545 Q670	E539-N541 WeakPolarHBondContact CB-OD1 3.47Å; E539-N541 PolarHBondContact O-N 2.9Å; E539-N541 PolarHBondContact OE2-ND2 2.88Å; E539-N541 PolarHBondContact OE2-OD1 2.82Å; E539-N541 VanDerWaalsContact OE2-OD1 3.11Å; N541-A544 PolarHBondContact O-N 3.3Å; N541-A545 PolarHBondContact O-N 2.86Å; N541-Q670 PolarHBondContact ND2-NE2 2.95Å
542	V	87.9	Confident	88.6	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.012	18%	0.178	C	C	.	.	H	α-helix	trans	-61.6	-44.9	178.4	173.3	0	0	0	0	110.1	T505 L508 I530 Y538 E539 A545 A546	T505-V542 WeakPolarHBondContact OG1-CG2 3.47Å; L508-V542 HydrophobicContact CD1-CG1 3.83Å; L508-V542 WeakPolarHBondContact CD1-O 3.29Å; I530-V542 HydrophobicContact CG2-CG1 3.76Å; Y538-V542 HydrophobicContact CD1-CG1 4.02Å; E539-V542 HydrophobicContact CB-CG2 4.27Å; E539-V542 PolarHBondContact O-N 3.26Å; V542-A545 PolarHBondContact O-N 3.46Å; V542-A546 PolarHBondContact O-N 3.04Å
543	R	91.7	Very high	88.3	Confident	13 Å²	13	35.4 Å²	35.4	5%	0.049	17%	0.168	C	C	.	.	H	α-helix	trans	-66.4	-38.2	176.6	-64.1	175.7	68.4	-161.2	5.1	112.3	Y531 Y538 E539 A546 A547 M574	Y531-R543 WeakPolarHBondContact CD2-O 3.36Å; Y531-R543 PolarHBondContact O-NE 3.42Å; Y531-R543 PolarHBondContact O-NH2 3.04Å; Y538-R543 WeakPolarHBondContact O-CD 3.47Å; E539-R543 WeakPolarHBondContact O-CG 3.41Å; E539-R543 PolarHBondContact O-N 2.94Å; R543-A546 WeakPolarHBondContact O-CB 3.34Å; R543-A546 PolarHBondContact O-N 2.9Å; R543-A547 PolarHBondContact O-N 3Å; R543-M574 HydrophobicContact CB-CE 3.6Å; R543-M574 HydrophobicContact CB-SD 4.36Å
544	A	88.1	Confident	88.2	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.7	-43.3	172.8	0	0	0	0	0	111.8	K540 N541 A546 A547 D548 Y577 L639	K540-A544 WeakPolarHBondContact O-CB 3.22Å; K540-A544 PolarHBondContact O-N 3.29Å; N541-A544 PolarHBondContact O-N 3.3Å; A544-A546 VanDerWaalsContact C-N 3.3Å; A544-A546 PolarHBondContact O-N 3.21Å; A544-A547 WeakPolarHBondContact O-CB 3.3Å; A544-A547 PolarHBondContact O-N 3.06Å; A544-A547 VanDerWaalsContact O-N 3.1Å; A544-D548 VanDerWaalsContact O-CG 3.3Å; A544-D548 PolarHBondContact O-N 2.69Å; A544-Y577 HydrophobicContact CB-CD1 4.28Å; A544-Y577 HydrophobicContact CB-CE1 3.78Å; A544-L639 HydrophobicContact CB-CD2 4.01Å
545	A	86.1	Confident	88.3	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64	-35.1	175.4	0	0	0	0	0	112.2	L508 T509 N541 V542 D548 V549 R648	L508-A545 HydrophobicContact CB-CB 3.89Å; L508-A545 HydrophobicContact CD1-CB 4.11Å; T509-A545 HydrophobicContact CG2-CB 4.49Å; N541-A545 PolarHBondContact O-N 2.86Å; V542-A545 PolarHBondContact O-N 3.46Å; A545-D548 PolarHBondContact O-N 3.16Å; A545-V549 WeakPolarHBondContact O-CG2 3.2Å; A545-V549 PolarHBondContact O-N 2.71Å; A545-V549 VanDerWaalsContact O-N 3.14Å; A545-R648 VanDerWaalsContact N-NH1 3.16Å
546	A	92.6	Very high	88.6	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.7	-38.4	171.7	0	0	0	0	0	112.2	L508 V527 I530 V542 R543 A544 V549 I550	L508-A546 HydrophobicContact CD1-CB 4.13Å; L508-A546 HydrophobicContact CD2-CB 4.35Å; V527-A546 HydrophobicContact CG1-CB 3.65Å; V527-A546 WeakPolarHBondContact CG1-O 3.19Å; I530-A546 HydrophobicContact CB-CB 4.22Å; I530-A546 HydrophobicContact CG2-CB 3.88Å; V542-A546 PolarHBondContact O-N 3.04Å; R543-A546 WeakPolarHBondContact O-CB 3.34Å; R543-A546 PolarHBondContact O-N 2.9Å; A544-A546 VanDerWaalsContact C-N 3.3Å; A544-A546 PolarHBondContact O-N 3.21Å; A546-V549 PolarHBondContact O-N 3.13Å; A546-I550 WeakPolarHBondContact O-CG1 3.16Å; A546-I550 PolarHBondContact O-N 2.8Å
547	A	92.6	Very high	88.9	Confident	1 Å²	1	28 Å²	28	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-64.2	-42	173.6	0	0	0	0	0	112.4	Y531 R543 A544 V549 I550 L551 M578	Y531-A547 HydrophobicContact CD2-CB 3.78Å; Y531-A547 HydrophobicContact CE2-CB 3.74Å; R543-A547 PolarHBondContact O-N 3Å; A544-A547 WeakPolarHBondContact O-CB 3.3Å; A544-A547 PolarHBondContact O-N 3.06Å; A544-A547 VanDerWaalsContact O-N 3.1Å; A547-V549 VanDerWaalsContact C-N 3.35Å; A547-V549 PolarHBondContact O-N 2.87Å; A547-I550 PolarHBondContact O-N 3.47Å; A547-L551 WeakPolarHBondContact O-CB 3.47Å; A547-L551 VanDerWaalsContact O-CG 3.27Å; A547-L551 WeakPolarHBondContact O-CG 3.45Å; A547-L551 PolarHBondContact O-N 3.36Å; A547-M578 HydrophobicContact CB-CE 3.85Å; A547-M578 HydrophobicContact CB-SD 3.53Å; A547-M578 VanDerWaalsContact CB-SD 3.53Å
548	D	87.8	Confident	89.2	Confident	4 Å²	4	26.6 Å²	26.6	2%	0.021	14%	0.139	C	C	.	.	H	α-helix	trans	-56.4	-48.7	176.1	-63.2	-42.2	0	0	0	110.8	A544 A545 I550 L551 S552 K581 R648	A544-D548 VanDerWaalsContact O-CG 3.3Å; A544-D548 PolarHBondContact O-N 2.69Å; A545-D548 PolarHBondContact O-N 3.16Å; D548-I550 PolarHBondContact O-N 3.33Å; D548-L551 PolarHBondContact O-N 3.22Å; D548-S552 WeakPolarHBondContact O-CB 3.43Å; D548-S552 PolarHBondContact O-N 3.4Å; D548-S552 PolarHBondContact O-OG 3.45Å; D548-S552 VanDerWaalsContact O-OG 3.11Å; D548-K581 WeakPolarHBondContact OD1-CE 3.33Å; D548-K581 IonicContact OD1-NZ 3.54Å; D548-K581 PolarHBondContact OD1-NZ 3.2Å; D548-R648 IonicContact OD2-CZ 2.74Å; D548-R648 IonicContact OD2-NH1 3.31Å; D548-R648 PolarHBondContact OD2-NH1 3.23Å; D548-R648 IonicContact OD2-NH2 2.85Å; D548-R648 PolarHBondContact OD2-NH2 3.24Å
549	V	89.4	Confident	89.5	Confident	2 Å²	2	26.9 Å²	26.9	1%	0.012	14%	0.141	C	C	.	.	H	α-helix	trans	-63.7	-39.1	177.6	174.6	0	0	0	0	112.9	L508 E512 V527 A545 A546 A547 S552 S553	L508-V549 VanDerWaalsContact O-CG2 3.28Å; L508-V549 WeakPolarHBondContact O-CG2 3.43Å; E512-V549 HydrophobicContact CB-CG2 3.87Å; E512-V549 HydrophobicContact CG-CG2 4.41Å; V527-V549 HydrophobicContact CG1-CB 4.04Å; V527-V549 HydrophobicContact CG1-CG1 4.1Å; V527-V549 HydrophobicContact CG2-CG1 4Å; A545-V549 WeakPolarHBondContact O-CG2 3.2Å; A545-V549 PolarHBondContact O-N 2.71Å; A545-V549 VanDerWaalsContact O-N 3.14Å; A546-V549 PolarHBondContact O-N 3.13Å; A547-V549 VanDerWaalsContact C-N 3.35Å; A547-V549 PolarHBondContact O-N 2.87Å; V549-S552 PolarHBondContact O-OG 2.86Å; V549-S553 WeakPolarHBondContact O-CB 3.38Å; V549-S553 PolarHBondContact O-N 3.1Å; V549-S553 VanDerWaalsContact O-N 3.13Å; V549-S553 PolarHBondContact O-OG 3.49Å
550	I	93.3	Very high	90.1	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-65.4	-45	175.4	-66.1	161.8	0	0	0	110.2	V527 A546 A547 D548 P555 E559 L563	V527-I550 HydrophobicContact CB-CG1 4.34Å; V527-I550 HydrophobicContact CG1-CD1 4.03Å; V527-I550 HydrophobicContact CG1-CG1 3.69Å; A546-I550 WeakPolarHBondContact O-CG1 3.16Å; A546-I550 PolarHBondContact O-N 2.8Å; A547-I550 PolarHBondContact O-N 3.47Å; D548-I550 PolarHBondContact O-N 3.33Å; I550-P555 HydrophobicContact CG2-CB 4.06Å; I550-P555 WeakPolarHBondContact O-CB 3.4Å; I550-P555 WeakPolarHBondContact O-CD 3.39Å; I550-P555 WeakPolarHBondContact O-CG 3.5Å; I550-E559 HydrophobicContact CG2-CB 4.19Å; I550-L563 HydrophobicContact CB-CD1 4.45Å; I550-L563 HydrophobicContact CD1-CD2 4.32Å; I550-L563 HydrophobicContact CG2-CD1 3.85Å
551	L	90.3	Very high	90.5	Very high	12 Å²	12	25.5 Å²	25.5	6%	0.063	14%	0.135	C	C	.	.	H	α-helix	trans	-72	-30.1	-175.1	-69.1	167.4	0	0	0	113	A547 D548 L563 M578 K581 I585 I596	A547-L551 WeakPolarHBondContact O-CB 3.47Å; A547-L551 VanDerWaalsContact O-CG 3.27Å; A547-L551 WeakPolarHBondContact O-CG 3.45Å; A547-L551 PolarHBondContact O-N 3.36Å; D548-L551 PolarHBondContact O-N 3.22Å; L551-L563 HydrophobicContact CD1-CD1 4.49Å; L551-L563 HydrophobicContact CD2-CD1 3.67Å; L551-L563 HydrophobicContact CG-CD1 3.92Å; L551-M578 HydrophobicContact CD1-CE 4.47Å; L551-K581 HydrophobicContact CD1-CG 3.94Å; L551-I585 HydrophobicContact CB-CD1 4.08Å; L551-I585 HydrophobicContact CD1-CD1 3.9Å; L551-I585 HydrophobicContact CD2-CD1 4Å; L551-I585 HydrophobicContact CG-CD1 4.21Å; L551-I596 HydrophobicContact CD2-CD1 4.47Å
552	S	85.1	Confident	91.2	Very high	55 Å²	55	28.4 Å²	28.4	39%	0.385	15%	0.15	S	C	.	.	H	α-helix	trans	-79.6	-38.8	175.4	64.3	0	0	0	0	113.2	D548 V549 N554	D548-S552 WeakPolarHBondContact O-CB 3.43Å; D548-S552 PolarHBondContact O-N 3.4Å; D548-S552 PolarHBondContact O-OG 3.45Å; D548-S552 VanDerWaalsContact O-OG 3.11Å; V549-S552 PolarHBondContact O-OG 2.86Å; S552-N554 PolarHBondContact O-N 2.85Å
553	S	87.4	Confident	91.5	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.028	15%	0.15	C	C	.	.	S	Bend	trans	-77.6	32.7	-170.8	64.8	0	0	0	0	116.2	V516 K524 V549	V516-S553 WeakPolarHBondContact CG1-O 3.05Å; K524-S553 WeakPolarHBondContact CE-O 3.41Å; K524-S553 PolarHBondContact NZ-O 3.43Å; V549-S553 WeakPolarHBondContact O-CB 3.38Å; V549-S553 PolarHBondContact O-N 3.1Å; V549-S553 VanDerWaalsContact O-N 3.13Å; V549-S553 PolarHBondContact O-OG 3.49Å
554	N	89.7	Confident	91.7	Very high	106 Å²	106	27.7 Å²	27.7	57%	0.567	15%	0.147	S	C	*	.			trans	53.4	72.6	-176.6	-178.1	38.4	0	0	0	112.2	V516 K524 S552	V516-N554 HydrophobicContact CG1-CB 3.72Å; K524-N554 PolarHBondContact NZ-O 3.37Å; S552-N554 PolarHBondContact O-N 2.85Å
555	P	93.1	Very high	91.9	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.019	16%	0.16	C	C	.	.			trans	-71.6	147.6	-173	28.8	-35.5	0	0	0	113	I550 E559 V560 A592	I550-P555 HydrophobicContact CG2-CB 4.06Å; I550-P555 WeakPolarHBondContact O-CB 3.4Å; I550-P555 WeakPolarHBondContact O-CD 3.39Å; I550-P555 WeakPolarHBondContact O-CG 3.5Å; P555-E559 HydrophobicContact CB-CB 4.34Å; P555-V560 HydrophobicContact CB-CG2 3.8Å; P555-V560 HydrophobicContact CG-CG2 3.68Å; P555-A592 HydrophobicContact CG-CB 3.95Å
556	S	94.3	Very high	92.3	Very high	55 Å²	55	30.7 Å²	30.7	39%	0.385	16%	0.164	S	C	.	.			trans	-73.7	163.1	173	69.3	0	0	0	0	112.5	I558 E559 V560	S556-I558 PolarHBondContact O-N 3.36Å; S556-E559 VanDerWaalsContact CB-OE2 3.22Å; S556-E559 WeakPolarHBondContact CB-OE2 3.27Å; S556-E559 PolarHBondContact N-OE2 2.89Å; S556-E559 PolarHBondContact O-N 3Å; S556-E559 WeakPolarHBondContact OG-CG 3.39Å; S556-E559 PolarHBondContact OG-N 3.4Å; S556-E559 PolarHBondContact OG-OE2 2.91Å; S556-V560 WeakPolarHBondContact O-CG2 3.4Å; S556-V560 PolarHBondContact O-N 2.87Å
557	Y	94.5	Very high	92.3	Very high	87 Å²	87	30.7 Å²	30.7	34%	0.341	16%	0.164	S	C	.	.	H	α-helix	trans	-56.4	-36	175.3	173.3	-93.5	0	0	0	112.8	K561 R598 A599	Y557-K561 HydrophobicContact CE1-CD 3.98Å; Y557-K561 WeakPolarHBondContact O-CB 3.46Å; Y557-K561 PolarHBondContact O-N 3.42Å; Y557-R598 HydrophobicContact CD2-CG 4.03Å; Y557-R598 HydrophobicContact CE2-CG 3.98Å; Y557-A599 HydrophobicContact CD2-CB 4.37Å; Y557-A599 HydrophobicContact CE2-CB 4.14Å
558	I	93.8	Very high	92.1	Very high	112 Å²	112	32.2 Å²	32.2	57%	0.574	18%	0.179	S	C	*	.	H	α-helix	trans	-70.8	-45.4	-179.7	-62.5	173.8	0	0	0	110.5	S556 K561 N562	S556-I558 PolarHBondContact O-N 3.36Å; I558-K561 PolarHBondContact O-N 2.83Å; I558-N562 WeakPolarHBondContact O-CB 3.3Å; I558-N562 PolarHBondContact O-N 3Å; I558-N562 PolarHBondContact O-OD1 3.38Å
559	E	94.3	Very high	92.2	Very high	21 Å²	21	38.2 Å²	38.2	10%	0.098	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-49.8	176.3	-68	165.5	110	0	0	110.7	N528 I550 P555 S556 K561 N562 L563	N528-E559 PolarHBondContact ND2-OE1 3.35Å; I550-E559 HydrophobicContact CG2-CB 4.19Å; P555-E559 HydrophobicContact CB-CB 4.34Å; S556-E559 VanDerWaalsContact CB-OE2 3.22Å; S556-E559 WeakPolarHBondContact CB-OE2 3.27Å; S556-E559 PolarHBondContact N-OE2 2.89Å; S556-E559 PolarHBondContact O-N 3Å; S556-E559 WeakPolarHBondContact OG-CG 3.39Å; S556-E559 PolarHBondContact OG-N 3.4Å; S556-E559 PolarHBondContact OG-OE2 2.91Å; E559-K561 VanDerWaalsContact C-N 3.33Å; E559-K561 PolarHBondContact O-N 3.4Å; E559-N562 PolarHBondContact O-N 3.45Å; E559-L563 WeakPolarHBondContact O-CG 3.33Å; E559-L563 PolarHBondContact O-N 2.9Å
560	V	94.9	Very high	92.3	Very high	1 Å²	1	39 Å²	39	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-59.9	-41.8	176.9	173.9	0	0	0	0	112.2	P555 S556 L563 L564 V595 I596 A599	P555-V560 HydrophobicContact CB-CG2 3.8Å; P555-V560 HydrophobicContact CG-CG2 3.68Å; S556-V560 WeakPolarHBondContact O-CG2 3.4Å; S556-V560 PolarHBondContact O-N 2.87Å; V560-L563 PolarHBondContact O-N 2.95Å; V560-L564 HydrophobicContact CG1-CD1 4.04Å; V560-L564 WeakPolarHBondContact O-CB 3.47Å; V560-L564 WeakPolarHBondContact O-CG 3.37Å; V560-L564 PolarHBondContact O-N 3.08Å; V560-V595 HydrophobicContact CB-CG1 4.14Å; V560-V595 HydrophobicContact CG2-CB 4.28Å; V560-V595 HydrophobicContact CG2-CG1 3.74Å; V560-I596 HydrophobicContact CG1-CB 4.21Å; V560-I596 HydrophobicContact CG1-CG1 3.61Å; V560-I596 HydrophobicContact CG2-CG1 4.31Å; V560-A599 HydrophobicContact CG1-CB 3.71Å
561	K	94.3	Very high	92	Very high	50 Å²	50	41.4 Å²	41.4	22%	0.217	23%	0.231	C	C	.	.	H	α-helix	trans	-66.1	-38.2	177.1	-178.9	158.1	175.9	169.3	0	111.8	Y557 I558 E559 L564 L565 D602	Y557-K561 HydrophobicContact CE1-CD 3.98Å; Y557-K561 WeakPolarHBondContact O-CB 3.46Å; Y557-K561 PolarHBondContact O-N 3.42Å; I558-K561 PolarHBondContact O-N 2.83Å; E559-K561 VanDerWaalsContact C-N 3.33Å; E559-K561 PolarHBondContact O-N 3.4Å; K561-L564 PolarHBondContact O-N 2.88Å; K561-L565 HydrophobicContact CG-CD1 3.84Å; K561-L565 HydrophobicContact CG-CG 4.26Å; K561-L565 WeakPolarHBondContact O-CB 3.44Å; K561-L565 WeakPolarHBondContact O-CG 3.41Å; K561-L565 PolarHBondContact O-N 3.36Å; K561-D602 IonicContact NZ-OD2 3.17Å; K561-D602 PolarHBondContact NZ-OD2 3.05Å
562	N	94.6	Very high	91.8	Very high	66 Å²	66	45.4 Å²	45.4	35%	0.353	25%	0.25	S	C	.	.	H	α-helix	trans	-67.9	-41.1	175.7	-68.8	-9.4	0	0	0	112	I558 E559 L565 S566	I558-N562 WeakPolarHBondContact O-CB 3.3Å; I558-N562 PolarHBondContact O-N 3Å; I558-N562 PolarHBondContact O-OD1 3.38Å; E559-N562 PolarHBondContact O-N 3.45Å; N562-L565 PolarHBondContact O-N 3.29Å; N562-S566 PolarHBondContact O-N 3.18Å
563	L	94.6	Very high	91.9	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-57.7	-50.4	171.6	-68.1	-177.2	0	0	0	110.6	Y531 I550 L551 E559 V560 L565 S566 M578	Y531-L563 HydrophobicContact CD1-CD2 3.55Å; Y531-L563 HydrophobicContact CD2-CD2 4.22Å; Y531-L563 HydrophobicContact CE1-CD2 3.34Å; Y531-L563 HydrophobicContact CE2-CD2 4.03Å; Y531-L563 HydrophobicContact CG-CD2 4Å; I550-L563 HydrophobicContact CB-CD1 4.45Å; I550-L563 HydrophobicContact CD1-CD2 4.32Å; I550-L563 HydrophobicContact CG2-CD1 3.85Å; L551-L563 HydrophobicContact CD1-CD1 4.49Å; L551-L563 HydrophobicContact CD2-CD1 3.67Å; L551-L563 HydrophobicContact CG-CD1 3.92Å; E559-L563 WeakPolarHBondContact O-CG 3.33Å; E559-L563 PolarHBondContact O-N 2.9Å; V560-L563 PolarHBondContact O-N 2.95Å; L563-L565 PolarHBondContact O-N 2.89Å; L563-S566 WeakPolarHBondContact O-CB 3.39Å; L563-S566 PolarHBondContact O-N 2.9Å; L563-S566 PolarHBondContact O-OG 3.16Å; L563-M578 HydrophobicContact CD2-CE 4.35Å
564	L	94.2	Very high	92	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.8	-49.1	177	-76.8	165.4	0	0	0	112.4	V560 K561 S566 I567 I582 A599 L600 R610 F611	V560-L564 HydrophobicContact CG1-CD1 4.04Å; V560-L564 WeakPolarHBondContact O-CB 3.47Å; V560-L564 WeakPolarHBondContact O-CG 3.37Å; V560-L564 PolarHBondContact O-N 3.08Å; K561-L564 PolarHBondContact O-N 2.88Å; L564-S566 PolarHBondContact O-N 3.29Å; L564-I567 PolarHBondContact O-N 3.13Å; L564-I582 HydrophobicContact CD2-CD1 3.6Å; L564-I582 HydrophobicContact CD2-CG2 4.25Å; L564-I582 HydrophobicContact CG-CD1 4.06Å; L564-A599 HydrophobicContact CD1-CB 3.57Å; L564-L600 HydrophobicContact CD1-CD2 3.77Å; L564-L600 HydrophobicContact CD1-CG 4.38Å; L564-L600 HydrophobicContact CD2-CD2 3.7Å; L564-L600 HydrophobicContact CG-CD2 4.41Å; L564-R610 WeakPolarHBondContact O-CD 3.44Å; L564-F611 HydrophobicContact CD2-CE2 4.17Å; L564-F611 HydrophobicContact CD2-CZ 4.06Å
565	L	94.1	Very high	92.2	Very high	50 Å²	50	38.5 Å²	38.5	26%	0.262	21%	0.208	S	C	.	.	H	α-helix	trans	-65	-19.3	-179.6	-70	173.8	0	0	0	113.5	K561 N562 L563 N569 I604 R610	K561-L565 HydrophobicContact CG-CD1 3.84Å; K561-L565 HydrophobicContact CG-CG 4.26Å; K561-L565 WeakPolarHBondContact O-CB 3.44Å; K561-L565 WeakPolarHBondContact O-CG 3.41Å; K561-L565 PolarHBondContact O-N 3.36Å; N562-L565 PolarHBondContact O-N 3.29Å; L563-L565 PolarHBondContact O-N 2.89Å; L565-N569 PolarHBondContact O-ND2 2.81Å; L565-I604 HydrophobicContact CD2-CG2 3.96Å; L565-R610 PolarHBondContact O-NH1 2.89Å
566	S	93.9	Very high	92.1	Very high	13 Å²	13	38.8 Å²	38.8	9%	0.091	21%	0.209	C	C	.	.	H	α-helix	trans	-74.5	-29.3	172.2	78.6	0	0	0	0	113.7	Y531 N562 L563 L564 G568 N569	Y531-S566 WeakPolarHBondContact CE1-OG 3.33Å; Y531-S566 PolarHBondContact OH-OG 3.4Å; N562-S566 PolarHBondContact O-N 3.18Å; L563-S566 WeakPolarHBondContact O-CB 3.39Å; L563-S566 PolarHBondContact O-N 2.9Å; L563-S566 PolarHBondContact O-OG 3.16Å; L564-S566 PolarHBondContact O-N 3.29Å; S566-G568 PolarHBondContact O-N 2.89Å; S566-N569 WeakPolarHBondContact O-CA 3.5Å; S566-N569 WeakPolarHBondContact O-CB 3.41Å; S566-N569 PolarHBondContact O-N 3.48Å
567	I	92.9	Very high	91.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	122.8	-178.8	-62.2	173.1	0	0	0	109.7	L564 M578 L579 I582 R610 K613	L564-I567 PolarHBondContact O-N 3.13Å; I567-M578 HydrophobicContact CD1-CB 3.96Å; I567-M578 HydrophobicContact CG1-CB 3.84Å; I567-L579 HydrophobicContact CD1-CB 4.47Å; I567-L579 HydrophobicContact CG2-CB 4.33Å; I567-I582 HydrophobicContact CD1-CD1 3.82Å; I567-R610 HydrophobicContact CB-CG 4.32Å; I567-R610 HydrophobicContact CG2-CG 4.36Å; I567-R610 WeakPolarHBondContact O-CG 3.38Å; I567-R610 PolarHBondContact O-NH1 3.39Å; I567-K613 HydrophobicContact CG2-CG 4.16Å
568	G	88	Confident	91.9	Very high	32 Å²	32	32 Å²	32	33%	0.33	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.2	-15.5	-168.5	0	0	0	0	0	114	S566 N575	S566-G568 PolarHBondContact O-N 2.89Å; G568-N575 WeakPolarHBondContact CA-OD1 3.1Å; G568-N575 PolarHBondContact N-OD1 3.48Å
569	N	90	Very high	91.9	Very high	130 Å²	130	26.8 Å²	26.8	70%	0.695	15%	0.147	S	C	*	.	S	Bend	trans	-117	10.6	178.5	-57.3	-55.3	0	0	0	112.7	L565 S566 N575	L565-N569 PolarHBondContact O-ND2 2.81Å; S566-N569 WeakPolarHBondContact O-CA 3.5Å; S566-N569 WeakPolarHBondContact O-CB 3.41Å; S566-N569 PolarHBondContact O-N 3.48Å; N569-N575 PolarHBondContact N-OD1 2.91Å
570	L	90.2	Very high	91.8	Very high	20 Å²	20	26 Å²	26	11%	0.105	14%	0.144	C	C	.	.	S	Bend	trans	-98.4	171.6	173.8	-49	170.1	0	0	0	109.7	Y531 M574 N575 M578	Y531-L570 WeakPolarHBondContact OH-CD1 3.28Å; L570-M574 HydrophobicContact CB-CB 3.98Å; L570-M574 HydrophobicContact CB-CG 4.21Å; L570-M574 HydrophobicContact CB-SD 4.15Å; L570-M574 HydrophobicContact CD1-CB 4.43Å; L570-M574 HydrophobicContact CD1-CE 4.21Å; L570-M574 HydrophobicContact CD1-CG 3.95Å; L570-M574 HydrophobicContact CD1-SD 4.17Å; L570-M574 HydrophobicContact CD2-CE 4.36Å; L570-M574 HydrophobicContact CD2-SD 4.2Å; L570-M574 HydrophobicContact CG-SD 4.41Å; L570-N575 VanDerWaalsContact CB-OD1 3.26Å; L570-N575 WeakPolarHBondContact CB-OD1 3.49Å; L570-N575 PolarHBondContact N-OD1 3.01Å; L570-N575 PolarHBondContact O-ND2 3.27Å; L570-M578 HydrophobicContact CD1-CB 4.27Å; L570-M578 HydrophobicContact CD1-CG 3.77Å
571	P	87.4	Confident	91.6	Very high	51 Å²	51	27 Å²	27	33%	0.331	15%	0.149	S	C	.	.			trans	-54.4	153.3	165	-26.3	36.2	0	0	0	112.2	K540 E573 M574 N575	K540-P571 HydrophobicContact CD-CB 4.49Å; P571-E573 PolarHBondContact O-N 3.25Å; P571-M574 HydrophobicContact CB-CB 4.48Å; P571-M574 PolarHBondContact O-N 3.49Å; P571-N575 PolarHBondContact O-N 2.99Å; P571-N575 PolarHBondContact O-ND2 3.2Å
572	H	87.3	Confident	91.6	Very high	97 Å²	97	24.7 Å²	24.7	45%	0.449	14%	0.139	S	C	.	.	H	α-helix	trans	-42.6	-60.7	-170.3	-167.2	90.8	0	0	0	113.1	M574 N575 G615	H572-M574 PolarHBondContact O-N 3.36Å; H572-N575 WeakPolarHBondContact O-CB 3.25Å; H572-N575 PolarHBondContact O-N 3.06Å; H572-G615 VanDerWaalsContact CD2-CA 3.5Å; H572-G615 WeakPolarHBondContact CD2-CA 3.48Å; H572-G615 WeakPolarHBondContact NE2-CA 3.34Å; H572-G615 PolarHBondContact NE2-N 2.93Å
573	E	86.9	Confident	91.5	Very high	3 Å²	3	25.1 Å²	25.1	1%	0.014	14%	0.138	C	C	.	.	H	α-helix	trans	-64.2	-38.6	-179.8	-71.2	-52.6	128.6	0	0	114.4	P571 N575 K576 Y577 G615 S616 S617 L639 Y640 S641	P571-E573 PolarHBondContact O-N 3.25Å; E573-N575 PolarHBondContact O-N 3.09Å; E573-K576 PolarHBondContact O-N 3.02Å; E573-Y577 WeakPolarHBondContact O-CB 3.36Å; E573-Y577 PolarHBondContact O-N 3.33Å; E573-G615 WeakPolarHBondContact OE1-CA 3.4Å; E573-S616 PolarHBondContact OE1-N 3.26Å; E573-S616 VanDerWaalsContact OE2-C 3.22Å; E573-S616 VanDerWaalsContact OE2-CA 3.29Å; E573-S616 WeakPolarHBondContact OE2-CA 3.49Å; E573-S616 PolarHBondContact OE2-N 3.45Å; E573-S617 WeakPolarHBondContact O-CB 3.3Å; E573-S617 PolarHBondContact O-OG 2.9Å; E573-S617 WeakPolarHBondContact OE2-CB 3.46Å; E573-S617 PolarHBondContact OE2-N 2.89Å; E573-S617 PolarHBondContact OE2-OG 2.97Å; E573-L639 HydrophobicContact CB-CD1 4.31Å; E573-Y640 WeakPolarHBondContact CB-O 3.42Å; E573-Y640 WeakPolarHBondContact CG-O 3.39Å; E573-S641 WeakPolarHBondContact CG-O 3.1Å
574	M	89.9	Confident	91.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.5	-29.5	-179.3	-163.1	-172.5	171.1	0	0	111.6	Y531 R543 L570 P571 H572 M578	Y531-M574 HydrophobicContact CD2-CE 4.04Å; Y531-M574 HydrophobicContact CE2-CE 3.47Å; Y531-M574 VanDerWaalsContact CE2-CE 3.47Å; R543-M574 HydrophobicContact CB-CE 3.6Å; R543-M574 HydrophobicContact CB-SD 4.36Å; L570-M574 HydrophobicContact CB-CB 3.98Å; L570-M574 HydrophobicContact CB-CG 4.21Å; L570-M574 HydrophobicContact CB-SD 4.15Å; L570-M574 HydrophobicContact CD1-CB 4.43Å; L570-M574 HydrophobicContact CD1-CE 4.21Å; L570-M574 HydrophobicContact CD1-CG 3.95Å; L570-M574 HydrophobicContact CD1-SD 4.17Å; L570-M574 HydrophobicContact CD2-CE 4.36Å; L570-M574 HydrophobicContact CD2-SD 4.2Å; L570-M574 HydrophobicContact CG-SD 4.41Å; P571-M574 HydrophobicContact CB-CB 4.48Å; P571-M574 PolarHBondContact O-N 3.49Å; H572-M574 PolarHBondContact O-N 3.36Å; M574-M578 HydrophobicContact CG-CG 4.47Å; M574-M578 WeakPolarHBondContact O-CB 3.45Å; M574-M578 VanDerWaalsContact O-CG 3.27Å; M574-M578 WeakPolarHBondContact O-CG 3.39Å; M574-M578 PolarHBondContact O-N 3.18Å
575	N	92.2	Very high	91.2	Very high	17 Å²	17	25.4 Å²	25.4	9%	0.091	14%	0.14	C	C	.	.	H	α-helix	trans	-62	-50.2	171.1	-65.4	-54.4	0	0	0	111.7	G568 N569 L570 P571 H572 E573 L579 K613	G568-N575 WeakPolarHBondContact CA-OD1 3.1Å; G568-N575 PolarHBondContact N-OD1 3.48Å; N569-N575 PolarHBondContact N-OD1 2.91Å; L570-N575 VanDerWaalsContact CB-OD1 3.26Å; L570-N575 WeakPolarHBondContact CB-OD1 3.49Å; L570-N575 PolarHBondContact N-OD1 3.01Å; L570-N575 PolarHBondContact O-ND2 3.27Å; P571-N575 PolarHBondContact O-N 2.99Å; P571-N575 PolarHBondContact O-ND2 3.2Å; H572-N575 WeakPolarHBondContact O-CB 3.25Å; H572-N575 PolarHBondContact O-N 3.06Å; E573-N575 PolarHBondContact O-N 3.09Å; N575-L579 VanDerWaalsContact O-CB 3.27Å; N575-L579 WeakPolarHBondContact O-CB 3.35Å; N575-L579 PolarHBondContact O-N 2.85Å; N575-K613 HydrophobicContact CB-CB 4.32Å; N575-K613 HydrophobicContact CB-CG 4.33Å
576	K	90.9	Very high	91.1	Very high	8 Å²	8	24.4 Å²	24.4	4%	0.035	14%	0.135	C	C	.	.	H	α-helix	trans	-65.9	-43.2	179	176.8	77.5	178.5	174	0	110.9	E573 M578 L579 S580 K613 G615 S617 F675 E908	E573-K576 PolarHBondContact O-N 3.02Å; K576-M578 PolarHBondContact O-N 3.04Å; K576-L579 PolarHBondContact O-N 3.19Å; K576-S580 WeakPolarHBondContact O-CB 3.49Å; K576-S580 PolarHBondContact O-N 3.18Å; K576-S580 PolarHBondContact O-OG 3.33Å; K576-K613 WeakPolarHBondContact CD-O 3.5Å; K576-G615 WeakPolarHBondContact CG-O 3.47Å; K576-S617 WeakPolarHBondContact CE-O 3.41Å; K576-S617 WeakPolarHBondContact CG-O 3.43Å; K576-F675 HydrophobicContact CG-CE1 4.41Å; K576-E908 VanDerWaalsContact NZ-CD 3.32Å; K576-E908 IonicContact NZ-OE1 2.96Å; K576-E908 PolarHBondContact NZ-OE1 3.25Å; K576-E908 IonicContact NZ-OE2 2.88Å; K576-E908 PolarHBondContact NZ-OE2 3.28Å
577	Y	91.1	Very high	91.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-55.1	-52.4	176.8	-178	-100.2	0	0	0	111.7	A544 E573 L579 S580 K581 D637 L639	A544-Y577 HydrophobicContact CB-CD1 4.28Å; A544-Y577 HydrophobicContact CB-CE1 3.78Å; E573-Y577 WeakPolarHBondContact O-CB 3.36Å; E573-Y577 PolarHBondContact O-N 3.33Å; Y577-L579 PolarHBondContact O-N 2.92Å; Y577-S580 PolarHBondContact O-N 3.03Å; Y577-K581 WeakPolarHBondContact O-CB 3.24Å; Y577-K581 PolarHBondContact O-N 3.05Å; Y577-D637 HydrophobicContact CE2-CB 4.19Å; Y577-L639 HydrophobicContact CD2-CB 3.72Å; Y577-L639 HydrophobicContact CD2-CD1 4.36Å; Y577-L639 HydrophobicContact CE2-CB 4.05Å; Y577-L639 HydrophobicContact CG-CB 4.18Å; Y577-L639 HydrophobicContact CG-CD1 4Å
578	M	94.3	Very high	90.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.3	-39.4	179.8	-72.5	-58.5	-52.7	0	0	112.6	Y531 A547 L551 L563 I567 L570 M574 K576 I582	Y531-M578 HydrophobicContact CE2-CE 4.02Å; Y531-M578 HydrophobicContact CE2-CG 4.36Å; Y531-M578 HydrophobicContact CE2-SD 3.78Å; Y531-M578 WeakPolarHBondContact OH-CG 3.29Å; A547-M578 HydrophobicContact CB-CE 3.85Å; A547-M578 HydrophobicContact CB-SD 3.53Å; A547-M578 VanDerWaalsContact CB-SD 3.53Å; L551-M578 HydrophobicContact CD1-CE 4.47Å; L563-M578 HydrophobicContact CD2-CE 4.35Å; I567-M578 HydrophobicContact CD1-CB 3.96Å; I567-M578 HydrophobicContact CG1-CB 3.84Å; L570-M578 HydrophobicContact CD1-CB 4.27Å; L570-M578 HydrophobicContact CD1-CG 3.77Å; M574-M578 HydrophobicContact CG-CG 4.47Å; M574-M578 WeakPolarHBondContact O-CB 3.45Å; M574-M578 VanDerWaalsContact O-CG 3.27Å; M574-M578 WeakPolarHBondContact O-CG 3.39Å; M574-M578 PolarHBondContact O-N 3.18Å; K576-M578 PolarHBondContact O-N 3.04Å; M578-I582 WeakPolarHBondContact O-CG1 3.48Å; M578-I582 PolarHBondContact O-N 2.84Å; M578-I582 VanDerWaalsContact O-N 3.1Å
579	L	93.7	Very high	90.8	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-61.5	-49.8	174.1	175.4	61.8	0	0	0	111.4	I567 N575 K576 Y577 I582 Q583 F611 K613	I567-L579 HydrophobicContact CD1-CB 4.47Å; I567-L579 HydrophobicContact CG2-CB 4.33Å; N575-L579 VanDerWaalsContact O-CB 3.27Å; N575-L579 WeakPolarHBondContact O-CB 3.35Å; N575-L579 PolarHBondContact O-N 2.85Å; K576-L579 PolarHBondContact O-N 3.19Å; Y577-L579 PolarHBondContact O-N 2.92Å; L579-I582 PolarHBondContact O-N 3.09Å; L579-Q583 HydrophobicContact CD1-CG 4.35Å; L579-Q583 WeakPolarHBondContact O-CB 3.33Å; L579-Q583 VanDerWaalsContact O-CG 3.29Å; L579-Q583 WeakPolarHBondContact O-CG 3.24Å; L579-Q583 PolarHBondContact O-N 3.46Å; L579-F611 HydrophobicContact CD1-CB 4.21Å; L579-F611 HydrophobicContact CD1-CD1 3.59Å; L579-F611 HydrophobicContact CD1-CD2 4.21Å; L579-F611 HydrophobicContact CD1-CE1 3.87Å; L579-F611 HydrophobicContact CD1-CE2 4.44Å; L579-F611 HydrophobicContact CD1-CG 3.76Å; L579-F611 HydrophobicContact CD1-CZ 4.27Å; L579-F611 WeakPolarHBondContact CD2-O 3.46Å; L579-K613 HydrophobicContact CD2-CB 3.97Å; L579-K613 HydrophobicContact CD2-CG 4.36Å
580	S	92	Very high	90.6	Very high	5 Å²	5	33.3 Å²	33.3	4%	0.035	16%	0.157	C	C	.	.	H	α-helix	trans	-63.5	-40.9	178.1	-72	0	0	0	0	112.3	K576 Y577 I582 Q583 D584	K576-S580 WeakPolarHBondContact O-CB 3.49Å; K576-S580 PolarHBondContact O-N 3.18Å; K576-S580 PolarHBondContact O-OG 3.33Å; Y577-S580 PolarHBondContact O-N 3.03Å; S580-I582 VanDerWaalsContact C-N 3.34Å; S580-I582 PolarHBondContact O-N 3.12Å; S580-Q583 PolarHBondContact O-N 3.38Å; S580-D584 WeakPolarHBondContact O-CB 3.13Å; S580-D584 PolarHBondContact O-N 2.98Å
581	K	91.6	Very high	90.4	Very high	23 Å²	23	38 Å²	38	10%	0.1	19%	0.189	C	C	.	.	H	α-helix	trans	-60.3	-43.3	176.2	-167	88.1	-175.7	-156.1	0	111.4	D548 L551 Y577 D584 I585 A619 D637	D548-K581 WeakPolarHBondContact OD1-CE 3.33Å; D548-K581 IonicContact OD1-NZ 3.54Å; D548-K581 PolarHBondContact OD1-NZ 3.2Å; L551-K581 HydrophobicContact CD1-CG 3.94Å; Y577-K581 WeakPolarHBondContact O-CB 3.24Å; Y577-K581 PolarHBondContact O-N 3.05Å; K581-D584 PolarHBondContact O-N 3.16Å; K581-I585 HydrophobicContact CG-CD1 4.32Å; K581-I585 WeakPolarHBondContact O-CD1 3.31Å; K581-I585 VanDerWaalsContact O-CG1 3.3Å; K581-I585 WeakPolarHBondContact O-CG1 3.46Å; K581-I585 PolarHBondContact O-N 2.93Å; K581-A619 HydrophobicContact CB-CB 4.24Å; K581-A619 HydrophobicContact CD-CB 4.24Å; K581-D637 IonicContact NZ-OD2 2.69Å; K581-D637 PolarHBondContact NZ-OD2 3.36Å
582	I	93.6	Very high	90.5	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-66.7	-41.9	176.3	-72.1	-178.6	0	0	0	111.6	L564 I567 M578 L579 S580 L586 I596	L564-I582 HydrophobicContact CD2-CD1 3.6Å; L564-I582 HydrophobicContact CD2-CG2 4.25Å; L564-I582 HydrophobicContact CG-CD1 4.06Å; I567-I582 HydrophobicContact CD1-CD1 3.82Å; M578-I582 WeakPolarHBondContact O-CG1 3.48Å; M578-I582 PolarHBondContact O-N 2.84Å; M578-I582 VanDerWaalsContact O-N 3.1Å; L579-I582 PolarHBondContact O-N 3.09Å; S580-I582 VanDerWaalsContact C-N 3.34Å; S580-I582 PolarHBondContact O-N 3.12Å; I582-L586 HydrophobicContact CG2-CD1 3.94Å; I582-L586 WeakPolarHBondContact O-CB 3.32Å; I582-L586 WeakPolarHBondContact O-CD1 3.37Å; I582-L586 VanDerWaalsContact O-CG 3.27Å; I582-L586 WeakPolarHBondContact O-CG 3.24Å; I582-L586 PolarHBondContact O-N 3.28Å; I582-L586 VanDerWaalsContact O-N 3.12Å; I582-I596 HydrophobicContact CG2-CG2 3.86Å
583	Q	92.3	Very high	90.7	Very high	74 Å²	74	31.4 Å²	31.4	35%	0.346	16%	0.155	S	C	.	.	H	α-helix	trans	-62	-42.4	175	-73.3	173	-5.5	0	0	111.8	L579 S580 L586 R587	L579-Q583 HydrophobicContact CD1-CG 4.35Å; L579-Q583 WeakPolarHBondContact O-CB 3.33Å; L579-Q583 VanDerWaalsContact O-CG 3.29Å; L579-Q583 WeakPolarHBondContact O-CG 3.24Å; L579-Q583 PolarHBondContact O-N 3.46Å; S580-Q583 PolarHBondContact O-N 3.38Å; Q583-L586 PolarHBondContact O-N 3.17Å; Q583-R587 WeakPolarHBondContact O-CB 3.11Å; Q583-R587 PolarHBondContact O-N 3.28Å; Q583-R587 VanDerWaalsContact O-N 3.08Å
584	D	92.4	Very high	91	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-65.7	-46.5	177.9	-172.1	50.8	0	0	0	112.1	S580 K581 L586 R587 F588 M590 A619 S621	S580-D584 WeakPolarHBondContact O-CB 3.13Å; S580-D584 PolarHBondContact O-N 2.98Å; K581-D584 PolarHBondContact O-N 3.16Å; D584-L586 VanDerWaalsContact C-N 3.31Å; D584-L586 PolarHBondContact O-N 2.9Å; D584-R587 PolarHBondContact O-N 2.75Å; D584-R587 IonicContact OD1-CZ 3.73Å; D584-R587 IonicContact OD1-NE 3.73Å; D584-R587 PolarHBondContact OD1-NE 3Å; D584-R587 IonicContact OD1-NH2 2.8Å; D584-R587 PolarHBondContact OD1-NH2 2.89Å; D584-F588 VanDerWaalsContact O-CB 3.29Å; D584-F588 WeakPolarHBondContact O-CB 3.38Å; D584-F588 PolarHBondContact O-N 2.96Å; D584-M590 WeakPolarHBondContact OD2-CE 3.47Å; D584-A619 HydrophobicContact CB-CB 4.36Å; D584-S621 PolarHBondContact OD1-N 2.87Å; D584-S621 WeakPolarHBondContact OD2-CB 3.26Å; D584-S621 PolarHBondContact OD2-N 3.01Å; D584-S621 PolarHBondContact OD2-OG 2.97Å
585	I	91	Very high	91.1	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-51.3	-51.8	174.1	-74.6	162.7	0	0	0	110.7	L551 K581 R587 Q589 M590 A592 S593 I596	L551-I585 HydrophobicContact CB-CD1 4.08Å; L551-I585 HydrophobicContact CD1-CD1 3.9Å; L551-I585 HydrophobicContact CD2-CD1 4Å; L551-I585 HydrophobicContact CG-CD1 4.21Å; K581-I585 HydrophobicContact CG-CD1 4.32Å; K581-I585 WeakPolarHBondContact O-CD1 3.31Å; K581-I585 VanDerWaalsContact O-CG1 3.3Å; K581-I585 WeakPolarHBondContact O-CG1 3.46Å; K581-I585 PolarHBondContact O-N 2.93Å; I585-R587 VanDerWaalsContact C-N 3.31Å; I585-R587 PolarHBondContact O-N 3.31Å; I585-Q589 WeakPolarHBondContact O-CA 3.32Å; I585-Q589 PolarHBondContact O-N 3.22Å; I585-M590 HydrophobicContact CB-SD 4.37Å; I585-M590 HydrophobicContact CG1-CB 4.4Å; I585-M590 HydrophobicContact CG1-CG 4.41Å; I585-M590 HydrophobicContact CG1-SD 3.62Å; I585-M590 HydrophobicContact CG2-CB 4.14Å; I585-M590 PolarHBondContact O-N 3.2Å; I585-M590 VanDerWaalsContact O-N 3.16Å; I585-A592 HydrophobicContact CG2-CB 4.34Å; I585-S593 PolarHBondContact O-OG 2.88Å; I585-I596 HydrophobicContact CB-CD1 4.22Å; I585-I596 HydrophobicContact CD1-CD1 4.28Å; I585-I596 HydrophobicContact CG2-CD1 3.45Å; I585-I596 VanDerWaalsContact CG2-CD1 3.45Å
586	L	91.4	Very high	91.2	Very high	29 Å²	29	40.6 Å²	40.6	15%	0.152	20%	0.197	C	C	.	.	H	α-helix	trans	-62.9	-35.6	-177.1	-75.4	165.7	0	0	0	113.8	I582 Q583 D584 I596 R597 L600	I582-L586 HydrophobicContact CG2-CD1 3.94Å; I582-L586 WeakPolarHBondContact O-CB 3.32Å; I582-L586 WeakPolarHBondContact O-CD1 3.37Å; I582-L586 VanDerWaalsContact O-CG 3.27Å; I582-L586 WeakPolarHBondContact O-CG 3.24Å; I582-L586 PolarHBondContact O-N 3.28Å; I582-L586 VanDerWaalsContact O-N 3.12Å; Q583-L586 PolarHBondContact O-N 3.17Å; D584-L586 VanDerWaalsContact C-N 3.31Å; D584-L586 PolarHBondContact O-N 2.9Å; L586-I596 HydrophobicContact CD1-CG2 3.86Å; L586-I596 HydrophobicContact CD2-CB 4.08Å; L586-I596 HydrophobicContact CD2-CG2 3.72Å; L586-I596 HydrophobicContact CG-CG2 3.88Å; L586-R597 HydrophobicContact CD2-CG 3.49Å; L586-R597 VanDerWaalsContact CD2-CG 3.49Å; L586-R597 PolarHBondContact O-NH2 2.93Å; L586-L600 HydrophobicContact CD1-CD1 3.52Å; L586-L600 HydrophobicContact CD2-CD1 4.48Å
587	R	92.9	Very high	91.4	Very high	119 Å²	119	46.3 Å²	46.3	45%	0.449	22%	0.218	S	C	.	.	H	α-helix	trans	-78.6	-48.2	-178.1	179	-173.4	73.3	131.4	6.3	111.8	Q583 D584 I585 Q589 F620 S621	Q583-R587 WeakPolarHBondContact O-CB 3.11Å; Q583-R587 PolarHBondContact O-N 3.28Å; Q583-R587 VanDerWaalsContact O-N 3.08Å; D584-R587 PolarHBondContact O-N 2.75Å; D584-R587 IonicContact OD1-CZ 3.73Å; D584-R587 IonicContact OD1-NE 3.73Å; D584-R587 PolarHBondContact OD1-NE 3Å; D584-R587 IonicContact OD1-NH2 2.8Å; D584-R587 PolarHBondContact OD1-NH2 2.89Å; I585-R587 VanDerWaalsContact C-N 3.31Å; I585-R587 PolarHBondContact O-N 3.31Å; R587-Q589 PolarHBondContact O-N 3.33Å; R587-F620 VanDerWaalsContact NH1-CD2 3.31Å; R587-F620 VanDerWaalsContact NH2-CE2 3.33Å; R587-S621 PolarHBondContact NH2-O 3.41Å
588	F	87.6	Confident	91.5	Very high	49 Å²	49	53.8 Å²	53.8	22%	0.215	25%	0.246	C	C	.	.	H	α-helix	trans	-79.9	-7.3	178.8	-155.4	-108.8	0	0	0	113	D584 M590 S621 F623 T633	D584-F588 VanDerWaalsContact O-CB 3.29Å; D584-F588 WeakPolarHBondContact O-CB 3.38Å; D584-F588 PolarHBondContact O-N 2.96Å; F588-M590 HydrophobicContact CB-CE 4.15Å; F588-M590 HydrophobicContact CB-CG 4.31Å; F588-M590 HydrophobicContact CD1-CE 4.1Å; F588-M590 HydrophobicContact CD1-CG 4.14Å; F588-M590 HydrophobicContact CG-CE 4.45Å; F588-M590 PolarHBondContact O-N 3.22Å; F588-S621 WeakPolarHBondContact CD2-O 3.21Å; F588-F623 HydrophobicContact CD2-CE2 4.41Å; F588-F623 AromaticContact CE2-CD2 3.9Å; F588-F623 HydrophobicContact CE2-CD2 3.9Å; F588-F623 HydrophobicContact CE2-CE1 4.43Å; F588-F623 AromaticContact CE2-CE2 3.57Å; F588-F623 HydrophobicContact CE2-CE2 3.57Å; F588-F623 HydrophobicContact CE2-CG 4.46Å; F588-F623 AromaticContact CE2-CZ 3.86Å; F588-F623 HydrophobicContact CE2-CZ 3.86Å; F588-F623 HydrophobicContact CZ-CD1 4.38Å; F588-F623 HydrophobicContact CZ-CD2 4.34Å; F588-F623 AromaticContact CZ-CE1 3.98Å; F588-F623 HydrophobicContact CZ-CE1 3.98Å; F588-F623 AromaticContact CZ-CE2 3.94Å; F588-F623 HydrophobicContact CZ-CE2 3.94Å; F588-F623 AromaticContact CZ-CZ 3.74Å; F588-F623 HydrophobicContact CZ-CZ 3.74Å; F588-T633 HydrophobicContact CE1-CG2 4.07Å; F588-T633 HydrophobicContact CZ-CG2 3.62Å
589	Q	88.1	Confident	91.4	Very high	144 Å²	144	53.8 Å²	53.8	67%	0.673	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.3	34.1	175.3	-46.2	-170.6	22.5	0	0	114.1	I585 R587 S593	I585-Q589 WeakPolarHBondContact O-CA 3.32Å; I585-Q589 PolarHBondContact O-N 3.22Å; R587-Q589 PolarHBondContact O-N 3.33Å; Q589-S593 WeakPolarHBondContact CA-OG 3.28Å
590	M	86.1	Confident	91.3	Very high	51 Å²	51	54.7 Å²	54.7	25%	0.251	25%	0.251	S	S	.	.			trans	-60.4	159.5	176.5	-51.2	-177.7	-171	0	0	111.6	D584 I585 F588 A592 S593 S621	D584-M590 WeakPolarHBondContact OD2-CE 3.47Å; I585-M590 HydrophobicContact CB-SD 4.37Å; I585-M590 HydrophobicContact CG1-CB 4.4Å; I585-M590 HydrophobicContact CG1-CG 4.41Å; I585-M590 HydrophobicContact CG1-SD 3.62Å; I585-M590 HydrophobicContact CG2-CB 4.14Å; I585-M590 PolarHBondContact O-N 3.2Å; I585-M590 VanDerWaalsContact O-N 3.16Å; F588-M590 HydrophobicContact CB-CE 4.15Å; F588-M590 HydrophobicContact CB-CG 4.31Å; F588-M590 HydrophobicContact CD1-CE 4.1Å; F588-M590 HydrophobicContact CD1-CG 4.14Å; F588-M590 HydrophobicContact CG-CE 4.45Å; F588-M590 PolarHBondContact O-N 3.22Å; M590-A592 VanDerWaalsContact C-N 3.32Å; M590-A592 PolarHBondContact O-N 3.23Å; M590-S593 PolarHBondContact N-OG 2.99Å; M590-S593 WeakPolarHBondContact O-CB 3.39Å; M590-S593 PolarHBondContact O-N 2.86Å; M590-S593 PolarHBondContact O-OG 3.16Å; M590-S621 WeakPolarHBondContact CE-OG 3.45Å
591	P	85.6	Confident	91.3	Very high	118 Å²	118	61.9 Å²	61.9	77%	0.766	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-41.6	-168.2	-31.7	37.2	0	0	0	116.2	S593	P591-S593 PolarHBondContact O-N 2.59Å; P591-S593 VanDerWaalsContact O-N 3.15Å
592	A	89.4	Confident	91.3	Very high	3 Å²	3	62.5 Å²	62.5	3%	0.025	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-16.2	179.1	0	0	0	0	0	114.6	P555 I585 M590 K594 V595 I596	P555-A592 HydrophobicContact CG-CB 3.95Å; I585-A592 HydrophobicContact CG2-CB 4.34Å; M590-A592 VanDerWaalsContact C-N 3.32Å; M590-A592 PolarHBondContact O-N 3.23Å; A592-K594 PolarHBondContact O-N 3.27Å; A592-V595 PolarHBondContact O-N 3.03Å; A592-I596 HydrophobicContact CB-CD1 3.95Å; A592-I596 HydrophobicContact CB-CG1 4.49Å; A592-I596 WeakPolarHBondContact O-CG1 3.45Å; A592-I596 PolarHBondContact O-N 3.18Å
593	S	92	Very high	91.2	Very high	6 Å²	6	69.5 Å²	69.5	4%	0.042	32%	0.323	C	S	.	.	H	α-helix	trans	-50.5	-36.5	-176.6	-64.3	0	0	0	0	114.3	I585 Q589 M590 P591 R597	I585-S593 PolarHBondContact O-OG 2.88Å; Q589-S593 WeakPolarHBondContact CA-OG 3.28Å; M590-S593 PolarHBondContact N-OG 2.99Å; M590-S593 WeakPolarHBondContact O-CB 3.39Å; M590-S593 PolarHBondContact O-N 2.86Å; M590-S593 PolarHBondContact O-OG 3.16Å; P591-S593 PolarHBondContact O-N 2.59Å; P591-S593 VanDerWaalsContact O-N 3.15Å; S593-R597 WeakPolarHBondContact O-CB 3.32Å; S593-R597 VanDerWaalsContact O-CG 3.26Å; S593-R597 WeakPolarHBondContact O-CG 3.3Å; S593-R597 PolarHBondContact O-N 2.9Å
594	K	92.4	Very high	91.1	Very high	180 Å²	180	71.2 Å²	71.2	78%	0.783	33%	0.333	S	S	*	.	H	α-helix	trans	-67.5	-39.2	-179.5	-67.4	178.2	-179.4	174.1	0	111.9	A592 R598	A592-K594 PolarHBondContact O-N 3.27Å; K594-R598 PolarHBondContact O-N 2.87Å
595	V	93.1	Very high	90.8	Very high	34 Å²	34	71 Å²	71	21%	0.206	33%	0.332	C	S	.	.	H	α-helix	trans	-74.7	-40.5	178.3	-173.5	0	0	0	0	110.1	V560 A592 R598 A599	V560-V595 HydrophobicContact CB-CG1 4.14Å; V560-V595 HydrophobicContact CG2-CB 4.28Å; V560-V595 HydrophobicContact CG2-CG1 3.74Å; A592-V595 PolarHBondContact O-N 3.03Å; V595-R598 PolarHBondContact O-N 3.42Å; V595-A599 PolarHBondContact O-N 3.33Å
596	I	93.7	Very high	90.8	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-62.8	-46.8	175.9	-61.6	164.5	0	0	0	111.2	L551 V560 I582 I585 L586 A592 R598 A599 L600	L551-I596 HydrophobicContact CD2-CD1 4.47Å; V560-I596 HydrophobicContact CG1-CB 4.21Å; V560-I596 HydrophobicContact CG1-CG1 3.61Å; V560-I596 HydrophobicContact CG2-CG1 4.31Å; I582-I596 HydrophobicContact CG2-CG2 3.86Å; I585-I596 HydrophobicContact CB-CD1 4.22Å; I585-I596 HydrophobicContact CD1-CD1 4.28Å; I585-I596 HydrophobicContact CG2-CD1 3.45Å; I585-I596 VanDerWaalsContact CG2-CD1 3.45Å; L586-I596 HydrophobicContact CD1-CG2 3.86Å; L586-I596 HydrophobicContact CD2-CB 4.08Å; L586-I596 HydrophobicContact CD2-CG2 3.72Å; L586-I596 HydrophobicContact CG-CG2 3.88Å; A592-I596 HydrophobicContact CB-CD1 3.95Å; A592-I596 HydrophobicContact CB-CG1 4.49Å; A592-I596 WeakPolarHBondContact O-CG1 3.45Å; A592-I596 PolarHBondContact O-N 3.18Å; I596-R598 VanDerWaalsContact C-N 3.29Å; I596-R598 PolarHBondContact O-N 3.12Å; I596-A599 CarbonylContact O-C 3.44Å; I596-A599 WeakPolarHBondContact O-CA 3.27Å; I596-A599 PolarHBondContact O-N 2.87Å; I596-L600 HydrophobicContact CG2-CD1 3.96Å; I596-L600 HydrophobicContact CG2-CG 4.17Å; I596-L600 WeakPolarHBondContact O-CG 3.49Å; I596-L600 PolarHBondContact O-N 2.8Å
597	R	94.3	Very high	90.8	Very high	127 Å²	127	75.5 Å²	75.5	48%	0.479	35%	0.353	S	S	.	.	H	α-helix	trans	-56.5	-42.6	177	-73	175.8	-168.6	-172.9	4.1	112	L586 S593 A599 L600 E601	L586-R597 HydrophobicContact CD2-CG 3.49Å; L586-R597 VanDerWaalsContact CD2-CG 3.49Å; L586-R597 PolarHBondContact O-NH2 2.93Å; S593-R597 WeakPolarHBondContact O-CB 3.32Å; S593-R597 VanDerWaalsContact O-CG 3.26Å; S593-R597 WeakPolarHBondContact O-CG 3.3Å; S593-R597 PolarHBondContact O-N 2.9Å; R597-A599 PolarHBondContact O-N 3.47Å; R597-L600 PolarHBondContact O-N 3.38Å; R597-E601 PolarHBondContact O-N 3.19Å
598	R	93.9	Very high	90.6	Very high	157 Å²	157	79.3 Å²	79.3	59%	0.592	37%	0.369	S	S	*	.	H	α-helix	trans	-63.8	-36	172.8	179.7	179.6	-76.7	174.9	-5.3	113.3	Y557 K594 V595 I596 L600 E601	Y557-R598 HydrophobicContact CD2-CG 4.03Å; Y557-R598 HydrophobicContact CE2-CG 3.98Å; K594-R598 PolarHBondContact O-N 2.87Å; V595-R598 PolarHBondContact O-N 3.42Å; I596-R598 VanDerWaalsContact C-N 3.29Å; I596-R598 PolarHBondContact O-N 3.12Å; R598-L600 VanDerWaalsContact C-N 3.29Å; R598-E601 WeakPolarHBondContact O-CB 3.39Å; R598-E601 PolarHBondContact O-N 3.44Å
599	A	92.4	Very high	90.6	Very high	0 Å²	0	81.6 Å²	81.6	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-72.3	-23.2	175.3	0	0	0	0	0	113	Y557 V560 L564 V595 I596 R597 S605	Y557-A599 HydrophobicContact CD2-CB 4.37Å; Y557-A599 HydrophobicContact CE2-CB 4.14Å; V560-A599 HydrophobicContact CG1-CB 3.71Å; L564-A599 HydrophobicContact CD1-CB 3.57Å; V595-A599 PolarHBondContact O-N 3.33Å; I596-A599 CarbonylContact O-C 3.44Å; I596-A599 WeakPolarHBondContact O-CA 3.27Å; I596-A599 PolarHBondContact O-N 2.87Å; R597-A599 PolarHBondContact O-N 3.47Å; A599-S605 WeakPolarHBondContact O-CB 3.41Å
600	L	91.9	Very high	90.7	Very high	22 Å²	22	76.3 Å²	76.3	12%	0.115	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-0.3	175.4	-62.3	-179.2	0	0	0	114.5	L564 L586 I596 R597 R598 H606 F611	L564-L600 HydrophobicContact CD1-CD2 3.77Å; L564-L600 HydrophobicContact CD1-CG 4.38Å; L564-L600 HydrophobicContact CD2-CD2 3.7Å; L564-L600 HydrophobicContact CG-CD2 4.41Å; L586-L600 HydrophobicContact CD1-CD1 3.52Å; L586-L600 HydrophobicContact CD2-CD1 4.48Å; I596-L600 HydrophobicContact CG2-CD1 3.96Å; I596-L600 HydrophobicContact CG2-CG 4.17Å; I596-L600 WeakPolarHBondContact O-CG 3.49Å; I596-L600 PolarHBondContact O-N 2.8Å; R597-L600 PolarHBondContact O-N 3.38Å; R598-L600 VanDerWaalsContact C-N 3.29Å; L600-H606 HydrophobicContact CB-CB 3.98Å; L600-H606 HydrophobicContact CD2-CB 3.64Å; L600-H606 HydrophobicContact CG-CB 4.39Å; L600-H606 WeakPolarHBondContact O-CB 3.41Å; L600-H606 PolarHBondContact O-ND1 3.08Å; L600-F611 HydrophobicContact CD1-CZ 4.28Å; L600-F611 HydrophobicContact CD2-CE2 3.97Å; L600-F611 HydrophobicContact CD2-CZ 3.56Å
601	E	92	Very high	90.8	Very high	155 Å²	155	75.8 Å²	75.8	72%	0.724	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-19.2	164.3	-69.1	161.6	-162.8	0	0	111.4	R597 R598	R597-E601 PolarHBondContact O-N 3.19Å; R598-E601 WeakPolarHBondContact O-CB 3.39Å; R598-E601 PolarHBondContact O-N 3.44Å
602	D	91.6	Very high	90.9	Very high	37 Å²	37	73.7 Å²	73.7	20%	0.198	35%	0.346	C	S	.	.	S	Bend	trans	-90.8	115.3	176.4	-174.4	-19.7	0	0	0	111.5	K561 I604 S605 H606	K561-D602 IonicContact NZ-OD2 3.17Å; K561-D602 PolarHBondContact NZ-OD2 3.05Å; D602-I604 PolarHBondContact O-N 3.16Å; D602-I604 VanDerWaalsContact O-N 3.16Å; D602-I604 VanDerWaalsContact OD1-CB 3.3Å; D602-I604 WeakPolarHBondContact OD1-CB 3.33Å; D602-I604 WeakPolarHBondContact OD1-CG1 3.31Å; D602-I604 PolarHBondContact OD1-N 3.5Å; D602-S605 CarbonylContact O-C 3.43Å; D602-S605 PolarHBondContact O-N 3.48Å; D602-H606 PolarHBondContact O-N 3.43Å
603	M	90.8	Very high	90.8	Very high	147 Å²	147	75.1 Å²	75.1	72%	0.724	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.3	-179.5	-167.5	176.8	-179.6	0	0	114.1	H606 N607	M603-H606 WeakPolarHBondContact CA-O 3.42Å; M603-H606 CarbonylContact O-C 3.59Å; M603-N607 WeakPolarHBondContact O-CB 3.25Å; M603-N607 PolarHBondContact O-ND2 2.97Å
604	I	89.9	Confident	90.4	Very high	110 Å²	110	79.2 Å²	79.2	56%	0.564	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-34.5	174.5	-54.5	173.7	0	0	0	110.5	L565 D602 N607 R610	L565-I604 HydrophobicContact CD2-CG2 3.96Å; D602-I604 PolarHBondContact O-N 3.16Å; D602-I604 VanDerWaalsContact O-N 3.16Å; D602-I604 VanDerWaalsContact OD1-CB 3.3Å; D602-I604 WeakPolarHBondContact OD1-CB 3.33Å; D602-I604 WeakPolarHBondContact OD1-CG1 3.31Å; D602-I604 PolarHBondContact OD1-N 3.5Å; I604-N607 PolarHBondContact O-ND2 2.63Å; I604-R610 PolarHBondContact O-NE 3.21Å; I604-R610 VanDerWaalsContact O-NE 3.07Å; I604-R610 PolarHBondContact O-NH2 3.43Å
605	S	86.6	Confident	89.9	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-19	176.5	-68.8	0	0	0	0	113.2	A599 D602 R610	A599-S605 WeakPolarHBondContact O-CB 3.41Å; D602-S605 CarbonylContact O-C 3.43Å; D602-S605 PolarHBondContact O-N 3.48Å; S605-R610 WeakPolarHBondContact O-CD 3.41Å
606	H	91.9	Very high	89.3	Confident	83 Å²	83	69.8 Å²	69.8	38%	0.384	34%	0.337	S	S	.	.	S	Bend	trans	-135.9	99.2	-178.4	-174.1	-148.3	0	0	0	111.8	L600 D602 M603 F611	L600-H606 HydrophobicContact CB-CB 3.98Å; L600-H606 HydrophobicContact CD2-CB 3.64Å; L600-H606 HydrophobicContact CG-CB 4.39Å; L600-H606 WeakPolarHBondContact O-CB 3.41Å; L600-H606 PolarHBondContact O-ND1 3.08Å; D602-H606 PolarHBondContact O-N 3.43Å; M603-H606 WeakPolarHBondContact CA-O 3.42Å; M603-H606 CarbonylContact O-C 3.59Å; H606-F611 AromaticContact CD2-CE2 3.94Å; H606-F611 AromaticContact CD2-CZ 3.99Å
607	N	90.7	Very high	89	Confident	43 Å²	43	69.8 Å²	69.8	23%	0.23	34%	0.337	C	S	.	.	S	Bend	trans	-152.7	167.3	176.5	56.5	66.6	0	0	0	110.4	M603 I604 D609 R610 F611	M603-N607 WeakPolarHBondContact O-CB 3.25Å; M603-N607 PolarHBondContact O-ND2 2.97Å; I604-N607 PolarHBondContact O-ND2 2.63Å; N607-D609 PolarHBondContact O-N 3.43Å; N607-D609 PolarHBondContact OD1-N 3.23Å; N607-R610 PolarHBondContact O-N 3.01Å; N607-R610 WeakPolarHBondContact OD1-CB 3.37Å; N607-R610 PolarHBondContact OD1-N 2.66Å; N607-F611 WeakPolarHBondContact O-CB 3.45Å; N607-F611 PolarHBondContact O-N 3.11Å
608	Y	88.2	Confident	88.7	Confident	200 Å²	200	63.8 Å²	63.8	78%	0.784	32%	0.315	S	S	*	.	H	α-helix	trans	-64.3	-35.3	-174.4	60.4	-94.8	0	0	0	113.3	F611 A612	Y608-F611 PolarHBondContact O-N 3.04Å; Y608-A612 WeakPolarHBondContact O-CB 3.47Å; Y608-A612 PolarHBondContact O-N 2.68Å
609	D	88.6	Confident	88.4	Confident	96 Å²	96	56.8 Å²	56.8	51%	0.513	29%	0.29	S	S	.	.	H	α-helix	trans	-58.9	-54	173.3	168.3	74.1	0	0	0	109.9	N607 F611 A612 K613	N607-D609 PolarHBondContact O-N 3.43Å; N607-D609 PolarHBondContact OD1-N 3.23Å; D609-F611 PolarHBondContact O-N 2.98Å; D609-A612 PolarHBondContact O-N 2.93Å; D609-K613 WeakPolarHBondContact O-CE 3.34Å; D609-K613 PolarHBondContact O-NZ 3.16Å; D609-K613 IonicContact OD1-NZ 3.02Å; D609-K613 PolarHBondContact OD1-NZ 2.99Å; D609-K613 IonicContact OD2-NZ 2.69Å; D609-K613 PolarHBondContact OD2-NZ 3.11Å
610	R	88.9	Confident	88.2	Confident	34 Å²	34	57.4 Å²	57.4	13%	0.128	29%	0.293	C	S	.	.	H	α-helix	trans	-65.9	-28.6	-173.3	-161.9	179	-69.8	-81.4	9.8	112.5	L564 L565 I567 I604 S605 N607	L564-R610 WeakPolarHBondContact O-CD 3.44Å; L565-R610 PolarHBondContact O-NH1 2.89Å; I567-R610 HydrophobicContact CB-CG 4.32Å; I567-R610 HydrophobicContact CG2-CG 4.36Å; I567-R610 WeakPolarHBondContact O-CG 3.38Å; I567-R610 PolarHBondContact O-NH1 3.39Å; I604-R610 PolarHBondContact O-NE 3.21Å; I604-R610 VanDerWaalsContact O-NE 3.07Å; I604-R610 PolarHBondContact O-NH2 3.43Å; S605-R610 WeakPolarHBondContact O-CD 3.41Å; N607-R610 PolarHBondContact O-N 3.01Å; N607-R610 WeakPolarHBondContact OD1-CB 3.37Å; N607-R610 PolarHBondContact OD1-N 2.66Å
611	F	89.8	Confident	88	Confident	39 Å²	39	56.9 Å²	56.9	17%	0.171	29%	0.291	C	S	.	.	H	α-helix	trans	-101.8	-2.8	-177.7	-85.3	-119	0	0	0	114.8	L564 L579 L600 H606 N607 Y608 D609	L564-F611 HydrophobicContact CD2-CE2 4.17Å; L564-F611 HydrophobicContact CD2-CZ 4.06Å; L579-F611 HydrophobicContact CD1-CB 4.21Å; L579-F611 HydrophobicContact CD1-CD1 3.59Å; L579-F611 HydrophobicContact CD1-CD2 4.21Å; L579-F611 HydrophobicContact CD1-CE1 3.87Å; L579-F611 HydrophobicContact CD1-CE2 4.44Å; L579-F611 HydrophobicContact CD1-CG 3.76Å; L579-F611 HydrophobicContact CD1-CZ 4.27Å; L579-F611 WeakPolarHBondContact CD2-O 3.46Å; L600-F611 HydrophobicContact CD1-CZ 4.28Å; L600-F611 HydrophobicContact CD2-CE2 3.97Å; L600-F611 HydrophobicContact CD2-CZ 3.56Å; H606-F611 AromaticContact CD2-CE2 3.94Å; H606-F611 AromaticContact CD2-CZ 3.99Å; N607-F611 WeakPolarHBondContact O-CB 3.45Å; N607-F611 PolarHBondContact O-N 3.11Å; Y608-F611 PolarHBondContact O-N 3.04Å; D609-F611 PolarHBondContact O-N 2.98Å
612	A	87.6	Confident	87.7	Confident	74 Å²	74	49.8 Å²	49.8	61%	0.612	26%	0.26	S	S	*	.			trans	-104.1	50.8	173.5	0	0	0	0	0	111.8	Y608 D609	Y608-A612 WeakPolarHBondContact O-CB 3.47Å; Y608-A612 PolarHBondContact O-N 2.68Å; D609-A612 PolarHBondContact O-N 2.93Å
613	K	86.7	Confident	87.3	Confident	34 Å²	34	52.2 Å²	52.2	15%	0.148	27%	0.269	C	S	.	.			trans	-87.2	129.9	177.2	-55	-51.4	-179.1	-162.3	0	111	I567 N575 K576 L579 D609	I567-K613 HydrophobicContact CG2-CG 4.16Å; N575-K613 HydrophobicContact CB-CB 4.32Å; N575-K613 HydrophobicContact CB-CG 4.33Å; K576-K613 WeakPolarHBondContact CD-O 3.5Å; L579-K613 HydrophobicContact CD2-CB 3.97Å; L579-K613 HydrophobicContact CD2-CG 4.36Å; D609-K613 WeakPolarHBondContact O-CE 3.34Å; D609-K613 PolarHBondContact O-NZ 3.16Å; D609-K613 IonicContact OD1-NZ 3.02Å; D609-K613 PolarHBondContact OD1-NZ 2.99Å; D609-K613 IonicContact OD2-NZ 2.69Å; D609-K613 PolarHBondContact OD2-NZ 3.11Å
614	V	84.2	Confident	86.6	Confident	91 Å²	91	45.4 Å²	45.4	55%	0.552	24%	0.235	S	C	*	.			trans	-85.4	177.3	171	-66	0	0	0	0	110.6
615	G	81.4	Confident	85.7	Confident	13 Å²	13	40.1 Å²	40.1	13%	0.134	21%	0.208	C	C	.	.	S	Bend	trans	114	159	-171.3	0	0	0	0	0	111.5	H572 E573 K576 F675	H572-G615 VanDerWaalsContact CD2-CA 3.5Å; H572-G615 WeakPolarHBondContact CD2-CA 3.48Å; H572-G615 WeakPolarHBondContact NE2-CA 3.34Å; H572-G615 PolarHBondContact NE2-N 2.93Å; E573-G615 WeakPolarHBondContact OE1-CA 3.4Å; K576-G615 WeakPolarHBondContact CG-O 3.47Å; G615-F675 WeakPolarHBondContact O-CD1 3.38Å; G615-F675 WeakPolarHBondContact O-CE1 3.35Å
616	S	80.6	Confident	85.1	Confident	4 Å²	4	45.4 Å²	45.4	3%	0.028	23%	0.233	C	C	.	.	S	Bend	trans	-82.7	3	-168.6	-65.3	0	0	0	0	116.9	E573 Y640 N674 F675	E573-S616 PolarHBondContact OE1-N 3.26Å; E573-S616 VanDerWaalsContact OE2-C 3.22Å; E573-S616 VanDerWaalsContact OE2-CA 3.29Å; E573-S616 WeakPolarHBondContact OE2-CA 3.49Å; E573-S616 PolarHBondContact OE2-N 3.45Å; S616-Y640 VanDerWaalsContact C-CD2 3.42Å; S616-Y640 WeakPolarHBondContact O-CD2 3.42Å; S616-Y640 WeakPolarHBondContact O-CE2 3.45Å; S616-N674 PolarHBondContact OG-O 2.91Å; S616-F675 VanDerWaalsContact O-CE1 3.31Å; S616-F675 WeakPolarHBondContact O-CE1 3.46Å; S616-F675 WeakPolarHBondContact O-CE2 3.39Å; S616-F675 WeakPolarHBondContact O-CZ 3.34Å
617	S	86.2	Confident	83.9	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.			trans	-91.2	152.5	-175.6	-61.9	0	0	0	0	115.1	E573 K576 I638 L639 Y640 F675	E573-S617 WeakPolarHBondContact O-CB 3.3Å; E573-S617 PolarHBondContact O-OG 2.9Å; E573-S617 WeakPolarHBondContact OE2-CB 3.46Å; E573-S617 PolarHBondContact OE2-N 2.89Å; E573-S617 PolarHBondContact OE2-OG 2.97Å; K576-S617 WeakPolarHBondContact CE-O 3.41Å; K576-S617 WeakPolarHBondContact CG-O 3.43Å; S617-I638 CarbonylContact C-O 3.57Å; S617-I638 VanDerWaalsContact CA-O 3.26Å; S617-I638 WeakPolarHBondContact CA-O 3.4Å; S617-I638 WeakPolarHBondContact CB-O 3.35Å; S617-L639 WeakPolarHBondContact OG-CA 3.36Å; S617-Y640 PolarHBondContact OG-N 3.06Å; S617-F675 VanDerWaalsContact C-CZ 3.47Å; S617-F675 VanDerWaalsContact O-CE1 3.29Å; S617-F675 WeakPolarHBondContact O-CE1 3.26Å; S617-F675 WeakPolarHBondContact O-CZ 3.21Å
618	S	87.9	Confident	82.8	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.007	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	165.5	-177.5	59.2	0	0	0	0	113.3	I638 H906	S618-I638 PolarHBondContact N-O 2.99Å; S618-I638 PolarHBondContact O-N 3.31Å; S618-I638 VanDerWaalsContact O-O 3.09Å; S618-H906 VanDerWaalsContact CB-CE1 3.42Å; S618-H906 WeakPolarHBondContact CB-CE1 3.5Å; S618-H906 WeakPolarHBondContact CB-ND1 3.41Å; S618-H906 PolarHBondContact OG-CE1 2.97Å; S618-H906 PolarHBondContact OG-ND1 3.15Å
619	A	88.9	Confident	81.9	Confident	9 Å²	9	37.8 Å²	37.8	7%	0.074	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	140.5	171.5	0	0	0	0	0	108.3	K581 D584 D637	K581-A619 HydrophobicContact CB-CB 4.24Å; K581-A619 HydrophobicContact CD-CB 4.24Å; D584-A619 HydrophobicContact CB-CB 4.36Å; A619-D637 WeakPolarHBondContact CA-OD1 3.49Å; A619-D637 WeakPolarHBondContact CB-OD1 3.39Å
620	F	88.5	Confident	81	Confident	14 Å²	14	33.3 Å²	33.3	6%	0.061	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	125.5	-176.8	-174.9	-83.2	0	0	0	113.1	R587 Y634 S635 L636 P904 L905 H906	R587-F620 VanDerWaalsContact NH1-CD2 3.31Å; R587-F620 VanDerWaalsContact NH2-CE2 3.33Å; F620-Y634 AromaticContact CD1-CE2 3.95Å; F620-Y634 HydrophobicContact CD1-CE2 3.95Å; F620-Y634 AromaticContact CE1-CE2 3.71Å; F620-Y634 HydrophobicContact CE1-CE2 3.71Å; F620-Y634 AromaticContact CE1-CZ 3.93Å; F620-S635 CarbonylContact O-C 3.52Å; F620-S635 VanDerWaalsContact O-CA 3.22Å; F620-S635 WeakPolarHBondContact O-CA 3.46Å; F620-L636 PolarHBondContact N-O 3.2Å; F620-L636 VanDerWaalsContact N-O 3.08Å; F620-L636 PolarHBondContact O-N 3.1Å; F620-P904 WeakPolarHBondContact CE1-O 3.27Å; F620-P904 WeakPolarHBondContact CZ-O 3.5Å; F620-L905 VanDerWaalsContact CD2-C 3.45Å; F620-L905 WeakPolarHBondContact CE2-O 3.5Å; F620-L905 WeakPolarHBondContact CZ-O 3.45Å; F620-H906 HydrophobicContact CB-CB 4.15Å; F620-H906 HydrophobicContact CD2-CB 3.82Å; F620-H906 HydrophobicContact CG-CB 4.38Å
621	S	87.8	Confident	80.5	Confident	10 Å²	10	33.8 Å²	33.8	7%	0.07	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	141.5	168.3	-56.1	0	0	0	0	112.4	D584 R587 F588 M590 Y634 S635	D584-S621 PolarHBondContact OD1-N 2.87Å; D584-S621 WeakPolarHBondContact OD2-CB 3.26Å; D584-S621 PolarHBondContact OD2-N 3.01Å; D584-S621 PolarHBondContact OD2-OG 2.97Å; R587-S621 PolarHBondContact NH2-O 3.41Å; F588-S621 WeakPolarHBondContact CD2-O 3.21Å; M590-S621 WeakPolarHBondContact CE-OG 3.45Å; S621-Y634 CarbonylContact C-O 3.36Å; S621-Y634 VanDerWaalsContact CA-O 3.29Å; S621-Y634 WeakPolarHBondContact CA-O 3.37Å; S621-S635 WeakPolarHBondContact OG-CB 3.47Å
622	G	85.8	Confident	79.9	Confident	7 Å²	7	32 Å²	32	7%	0.072	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	168.6	-179.4	0	0	0	0	0	112.8	T633 Y634	G622-T633 CarbonylContact O-C 3.6Å; G622-T633 WeakPolarHBondContact O-CA 3.35Å; G622-T633 WeakPolarHBondContact O-CB 3.32Å; G622-Y634 PolarHBondContact N-O 3.11Å; G622-Y634 VanDerWaalsContact O-CD1 3.29Å; G622-Y634 WeakPolarHBondContact O-CD1 3.37Å; G622-Y634 PolarHBondContact O-N 2.91Å
623	F	82.4	Confident	79.7	Confident	88 Å²	88	29.4 Å²	29.4	39%	0.386	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	128.7	176.3	-66.8	-79.8	0	0	0	110.9	F588 T631 S632 T633	F588-F623 HydrophobicContact CD2-CE2 4.41Å; F588-F623 AromaticContact CE2-CD2 3.9Å; F588-F623 HydrophobicContact CE2-CD2 3.9Å; F588-F623 HydrophobicContact CE2-CE1 4.43Å; F588-F623 AromaticContact CE2-CE2 3.57Å; F588-F623 HydrophobicContact CE2-CE2 3.57Å; F588-F623 HydrophobicContact CE2-CG 4.46Å; F588-F623 AromaticContact CE2-CZ 3.86Å; F588-F623 HydrophobicContact CE2-CZ 3.86Å; F588-F623 HydrophobicContact CZ-CD1 4.38Å; F588-F623 HydrophobicContact CZ-CD2 4.34Å; F588-F623 AromaticContact CZ-CE1 3.98Å; F588-F623 HydrophobicContact CZ-CE1 3.98Å; F588-F623 AromaticContact CZ-CE2 3.94Å; F588-F623 HydrophobicContact CZ-CE2 3.94Å; F588-F623 AromaticContact CZ-CZ 3.74Å; F588-F623 HydrophobicContact CZ-CZ 3.74Å; F623-T631 HydrophobicContact CD1-CG2 3.76Å; F623-T631 HydrophobicContact CE1-CG2 3.67Å; F623-S632 WeakPolarHBondContact CA-O 3.47Å; F623-T633 HydrophobicContact CD1-CG2 3.66Å; F623-T633 HydrophobicContact CE1-CG2 3.72Å
624	M	75.3	Confident	79.5	Confident	3 Å²	3	28 Å²	28	2%	0.015	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-39	167.5	-48.9	-166.1	83.6	0	0	111.2	S632 Y634 I653 V696 L846 F903	M624-S632 PolarHBondContact N-O 2.87Å; M624-Y634 HydrophobicContact CG-CD1 3.46Å; M624-Y634 VanDerWaalsContact CG-CD1 3.46Å; M624-Y634 HydrophobicContact CG-CE1 4.25Å; M624-Y634 HydrophobicContact CG-CG 4.24Å; M624-I653 HydrophobicContact SD-CD1 3.95Å; M624-I653 HydrophobicContact SD-CG1 4.48Å; M624-I653 HydrophobicContact SD-CG2 3.91Å; M624-V696 HydrophobicContact CE-CG2 3.83Å; M624-V696 HydrophobicContact SD-CG2 4.4Å; M624-L846 HydrophobicContact CE-CD2 4.41Å; M624-F903 HydrophobicContact CB-CE1 4.21Å; M624-F903 HydrophobicContact CB-CZ 4.11Å; M624-F903 HydrophobicContact CE-CD2 4Å; M624-F903 HydrophobicContact CE-CE2 3.52Å; M624-F903 HydrophobicContact CE-CZ 3.92Å
625	A	71.9	Confident	79.4	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	147.6	179.5	0	0	0	0	0	110.1	S632 A689	A625-S632 PolarHBondContact N-O 3.02Å; A625-S632 PolarHBondContact O-N 2.82Å; A625-A689 HydrophobicContact CB-CB 3.62Å; A625-A689 WeakPolarHBondContact CB-O 3.3Å
626	Q	73.1	Confident	79.6	Confident	110 Å²	110	23.5 Å²	23.5	51%	0.514	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	116.5	176.4	-168.9	-180	90	0	0	107.9	T631 L686	Q626-T631 HydrophobicContact CG-CG2 4.3Å; Q626-L686 HydrophobicContact CB-CD2 3.92Å
627	S	67	Low	79.8	Confident	18 Å²	18	23.5 Å²	23.5	13%	0.126	13%	0.132	C	C	.	.			trans	-150.5	166.6	-173.2	75.7	0	0	0	0	111.1	D629 V630 N690	S627-D629 PolarHBondContact O-N 2.77Å; S627-D629 PolarHBondContact OG-N 2.73Å; S627-V630 PolarHBondContact N-O 2.93Å; S627-V630 PolarHBondContact OG-N 2.91Å; S627-V630 PolarHBondContact OG-O 3.3Å; S627-N690 WeakPolarHBondContact CB-OD1 3.15Å; S627-N690 VanDerWaalsContact OG-CG 3.3Å; S627-N690 PolarHBondContact OG-ND2 3.25Å; S627-N690 PolarHBondContact OG-OD1 2.95Å
628	P	67.6	Low	79.6	Confident	118 Å²	118	23.6 Å²	23.6	77%	0.766	13%	0.132	S	C	*	.	S	Bend	trans	-65.8	-13.8	175.4	-22.1	34.8	0	0	0	115.3	R247	R247-P628 PolarHBondContact NH1-O 2.83Å
629	D	69.3	Low	79.5	Confident	31 Å²	31	23.6 Å²	23.6	17%	0.166	13%	0.132	C	C	.	.	S	Bend	trans	-101.8	-45.2	-178.5	-75.4	-2.3	0	0	0	112.1	R247 S627 S657	R247-D629 VanDerWaalsContact CB-OD2 3.28Å; R247-D629 WeakPolarHBondContact CB-OD2 2.81Å; R247-D629 VanDerWaalsContact CD-OD1 3.23Å; R247-D629 WeakPolarHBondContact CD-OD1 3.29Å; R247-D629 HydrophobicContact CG-CB 4.45Å; R247-D629 WeakPolarHBondContact CG-OD1 3.02Å; R247-D629 IonicContact CZ-OD1 2.72Å; R247-D629 PolarHBondContact N-OD2 3.04Å; R247-D629 IonicContact NE-OD1 2.91Å; R247-D629 IonicContact NH1-OD1 2.8Å; R247-D629 PolarHBondContact NH1-OD1 2.9Å; S627-D629 PolarHBondContact O-N 2.77Å; S627-D629 PolarHBondContact OG-N 2.73Å; D629-S657 WeakPolarHBondContact O-CB 3.46Å; D629-S657 PolarHBondContact O-OG 3.02Å
630	V	71.2	Confident	79.1	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.006	13%	0.129	C	C	.	.			trans	-139.2	139.2	179.6	177.6	0	0	0	0	110.9	A245 S627 A656 N690 F693	A245-V630 VanDerWaalsContact CA-CG2 3.5Å; A245-V630 HydrophobicContact CB-CG2 4.02Å; A245-V630 WeakPolarHBondContact O-CG2 3.43Å; S627-V630 PolarHBondContact N-O 2.93Å; S627-V630 PolarHBondContact OG-N 2.91Å; S627-V630 PolarHBondContact OG-O 3.3Å; V630-A656 WeakPolarHBondContact CA-O 3.44Å; V630-N690 HydrophobicContact CB-CB 4.34Å; V630-N690 WeakPolarHBondContact CG1-O 3.36Å; V630-F693 HydrophobicContact CG1-CD1 4.02Å; V630-F693 HydrophobicContact CG1-CE1 3.75Å; V630-F693 HydrophobicContact CG2-CE1 4.35Å
631	T	77.8	Confident	78.6	Confident	45 Å²	45	22.6 Å²	22.6	28%	0.276	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.4	157.6	-62.2	0	0	0	0	109	F623 Q626 T633 A656	F623-T631 HydrophobicContact CD1-CG2 3.76Å; F623-T631 HydrophobicContact CE1-CG2 3.67Å; Q626-T631 HydrophobicContact CG-CG2 4.3Å; T631-T633 HydrophobicContact CG2-CG2 4.35Å; T631-A656 PolarHBondContact N-O 2.66Å; T631-A656 PolarHBondContact O-N 2.84Å
632	S	77.8	Confident	77.9	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135.3	177.7	166.8	0	0	0	0	110.6	F623 M624 A625 Y654 F693	F623-S632 WeakPolarHBondContact CA-O 3.47Å; M624-S632 PolarHBondContact N-O 2.87Å; A625-S632 PolarHBondContact N-O 3.02Å; A625-S632 PolarHBondContact O-N 2.82Å; S632-Y654 VanDerWaalsContact CA-O 3.3Å; S632-Y654 WeakPolarHBondContact CA-O 3.39Å; S632-F693 WeakPolarHBondContact OG-CB 3.48Å
633	T	82.1	Confident	77	Confident	20 Å²	20	24 Å²	24	12%	0.123	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	139.9	-176.6	60	0	0	0	0	110.5	F588 G622 F623 T631 I653 Y654	F588-T633 HydrophobicContact CE1-CG2 4.07Å; F588-T633 HydrophobicContact CZ-CG2 3.62Å; G622-T633 CarbonylContact O-C 3.6Å; G622-T633 WeakPolarHBondContact O-CA 3.35Å; G622-T633 WeakPolarHBondContact O-CB 3.32Å; F623-T633 HydrophobicContact CD1-CG2 3.66Å; F623-T633 HydrophobicContact CE1-CG2 3.72Å; T631-T633 HydrophobicContact CG2-CG2 4.35Å; T633-I653 WeakPolarHBondContact O-CA 3.46Å; T633-Y654 PolarHBondContact N-O 3.12Å; T633-Y654 VanDerWaalsContact N-O 3.11Å; T633-Y654 PolarHBondContact O-N 3.42Å
634	Y	82.3	Confident	76.4	Confident	5 Å²	5	19.8 Å²	19.8	2%	0.02	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	144.7	168.5	61.4	-76	0	0	0	109.1	F620 S621 G622 M624 N652 M865 F903 P904 L905	F620-Y634 AromaticContact CD1-CE2 3.95Å; F620-Y634 HydrophobicContact CD1-CE2 3.95Å; F620-Y634 AromaticContact CE1-CE2 3.71Å; F620-Y634 HydrophobicContact CE1-CE2 3.71Å; F620-Y634 AromaticContact CE1-CZ 3.93Å; S621-Y634 CarbonylContact C-O 3.36Å; S621-Y634 VanDerWaalsContact CA-O 3.29Å; S621-Y634 WeakPolarHBondContact CA-O 3.37Å; G622-Y634 PolarHBondContact N-O 3.11Å; G622-Y634 VanDerWaalsContact O-CD1 3.29Å; G622-Y634 WeakPolarHBondContact O-CD1 3.37Å; G622-Y634 PolarHBondContact O-N 2.91Å; M624-Y634 HydrophobicContact CG-CD1 3.46Å; M624-Y634 VanDerWaalsContact CG-CD1 3.46Å; M624-Y634 HydrophobicContact CG-CE1 4.25Å; M624-Y634 HydrophobicContact CG-CG 4.24Å; Y634-N652 CarbonylContact C-O 3.47Å; Y634-N652 WeakPolarHBondContact CA-O 3.41Å; Y634-M865 HydrophobicContact CD2-CE 3.9Å; Y634-M865 HydrophobicContact CD2-SD 4.33Å; Y634-M865 HydrophobicContact CE2-CE 4.28Å; Y634-F903 HydrophobicContact CE1-CB 4.27Å; Y634-F903 HydrophobicContact CE1-CD1 4.1Å; Y634-F903 HydrophobicContact CE1-CG 4.34Å; Y634-F903 HydrophobicContact CE2-CB 4.41Å; Y634-P904 PolarHBondContact OH-O 3.01Å; Y634-L905 HydrophobicContact CE2-CD2 4.39Å
635	S	82.8	Confident	76.1	Confident	8 Å²	8	19.9 Å²	19.9	6%	0.056	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137.3	164.9	66.1	0	0	0	0	109.9	F620 S621 M651 N652	F620-S635 CarbonylContact O-C 3.52Å; F620-S635 VanDerWaalsContact O-CA 3.22Å; F620-S635 WeakPolarHBondContact O-CA 3.46Å; S621-S635 WeakPolarHBondContact OG-CB 3.47Å; S635-M651 VanDerWaalsContact O-CA 3.32Å; S635-M651 WeakPolarHBondContact O-CA 3.16Å; S635-N652 PolarHBondContact N-O 3.28Å; S635-N652 PolarHBondContact O-N 3.4Å; S635-N652 WeakPolarHBondContact OG-CB 3.29Å; S635-N652 PolarHBondContact OG-ND2 2.75Å
636	L	85.2	Confident	76	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	108.7	174.3	-177.8	63.3	0	0	0	109.5	F620 I638 N650 M651 F848 L905	F620-L636 PolarHBondContact N-O 3.2Å; F620-L636 VanDerWaalsContact N-O 3.08Å; F620-L636 PolarHBondContact O-N 3.1Å; L636-I638 HydrophobicContact CD1-CD1 4.32Å; L636-I638 HydrophobicContact CD1-CG1 4.23Å; L636-I638 HydrophobicContact CD2-CD1 3.92Å; L636-I638 HydrophobicContact CG-CD1 3.85Å; L636-I638 HydrophobicContact CG-CG1 3.92Å; L636-N650 WeakPolarHBondContact CA-O 3.47Å; L636-M651 HydrophobicContact CD1-CB 4.26Å; L636-M651 HydrophobicContact CD1-CG 4.42Å; L636-F848 HydrophobicContact CD2-CE2 4.14Å; L636-F848 HydrophobicContact CD2-CZ 4.17Å; L636-L905 HydrophobicContact CB-CD2 4.5Å; L636-L905 HydrophobicContact CD2-CD1 3.95Å; L636-L905 HydrophobicContact CD2-CD2 3.7Å; L636-L905 HydrophobicContact CD2-CG 4.46Å
637	D	84.6	Confident	76.1	Confident	5 Å²	5	15.3 Å²	15.3	3%	0.027	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.2	-176.4	-66.8	-25.4	0	0	0	110.5	Y577 K581 A619 S649 N650	Y577-D637 HydrophobicContact CE2-CB 4.19Å; K581-D637 IonicContact NZ-OD2 2.69Å; K581-D637 PolarHBondContact NZ-OD2 3.36Å; A619-D637 WeakPolarHBondContact CA-OD1 3.49Å; A619-D637 WeakPolarHBondContact CB-OD1 3.39Å; D637-S649 CarbonylContact O-C 3.54Å; D637-S649 VanDerWaalsContact O-CA 3.26Å; D637-S649 WeakPolarHBondContact O-CA 3.4Å; D637-N650 PolarHBondContact N-O 2.81Å; D637-N650 PolarHBondContact O-N 2.88Å
638	I	83.4	Confident	76.5	Confident	2 Å²	2	14.9 Å²	14.9	1%	0.01	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	117.1	-164.5	-45.5	-173.6	0	0	0	110.5	S617 S618 L636 Y640 L646 R648 M863	S617-I638 CarbonylContact C-O 3.57Å; S617-I638 VanDerWaalsContact CA-O 3.26Å; S617-I638 WeakPolarHBondContact CA-O 3.4Å; S617-I638 WeakPolarHBondContact CB-O 3.35Å; S618-I638 PolarHBondContact N-O 2.99Å; S618-I638 PolarHBondContact O-N 3.31Å; S618-I638 VanDerWaalsContact O-O 3.09Å; L636-I638 HydrophobicContact CD1-CD1 4.32Å; L636-I638 HydrophobicContact CD1-CG1 4.23Å; L636-I638 HydrophobicContact CD2-CD1 3.92Å; L636-I638 HydrophobicContact CG-CD1 3.85Å; L636-I638 HydrophobicContact CG-CG1 3.92Å; I638-Y640 HydrophobicContact CB-CE2 4.27Å; I638-Y640 HydrophobicContact CG2-CD2 4.09Å; I638-Y640 HydrophobicContact CG2-CE2 3.25Å; I638-L646 HydrophobicContact CB-CD1 4.46Å; I638-L646 HydrophobicContact CG2-CD1 3.29Å; I638-L646 HydrophobicContact CG2-CD2 3.5Å; I638-L646 HydrophobicContact CG2-CG 4.01Å; I638-R648 CarbonylContact C-O 3.47Å; I638-R648 WeakPolarHBondContact CA-O 3.43Å; I638-M863 HydrophobicContact CD1-CE 3.82Å; I638-M863 HydrophobicContact CD1-SD 3.59Å; I638-M863 VanDerWaalsContact CD1-SD 3.59Å
639	L	83.8	Confident	76.9	Confident	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.5	179.9	169.4	69.2	0	0	0	109.7	K540 A544 E573 Y577 S617 L646 R647 R648	K540-L639 HydrophobicContact CB-CD2 4.35Å; A544-L639 HydrophobicContact CB-CD2 4.01Å; E573-L639 HydrophobicContact CB-CD1 4.31Å; Y577-L639 HydrophobicContact CD2-CB 3.72Å; Y577-L639 HydrophobicContact CD2-CD1 4.36Å; Y577-L639 HydrophobicContact CE2-CB 4.05Å; Y577-L639 HydrophobicContact CG-CB 4.18Å; Y577-L639 HydrophobicContact CG-CD1 4Å; S617-L639 WeakPolarHBondContact OG-CA 3.36Å; L639-L646 WeakPolarHBondContact O-CD1 3.23Å; L639-R647 CarbonylContact O-C 3.51Å; L639-R647 WeakPolarHBondContact O-CA 3.43Å; L639-R647 PolarHBondContact O-N 2.89Å; L639-R648 HydrophobicContact CB-CB 4.11Å; L639-R648 HydrophobicContact CD2-CB 4.23Å; L639-R648 PolarHBondContact N-O 2.89Å; L639-R648 PolarHBondContact O-N 2.88Å
640	Y	81.9	Confident	77.1	Confident	1 Å²	1	8.1 Å²	8.1	0%	0.004	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	168.6	177.5	-69.6	-104.6	0	0	0	112.6	E573 S616 S617 I638 G644 I645 L646 F672 L673 N674	E573-Y640 WeakPolarHBondContact CB-O 3.42Å; E573-Y640 WeakPolarHBondContact CG-O 3.39Å; S616-Y640 VanDerWaalsContact C-CD2 3.42Å; S616-Y640 WeakPolarHBondContact O-CD2 3.42Å; S616-Y640 WeakPolarHBondContact O-CE2 3.45Å; S617-Y640 PolarHBondContact OG-N 3.06Å; I638-Y640 HydrophobicContact CB-CE2 4.27Å; I638-Y640 HydrophobicContact CG2-CD2 4.09Å; I638-Y640 HydrophobicContact CG2-CE2 3.25Å; Y640-G644 VanDerWaalsContact CD1-O 3.26Å; Y640-G644 WeakPolarHBondContact CD1-O 3.49Å; Y640-I645 CarbonylContact C-O 3.12Å; Y640-I645 VanDerWaalsContact CA-O 3.25Å; Y640-I645 WeakPolarHBondContact CA-O 3.46Å; Y640-I645 WeakPolarHBondContact CB-O 3.35Å; Y640-I645 VanDerWaalsContact CD1-C 3.43Å; Y640-I645 WeakPolarHBondContact CD1-O 3.49Å; Y640-L646 VanDerWaalsContact CD1-CA 3.44Å; Y640-L646 HydrophobicContact CD1-CB 3.82Å; Y640-L646 HydrophobicContact CD2-CD1 4.46Å; Y640-L646 HydrophobicContact CE1-CB 3.45Å; Y640-L646 VanDerWaalsContact CE1-CB 3.45Å; Y640-L646 HydrophobicContact CE1-CG 4.42Å; Y640-L646 HydrophobicContact CE2-CB 4.5Å; Y640-L646 HydrophobicContact CE2-CD1 4.28Å; Y640-L646 HydrophobicContact CG-CB 4.45Å; Y640-F672 WeakPolarHBondContact CE1-O 3.39Å; Y640-F672 PolarHBondContact OH-O 3.32Å; Y640-L673 VanDerWaalsContact CE1-C 3.41Å; Y640-L673 PolarHBondContact OH-O 2.89Å; Y640-N674 HydrophobicContact CE1-CB 3.97Å; Y640-N674 HydrophobicContact CE2-CB 4.04Å; Y640-N674 PolarHBondContact OH-ND2 2.89Å
641	S	77.6	Confident	77.3	Confident	1 Å²	1	8.1 Å²	8.1	1%	0.007	5%	0.054	C	C	.	.			trans	-89.4	165.8	158.4	50	0	0	0	0	110.5	E573 S643 G644 I645 E707 D715	E573-S641 WeakPolarHBondContact CG-O 3.1Å; S641-S643 PolarHBondContact O-N 2.99Å; S641-S643 PolarHBondContact OG-OG 3.03Å; S641-G644 WeakPolarHBondContact O-CA 3.33Å; S641-G644 PolarHBondContact O-N 3.38Å; S641-I645 PolarHBondContact N-O 3.21Å; S641-I645 PolarHBondContact OG-N 3.03Å; S641-I645 PolarHBondContact OG-O 2.7Å; S641-E707 PolarHBondContact OG-OE1 2.85Å; S641-D715 WeakPolarHBondContact CA-OD2 3.26Å; S641-D715 WeakPolarHBondContact CB-OD2 3.32Å
642	G	72.6	Confident	77.2	Confident	34 Å²	34	6.4 Å²	6.4	35%	0.351	4%	0.043	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-20.5	179	0	0	0	0	0	114.4	G644 D715	G642-G644 PolarHBondContact O-N 2.83Å; G642-D715 WeakPolarHBondContact CA-OD1 3.12Å; G642-D715 VanDerWaalsContact N-CG 3.32Å; G642-D715 PolarHBondContact N-OD1 2.83Å; G642-D715 PolarHBondContact N-OD2 2.93Å
643	S	68.1	Low	77	Confident	13 Å²	13	6.4 Å²	6.4	9%	0.091	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-5.4	167.6	63.5	0	0	0	0	113.9	S641 I645 E707	S641-S643 PolarHBondContact O-N 2.99Å; S641-S643 PolarHBondContact OG-OG 3.03Å; S643-I645 VanDerWaalsContact C-N 3.3Å; S643-E707 WeakPolarHBondContact OG-CG 3.5Å; S643-E707 PolarHBondContact OG-OE1 3Å
644	G	68.7	Low	76.7	Confident	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.047	C	C	.	.	S	Bend	trans	77.8	11.5	-174.6	0	0	0	0	0	113.6	Y640 S641 G642 L673	Y640-G644 VanDerWaalsContact CD1-O 3.26Å; Y640-G644 WeakPolarHBondContact CD1-O 3.49Å; S641-G644 WeakPolarHBondContact O-CA 3.33Å; S641-G644 PolarHBondContact O-N 3.38Å; G642-G644 PolarHBondContact O-N 2.83Å; G644-L673 WeakPolarHBondContact O-CA 3.43Å; G644-L673 WeakPolarHBondContact O-CD2 3.26Å
645	I	69.7	Low	76.2	Confident	5 Å²	5	7.6 Å²	7.6	3%	0.026	5%	0.046	C	C	.	.			trans	-86.7	138	176.7	-68.1	176.5	0	0	0	109.7	Y640 S641 S643 R647 V671 F672 L673 L706 E707 I710	Y640-I645 CarbonylContact C-O 3.12Å; Y640-I645 VanDerWaalsContact CA-O 3.25Å; Y640-I645 WeakPolarHBondContact CA-O 3.46Å; Y640-I645 WeakPolarHBondContact CB-O 3.35Å; Y640-I645 VanDerWaalsContact CD1-C 3.43Å; Y640-I645 WeakPolarHBondContact CD1-O 3.49Å; S641-I645 PolarHBondContact N-O 3.21Å; S641-I645 PolarHBondContact OG-N 3.03Å; S641-I645 PolarHBondContact OG-O 2.7Å; S643-I645 VanDerWaalsContact C-N 3.3Å; I645-R647 PolarHBondContact O-N 3.35Å; I645-V671 HydrophobicContact CG2-CG2 4.35Å; I645-F672 HydrophobicContact CB-CE2 4.48Å; I645-F672 HydrophobicContact CD1-CE2 4.18Å; I645-F672 HydrophobicContact CG1-CD2 4.38Å; I645-F672 HydrophobicContact CG1-CE2 3.82Å; I645-F672 HydrophobicContact CG2-CD2 4.16Å; I645-F672 HydrophobicContact CG2-CE2 4.16Å; I645-L673 HydrophobicContact CG1-CD2 3.94Å; I645-L706 HydrophobicContact CD1-CB 4.21Å; I645-E707 HydrophobicContact CD1-CB 4.47Å; I645-E707 HydrophobicContact CD1-CG 3.99Å; I645-I710 HydrophobicContact CD1-CD1 3.9Å; I645-I710 HydrophobicContact CD1-CG1 4.4Å; I645-I710 HydrophobicContact CG1-CD1 4.16Å
646	L	70.4	Confident	75.8	Confident	8 Å²	8	8.8 Å²	8.8	4%	0.042	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	116.2	-177.2	167	43	0	0	0	109.8	I638 L639 Y640 R648 Q670 V671 F672	I638-L646 HydrophobicContact CB-CD1 4.46Å; I638-L646 HydrophobicContact CG2-CD1 3.29Å; I638-L646 HydrophobicContact CG2-CD2 3.5Å; I638-L646 HydrophobicContact CG2-CG 4.01Å; L639-L646 WeakPolarHBondContact O-CD1 3.23Å; Y640-L646 VanDerWaalsContact CD1-CA 3.44Å; Y640-L646 HydrophobicContact CD1-CB 3.82Å; Y640-L646 HydrophobicContact CD2-CD1 4.46Å; Y640-L646 HydrophobicContact CE1-CB 3.45Å; Y640-L646 VanDerWaalsContact CE1-CB 3.45Å; Y640-L646 HydrophobicContact CE1-CG 4.42Å; Y640-L646 HydrophobicContact CE2-CB 4.5Å; Y640-L646 HydrophobicContact CE2-CD1 4.28Å; Y640-L646 HydrophobicContact CG-CB 4.45Å; L646-R648 WeakPolarHBondContact CD1-O 3.45Å; L646-Q670 CarbonylContact O-C 3.55Å; L646-Q670 VanDerWaalsContact O-O 3.09Å; L646-V671 VanDerWaalsContact CD2-C 3.45Å; L646-V671 WeakPolarHBondContact CD2-O 3.37Å; L646-V671 WeakPolarHBondContact O-CA 3.46Å; L646-V671 PolarHBondContact O-N 2.81Å; L646-V671 VanDerWaalsContact O-N 3.16Å; L646-F672 VanDerWaalsContact CB-O 3.31Å; L646-F672 WeakPolarHBondContact CB-O 3.47Å
647	R	73.3	Confident	75.3	Confident	5 Å²	5	9 Å²	9	2%	0.019	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-3.4	-173.3	-170.7	47.2	177.3	-96.5	-6.1	114.8	E539 L639 I645 Q670 E718	E539-R647 IonicContact OE2-NH2 2.65Å; L639-R647 CarbonylContact O-C 3.51Å; L639-R647 WeakPolarHBondContact O-CA 3.43Å; L639-R647 PolarHBondContact O-N 2.89Å; I645-R647 PolarHBondContact O-N 3.35Å; R647-Q670 VanDerWaalsContact C-CB 3.49Å; R647-Q670 WeakPolarHBondContact O-CB 3.39Å; R647-Q670 WeakPolarHBondContact O-CG 3.45Å; R647-Q670 PolarHBondContact O-NE2 2.93Å; R647-E718 IonicContact CZ-OE2 2.64Å; R647-E718 VanDerWaalsContact CZ-OE2 3.29Å; R647-E718 IonicContact NH1-OE2 2.7Å; R647-E718 PolarHBondContact NH1-OE2 2.83Å; R647-E718 IonicContact NH2-OE2 3.29Å
648	R	75.7	Confident	74.5	Confident	10 Å²	10	12.7 Å²	12.7	4%	0.038	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	122.4	150.7	-172.7	177.4	160.5	-142	-6.4	112.4	A545 D548 I638 L639 L646 N650 T669 Q670	A545-R648 VanDerWaalsContact N-NH1 3.16Å; D548-R648 IonicContact OD2-CZ 2.74Å; D548-R648 IonicContact OD2-NH1 3.31Å; D548-R648 PolarHBondContact OD2-NH1 3.23Å; D548-R648 IonicContact OD2-NH2 2.85Å; D548-R648 PolarHBondContact OD2-NH2 3.24Å; I638-R648 CarbonylContact C-O 3.47Å; I638-R648 WeakPolarHBondContact CA-O 3.43Å; L639-R648 HydrophobicContact CB-CB 4.11Å; L639-R648 HydrophobicContact CD2-CB 4.23Å; L639-R648 PolarHBondContact N-O 2.89Å; L639-R648 PolarHBondContact O-N 2.88Å; L646-R648 WeakPolarHBondContact CD1-O 3.45Å; R648-N650 VanDerWaalsContact CZ-OD1 3.26Å; R648-N650 PolarHBondContact NE-ND2 3.02Å; R648-N650 VanDerWaalsContact NE-ND2 3.12Å; R648-N650 PolarHBondContact NE-OD1 2.74Å; R648-N650 PolarHBondContact NH2-ND2 2.78Å; R648-N650 PolarHBondContact NH2-OD1 2.93Å; R648-T669 CarbonylContact C-O 3.58Å; R648-T669 WeakPolarHBondContact CA-O 3.2Å; R648-T669 WeakPolarHBondContact CG-O 3.49Å; R648-Q670 HydrophobicContact CB-CG 4.37Å
649	S	76.3	Confident	73.6	Confident	4 Å²	4	16.7 Å²	16.7	3%	0.028	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	139.7	162.4	139.7	0	0	0	0	109.7	D637 T669	D637-S649 CarbonylContact O-C 3.54Å; D637-S649 VanDerWaalsContact O-CA 3.26Å; D637-S649 WeakPolarHBondContact O-CA 3.4Å; S649-T669 WeakPolarHBondContact CB-OG1 3.26Å; S649-T669 PolarHBondContact N-O 3.4Å; S649-T669 CarbonylContact O-C 3.6Å; S649-T669 WeakPolarHBondContact O-CA 3.39Å; S649-T669 PolarHBondContact O-N 2.83Å; S649-T669 PolarHBondContact O-OG1 3.21Å; S649-T669 PolarHBondContact OG-OG1 3.4Å
650	N	74.3	Confident	72.9	Confident	2 Å²	2	18.7 Å²	18.7	1%	0.011	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127.7	168.6	-44.5	-99.9	0	0	0	108.2	L636 D637 R648 V667 H668	L636-N650 WeakPolarHBondContact CA-O 3.47Å; D637-N650 PolarHBondContact N-O 2.81Å; D637-N650 PolarHBondContact O-N 2.88Å; R648-N650 VanDerWaalsContact CZ-OD1 3.26Å; R648-N650 PolarHBondContact NE-ND2 3.02Å; R648-N650 VanDerWaalsContact NE-ND2 3.12Å; R648-N650 PolarHBondContact NE-OD1 2.74Å; R648-N650 PolarHBondContact NH2-ND2 2.78Å; R648-N650 PolarHBondContact NH2-OD1 2.93Å; N650-V667 VanDerWaalsContact CA-O 3.25Å; N650-V667 WeakPolarHBondContact CA-O 3.22Å; N650-H668 PolarHBondContact OD1-ND1 3.37Å
651	M	75.4	Confident	72.1	Confident	2 Å²	2	24.2 Å²	24.2	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	126	163.3	-159.4	-136.9	-145.2	0	0	109.1	S635 L636 I653 L665 Q666 V667 V696 Q698 M865	S635-M651 VanDerWaalsContact O-CA 3.32Å; S635-M651 WeakPolarHBondContact O-CA 3.16Å; L636-M651 HydrophobicContact CD1-CB 4.26Å; L636-M651 HydrophobicContact CD1-CG 4.42Å; M651-I653 HydrophobicContact CE-CD1 3.79Å; M651-I653 HydrophobicContact CE-CG1 4.33Å; M651-I653 HydrophobicContact SD-CD1 3.61Å; M651-I653 HydrophobicContact SD-CG1 3.86Å; M651-L665 HydrophobicContact SD-CD2 3.61Å; M651-Q666 CarbonylContact O-C 3.41Å; M651-Q666 WeakPolarHBondContact O-CA 3.03Å; M651-V667 HydrophobicContact CB-CG2 4.34Å; M651-V667 PolarHBondContact N-O 3.35Å; M651-V667 VanDerWaalsContact N-O 3.13Å; M651-V667 PolarHBondContact O-N 3Å; M651-V696 HydrophobicContact CE-CG1 4.3Å; M651-Q698 HydrophobicContact CB-CB 4.1Å; M651-Q698 HydrophobicContact CB-CG 4.32Å; M651-Q698 VanDerWaalsContact CB-OE1 3.26Å; M651-Q698 HydrophobicContact CE-CB 4.29Å; M651-Q698 HydrophobicContact CG-CB 4.28Å; M651-Q698 HydrophobicContact SD-CB 3.44Å; M651-Q698 WeakPolarHBondContact SD-CB 3.42Å; M651-Q698 HydrophobicContact SD-CG 4.39Å; M651-Q698 PolarHBondContact SD-OE1 3.37Å; M651-Q698 VanDerWaalsContact SD-OE1 3.33Å; M651-M865 HydrophobicContact CE-CE 3.4Å; M651-M865 VanDerWaalsContact CE-CE 3.4Å; M651-M865 HydrophobicContact CE-SD 3.92Å
652	N	74.5	Confident	71.4	Confident	8 Å²	8	24.5 Å²	24.5	4%	0.043	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140	173.4	-42.9	-60.2	0	0	0	108.8	Y634 S635 Y654 L665 Q666	Y634-N652 CarbonylContact C-O 3.47Å; Y634-N652 WeakPolarHBondContact CA-O 3.41Å; S635-N652 PolarHBondContact N-O 3.28Å; S635-N652 PolarHBondContact O-N 3.4Å; S635-N652 WeakPolarHBondContact OG-CB 3.29Å; S635-N652 PolarHBondContact OG-ND2 2.75Å; N652-Y654 HydrophobicContact CB-CD2 4.45Å; N652-Y654 HydrophobicContact CB-CE2 3.58Å; N652-Y654 WeakPolarHBondContact CB-OH 3.46Å; N652-L665 WeakPolarHBondContact CA-O 3.1Å; N652-Q666 WeakPolarHBondContact OD1-CG 3.18Å; N652-Q666 PolarHBondContact OD1-NE2 3.1Å
653	I	74.9	Confident	70.7	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	120.5	173.8	-59.7	178.8	0	0	0	109.7	M624 T633 M651 G664 L665 F693 V696	M624-I653 HydrophobicContact SD-CD1 3.95Å; M624-I653 HydrophobicContact SD-CG1 4.48Å; M624-I653 HydrophobicContact SD-CG2 3.91Å; T633-I653 WeakPolarHBondContact O-CA 3.46Å; M651-I653 HydrophobicContact CE-CD1 3.79Å; M651-I653 HydrophobicContact CE-CG1 4.33Å; M651-I653 HydrophobicContact SD-CD1 3.61Å; M651-I653 HydrophobicContact SD-CG1 3.86Å; I653-G664 PolarHBondContact O-N 2.92Å; I653-L665 HydrophobicContact CB-CB 4.19Å; I653-L665 HydrophobicContact CD1-CD2 4.08Å; I653-L665 HydrophobicContact CG1-CD2 4.3Å; I653-L665 PolarHBondContact N-O 3.06Å; I653-L665 PolarHBondContact O-N 3.01Å; I653-F693 HydrophobicContact CG2-CB 3.93Å; I653-V696 HydrophobicContact CD1-CB 3.43Å; I653-V696 VanDerWaalsContact CD1-CB 3.43Å; I653-V696 HydrophobicContact CD1-CG1 3.12Å; I653-V696 HydrophobicContact CD1-CG2 4.42Å
654	Y	74.1	Confident	69.9	Low	51 Å²	51	23.1 Å²	23.1	20%	0.2	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.1	-177.3	-54.9	-80	0	0	0	110.2	S632 T633 N652 M661 L662 H663	S632-Y654 VanDerWaalsContact CA-O 3.3Å; S632-Y654 WeakPolarHBondContact CA-O 3.39Å; T633-Y654 PolarHBondContact N-O 3.12Å; T633-Y654 VanDerWaalsContact N-O 3.11Å; T633-Y654 PolarHBondContact O-N 3.42Å; N652-Y654 HydrophobicContact CB-CD2 4.45Å; N652-Y654 HydrophobicContact CB-CE2 3.58Å; N652-Y654 WeakPolarHBondContact CB-OH 3.46Å; Y654-M661 HydrophobicContact CD1-CE 4.38Å; Y654-M661 HydrophobicContact CD1-CG 3.9Å; Y654-M661 HydrophobicContact CD1-SD 3.36Å; Y654-M661 WeakPolarHBondContact CD1-SD 3.42Å; Y654-M661 HydrophobicContact CE1-SD 4.01Å; Y654-M661 HydrophobicContact CG-CE 4.18Å; Y654-M661 HydrophobicContact CG-CG 4.32Å; Y654-M661 HydrophobicContact CG-SD 3.75Å; Y654-L662 WeakPolarHBondContact CA-O 3.32Å; Y654-H663 AromaticContact CD1-CD2 3.57Å; Y654-H663 AromaticContact CD1-NE2 3.9Å; Y654-H663 AromaticContact CE1-CD2 3.25Å; Y654-H663 WeakPolarHBondContact CE1-CD2 3.36Å; Y654-H663 AromaticContact CE1-CE1 3.69Å; Y654-H663 AromaticContact CE1-CG 3.87Å; Y654-H663 AromaticContact CE1-NE2 3.1Å; Y654-H663 WeakPolarHBondContact CE1-NE2 3.29Å; Y654-H663 AromaticContact CZ-CD2 3.94Å; Y654-H663 AromaticContact CZ-NE2 3.37Å; Y654-H663 PolarHBondContact OH-NE2 2.89Å
655	G	73	Confident	68.7	Low	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	113.8	167.2	0	0	0	0	0	110	L662	G655-L662 PolarHBondContact N-O 3.34Å; G655-L662 PolarHBondContact O-N 3.03Å
656	A	74.1	Confident	67.2	Low	33 Å²	33	23.1 Å²	23.1	27%	0.273	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	127.6	-179.9	0	0	0	0	0	111.4	V630 T631 S660	V630-A656 WeakPolarHBondContact CA-O 3.44Å; T631-A656 PolarHBondContact N-O 2.66Å; T631-A656 PolarHBondContact O-N 2.84Å; A656-S660 CarbonylContact C-O 3.59Å; A656-S660 VanDerWaalsContact CA-O 3.27Å; A656-S660 WeakPolarHBondContact CA-O 3.36Å
657	S	74.8	Confident	65.7	Low	5 Å²	5	22.8 Å²	22.8	4%	0.035	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	142.4	174.1	-169.2	0	0	0	0	111.3	N244 D629 G659 S660	N244-S657 PolarHBondContact O-OG 2.77Å; D629-S657 WeakPolarHBondContact O-CB 3.46Å; D629-S657 PolarHBondContact O-OG 3.02Å; S657-G659 PolarHBondContact O-N 3.1Å; S657-S660 PolarHBondContact N-O 3.16Å; S657-S660 PolarHBondContact O-N 3.31Å; S657-S660 VanDerWaalsContact O-O 3.14Å
658	Q	67.6	Low	63.8	Low	82 Å²	82	23.4 Å²	23.4	38%	0.383	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	26.5	177.2	-62.2	-178.1	49.1	0	0	115.2	N214 N244 S660	N214-Q658 PolarHBondContact ND2-OE1 3.24Å; N244-Q658 PolarHBondContact OD1-NE2 2.83Å; Q658-S660 VanDerWaalsContact C-N 3.34Å
659	G	64.9	Low	62.4	Low	87 Å²	87	23.1 Å²	23.1	90%	0.897	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.2	-4.6	-179.1	0	0	0	0	0	114.5	S657	S657-G659 PolarHBondContact O-N 3.1Å
660	S	68.9	Low	60.3	Low	41 Å²	41	23.1 Å²	23.1	29%	0.287	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	156.9	170.2	-55.6	0	0	0	0	111.4	T209 A656 S657 Q658	T209-S660 WeakPolarHBondContact OG1-CB 3.31Å; T209-S660 PolarHBondContact OG1-OG 3.32Å; A656-S660 CarbonylContact C-O 3.59Å; A656-S660 VanDerWaalsContact CA-O 3.27Å; A656-S660 WeakPolarHBondContact CA-O 3.36Å; S657-S660 PolarHBondContact N-O 3.16Å; S657-S660 PolarHBondContact O-N 3.31Å; S657-S660 VanDerWaalsContact O-O 3.14Å; Q658-S660 VanDerWaalsContact C-N 3.34Å
661	M	65.5	Low	58.3	Low	117 Å²	117	24.6 Å²	24.6	58%	0.576	15%	0.152	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	139.6	173.3	-178.4	175.6	-82.2	0	0	108.9	Y654	Y654-M661 HydrophobicContact CD1-CE 4.38Å; Y654-M661 HydrophobicContact CD1-CG 3.9Å; Y654-M661 HydrophobicContact CD1-SD 3.36Å; Y654-M661 WeakPolarHBondContact CD1-SD 3.42Å; Y654-M661 HydrophobicContact CE1-SD 4.01Å; Y654-M661 HydrophobicContact CG-CE 4.18Å; Y654-M661 HydrophobicContact CG-CG 4.32Å; Y654-M661 HydrophobicContact CG-SD 3.75Å
662	L	62.9	Low	56	Low	8 Å²	8	26.8 Å²	26.8	4%	0.042	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	135.2	167.1	-177.1	78.8	0	0	0	108.2	V210 L211 Y654 G655 G664 F693 L694 F732	V210-L662 HydrophobicContact CB-CB 3.91Å; V210-L662 HydrophobicContact CG1-CB 4.05Å; V210-L662 HydrophobicContact CG2-CB 3.99Å; L211-L662 HydrophobicContact CD1-CD1 4.48Å; L211-L662 HydrophobicContact CD1-CD2 4.04Å; L211-L662 HydrophobicContact CD2-CD2 3.88Å; L211-L662 HydrophobicContact CG-CD2 3.83Å; Y654-L662 WeakPolarHBondContact CA-O 3.32Å; G655-L662 PolarHBondContact N-O 3.34Å; G655-L662 PolarHBondContact O-N 3.03Å; L662-G664 PolarHBondContact O-N 3.19Å; L662-F693 HydrophobicContact CD2-CE2 4.03Å; L662-L694 HydrophobicContact CD2-CD2 4.38Å; L662-F732 HydrophobicContact CD2-CD1 4.06Å
663	H	57.8	Low	53.6	Low	17 Å²	17	26.4 Å²	26.4	8%	0.079	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	90.4	168	-144.4	169.4	0	0	0	108	Y654 L665 Q666 L730 F732 D733	Y654-H663 AromaticContact CD1-CD2 3.57Å; Y654-H663 AromaticContact CD1-NE2 3.9Å; Y654-H663 AromaticContact CE1-CD2 3.25Å; Y654-H663 WeakPolarHBondContact CE1-CD2 3.36Å; Y654-H663 AromaticContact CE1-CE1 3.69Å; Y654-H663 AromaticContact CE1-CG 3.87Å; Y654-H663 AromaticContact CE1-NE2 3.1Å; Y654-H663 WeakPolarHBondContact CE1-NE2 3.29Å; Y654-H663 AromaticContact CZ-CD2 3.94Å; Y654-H663 AromaticContact CZ-NE2 3.37Å; Y654-H663 PolarHBondContact OH-NE2 2.89Å; H663-L665 VanDerWaalsContact C-N 3.31Å; H663-L665 PolarHBondContact CD2-O 2.85Å; H663-L665 PolarHBondContact NE2-O 3.29Å; H663-Q666 WeakPolarHBondContact CE1-CB 3.4Å; H663-Q666 VanDerWaalsContact CE1-CD 3.44Å; H663-Q666 VanDerWaalsContact NE2-CB 3.31Å; H663-Q666 WeakPolarHBondContact NE2-CB 3.47Å; H663-L730 HydrophobicContact CB-CD2 3.89Å; H663-F732 CarbonylContact O-C 3.57Å; H663-F732 VanDerWaalsContact O-CA 3.24Å; H663-F732 WeakPolarHBondContact O-CA 3.34Å; H663-F732 PolarHBondContact O-N 2.9Å; H663-D733 VanDerWaalsContact CB-OD1 3.29Å; H663-D733 WeakPolarHBondContact CB-OD1 3.48Å; H663-D733 PolarHBondContact N-OD2 2.86Å; H663-D733 PolarHBondContact O-N 2.74Å
664	G	50.5	Low	51.5	Low	1 Å²	1	26.4 Å²	26.4	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	-44.2	179.3	0	0	0	0	0	110.8	I653 L662 F732	I653-G664 PolarHBondContact O-N 2.92Å; L662-G664 PolarHBondContact O-N 3.19Å; G664-F732 PolarHBondContact O-N 3.19Å
665	L	43.6	Very low	49.6	Very low	2 Å²	2	24.6 Å²	24.6	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	138.8	176.3	178	77.6	0	0	0	110.4	M651 N652 I653 H663 V667 V696 F697 Q698 L730 L731	M651-L665 HydrophobicContact SD-CD2 3.61Å; N652-L665 WeakPolarHBondContact CA-O 3.1Å; I653-L665 HydrophobicContact CB-CB 4.19Å; I653-L665 HydrophobicContact CD1-CD2 4.08Å; I653-L665 HydrophobicContact CG1-CD2 4.3Å; I653-L665 PolarHBondContact N-O 3.06Å; I653-L665 PolarHBondContact O-N 3.01Å; H663-L665 VanDerWaalsContact C-N 3.31Å; H663-L665 PolarHBondContact CD2-O 2.85Å; H663-L665 PolarHBondContact NE2-O 3.29Å; L665-V667 HydrophobicContact CD1-CG2 3.66Å; L665-V667 HydrophobicContact CD2-CG2 3.62Å; L665-V667 HydrophobicContact CG-CG2 3.62Å; L665-V696 WeakPolarHBondContact CB-O 3.44Å; L665-V696 WeakPolarHBondContact CD2-O 3.49Å; L665-F697 HydrophobicContact CD1-CB 4.19Å; L665-F697 HydrophobicContact CD1-CD1 3.79Å; L665-F697 HydrophobicContact CD1-CG 4.39Å; L665-Q698 HydrophobicContact CD2-CB 4.29Å; L665-Q698 VanDerWaalsContact CD2-N 3.35Å; L665-L730 CarbonylContact C-O 2.91Å; L665-L730 WeakPolarHBondContact CA-O 3.45Å; L665-L731 HydrophobicContact CD1-CD2 3.62Å
666	Q	38.5	Very low	47.7	Very low	3 Å²	3	25.2 Å²	25.2	1%	0.014	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	143.7	149	147.2	171.6	88.3	0	0	110.3	M651 N652 H663 H668 L730	M651-Q666 CarbonylContact O-C 3.41Å; M651-Q666 WeakPolarHBondContact O-CA 3.03Å; N652-Q666 WeakPolarHBondContact OD1-CG 3.18Å; N652-Q666 PolarHBondContact OD1-NE2 3.1Å; H663-Q666 WeakPolarHBondContact CE1-CB 3.4Å; H663-Q666 VanDerWaalsContact CE1-CD 3.44Å; H663-Q666 VanDerWaalsContact NE2-CB 3.31Å; H663-Q666 WeakPolarHBondContact NE2-CB 3.47Å; Q666-H668 PolarHBondContact NE2-CE1 3.03Å; Q666-H668 VanDerWaalsContact NE2-CE1 3.3Å; Q666-H668 PolarHBondContact OE1-NE2 2.86Å; Q666-L730 HydrophobicContact CB-CB 4.13Å; Q666-L730 HydrophobicContact CB-CD2 4.34Å; Q666-L730 HydrophobicContact CG-CB 4.33Å; Q666-L730 PolarHBondContact N-O 3.3Å; Q666-L730 PolarHBondContact O-N 3.33Å
667	V	38	Very low	45.3	Very low	1 Å²	1	29.8 Å²	29.8	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	122.9	-179.4	-148.8	0	0	0	0	108	N650 M651 L665 T669 Q698 M727 S728	N650-V667 VanDerWaalsContact CA-O 3.25Å; N650-V667 WeakPolarHBondContact CA-O 3.22Å; M651-V667 HydrophobicContact CB-CG2 4.34Å; M651-V667 PolarHBondContact N-O 3.35Å; M651-V667 VanDerWaalsContact N-O 3.13Å; M651-V667 PolarHBondContact O-N 3Å; L665-V667 HydrophobicContact CD1-CG2 3.66Å; L665-V667 HydrophobicContact CD2-CG2 3.62Å; L665-V667 HydrophobicContact CG-CG2 3.62Å; V667-T669 HydrophobicContact CB-CG2 4.1Å; V667-T669 HydrophobicContact CG1-CG2 3.65Å; V667-Q698 HydrophobicContact CG2-CB 4.21Å; V667-Q698 VanDerWaalsContact CG2-O 3.25Å; V667-Q698 WeakPolarHBondContact CG2-O 3.02Å; V667-M727 HydrophobicContact CG1-CG 4.14Å; V667-M727 HydrophobicContact CG1-SD 4.4Å; V667-S728 WeakPolarHBondContact CA-O 3.25Å
668	H	33.8	Very low	43	Very low	18 Å²	18	33.3 Å²	33.3	8%	0.083	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.1	176	-58.6	-70.2	0	0	0	110	K481 N650 Q666 S728	K481-H668 PolarHBondContact NZ-CD2 3.46Å; K481-H668 PolarHBondContact NZ-NE2 3.26Å; N650-H668 PolarHBondContact OD1-ND1 3.37Å; Q666-H668 PolarHBondContact NE2-CE1 3.03Å; Q666-H668 VanDerWaalsContact NE2-CE1 3.3Å; Q666-H668 PolarHBondContact OE1-NE2 2.86Å; H668-S728 PolarHBondContact N-O 2.9Å; H668-S728 PolarHBondContact O-N 2.7Å
669	T	47.2	Very low	40.9	Very low	3 Å²	3	37.8 Å²	37.8	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	178.7	-161.3	96.4	0	0	0	0	111.2	R648 S649 V667 A700	R648-T669 CarbonylContact C-O 3.58Å; R648-T669 WeakPolarHBondContact CA-O 3.2Å; R648-T669 WeakPolarHBondContact CG-O 3.49Å; S649-T669 WeakPolarHBondContact CB-OG1 3.26Å; S649-T669 PolarHBondContact N-O 3.4Å; S649-T669 CarbonylContact O-C 3.6Å; S649-T669 WeakPolarHBondContact O-CA 3.39Å; S649-T669 PolarHBondContact O-N 2.83Å; S649-T669 PolarHBondContact O-OG1 3.21Å; S649-T669 PolarHBondContact OG-OG1 3.4Å; V667-T669 HydrophobicContact CB-CG2 4.1Å; V667-T669 HydrophobicContact CG1-CG2 3.65Å; T669-A700 WeakPolarHBondContact CB-O 3.44Å; T669-A700 HydrophobicContact CG2-CB 3.64Å; T669-A700 WeakPolarHBondContact CG2-O 3.46Å; T669-A700 VanDerWaalsContact OG1-CB 3.29Å; T669-A700 WeakPolarHBondContact OG1-CB 3.43Å
670	Q	32.7	Very low	38.9	Very low	4 Å²	4	41.7 Å²	41.7	2%	0.019	19%	0.186	C	C	.	.			trans	-169.8	75.8	-175.7	-37	178.9	-56.1	0	0	113.6	N541 L646 R647 R648 I701 E702 A703 Q704	N541-Q670 PolarHBondContact ND2-NE2 2.95Å; L646-Q670 CarbonylContact O-C 3.55Å; L646-Q670 VanDerWaalsContact O-O 3.09Å; R647-Q670 VanDerWaalsContact C-CB 3.49Å; R647-Q670 WeakPolarHBondContact O-CB 3.39Å; R647-Q670 WeakPolarHBondContact O-CG 3.45Å; R647-Q670 PolarHBondContact O-NE2 2.93Å; R648-Q670 HydrophobicContact CB-CG 4.37Å; Q670-I701 CarbonylContact C-O 3.6Å; Q670-I701 VanDerWaalsContact CA-O 3.25Å; Q670-I701 WeakPolarHBondContact CA-O 3.19Å; Q670-I701 PolarHBondContact N-O 3.03Å; Q670-E702 HydrophobicContact CB-CB 4.49Å; Q670-E702 HydrophobicContact CB-CG 4.35Å; Q670-E702 HydrophobicContact CG-CB 4.24Å; Q670-E702 HydrophobicContact CG-CG 3.81Å; Q670-E702 CarbonylContact O-C 3.58Å; Q670-E702 PolarHBondContact OE1-OE1 2.93Å; Q670-A703 WeakPolarHBondContact O-CB 3.37Å; Q670-A703 PolarHBondContact O-N 3.44Å; Q670-A703 PolarHBondContact OE1-O 3.34Å; Q670-A703 VanDerWaalsContact OE1-O 3.1Å; Q670-Q704 VanDerWaalsContact OE1-CG 3.22Å
671	V	31.8	Very low	36.7	Very low	34 Å²	34	49 Å²	49	21%	0.206	21%	0.212	C	C	.	.			trans	179.7	142.5	161.2	133.7	0	0	0	0	110.9	I645 L646 I701 A703 L706	I645-V671 HydrophobicContact CG2-CG2 4.35Å; L646-V671 VanDerWaalsContact CD2-C 3.45Å; L646-V671 WeakPolarHBondContact CD2-O 3.37Å; L646-V671 WeakPolarHBondContact O-CA 3.46Å; L646-V671 PolarHBondContact O-N 2.81Å; L646-V671 VanDerWaalsContact O-N 3.16Å; V671-I701 HydrophobicContact CB-CB 4.47Å; V671-I701 HydrophobicContact CB-CG2 4.24Å; V671-I701 HydrophobicContact CG1-CB 4.34Å; V671-I701 HydrophobicContact CG1-CG2 4.19Å; V671-I701 PolarHBondContact N-O 3.31Å; V671-A703 HydrophobicContact CB-CB 4.25Å; V671-A703 HydrophobicContact CG2-CB 3.59Å; V671-L706 HydrophobicContact CG2-CD1 3.79Å
672	F	26.4	Very low	34.8	Very low	47 Å²	47	48.9 Å²	48.9	21%	0.206	22%	0.218	C	C	.	.			cis	-136	-167.3	5.9	-142	-152.1	0	0	0	114.9	Y640 I645 L646 V852	Y640-F672 WeakPolarHBondContact CE1-O 3.39Å; Y640-F672 PolarHBondContact OH-O 3.32Å; I645-F672 HydrophobicContact CB-CE2 4.48Å; I645-F672 HydrophobicContact CD1-CE2 4.18Å; I645-F672 HydrophobicContact CG1-CD2 4.38Å; I645-F672 HydrophobicContact CG1-CE2 3.82Å; I645-F672 HydrophobicContact CG2-CD2 4.16Å; I645-F672 HydrophobicContact CG2-CE2 4.16Å; L646-F672 VanDerWaalsContact CB-O 3.31Å; L646-F672 WeakPolarHBondContact CB-O 3.47Å; F672-V852 HydrophobicContact CD1-CG1 4.42Å
673	L	24.6	Very low	33.1	Very low	0 Å²	0	56 Å²	56	0%	0	25%	0.251	C	S	.	.			trans	-39.8	172.8	-161.5	-37.3	176.7	0	0	0	123	Y640 G644 I645 V852 F854 F859 V861	Y640-L673 VanDerWaalsContact CE1-C 3.41Å; Y640-L673 PolarHBondContact OH-O 2.89Å; G644-L673 WeakPolarHBondContact O-CA 3.43Å; G644-L673 WeakPolarHBondContact O-CD2 3.26Å; I645-L673 HydrophobicContact CG1-CD2 3.94Å; L673-V852 HydrophobicContact CB-CG1 4.06Å; L673-V852 HydrophobicContact CD1-CG1 3.62Å; L673-V852 HydrophobicContact CG-CG1 3.97Å; L673-F854 HydrophobicContact CD1-CB 3.57Å; L673-F854 HydrophobicContact CD1-CG 4.37Å; L673-F859 HydrophobicContact CB-CB 3.94Å; L673-F859 HydrophobicContact CB-CD2 3.87Å; L673-F859 HydrophobicContact CB-CG 4.26Å; L673-F859 HydrophobicContact CD1-CB 3.99Å; L673-F859 HydrophobicContact CD1-CD1 4.36Å; L673-F859 HydrophobicContact CD1-CD2 3.53Å; L673-F859 HydrophobicContact CD1-CE2 3.95Å; L673-F859 HydrophobicContact CD1-CG 3.71Å; L673-F859 HydrophobicContact CD2-CD2 4Å; L673-F859 HydrophobicContact CD2-CE2 4.13Å; L673-F859 HydrophobicContact CG-CD2 3.97Å; L673-F859 HydrophobicContact CG-CE2 4.49Å; L673-F859 HydrophobicContact CG-CG 4.48Å; L673-V861 HydrophobicContact CB-CG2 3.84Å; L673-V861 WeakPolarHBondContact O-CB 3.48Å; L673-V861 WeakPolarHBondContact O-CG2 3.37Å
674	N	30.5	Very low	31.6	Very low	1 Å²	1	62.8 Å²	62.8	1%	0.005	28%	0.28	C	S	.	.			trans	-172.5	165.5	177.9	-120.5	-36.4	0	0	0	123.7	S616 Y640 F859 M863 M912	S616-N674 PolarHBondContact OG-O 2.91Å; Y640-N674 HydrophobicContact CE1-CB 3.97Å; Y640-N674 HydrophobicContact CE2-CB 4.04Å; Y640-N674 PolarHBondContact OH-ND2 2.89Å; N674-F859 CarbonylContact C-O 3.58Å; N674-M863 WeakPolarHBondContact ND2-CE 3.49Å; N674-M912 WeakPolarHBondContact OD1-CE 3.42Å
675	F	34.8	Very low	30.3	Very low	13 Å²	13	70.4 Å²	70.4	6%	0.057	32%	0.321	C	S	.	.			trans	104.5	148.3	148.2	-79.8	-156.9	0	0	0	124.7	K576 G615 S616 S617 F859 M912	K576-F675 HydrophobicContact CG-CE1 4.41Å; G615-F675 WeakPolarHBondContact O-CD1 3.38Å; G615-F675 WeakPolarHBondContact O-CE1 3.35Å; S616-F675 VanDerWaalsContact O-CE1 3.31Å; S616-F675 WeakPolarHBondContact O-CE1 3.46Å; S616-F675 WeakPolarHBondContact O-CE2 3.39Å; S616-F675 WeakPolarHBondContact O-CZ 3.34Å; S617-F675 VanDerWaalsContact C-CZ 3.47Å; S617-F675 VanDerWaalsContact O-CE1 3.29Å; S617-F675 WeakPolarHBondContact O-CE1 3.26Å; S617-F675 WeakPolarHBondContact O-CZ 3.21Å; F675-F859 PolarHBondContact N-O 3.38Å; F675-M912 HydrophobicContact CD2-CE 3.87Å
676	F	32.2	Very low	29.8	Very low	13 Å²	13	73.8 Å²	73.8	6%	0.057	34%	0.339	C	S	.	.			cis	-165.9	-179.7	-14.2	-116	8.7	0	0	0	118.7	H906 E908 M912 R915	F676-H906 AromaticContact CE1-CD2 3.41Å; F676-H906 VanDerWaalsContact CE1-CD2 3.41Å; F676-H906 WeakPolarHBondContact CE1-CD2 3.37Å; F676-H906 AromaticContact CE1-NE2 3.43Å; F676-H906 WeakPolarHBondContact CE1-NE2 3.32Å; F676-H906 AromaticContact CZ-CD2 3.33Å; F676-H906 WeakPolarHBondContact CZ-CD2 3.44Å; F676-H906 AromaticContact CZ-NE2 3.57Å; F676-E908 HydrophobicContact CB-CB 4.47Å; F676-E908 HydrophobicContact CD1-CB 3.32Å; F676-E908 WeakPolarHBondContact CD1-O 3.38Å; F676-E908 HydrophobicContact CD2-CB 3.37Å; F676-E908 HydrophobicContact CD2-CG 3.85Å; F676-E908 WeakPolarHBondContact CD2-OE1 3.28Å; F676-E908 HydrophobicContact CE1-CB 3.18Å; F676-E908 HydrophobicContact CE1-CG 4.46Å; F676-E908 HydrophobicContact CE2-CB 3.21Å; F676-E908 HydrophobicContact CE2-CG 3.68Å; F676-E908 VanDerWaalsContact CE2-OE1 3.25Å; F676-E908 WeakPolarHBondContact CE2-OE1 3.45Å; F676-E908 WeakPolarHBondContact CE2-OE2 3.13Å; F676-E908 HydrophobicContact CG-CB 3.46Å; F676-E908 VanDerWaalsContact CG-CB 3.46Å; F676-E908 HydrophobicContact CG-CG 4.35Å; F676-E908 HydrophobicContact CZ-CB 3.14Å; F676-E908 HydrophobicContact CZ-CG 4.03Å; F676-M912 VanDerWaalsContact CA-SD 3.57Å; F676-M912 HydrophobicContact CD1-CE 3.54Å; F676-M912 HydrophobicContact CD1-SD 3.62Å; F676-M912 HydrophobicContact CE1-CE 3.94Å; F676-M912 HydrophobicContact CE1-SD 4.38Å; F676-R915 PolarHBondContact O-NH2 3.31Å
677	Y	24.3	Very low	29.6	Very low	129 Å²	129	77.5 Å²	77.5	51%	0.506	37%	0.365	S	S	.	.			trans	80.2	137.6	163.1	-67.6	-90.4	0	0	0	122.1	E908 N911	Y677-E908 PolarHBondContact N-O 2.76Å; Y677-N911 WeakPolarHBondContact O-CB 3.45Å
678	H	26.2	Very low	29.7	Very low	78 Å²	78	82.8 Å²	82.8	36%	0.361	39%	0.386	S	S	.	.			cis	-160.9	178.9	-16.7	-150.3	84	0	0	0	115.2	N911	H678-N911 WeakPolarHBondContact CA-ND2 3.28Å; H678-N911 WeakPolarHBondContact CA-OD1 3.47Å; H678-N911 PolarHBondContact N-ND2 3.07Å; H678-N911 PolarHBondContact N-OD1 2.85Å; H678-N911 PolarHBondContact O-OD1 2.75Å
679	Y	23.2	Very low	30.4	Very low	177 Å²	177	82.5 Å²	82.5	69%	0.694	39%	0.386	S	S	*	.			trans	93.5	140.7	164.7	-98.7	-77.3	0	0	0	125.4	Q907	Y679-Q907 VanDerWaalsContact O-CD 3.28Å; Y679-Q907 PolarHBondContact O-NE2 3.33Å; Y679-Q907 PolarHBondContact O-OE1 2.74Å
680	Y	24	Very low	30.5	Very low	168 Å²	168	83 Å²	83	66%	0.659	39%	0.389	S	S	*	.			trans	-79.7	156.5	-155.9	-82.6	-105.6	0	0	0	121.6	Q907	Y680-Q907 VanDerWaalsContact N-OE1 3.08Å
681	F	21.7	Very low	31.4	Very low	194 Å²	194	83.2 Å²	83.2	85%	0.851	39%	0.39	S	S	*	.				-177.9	-173.1	107.8	-141.5	-107.5	0	0	0	114.7
682	V	25.6	Very low	32.2	Very low	115 Å²	115	81.8 Å²	81.8	70%	0.697	38%	0.381	S	S	*	.			trans	-146	145.1	-165.9	172.8	0	0	0	0	114.4
683	E	27.1	Very low	33.3	Very low	157 Å²	157	79.6 Å²	79.6	73%	0.734	37%	0.372	S	S	*	.			trans	-161.1	-163.2	144.5	-115.9	-154	164.1	0	0	117.7
684	K	26.4	Very low	34.3	Very low	160 Å²	160	79.8 Å²	79.8	70%	0.696	37%	0.373	S	S	*	.			trans	-110.9	147.3	-146.7	-55.2	142.2	-179.7	158.2	0	117
685	N	24.7	Very low	34.5	Very low	161 Å²	161	80 Å²	80	86%	0.861	37%	0.374	S	S	*	.			trans	174.5	102.9	134.3	-98.1	-47.1	0	0	0	112.5
686	L	32.6	Very low	34.8	Very low	73 Å²	73	79.5 Å²	79.5	38%	0.382	37%	0.372	S	S	.	.			trans	-126.7	-0.8	-158.6	-116.8	61.7	0	0	0	119	Q626 Y688	Q626-L686 HydrophobicContact CB-CD2 3.92Å; L686-Y688 VanDerWaalsContact C-N 3.3Å; L686-Y688 PolarHBondContact O-N 2.89Å; L686-Y688 VanDerWaalsContact O-N 3.11Å
687	S	34.5	Very low	35.3	Very low	81 Å²	81	79.1 Å²	79.1	57%	0.566	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-5.7	-165.4	-168.9	0	0	0	0	117.6
688	Y	40.5	Very low	35.7	Very low	113 Å²	113	73.5 Å²	73.5	44%	0.443	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	6.7	-175.4	-66.2	-77	0	0	0	113.5	L686 K894	L686-Y688 VanDerWaalsContact C-N 3.3Å; L686-Y688 PolarHBondContact O-N 2.89Å; L686-Y688 VanDerWaalsContact O-N 3.11Å; Y688-K894 PolarHBondContact OH-NZ 3.18Å
689	A	47.1	Very low	36.4	Very low	11 Å²	11	70.3 Å²	70.3	9%	0.091	33%	0.334	C	S	.	.			trans	-90.3	-1.1	-174.7	0	0	0	0	0	113.7	A625 L691 L692	A625-A689 HydrophobicContact CB-CB 3.62Å; A625-A689 WeakPolarHBondContact CB-O 3.3Å; A689-L691 PolarHBondContact O-N 2.83Å; A689-L692 HydrophobicContact CB-CD1 3.96Å; A689-L692 WeakPolarHBondContact O-CB 3.35Å; A689-L692 PolarHBondContact O-N 3.26Å
690	N	49.8	Very low	37	Very low	15 Å²	15	62.4 Å²	62.4	8%	0.08	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-25.5	-155.1	-52.6	-2.6	0	0	0	115.7	S627 V630 F693	S627-N690 WeakPolarHBondContact CB-OD1 3.15Å; S627-N690 VanDerWaalsContact OG-CG 3.3Å; S627-N690 PolarHBondContact OG-ND2 3.25Å; S627-N690 PolarHBondContact OG-OD1 2.95Å; V630-N690 HydrophobicContact CB-CB 4.34Å; V630-N690 WeakPolarHBondContact CG1-O 3.36Å; N690-F693 WeakPolarHBondContact O-CD1 3.41Å; N690-F693 WeakPolarHBondContact O-CE1 3.29Å
691	L	52.4	Low	38	Very low	7 Å²	7	56.4 Å²	56.4	4%	0.037	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	1.7	-176.5	-70	165.2	0	0	0	114	A245 H246 A689 F693 L694 F695 L819 F840	A245-L691 HydrophobicContact CB-CD2 3.68Å; H246-L691 HydrophobicContact CB-CD1 3.85Å; H246-L691 HydrophobicContact CB-CD2 4.34Å; H246-L691 HydrophobicContact CB-CG 4.33Å; A689-L691 PolarHBondContact O-N 2.83Å; L691-F693 HydrophobicContact CD2-CE1 4.29Å; L691-F693 PolarHBondContact O-N 3.46Å; L691-F693 VanDerWaalsContact O-N 3.12Å; L691-L694 HydrophobicContact CD2-CD1 3.69Å; L691-L694 WeakPolarHBondContact O-CB 3.35Å; L691-L694 PolarHBondContact O-N 3.18Å; L691-F695 WeakPolarHBondContact O-CD2 3.43Å; L691-L819 HydrophobicContact CB-CD2 4.04Å; L691-L819 HydrophobicContact CD1-CD2 3.95Å; L691-L819 HydrophobicContact CD2-CD2 4.34Å; L691-L819 HydrophobicContact CG-CD2 4.35Å; L691-F840 HydrophobicContact CD1-CD1 3.71Å; L691-F840 HydrophobicContact CD1-CE1 3.31Å; L691-F840 HydrophobicContact CD1-CZ 3.8Å
692	L	47.9	Very low	39.5	Very low	5 Å²	5	49.4 Å²	49.4	3%	0.026	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-55.7	-30.1	-179.7	-88.4	160.1	0	0	0	113.6	A689 L694 F695 V696 A844 K867 F870	A689-L692 HydrophobicContact CB-CD1 3.96Å; A689-L692 WeakPolarHBondContact O-CB 3.35Å; A689-L692 PolarHBondContact O-N 3.26Å; L692-L694 PolarHBondContact O-N 3.07Å; L692-L694 VanDerWaalsContact O-N 3.11Å; L692-F695 WeakPolarHBondContact O-CB 3.5Å; L692-F695 PolarHBondContact O-N 3.27Å; L692-V696 WeakPolarHBondContact O-CG2 3.43Å; L692-V696 PolarHBondContact O-N 3.01Å; L692-A844 HydrophobicContact CD2-CB 4.11Å; L692-K867 HydrophobicContact CD1-CD 3.89Å; L692-K867 HydrophobicContact CD2-CD 4.5Å; L692-K867 HydrophobicContact CD2-CG 4.37Å; L692-F870 HydrophobicContact CD1-CE1 3.97Å; L692-F870 HydrophobicContact CD1-CZ 3.95Å; L692-F870 HydrophobicContact CD2-CE1 4.04Å; L692-F870 HydrophobicContact CD2-CZ 4.25Å; L692-F870 HydrophobicContact CG-CE1 4.31Å; L692-F870 HydrophobicContact CG-CZ 4.13Å
693	F	50	Low	40.9	Very low	0 Å²	0	44 Å²	44	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-60.9	-19.4	176.5	77.3	-82.6	0	0	0	114.7	V210 A245 V630 S632 I653 L662 N690 L691 F695	V210-F693 HydrophobicContact CG1-CE2 4.23Å; V210-F693 HydrophobicContact CG1-CZ 4Å; A245-F693 HydrophobicContact CB-CE1 4.48Å; A245-F693 HydrophobicContact CB-CZ 4.19Å; V630-F693 HydrophobicContact CG1-CD1 4.02Å; V630-F693 HydrophobicContact CG1-CE1 3.75Å; V630-F693 HydrophobicContact CG2-CE1 4.35Å; S632-F693 WeakPolarHBondContact OG-CB 3.48Å; I653-F693 HydrophobicContact CG2-CB 3.93Å; L662-F693 HydrophobicContact CD2-CE2 4.03Å; N690-F693 WeakPolarHBondContact O-CD1 3.41Å; N690-F693 WeakPolarHBondContact O-CE1 3.29Å; L691-F693 HydrophobicContact CD2-CE1 4.29Å; L691-F693 PolarHBondContact O-N 3.46Å; L691-F693 VanDerWaalsContact O-N 3.12Å; F693-F695 VanDerWaalsContact C-N 3.35Å
694	L	45.2	Very low	42.6	Very low	5 Å²	5	38 Å²	38	3%	0.026	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-83.3	-13.6	174.5	-58.5	178.3	0	0	0	112.6	L211 L662 L691 L692 F697 F732 L769 L792 L819	L211-L694 HydrophobicContact CD2-CD2 3.8Å; L662-L694 HydrophobicContact CD2-CD2 4.38Å; L691-L694 HydrophobicContact CD2-CD1 3.69Å; L691-L694 WeakPolarHBondContact O-CB 3.35Å; L691-L694 PolarHBondContact O-N 3.18Å; L692-L694 PolarHBondContact O-N 3.07Å; L692-L694 VanDerWaalsContact O-N 3.11Å; L694-F697 WeakPolarHBondContact O-CE2 3.19Å; L694-F732 HydrophobicContact CD2-CD1 4.38Å; L694-F732 HydrophobicContact CD2-CE1 3.67Å; L694-L769 HydrophobicContact CB-CD1 4.43Å; L694-L769 HydrophobicContact CD1-CD1 4.27Å; L694-L769 HydrophobicContact CD2-CD1 4.27Å; L694-L792 WeakPolarHBondContact O-CD2 3.4Å; L694-L819 HydrophobicContact CD1-CD1 4.27Å; L694-L819 HydrophobicContact CD1-CD2 3.72Å
695	F	34.5	Very low	44.2	Very low	6 Å²	6	31 Å²	31	3%	0.026	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-19	-176.1	-73.9	-90.1	0	0	0	114.1	L691 L692 F693 F697 L792 N815 G817 L819 T842 A844	L691-F695 WeakPolarHBondContact O-CD2 3.43Å; L692-F695 WeakPolarHBondContact O-CB 3.5Å; L692-F695 PolarHBondContact O-N 3.27Å; F693-F695 VanDerWaalsContact C-N 3.35Å; F695-F697 WeakPolarHBondContact O-CD2 3.41Å; F695-F697 WeakPolarHBondContact O-CE2 3.5Å; F695-L792 HydrophobicContact CD1-CD1 4.14Å; F695-L792 HydrophobicContact CE1-CD1 4.19Å; F695-N815 PolarHBondContact O-ND2 2.76Å; F695-N815 PolarHBondContact O-OD1 3.1Å; F695-G817 VanDerWaalsContact CE1-C 3.46Å; F695-G817 VanDerWaalsContact CE1-O 3.29Å; F695-G817 WeakPolarHBondContact CE1-O 3.48Å; F695-L819 HydrophobicContact CE1-CB 3.91Å; F695-L819 HydrophobicContact CE2-CB 3.62Å; F695-L819 HydrophobicContact CE2-CD2 4.05Å; F695-L819 HydrophobicContact CE2-CG 4.5Å; F695-L819 HydrophobicContact CZ-CB 3.15Å; F695-L819 HydrophobicContact CZ-CD2 4.42Å; F695-L819 HydrophobicContact CZ-CG 4.41Å; F695-T842 HydrophobicContact CE1-CG2 4.49Å; F695-T842 HydrophobicContact CE2-CG2 3.46Å; F695-T842 VanDerWaalsContact CE2-CG2 3.46Å; F695-T842 HydrophobicContact CZ-CG2 3.31Å; F695-T842 WeakPolarHBondContact CZ-O 3.21Å; F695-A844 HydrophobicContact CB-CB 4.19Å; F695-A844 HydrophobicContact CD1-CB 3.67Å; F695-A844 HydrophobicContact CD2-CB 4.36Å; F695-A844 HydrophobicContact CE1-CB 3.99Å; F695-A844 HydrophobicContact CG-CB 3.83Å; F695-A844 HydrophobicContact CZ-CB 4.45Å
696	V	41.3	Very low	46.2	Very low	2 Å²	2	23.9 Å²	23.9	1%	0.012	13%	0.129	C	C	.	.			trans	-95.2	119.7	-166.4	-177.8	0	0	0	0	110.7	M624 M651 I653 L665 L692 N815 L846	M624-V696 HydrophobicContact CE-CG2 3.83Å; M624-V696 HydrophobicContact SD-CG2 4.4Å; M651-V696 HydrophobicContact CE-CG1 4.3Å; I653-V696 HydrophobicContact CD1-CB 3.43Å; I653-V696 VanDerWaalsContact CD1-CB 3.43Å; I653-V696 HydrophobicContact CD1-CG1 3.12Å; I653-V696 HydrophobicContact CD1-CG2 4.42Å; L665-V696 WeakPolarHBondContact CB-O 3.44Å; L665-V696 WeakPolarHBondContact CD2-O 3.49Å; L692-V696 WeakPolarHBondContact O-CG2 3.43Å; L692-V696 PolarHBondContact O-N 3.01Å; V696-N815 WeakPolarHBondContact CA-ND2 3.33Å; V696-L846 HydrophobicContact CB-CD2 4.21Å; V696-L846 HydrophobicContact CG1-CD2 3.3Å; V696-L846 HydrophobicContact CG2-CB 4.09Å; V696-L846 HydrophobicContact CG2-CD2 3.79Å; V696-L846 HydrophobicContact CG2-CG 4.41Å
697	F	41.9	Very low	47.9	Very low	5 Å²	5	20.6 Å²	20.6	2%	0.022	11%	0.112	C	C	.	.			trans	-131.7	103.1	175.9	-55.1	-88.4	0	0	0	107.3	L665 L694 F695 L731 F732 L792 I794 I796 N815	L665-F697 HydrophobicContact CD1-CB 4.19Å; L665-F697 HydrophobicContact CD1-CD1 3.79Å; L665-F697 HydrophobicContact CD1-CG 4.39Å; L694-F697 WeakPolarHBondContact O-CE2 3.19Å; F695-F697 WeakPolarHBondContact O-CD2 3.41Å; F695-F697 WeakPolarHBondContact O-CE2 3.5Å; F697-L731 HydrophobicContact CD1-CD1 4.09Å; F697-L731 HydrophobicContact CD1-CD2 3.56Å; F697-L731 HydrophobicContact CD1-CG 4.37Å; F697-L731 HydrophobicContact CE1-CB 4.36Å; F697-L731 HydrophobicContact CE1-CD1 3.95Å; F697-L731 HydrophobicContact CE1-CD2 3.82Å; F697-L731 HydrophobicContact CE1-CG 4.25Å; F697-F732 HydrophobicContact CE1-CE2 4.12Å; F697-F732 HydrophobicContact CE1-CZ 4.24Å; F697-F732 AromaticContact CZ-CE2 3.84Å; F697-F732 HydrophobicContact CZ-CE2 3.84Å; F697-F732 AromaticContact CZ-CZ 3.7Å; F697-F732 HydrophobicContact CZ-CZ 3.7Å; F697-L792 HydrophobicContact CE2-CD2 4.16Å; F697-L792 HydrophobicContact CZ-CD2 3.98Å; F697-I794 HydrophobicContact CD2-CD1 4.27Å; F697-I794 HydrophobicContact CD2-CG1 4.4Å; F697-I794 HydrophobicContact CD2-CG2 4.1Å; F697-I794 HydrophobicContact CE1-CD1 3.88Å; F697-I794 HydrophobicContact CE2-CD1 3.57Å; F697-I794 HydrophobicContact CE2-CG1 3.76Å; F697-I794 HydrophobicContact CE2-CG2 4.3Å; F697-I794 HydrophobicContact CZ-CD1 3.35Å; F697-I794 HydrophobicContact CZ-CG1 4.06Å; F697-I796 HydrophobicContact CB-CD1 3.29Å; F697-I796 HydrophobicContact CB-CG1 4.08Å; F697-I796 HydrophobicContact CG-CD1 3.99Å; F697-N815 WeakPolarHBondContact CD2-OD1 3.37Å; F697-N815 PolarHBondContact N-ND2 2.83Å; F697-N815 VanDerWaalsContact N-ND2 3.1Å; F697-N815 WeakPolarHBondContact O-CB 3.27Å
698	Q	33	Very low	49.2	Very low	11 Å²	11	20.2 Å²	20.2	5%	0.051	11%	0.109	C	C	.	.			trans	-74.5	138.9	165	178.6	165.3	-17.8	0	0	108.3	M651 L665 V667 A700	M651-Q698 HydrophobicContact CB-CB 4.1Å; M651-Q698 HydrophobicContact CB-CG 4.32Å; M651-Q698 VanDerWaalsContact CB-OE1 3.26Å; M651-Q698 HydrophobicContact CE-CB 4.29Å; M651-Q698 HydrophobicContact CG-CB 4.28Å; M651-Q698 HydrophobicContact SD-CB 3.44Å; M651-Q698 WeakPolarHBondContact SD-CB 3.42Å; M651-Q698 HydrophobicContact SD-CG 4.39Å; M651-Q698 PolarHBondContact SD-OE1 3.37Å; M651-Q698 VanDerWaalsContact SD-OE1 3.33Å; L665-Q698 HydrophobicContact CD2-CB 4.29Å; L665-Q698 VanDerWaalsContact CD2-N 3.35Å; V667-Q698 HydrophobicContact CG2-CB 4.21Å; V667-Q698 VanDerWaalsContact CG2-O 3.25Å; V667-Q698 WeakPolarHBondContact CG2-O 3.02Å; Q698-A700 HydrophobicContact CG-CB 4.32Å
699	V	40.2	Very low	50.3	Low	10 Å²	10	17.9 Å²	17.9	6%	0.061	10%	0.103	C	C	.	.			trans	-98.6	129.9	153.3	167.7	0	0	0	0	104.7	M727 F741 V762 I796 V813	V699-M727 HydrophobicContact CB-SD 4.14Å; V699-M727 HydrophobicContact CG1-SD 3.82Å; V699-M727 HydrophobicContact CG2-SD 3.88Å; V699-F741 HydrophobicContact CG1-CZ 4.1Å; V699-V762 HydrophobicContact CG2-CB 4.27Å; V699-V762 HydrophobicContact CG2-CG1 3.92Å; V699-V762 HydrophobicContact CG2-CG2 4.47Å; V699-I796 HydrophobicContact CG2-CG2 3.69Å; V699-V813 HydrophobicContact CB-CG1 3.8Å; V699-V813 HydrophobicContact CB-CG2 4.1Å; V699-V813 HydrophobicContact CG2-CG1 4.26Å
700	A	35.8	Very low	51	Low	12 Å²	12	19.9 Å²	19.9	10%	0.099	11%	0.112	C	C	.	.			trans	-139.4	162.5	155.5	0	0	0	0	0	108.4	T669 Q698	T669-A700 WeakPolarHBondContact CB-O 3.44Å; T669-A700 HydrophobicContact CG2-CB 3.64Å; T669-A700 WeakPolarHBondContact CG2-O 3.46Å; T669-A700 VanDerWaalsContact OG1-CB 3.29Å; T669-A700 WeakPolarHBondContact OG1-CB 3.43Å; Q698-A700 HydrophobicContact CG-CB 4.32Å
701	I	46.7	Very low	51.6	Low	41 Å²	41	23.8 Å²	23.8	21%	0.21	15%	0.147	C	C	.	.			trans	-103.5	124.8	-162.5	-67.4	145.2	0	0	0	107.7	Q670 V671 A725 G726 F741	Q670-I701 CarbonylContact C-O 3.6Å; Q670-I701 VanDerWaalsContact CA-O 3.25Å; Q670-I701 WeakPolarHBondContact CA-O 3.19Å; Q670-I701 PolarHBondContact N-O 3.03Å; V671-I701 HydrophobicContact CB-CB 4.47Å; V671-I701 HydrophobicContact CB-CG2 4.24Å; V671-I701 HydrophobicContact CG1-CB 4.34Å; V671-I701 HydrophobicContact CG1-CG2 4.19Å; V671-I701 PolarHBondContact N-O 3.31Å; I701-A725 HydrophobicContact CG2-CB 3.98Å; I701-G726 CarbonylContact C-O 3.46Å; I701-G726 WeakPolarHBondContact CA-O 3.22Å; I701-F741 HydrophobicContact CB-CD2 4.25Å; I701-F741 HydrophobicContact CB-CE2 4.17Å; I701-F741 HydrophobicContact CG1-CD2 3.82Å; I701-F741 HydrophobicContact CG1-CE2 3.53Å; I701-F741 HydrophobicContact CG1-CZ 4.31Å; I701-F741 HydrophobicContact CG2-CD2 3.98Å; I701-F741 HydrophobicContact CG2-CE2 4.4Å
702	E	51.5	Low	52.2	Low	48 Å²	48	25 Å²	25	22%	0.224	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	148.9	155.3	175.6	157.4	-137.2	0	0	110.2	Q670 F724 A725 G726	Q670-E702 HydrophobicContact CB-CB 4.49Å; Q670-E702 HydrophobicContact CB-CG 4.35Å; Q670-E702 HydrophobicContact CG-CB 4.24Å; Q670-E702 HydrophobicContact CG-CG 3.81Å; Q670-E702 CarbonylContact O-C 3.58Å; Q670-E702 PolarHBondContact OE1-OE1 2.93Å; E702-F724 HydrophobicContact CG-CD1 4.15Å; E702-F724 HydrophobicContact CG-CE1 3.79Å; E702-A725 CarbonylContact O-C 2.96Å; E702-A725 WeakPolarHBondContact O-CA 3.25Å; E702-A725 WeakPolarHBondContact O-CB 3.37Å; E702-G726 PolarHBondContact N-O 3.26Å; E702-G726 PolarHBondContact O-N 2.78Å
703	A	56.6	Low	53.2	Low	2 Å²	2	30.3 Å²	30.3	2%	0.017	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.6	154.1	176.9	0	0	0	0	0	113.4	Q670 V671 L706 F724 A725	Q670-A703 WeakPolarHBondContact O-CB 3.37Å; Q670-A703 PolarHBondContact O-N 3.44Å; Q670-A703 PolarHBondContact OE1-O 3.34Å; Q670-A703 VanDerWaalsContact OE1-O 3.1Å; V671-A703 HydrophobicContact CB-CB 4.25Å; V671-A703 HydrophobicContact CG2-CB 3.59Å; A703-L706 HydrophobicContact CB-CD1 3.79Å; A703-L706 HydrophobicContact CB-CG 4.29Å; A703-F724 WeakPolarHBondContact CA-O 3.2Å; A703-F724 WeakPolarHBondContact CB-O 3.45Å; A703-A725 HydrophobicContact CB-CB 3.94Å
704	Q	61.8	Low	54	Low	30 Å²	30	32.7 Å²	32.7	14%	0.14	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	159.7	-178.4	-50	-171	8.8	0	0	108.8	Q670 L706 S723 F724	Q670-Q704 VanDerWaalsContact OE1-CG 3.22Å; Q704-L706 PolarHBondContact O-N 2.67Å; Q704-S723 VanDerWaalsContact O-CA 3.29Å; Q704-S723 WeakPolarHBondContact O-CA 3.34Å; Q704-F724 PolarHBondContact N-O 2.87Å; Q704-F724 PolarHBondContact O-N 3.13Å
705	G	61.1	Low	55.1	Low	12 Å²	12	33.9 Å²	33.9	12%	0.124	21%	0.213	C	C	.	.			trans	63.2	41.7	173.4	0	0	0	0	0	114.5	S723	G705-S723 WeakPolarHBondContact O-CA 3.22Å; G705-S723 WeakPolarHBondContact O-CB 3.29Å; G705-S723 PolarHBondContact O-OG 3.31Å
706	L	64.8	Low	56.5	Low	12 Å²	12	42.7 Å²	42.7	6%	0.063	25%	0.254	C	S	.	.			trans	-108	-6.9	-177	-61.2	-164.4	0	0	0	113.5	I645 V671 A703 Q704 S708 L709 F742 L748	I645-L706 HydrophobicContact CD1-CB 4.21Å; V671-L706 HydrophobicContact CG2-CD1 3.79Å; A703-L706 HydrophobicContact CB-CD1 3.79Å; A703-L706 HydrophobicContact CB-CG 4.29Å; Q704-L706 PolarHBondContact O-N 2.67Å; L706-S708 PolarHBondContact O-N 2.8Å; L706-S708 VanDerWaalsContact O-N 3.16Å; L706-L709 HydrophobicContact CB-CD1 3.98Å; L706-L709 HydrophobicContact CD2-CD1 4.11Å; L706-L709 HydrophobicContact CG-CD1 4.44Å; L706-L709 WeakPolarHBondContact O-CB 2.99Å; L706-L709 WeakPolarHBondContact O-CG 3.44Å; L706-L709 PolarHBondContact O-N 3.44Å; L706-F742 HydrophobicContact CD1-CZ 4.33Å; L706-F742 HydrophobicContact CD2-CE2 3.84Å; L706-F742 HydrophobicContact CD2-CZ 3.85Å; L706-L748 HydrophobicContact CD2-CD2 4.25Å
707	E	68.5	Low	57.6	Low	5 Å²	5	46.2 Å²	46.2	2%	0.023	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-51.9	-37	-178.1	-78.3	68.8	-161.1	0	0	113.1	S641 S643 I645 L709 I710 A711 A712 P714	S641-E707 PolarHBondContact OG-OE1 2.85Å; S643-E707 WeakPolarHBondContact OG-CG 3.5Å; S643-E707 PolarHBondContact OG-OE1 3Å; I645-E707 HydrophobicContact CD1-CB 4.47Å; I645-E707 HydrophobicContact CD1-CG 3.99Å; E707-L709 PolarHBondContact O-N 2.95Å; E707-I710 WeakPolarHBondContact O-CG1 3.39Å; E707-I710 PolarHBondContact O-N 2.9Å; E707-A711 PolarHBondContact O-N 2.66Å; E707-A712 CarbonylContact C-O 3.49Å; E707-A712 HydrophobicContact CB-CB 4.19Å; E707-A712 HydrophobicContact CG-CB 4.4Å; E707-A712 PolarHBondContact O-N 2.91Å; E707-P714 HydrophobicContact CB-CG 4.44Å
708	S	62.7	Low	58.7	Low	73 Å²	73	46.6 Å²	46.6	51%	0.51	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-60.7	-27.7	178.6	56.3	0	0	0	0	114.2	L706 I710 A711	L706-S708 PolarHBondContact O-N 2.8Å; L706-S708 VanDerWaalsContact O-N 3.16Å; S708-I710 VanDerWaalsContact C-N 3.29Å; S708-I710 PolarHBondContact O-N 3.06Å; S708-A711 PolarHBondContact O-N 3.08Å
709	L	63.5	Low	60.2	Low	63 Å²	63	53 Å²	53	33%	0.33	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-69	-28.1	180	-61.2	163.5	0	0	0	112.9	L706 E707 Y745 L748 M749	L706-L709 HydrophobicContact CB-CD1 3.98Å; L706-L709 HydrophobicContact CD2-CD1 4.11Å; L706-L709 HydrophobicContact CG-CD1 4.44Å; L706-L709 WeakPolarHBondContact O-CB 2.99Å; L706-L709 WeakPolarHBondContact O-CG 3.44Å; L706-L709 PolarHBondContact O-N 3.44Å; E707-L709 PolarHBondContact O-N 2.95Å; L709-Y745 HydrophobicContact CD2-CD2 4.3Å; L709-Y745 HydrophobicContact CD2-CE2 3.5Å; L709-Y745 VanDerWaalsContact CD2-CE2 3.5Å; L709-Y745 HydrophobicContact CG-CE2 4.3Å; L709-L748 HydrophobicContact CD1-CD2 3.6Å; L709-L748 HydrophobicContact CD2-CD2 3.85Å; L709-L748 HydrophobicContact CG-CD2 4.26Å; L709-M749 HydrophobicContact CD2-SD 4.38Å
710	I	61.3	Low	61.5	Low	53 Å²	53	60.6 Å²	60.6	27%	0.272	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-109.4	11	-179.7	61.1	169.6	0	0	0	112.3	I645 E707 S708 A712	I645-I710 HydrophobicContact CD1-CD1 3.9Å; I645-I710 HydrophobicContact CD1-CG1 4.4Å; I645-I710 HydrophobicContact CG1-CD1 4.16Å; E707-I710 WeakPolarHBondContact O-CG1 3.39Å; E707-I710 PolarHBondContact O-N 2.9Å; S708-I710 VanDerWaalsContact C-N 3.29Å; S708-I710 PolarHBondContact O-N 3.06Å; I710-A712 HydrophobicContact CD1-CB 3.99Å; I710-A712 HydrophobicContact CG1-CB 3.82Å; I710-A712 PolarHBondContact O-N 2.85Å
711	A	62	Low	63.1	Low	98 Å²	98	62.7 Å²	62.7	81%	0.81	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	31.6	-173.2	0	0	0	0	0	114.4	E707 S708	E707-A711 PolarHBondContact O-N 2.66Å; S708-A711 PolarHBondContact O-N 3.08Å
712	A	66.3	Low	64.3	Low	33 Å²	33	65.8 Å²	65.8	27%	0.273	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-86.8	161.1	169.5	0	0	0	0	0	111.1	E707 I710	E707-A712 CarbonylContact C-O 3.49Å; E707-A712 HydrophobicContact CB-CB 4.19Å; E707-A712 HydrophobicContact CG-CB 4.4Å; E707-A712 PolarHBondContact O-N 2.91Å; I710-A712 HydrophobicContact CD1-CB 3.99Å; I710-A712 HydrophobicContact CG1-CB 3.82Å; I710-A712 PolarHBondContact O-N 2.85Å
713	T	67.8	Low	65.1	Low	115 Å²	115	64 Å²	64	71%	0.706	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-90.1	142.8	169.5	50.5	0	0	0	0	110.7
714	P	68	Low	65.8	Low	51 Å²	51	66.3 Å²	66.3	33%	0.331	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-55.3	157.6	164.3	-25.5	36.3	0	0	0	113	E707 E718 E719	E707-P714 HydrophobicContact CB-CG 4.44Å; P714-E718 HydrophobicContact CB-CB 4.4Å; P714-E719 HydrophobicContact CB-CG 4.24Å
715	D	68.5	Low	66	Low	30 Å²	30	64.9 Å²	64.9	16%	0.16	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-72.4	157.8	167.9	-72.5	-15.3	0	0	0	110.7	K540 S641 G642 G717 E718	K540-D715 WeakPolarHBondContact CE-OD2 3.48Å; K540-D715 IonicContact NZ-OD2 2.71Å; K540-D715 PolarHBondContact NZ-OD2 2.8Å; S641-D715 WeakPolarHBondContact CA-OD2 3.26Å; S641-D715 WeakPolarHBondContact CB-OD2 3.32Å; G642-D715 WeakPolarHBondContact CA-OD1 3.12Å; G642-D715 VanDerWaalsContact N-CG 3.32Å; G642-D715 PolarHBondContact N-OD1 2.83Å; G642-D715 PolarHBondContact N-OD2 2.93Å; D715-G717 PolarHBondContact O-N 2.87Å; D715-E718 WeakPolarHBondContact O-CB 3.4Å; D715-E718 PolarHBondContact O-N 2.95Å
716	E	63.9	Low	66.2	Low	190 Å²	190	64.4 Å²	64.4	89%	0.888	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	125.8	173.8	-69.3	-175.4	162.2	0	0	111.9
717	G	63.3	Low	66.4	Low	76 Å²	76	64.5 Å²	64.5	78%	0.784	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	6.5	-177.6	0	0	0	0	0	115.3	D715	D715-G717 PolarHBondContact O-N 2.87Å
718	E	65.3	Low	66.6	Low	14 Å²	14	65 Å²	65	7%	0.065	38%	0.38	C	S	.	.			trans	-117.9	7.9	178.6	-61.4	-170.7	-161.5	0	0	113.3	K540 R647 P714 D715 D720 L721	K540-E718 IonicContact NZ-OE1 3.56Å; K540-E718 PolarHBondContact NZ-OE1 2.79Å; R647-E718 IonicContact CZ-OE2 2.64Å; R647-E718 VanDerWaalsContact CZ-OE2 3.29Å; R647-E718 IonicContact NH1-OE2 2.7Å; R647-E718 PolarHBondContact NH1-OE2 2.83Å; R647-E718 IonicContact NH2-OE2 3.29Å; P714-E718 HydrophobicContact CB-CB 4.4Å; D715-E718 WeakPolarHBondContact O-CB 3.4Å; D715-E718 PolarHBondContact O-N 2.95Å; E718-D720 PolarHBondContact O-N 3.42Å; E718-L721 HydrophobicContact CB-CD1 3.76Å; E718-L721 HydrophobicContact CB-CG 4.38Å; E718-L721 HydrophobicContact CG-CD1 3.91Å; E718-L721 PolarHBondContact O-N 3.12Å
719	E	65.4	Low	67	Low	145 Å²	145	62.1 Å²	62.1	68%	0.678	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-36.1	-175.9	-66.4	173.6	-141.4	0	0	114.3	P714 L721	P714-E719 HydrophobicContact CB-CG 4.24Å; E719-L721 VanDerWaalsContact C-N 3.34Å
720	D	66.9	Low	67.6	Low	169 Å²	169	59.1 Å²	59.1	90%	0.904	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	6.3	-179.4	-70.2	-52.5	0	0	0	113.9	E718 E722	E718-D720 PolarHBondContact O-N 3.42Å; D720-E722 PolarHBondContact O-N 2.75Å
721	L	69.3	Low	68.3	Low	57 Å²	57	57.1 Å²	57.1	30%	0.298	34%	0.335	S	S	.	.			trans	-79.7	122.6	-174.5	-64.9	-177.6	0	0	0	112.9	E718 E719	E718-L721 HydrophobicContact CB-CD1 3.76Å; E718-L721 HydrophobicContact CB-CG 4.38Å; E718-L721 HydrophobicContact CG-CD1 3.91Å; E718-L721 PolarHBondContact O-N 3.12Å; E719-L721 VanDerWaalsContact C-N 3.34Å
722	E	71.1	Confident	69	Low	106 Å²	106	53.1 Å²	53.1	50%	0.495	30%	0.3	S	S	.	.			trans	-65.4	139.7	174.1	-177.4	176.2	-152.6	0	0	112.1	D720 F724 K743 G744	D720-E722 PolarHBondContact O-N 2.75Å; E722-F724 PolarHBondContact O-N 3.16Å; E722-K743 WeakPolarHBondContact OE2-CE 3.35Å; E722-K743 IonicContact OE2-NZ 2.73Å; E722-G744 WeakPolarHBondContact OE1-CA 3.45Å; E722-G744 PolarHBondContact OE1-N 3.37Å
723	S	68.3	Low	69.6	Low	11 Å²	11	54.1 Å²	54.1	8%	0.077	30%	0.301	C	S	.	.			trans	-56.2	100.1	173.2	-50.7	0	0	0	0	111.7	Q704 G705 G744	Q704-S723 VanDerWaalsContact O-CA 3.29Å; Q704-S723 WeakPolarHBondContact O-CA 3.34Å; G705-S723 WeakPolarHBondContact O-CA 3.22Å; G705-S723 WeakPolarHBondContact O-CB 3.29Å; G705-S723 PolarHBondContact O-OG 3.31Å; S723-G744 WeakPolarHBondContact O-CA 3.41Å; S723-G744 PolarHBondContact O-N 2.9Å
724	F	71.5	Confident	70.4	Confident	50 Å²	50	48.8 Å²	48.8	22%	0.219	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	156.3	-177.7	178.5	-119.5	0	0	0	110.9	E702 A703 Q704 E722 T740 F742 K743	E702-F724 HydrophobicContact CG-CD1 4.15Å; E702-F724 HydrophobicContact CG-CE1 3.79Å; A703-F724 WeakPolarHBondContact CA-O 3.2Å; A703-F724 WeakPolarHBondContact CB-O 3.45Å; Q704-F724 PolarHBondContact N-O 2.87Å; Q704-F724 PolarHBondContact O-N 3.13Å; E722-F724 PolarHBondContact O-N 3.16Å; F724-T740 HydrophobicContact CD2-CG2 4.42Å; F724-T740 HydrophobicContact CE2-CG2 3.76Å; F724-F742 WeakPolarHBondContact CD2-O 3.32Å; F724-F742 WeakPolarHBondContact O-CE2 3.14Å; F724-K743 HydrophobicContact CD2-CB 4.15Å; F724-K743 HydrophobicContact CD2-CD 4.36Å; F724-K743 HydrophobicContact CD2-CG 4.22Å
725	A	66.8	Low	71.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	147.8	155.4	0	0	0	0	0	114.2	I701 E702 A703 T740 F741 F742	I701-A725 HydrophobicContact CG2-CB 3.98Å; E702-A725 CarbonylContact O-C 2.96Å; E702-A725 WeakPolarHBondContact O-CA 3.25Å; E702-A725 WeakPolarHBondContact O-CB 3.37Å; A703-A725 HydrophobicContact CB-CB 3.94Å; A725-T740 CarbonylContact O-C 3.55Å; A725-T740 WeakPolarHBondContact O-CA 2.9Å; A725-T740 WeakPolarHBondContact O-CG2 3.12Å; A725-F741 HydrophobicContact CB-CB 4.03Å; A725-F741 PolarHBondContact O-N 3.33Å; A725-F742 HydrophobicContact CB-CD1 3.58Å; A725-F742 HydrophobicContact CB-CD2 3.97Å; A725-F742 HydrophobicContact CB-CE1 3.28Å; A725-F742 HydrophobicContact CB-CE2 3.71Å; A725-F742 HydrophobicContact CB-CG 3.91Å; A725-F742 HydrophobicContact CB-CZ 3.36Å; A725-F742 PolarHBondContact N-O 2.83Å; A725-F742 PolarHBondContact O-N 3.1Å; A725-F742 VanDerWaalsContact O-N 3.13Å; A725-F742 VanDerWaalsContact O-O 3.08Å
726	G	65.3	Low	71.9	Confident	2 Å²	2	45.7 Å²	45.7	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	-164	179.2	0	0	0	0	0	115.2	I701 E702 V739 F741	I701-G726 CarbonylContact C-O 3.46Å; I701-G726 WeakPolarHBondContact CA-O 3.22Å; E702-G726 PolarHBondContact N-O 3.26Å; E702-G726 PolarHBondContact O-N 2.78Å; G726-V739 CarbonylContact C-O 3.45Å; G726-V739 WeakPolarHBondContact CA-O 3.44Å; G726-F741 WeakPolarHBondContact O-CD2 3.5Å; G726-F741 WeakPolarHBondContact O-CE2 3.31Å
727	M	69.5	Low	72.9	Confident	13 Å²	13	37.7 Å²	37.7	6%	0.064	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	135.3	172.3	173.2	-178.4	63.8	0	0	108.9	V667 V699 P738 V739 F741 V762	V667-M727 HydrophobicContact CG1-CG 4.14Å; V667-M727 HydrophobicContact CG1-SD 4.4Å; V699-M727 HydrophobicContact CB-SD 4.14Å; V699-M727 HydrophobicContact CG1-SD 3.82Å; V699-M727 HydrophobicContact CG2-SD 3.88Å; M727-P738 CarbonylContact O-C 3.57Å; M727-P738 WeakPolarHBondContact O-CA 3.5Å; M727-V739 HydrophobicContact CE-CB 4.49Å; M727-V739 HydrophobicContact CE-CG2 4.5Å; M727-V739 PolarHBondContact N-O 2.9Å; M727-V739 PolarHBondContact O-N 3.45Å; M727-F741 HydrophobicContact CB-CE2 3.71Å; M727-F741 HydrophobicContact CB-CZ 4.02Å; M727-V762 HydrophobicContact CE-CG1 4.1Å
728	S	71.6	Confident	73.6	Confident	15 Å²	15	36 Å²	36	11%	0.105	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.2	168.7	-177.9	0	0	0	0	110	V667 H668 Q735	V667-S728 WeakPolarHBondContact CA-O 3.25Å; H668-S728 PolarHBondContact N-O 2.9Å; H668-S728 PolarHBondContact O-N 2.7Å; S728-Q735 PolarHBondContact OG-NE2 2.93Å
729	A	72.1	Confident	74	Confident	13 Å²	13	37.8 Å²	37.8	11%	0.107	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	139.3	-174.2	0	0	0	0	0	112	L731 Q735 L736	A729-L731 HydrophobicContact CB-CD2 4.43Å; A729-Q735 PolarHBondContact O-NE2 3.11Å; A729-L736 WeakPolarHBondContact O-CB 3.48Å; A729-L736 PolarHBondContact O-N 2.93Å
730	L	74.9	Confident	74.4	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	118.9	174.1	176	164.5	0	0	0	107.7	H663 L665 Q666 V734	H663-L730 HydrophobicContact CB-CD2 3.89Å; L665-L730 CarbonylContact C-O 2.91Å; L665-L730 WeakPolarHBondContact CA-O 3.45Å; Q666-L730 HydrophobicContact CB-CB 4.13Å; Q666-L730 HydrophobicContact CB-CD2 4.34Å; Q666-L730 HydrophobicContact CG-CB 4.33Å; Q666-L730 PolarHBondContact N-O 3.3Å; Q666-L730 PolarHBondContact O-N 3.33Å; L730-V734 CarbonylContact C-O 3.54Å; L730-V734 WeakPolarHBondContact CA-O 3.2Å
731	L	77.2	Confident	74.4	Confident	10 Å²	10	29.5 Å²	29.5	5%	0.052	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.3	-179	-47.5	-168.1	0	0	0	109	F402 L665 F697 A729 D733 V734 L736	F402-L731 HydrophobicContact CE1-CB 3.98Å; F402-L731 HydrophobicContact CZ-CB 4.02Å; F402-L731 HydrophobicContact CZ-CD1 4.25Å; L665-L731 HydrophobicContact CD1-CD2 3.62Å; F697-L731 HydrophobicContact CD1-CD1 4.09Å; F697-L731 HydrophobicContact CD1-CD2 3.56Å; F697-L731 HydrophobicContact CD1-CG 4.37Å; F697-L731 HydrophobicContact CE1-CB 4.36Å; F697-L731 HydrophobicContact CE1-CD1 3.95Å; F697-L731 HydrophobicContact CE1-CD2 3.82Å; F697-L731 HydrophobicContact CE1-CG 4.25Å; A729-L731 HydrophobicContact CB-CD2 4.43Å; L731-D733 VanDerWaalsContact C-N 3.29Å; L731-D733 PolarHBondContact O-N 3.34Å; L731-V734 PolarHBondContact N-O 3.16Å; L731-V734 WeakPolarHBondContact O-CB 3.43Å; L731-V734 PolarHBondContact O-N 2.78Å; L731-L736 HydrophobicContact CD1-CD1 3.84Å; L731-L736 HydrophobicContact CG-CD1 3.88Å; L731-L736 HydrophobicContact CG-CG 4.36Å
732	F	76.4	Confident	74.3	Confident	15 Å²	15	28 Å²	28	7%	0.066	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	50.5	177.9	-51.1	-63.4	0	0	0	113.2	F402 L662 H663 G664 L694 F697 V734 I767 L769 L792	F402-F732 HydrophobicContact CE1-CD2 4.38Å; L662-F732 HydrophobicContact CD2-CD1 4.06Å; H663-F732 CarbonylContact O-C 3.57Å; H663-F732 VanDerWaalsContact O-CA 3.24Å; H663-F732 WeakPolarHBondContact O-CA 3.34Å; H663-F732 PolarHBondContact O-N 2.9Å; G664-F732 PolarHBondContact O-N 3.19Å; L694-F732 HydrophobicContact CD2-CD1 4.38Å; L694-F732 HydrophobicContact CD2-CE1 3.67Å; F697-F732 HydrophobicContact CE1-CE2 4.12Å; F697-F732 HydrophobicContact CE1-CZ 4.24Å; F697-F732 AromaticContact CZ-CE2 3.84Å; F697-F732 HydrophobicContact CZ-CE2 3.84Å; F697-F732 AromaticContact CZ-CZ 3.7Å; F697-F732 HydrophobicContact CZ-CZ 3.7Å; F732-V734 PolarHBondContact O-N 3.03Å; F732-I767 HydrophobicContact CD2-CD1 4.5Å; F732-I767 HydrophobicContact CE2-CD1 4.19Å; F732-L769 HydrophobicContact CD1-CD2 4.01Å; F732-L769 HydrophobicContact CD2-CD2 3.55Å; F732-L769 HydrophobicContact CE1-CD1 4.24Å; F732-L769 HydrophobicContact CE1-CD2 3.98Å; F732-L769 HydrophobicContact CE2-CD2 3.5Å; F732-L769 HydrophobicContact CG-CD2 3.8Å; F732-L769 HydrophobicContact CZ-CD1 4.01Å; F732-L769 HydrophobicContact CZ-CD2 3.71Å; F732-L792 HydrophobicContact CE2-CD2 3.97Å; F732-L792 HydrophobicContact CZ-CD2 3.67Å
733	D	78.5	Confident	74.5	Confident	54 Å²	54	28.7 Å²	28.7	29%	0.289	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	6.6	-174.9	-78.2	-70.4	0	0	0	117.4	R513 H663 L731	R513-D733 IonicContact CZ-OD1 3.67Å; R513-D733 PolarHBondContact NH1-O 3.29Å; R513-D733 PolarHBondContact NH2-O 3.34Å; R513-D733 IonicContact NH2-OD1 2.66Å; R513-D733 PolarHBondContact NH2-OD1 3.22Å; H663-D733 VanDerWaalsContact CB-OD1 3.29Å; H663-D733 WeakPolarHBondContact CB-OD1 3.48Å; H663-D733 PolarHBondContact N-OD2 2.86Å; H663-D733 PolarHBondContact O-N 2.74Å; L731-D733 VanDerWaalsContact C-N 3.29Å; L731-D733 PolarHBondContact O-N 3.34Å
734	V	84.4	Confident	74.9	Confident	3 Å²	3	28.3 Å²	28.3	2%	0.018	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	109.6	172.6	-173.5	0	0	0	0	110.5	F402 I434 A437 L730 L731 F732 L736	F402-V734 HydrophobicContact CD1-CB 4.46Å; F402-V734 HydrophobicContact CD1-CG2 4.14Å; F402-V734 HydrophobicContact CE1-CB 4.08Å; F402-V734 HydrophobicContact CE1-CG2 4.26Å; I434-V734 HydrophobicContact CD1-CG1 3.78Å; A437-V734 HydrophobicContact CB-CG1 4.07Å; A437-V734 HydrophobicContact CB-CG2 4.39Å; L730-V734 CarbonylContact C-O 3.54Å; L730-V734 WeakPolarHBondContact CA-O 3.2Å; L731-V734 PolarHBondContact N-O 3.16Å; L731-V734 WeakPolarHBondContact O-CB 3.43Å; L731-V734 PolarHBondContact O-N 2.78Å; F732-V734 PolarHBondContact O-N 3.03Å; V734-L736 HydrophobicContact CG1-CD2 4.22Å; V734-L736 PolarHBondContact O-N 2.91Å
735	Q	83.8	Confident	74.9	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	121.3	164.3	173.4	71.8	73.4	0	0	108.4	I433 L478 K481 N482 S728 A729	I433-Q735 VanDerWaalsContact CG2-O 3.28Å; I433-Q735 WeakPolarHBondContact CG2-O 3.46Å; L478-Q735 HydrophobicContact CD2-CG 3.82Å; K481-Q735 HydrophobicContact CD-CG 4.38Å; K481-Q735 VanDerWaalsContact CE-OE1 3.26Å; N482-Q735 PolarHBondContact ND2-O 2.93Å; N482-Q735 VanDerWaalsContact OD1-CB 3.29Å; N482-Q735 WeakPolarHBondContact OD1-CB 3.38Å; N482-Q735 PolarHBondContact OD1-N 3.46Å; S728-Q735 PolarHBondContact OG-NE2 2.93Å; A729-Q735 PolarHBondContact O-NE2 3.11Å
736	L	83.8	Confident	75.4	Confident	15 Å²	15	36 Å²	36	8%	0.079	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-85.3	168.7	172.1	-53.2	-173.8	0	0	0	110	Y398 F402 A729 L731 V734	Y398-L736 HydrophobicContact CD1-CD2 3.8Å; Y398-L736 HydrophobicContact CE1-CB 4.3Å; Y398-L736 HydrophobicContact CE1-CD2 3.97Å; Y398-L736 HydrophobicContact CG-CD2 4.32Å; F402-L736 HydrophobicContact CZ-CD2 4.03Å; A729-L736 WeakPolarHBondContact O-CB 3.48Å; A729-L736 PolarHBondContact O-N 2.93Å; L731-L736 HydrophobicContact CD1-CD1 3.84Å; L731-L736 HydrophobicContact CG-CD1 3.88Å; L731-L736 HydrophobicContact CG-CG 4.36Å; V734-L736 HydrophobicContact CG1-CD2 4.22Å; V734-L736 PolarHBondContact O-N 2.91Å
737	R	85.1	Confident	75.9	Confident	23 Å²	23	38.2 Å²	38.2	9%	0.087	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-64.7	136.4	170.3	-166.5	-159.4	72.9	-158	10.8	109.2	E426 E429 I433	E426-R737 VanDerWaalsContact CG-NH1 3.31Å; E426-R737 WeakPolarHBondContact O-CD 3.42Å; E426-R737 PolarHBondContact O-NH1 3Å; E426-R737 IonicContact OE2-CZ 2.66Å; E426-R737 IonicContact OE2-NH1 3.4Å; E426-R737 PolarHBondContact OE2-NH1 2.82Å; E426-R737 IonicContact OE2-NH2 3.64Å; E426-R737 PolarHBondContact OE2-NH2 3.46Å; E429-R737 HydrophobicContact CB-CG 4.34Å; I433-R737 HydrophobicContact CD1-CB 4.06Å; I433-R737 HydrophobicContact CD1-CG 4.05Å
738	P	78.3	Confident	75.9	Confident	40 Å²	40	38.6 Å²	38.6	26%	0.26	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-56.9	152.7	169	-26.2	35.5	0	0	0	112.7	L478 M727	L478-P738 HydrophobicContact CD1-CG 3.97Å; M727-P738 CarbonylContact O-C 3.57Å; M727-P738 WeakPolarHBondContact O-CA 3.5Å
739	V	74.3	Confident	75.8	Confident	52 Å²	52	39.8 Å²	39.8	32%	0.315	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	117.4	177.7	178.1	0	0	0	0	108.4	G726 M727	G726-V739 CarbonylContact C-O 3.45Å; G726-V739 WeakPolarHBondContact CA-O 3.44Å; M727-V739 HydrophobicContact CE-CB 4.49Å; M727-V739 HydrophobicContact CE-CG2 4.5Å; M727-V739 PolarHBondContact N-O 2.9Å; M727-V739 PolarHBondContact O-N 3.45Å
740	T	72.6	Confident	76	Confident	81 Å²	81	42.8 Å²	42.8	50%	0.497	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	119.8	173.9	-61.3	0	0	0	0	109.7	F724 A725 F742 K743	F724-T740 HydrophobicContact CD2-CG2 4.42Å; F724-T740 HydrophobicContact CE2-CG2 3.76Å; A725-T740 CarbonylContact O-C 3.55Å; A725-T740 WeakPolarHBondContact O-CA 2.9Å; A725-T740 WeakPolarHBondContact O-CG2 3.12Å; T740-F742 WeakPolarHBondContact CG2-O 3.48Å; T740-K743 HydrophobicContact CG2-CB 4.29Å
741	F	68.4	Low	75.8	Confident	58 Å²	58	46.3 Å²	46.3	25%	0.254	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-43.7	172.1	-68	-59.5	0	0	0	111.1	V699 I701 A725 G726 M727 K751	V699-F741 HydrophobicContact CG1-CZ 4.1Å; I701-F741 HydrophobicContact CB-CD2 4.25Å; I701-F741 HydrophobicContact CB-CE2 4.17Å; I701-F741 HydrophobicContact CG1-CD2 3.82Å; I701-F741 HydrophobicContact CG1-CE2 3.53Å; I701-F741 HydrophobicContact CG1-CZ 4.31Å; I701-F741 HydrophobicContact CG2-CD2 3.98Å; I701-F741 HydrophobicContact CG2-CE2 4.4Å; A725-F741 HydrophobicContact CB-CB 4.03Å; A725-F741 PolarHBondContact O-N 3.33Å; G726-F741 WeakPolarHBondContact O-CD2 3.5Å; G726-F741 WeakPolarHBondContact O-CE2 3.31Å; M727-F741 HydrophobicContact CB-CE2 3.71Å; M727-F741 HydrophobicContact CB-CZ 4.02Å; F741-K751 VanDerWaalsContact O-CD 3.27Å; F741-K751 WeakPolarHBondContact O-CD 3.38Å; F741-K751 WeakPolarHBondContact O-CE 3.39Å; F741-K751 PolarHBondContact O-NZ 2.82Å
742	F	66.6	Low	75.2	Confident	26 Å²	26	48.9 Å²	48.9	11%	0.114	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	160.3	168.4	58.5	-101.8	0	0	0	113.1	L706 F724 A725 T740 D747 L748 K751	L706-F742 HydrophobicContact CD1-CZ 4.33Å; L706-F742 HydrophobicContact CD2-CE2 3.84Å; L706-F742 HydrophobicContact CD2-CZ 3.85Å; F724-F742 WeakPolarHBondContact CD2-O 3.32Å; F724-F742 WeakPolarHBondContact O-CE2 3.14Å; A725-F742 HydrophobicContact CB-CD1 3.58Å; A725-F742 HydrophobicContact CB-CD2 3.97Å; A725-F742 HydrophobicContact CB-CE1 3.28Å; A725-F742 HydrophobicContact CB-CE2 3.71Å; A725-F742 HydrophobicContact CB-CG 3.91Å; A725-F742 HydrophobicContact CB-CZ 3.36Å; A725-F742 PolarHBondContact N-O 2.83Å; A725-F742 PolarHBondContact O-N 3.1Å; A725-F742 VanDerWaalsContact O-N 3.13Å; A725-F742 VanDerWaalsContact O-O 3.08Å; T740-F742 WeakPolarHBondContact CG2-O 3.48Å; F742-D747 WeakPolarHBondContact CA-OD2 3.47Å; F742-D747 HydrophobicContact CB-CB 4.42Å; F742-D747 VanDerWaalsContact CB-OD2 3.28Å; F742-D747 WeakPolarHBondContact CB-OD2 3.05Å; F742-L748 HydrophobicContact CD1-CB 4.35Å; F742-L748 HydrophobicContact CD1-CD1 3.98Å; F742-L748 HydrophobicContact CD2-CB 3.75Å; F742-L748 HydrophobicContact CE1-CD1 3.63Å; F742-L748 HydrophobicContact CE2-CB 3.95Å; F742-L748 HydrophobicContact CE2-CD1 4.28Å; F742-L748 HydrophobicContact CE2-CD2 4.12Å; F742-L748 HydrophobicContact CE2-CG 4.34Å; F742-L748 HydrophobicContact CG-CB 3.96Å; F742-L748 HydrophobicContact CG-CD1 4.45Å; F742-L748 HydrophobicContact CZ-CB 4.35Å; F742-L748 HydrophobicContact CZ-CD1 3.8Å; F742-L748 HydrophobicContact CZ-CD2 4.14Å; F742-L748 HydrophobicContact CZ-CG 4.31Å; F742-K751 HydrophobicContact CB-CD 4Å
743	K	74.6	Confident	74.8	Confident	121 Å²	121	56.3 Å²	56.3	53%	0.526	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	127	167.5	-175.3	169.6	177	171.4	0	111.2	E722 F724 T740 D747	E722-K743 WeakPolarHBondContact OE2-CE 3.35Å; E722-K743 IonicContact OE2-NZ 2.73Å; F724-K743 HydrophobicContact CD2-CB 4.15Å; F724-K743 HydrophobicContact CD2-CD 4.36Å; F724-K743 HydrophobicContact CD2-CG 4.22Å; T740-K743 HydrophobicContact CG2-CB 4.29Å; K743-D747 PolarHBondContact N-OD2 3.37Å; K743-D747 VanDerWaalsContact O-CB 3.24Å; K743-D747 WeakPolarHBondContact O-CB 3.45Å
744	G	76.1	Confident	74.3	Confident	2 Å²	2	57.7 Å²	57.7	2%	0.021	30%	0.303	C	S	.	.	S	Bend	trans	85.6	144.8	-171.5	0	0	0	0	0	112.1	E722 S723 S746 D747 L748	E722-G744 WeakPolarHBondContact OE1-CA 3.45Å; E722-G744 PolarHBondContact OE1-N 3.37Å; S723-G744 WeakPolarHBondContact O-CA 3.41Å; S723-G744 PolarHBondContact O-N 2.9Å; G744-S746 PolarHBondContact O-N 3.04Å; G744-D747 PolarHBondContact O-N 3.27Å; G744-D747 VanDerWaalsContact O-N 3.17Å; G744-L748 PolarHBondContact O-N 3.23Å; G744-L748 VanDerWaalsContact O-N 3.17Å
745	Y	71.6	Confident	73.2	Confident	115 Å²	115	61.4 Å²	61.4	45%	0.451	32%	0.321	S	S	.	.	H	α-helix	trans	-57.3	-32.9	-179.7	-171.8	-87.3	0	0	0	112.8	L709 M749	L709-Y745 HydrophobicContact CD2-CD2 4.3Å; L709-Y745 HydrophobicContact CD2-CE2 3.5Å; L709-Y745 VanDerWaalsContact CD2-CE2 3.5Å; L709-Y745 HydrophobicContact CG-CE2 4.3Å; Y745-M749 HydrophobicContact CD1-CG 3.84Å; Y745-M749 HydrophobicContact CE1-CG 3.48Å; Y745-M749 VanDerWaalsContact CE1-CG 3.48Å; Y745-M749 HydrophobicContact CE1-SD 4.15Å; Y745-M749 WeakPolarHBondContact O-CG 3.48Å; Y745-M749 PolarHBondContact O-N 3.25Å
746	S	78.3	Confident	71.9	Confident	98 Å²	98	66.6 Å²	66.6	69%	0.685	35%	0.354	S	S	*	.	H	α-helix	trans	-66.4	-40.4	177.9	48.2	0	0	0	0	113.4	G744 S750	G744-S746 PolarHBondContact O-N 3.04Å; S746-S750 VanDerWaalsContact O-CB 3.28Å; S746-S750 WeakPolarHBondContact O-CB 3.34Å; S746-S750 PolarHBondContact O-N 2.67Å
747	D	75	Confident	70.7	Confident	48 Å²	48	67.3 Å²	67.3	26%	0.257	36%	0.364	S	S	.	.	H	α-helix	trans	-71.5	-40.7	177.3	-177.1	38.5	0	0	0	111.2	F742 K743 G744 S750 K751	F742-D747 WeakPolarHBondContact CA-OD2 3.47Å; F742-D747 HydrophobicContact CB-CB 4.42Å; F742-D747 VanDerWaalsContact CB-OD2 3.28Å; F742-D747 WeakPolarHBondContact CB-OD2 3.05Å; K743-D747 PolarHBondContact N-OD2 3.37Å; K743-D747 VanDerWaalsContact O-CB 3.24Å; K743-D747 WeakPolarHBondContact O-CB 3.45Å; G744-D747 PolarHBondContact O-N 3.27Å; G744-D747 VanDerWaalsContact O-N 3.17Å; D747-S750 WeakPolarHBondContact O-CB 3.17Å; D747-S750 PolarHBondContact O-N 3.27Å; D747-K751 WeakPolarHBondContact O-CB 3.37Å; D747-K751 WeakPolarHBondContact O-CG 3.36Å; D747-K751 PolarHBondContact O-N 3.4Å; D747-K751 WeakPolarHBondContact OD1-CE 3.27Å; D747-K751 IonicContact OD1-NZ 3.17Å; D747-K751 PolarHBondContact OD1-NZ 3.48Å; D747-K751 IonicContact OD2-NZ 2.86Å; D747-K751 PolarHBondContact OD2-NZ 2.97Å
748	L	69.3	Low	69.6	Low	20 Å²	20	73.2 Å²	73.2	11%	0.105	39%	0.393	C	S	.	.	H	α-helix	trans	-54.1	-55.5	169.6	165.4	58.6	0	0	0	111.5	L706 L709 F742 G744 S750 K751 M752	L706-L748 HydrophobicContact CD2-CD2 4.25Å; L709-L748 HydrophobicContact CD1-CD2 3.6Å; L709-L748 HydrophobicContact CD2-CD2 3.85Å; L709-L748 HydrophobicContact CG-CD2 4.26Å; F742-L748 HydrophobicContact CD1-CB 4.35Å; F742-L748 HydrophobicContact CD1-CD1 3.98Å; F742-L748 HydrophobicContact CD2-CB 3.75Å; F742-L748 HydrophobicContact CE1-CD1 3.63Å; F742-L748 HydrophobicContact CE2-CB 3.95Å; F742-L748 HydrophobicContact CE2-CD1 4.28Å; F742-L748 HydrophobicContact CE2-CD2 4.12Å; F742-L748 HydrophobicContact CE2-CG 4.34Å; F742-L748 HydrophobicContact CG-CB 3.96Å; F742-L748 HydrophobicContact CG-CD1 4.45Å; F742-L748 HydrophobicContact CZ-CB 4.35Å; F742-L748 HydrophobicContact CZ-CD1 3.8Å; F742-L748 HydrophobicContact CZ-CD2 4.14Å; F742-L748 HydrophobicContact CZ-CG 4.31Å; G744-L748 PolarHBondContact O-N 3.23Å; G744-L748 VanDerWaalsContact O-N 3.17Å; L748-S750 VanDerWaalsContact C-N 3.32Å; L748-S750 PolarHBondContact O-N 3.43Å; L748-K751 PolarHBondContact O-N 3.02Å; L748-M752 WeakPolarHBondContact O-CB 3.42Å; L748-M752 PolarHBondContact O-N 2.77Å
749	M	69.9	Low	69	Low	40 Å²	40	74.6 Å²	74.6	20%	0.197	40%	0.402	C	S	.	.	H	α-helix	trans	-64.5	-37.9	-177.9	-67.3	-52.7	-55.7	0	0	111.9	L709 Y745 K751 M752 F753	L709-M749 HydrophobicContact CD2-SD 4.38Å; Y745-M749 HydrophobicContact CD1-CG 3.84Å; Y745-M749 HydrophobicContact CE1-CG 3.48Å; Y745-M749 VanDerWaalsContact CE1-CG 3.48Å; Y745-M749 HydrophobicContact CE1-SD 4.15Å; Y745-M749 WeakPolarHBondContact O-CG 3.48Å; Y745-M749 PolarHBondContact O-N 3.25Å; M749-K751 VanDerWaalsContact C-N 3.32Å; M749-K751 PolarHBondContact O-N 3.5Å; M749-M752 HydrophobicContact CE-SD 4.25Å; M749-M752 PolarHBondContact O-N 3.34Å; M749-M752 HydrophobicContact SD-SD 4.46Å; M749-F753 HydrophobicContact CB-CD2 4.43Å; M749-F753 HydrophobicContact CB-CE2 4.37Å; M749-F753 HydrophobicContact CE-CD2 4.21Å; M749-F753 HydrophobicContact CE-CE2 3.45Å; M749-F753 VanDerWaalsContact CE-CE2 3.45Å; M749-F753 HydrophobicContact CE-CZ 3.7Å; M749-F753 WeakPolarHBondContact O-CD2 3.39Å; M749-F753 PolarHBondContact O-N 3.32Å
750	S	76.8	Confident	68.5	Low	76 Å²	76	78 Å²	78	53%	0.531	42%	0.416	S	S	.	.	H	α-helix	trans	-57.6	-43.5	173.8	-175.3	0	0	0	0	112.1	S746 D747 L748 S754	S746-S750 VanDerWaalsContact O-CB 3.28Å; S746-S750 WeakPolarHBondContact O-CB 3.34Å; S746-S750 PolarHBondContact O-N 2.67Å; D747-S750 WeakPolarHBondContact O-CB 3.17Å; D747-S750 PolarHBondContact O-N 3.27Å; L748-S750 VanDerWaalsContact C-N 3.32Å; L748-S750 PolarHBondContact O-N 3.43Å; S750-S754 PolarHBondContact O-N 2.8Å; S750-S754 PolarHBondContact O-OG 3.27Å
751	K	70.5	Confident	68.2	Low	76 Å²	76	79 Å²	79	33%	0.33	42%	0.418	S	S	.	.	H	α-helix	trans	-70.3	-46.2	176	-75.9	159.7	179.8	165.4	0	111.7	F741 F742 D747 L748 M749 F753 S754 M755	F741-K751 VanDerWaalsContact O-CD 3.27Å; F741-K751 WeakPolarHBondContact O-CD 3.38Å; F741-K751 WeakPolarHBondContact O-CE 3.39Å; F741-K751 PolarHBondContact O-NZ 2.82Å; F742-K751 HydrophobicContact CB-CD 4Å; D747-K751 WeakPolarHBondContact O-CB 3.37Å; D747-K751 WeakPolarHBondContact O-CG 3.36Å; D747-K751 PolarHBondContact O-N 3.4Å; D747-K751 WeakPolarHBondContact OD1-CE 3.27Å; D747-K751 IonicContact OD1-NZ 3.17Å; D747-K751 PolarHBondContact OD1-NZ 3.48Å; D747-K751 IonicContact OD2-NZ 2.86Å; D747-K751 PolarHBondContact OD2-NZ 2.97Å; L748-K751 PolarHBondContact O-N 3.02Å; M749-K751 VanDerWaalsContact C-N 3.32Å; M749-K751 PolarHBondContact O-N 3.5Å; K751-F753 VanDerWaalsContact C-N 3.3Å; K751-F753 PolarHBondContact O-N 3.33Å; K751-S754 WeakPolarHBondContact CA-OG 3.39Å; K751-S754 CarbonylContact O-C 3.6Å; K751-S754 PolarHBondContact O-N 2.77Å; K751-S754 PolarHBondContact O-OG 3.03Å; K751-M755 WeakPolarHBondContact O-CG 3.5Å; K751-M755 PolarHBondContact O-N 3.2Å
752	M	65.6	Low	68.1	Low	64 Å²	64	78.7 Å²	78.7	32%	0.315	42%	0.421	S	S	.	.	H	α-helix	trans	-56.9	-41.7	177.9	-166.5	-178.2	-174.7	0	0	112.4	L748 M749 S754 I802 L804	L748-M752 WeakPolarHBondContact O-CB 3.42Å; L748-M752 PolarHBondContact O-N 2.77Å; M749-M752 HydrophobicContact CE-SD 4.25Å; M749-M752 PolarHBondContact O-N 3.34Å; M749-M752 HydrophobicContact SD-SD 4.46Å; M752-S754 VanDerWaalsContact C-N 3.3Å; M752-S754 PolarHBondContact O-N 2.83Å; M752-I802 HydrophobicContact CE-CB 4.36Å; M752-I802 HydrophobicContact CE-CD1 4.3Å; M752-I802 HydrophobicContact CE-CG2 4.01Å; M752-L804 HydrophobicContact CE-CD1 4.45Å
753	F	68.4	Low	68.4	Low	171 Å²	171	79.8 Å²	79.8	75%	0.75	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-8.2	176.4	-71.3	-55.9	0	0	0	114.9	M749 K751	M749-F753 HydrophobicContact CB-CD2 4.43Å; M749-F753 HydrophobicContact CB-CE2 4.37Å; M749-F753 HydrophobicContact CE-CD2 4.21Å; M749-F753 HydrophobicContact CE-CE2 3.45Å; M749-F753 VanDerWaalsContact CE-CE2 3.45Å; M749-F753 HydrophobicContact CE-CZ 3.7Å; M749-F753 WeakPolarHBondContact O-CD2 3.39Å; M749-F753 PolarHBondContact O-N 3.32Å; K751-F753 VanDerWaalsContact C-N 3.3Å; K751-F753 PolarHBondContact O-N 3.33Å
754	S	66.4	Low	68.7	Low	83 Å²	83	76 Å²	76	58%	0.58	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-1.4	176.3	52.7	0	0	0	0	114.2	S750 K751 M752	S750-S754 PolarHBondContact O-N 2.8Å; S750-S754 PolarHBondContact O-OG 3.27Å; K751-S754 WeakPolarHBondContact CA-OG 3.39Å; K751-S754 CarbonylContact O-C 3.6Å; K751-S754 PolarHBondContact O-N 2.77Å; K751-S754 PolarHBondContact O-OG 3.03Å; M752-S754 VanDerWaalsContact C-N 3.3Å; M752-S754 PolarHBondContact O-N 2.83Å
755	M	62.6	Low	69.2	Low	80 Å²	80	76.3 Å²	76.3	39%	0.394	42%	0.417	S	S	.	.			trans	-74.1	126.7	172.4	-75.4	-174.8	70.4	0	0	111.8	K751 M800	K751-M755 WeakPolarHBondContact O-CG 3.5Å; K751-M755 PolarHBondContact O-N 3.2Å; M755-M800 HydrophobicContact CE-CB 3.91Å; M755-M800 HydrophobicContact CE-CE 3.81Å; M755-M800 HydrophobicContact SD-CE 3.74Å
756	T	56.1	Low	70.1	Confident	110 Å²	110	71.1 Å²	71.1	68%	0.675	40%	0.396	S	S	*	.			trans	-93.8	1.7	-179.1	56.6	0	0	0	0	113.9	E758	T756-E758 PolarHBondContact O-N 3.06Å
757	G	58.8	Low	70.7	Confident	30 Å²	30	67.1 Å²	67.1	31%	0.309	37%	0.367	S	S	.	.	S	Bend	trans	76.1	-16.7	-170.8	0	0	0	0	0	114.7
758	E	62.2	Low	71.6	Confident	147 Å²	147	65 Å²	65	69%	0.687	36%	0.356	S	S	*	.	S	Bend	trans	-69.8	143.5	179.4	-62.8	-170.2	137.8	0	0	112.5	T756 M760	T756-E758 PolarHBondContact O-N 3.06Å; E758-M760 PolarHBondContact O-N 3.29Å
759	P	64.6	Low	72.4	Confident	69 Å²	69	64.4 Å²	64.4	45%	0.448	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-62.7	117.1	178.8	-24.4	34.7	0	0	0	113.6
760	M	64.6	Low	73.2	Confident	123 Å²	123	62.9 Å²	62.9	61%	0.606	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	138.8	176.5	-61.4	-175.6	72.3	0	0	110.7	E758 V762 S797 G798	E758-M760 PolarHBondContact O-N 3.29Å; M760-V762 PolarHBondContact O-N 3.24Å; M760-S797 CarbonylContact O-C 3.55Å; M760-S797 WeakPolarHBondContact O-CA 3.04Å; M760-S797 WeakPolarHBondContact O-CB 2.96Å; M760-G798 PolarHBondContact N-O 3.35Å; M760-G798 PolarHBondContact O-N 2.86Å
761	N	66.8	Low	73.9	Confident	102 Å²	102	59.3 Å²	59.3	55%	0.545	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	123.2	176.8	-63.4	-103.3	0	0	0	109.3	K764	N761-K764 PolarHBondContact OD1-NZ 3.32Å
762	V	64.4	Low	75	Confident	52 Å²	52	56.3 Å²	56.3	32%	0.315	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-50.1	-179.4	-170.9	0	0	0	0	111	V699 M727 M760 I796	V699-V762 HydrophobicContact CG2-CB 4.27Å; V699-V762 HydrophobicContact CG2-CG1 3.92Å; V699-V762 HydrophobicContact CG2-CG2 4.47Å; M727-V762 HydrophobicContact CE-CG1 4.1Å; M760-V762 PolarHBondContact O-N 3.24Å; V762-I796 HydrophobicContact CB-CG2 4.33Å; V762-I796 PolarHBondContact N-O 2.99Å
763	V	73.3	Confident	76.2	Confident	49 Å²	49	54.4 Å²	54.4	30%	0.297	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	133.7	175.4	-173.5	0	0	0	0	108.9	I796	V763-I796 HydrophobicContact CB-CB 4.34Å; V763-I796 HydrophobicContact CB-CD1 3.85Å; V763-I796 HydrophobicContact CB-CG1 4.21Å; V763-I796 HydrophobicContact CG2-CD1 4.07Å; V763-I796 PolarHBondContact N-O 2.84Å; V763-I796 PolarHBondContact O-N 2.67Å
764	K	81.5	Confident	77.1	Confident	41 Å²	41	47.7 Å²	47.7	18%	0.178	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	129.5	179.3	177.9	150.4	-76.5	172.1	0	108.5	P320 L323 R395 N761 I794 D795	P320-K764 HydrophobicContact CB-CD 4.28Å; L323-K764 HydrophobicContact CD1-CD 3.97Å; L323-K764 HydrophobicContact CD1-CG 3.58Å; R395-K764 PolarHBondContact NH2-O 3.17Å; N761-K764 PolarHBondContact OD1-NZ 3.32Å; K764-I794 WeakPolarHBondContact CA-O 3.43Å; K764-D795 WeakPolarHBondContact CE-OD1 3.42Å; K764-D795 VanDerWaalsContact CE-OD2 3.24Å; K764-D795 WeakPolarHBondContact CE-OD2 3.11Å; K764-D795 IonicContact NZ-OD1 2.86Å; K764-D795 PolarHBondContact NZ-OD1 2.94Å; K764-D795 IonicContact NZ-OD2 2.73Å; K764-D795 PolarHBondContact NZ-OD2 2.93Å
765	G	86.8	Confident	78.1	Confident	9 Å²	9	45.2 Å²	45.2	9%	0.093	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.3	174.6	-177.3	0	0	0	0	0	115.5	A793 I794	G765-A793 WeakPolarHBondContact O-CA 3.29Å; G765-I794 PolarHBondContact N-O 3.31Å; G765-I794 PolarHBondContact O-N 3.1Å
766	L	91.3	Very high	79.3	Confident	5 Å²	5	41.6 Å²	41.6	3%	0.026	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.5	176.7	-72	155.3	0	0	0	110.5	L318 L323 F332 Q361 D364 L792 A793	L318-L766 HydrophobicContact CD2-CD1 3.7Å; L323-L766 HydrophobicContact CD2-CD1 3.86Å; L323-L766 HydrophobicContact CD2-CD2 4.34Å; L323-L766 HydrophobicContact CD2-CG 4.1Å; F332-L766 HydrophobicContact CB-CD1 4.24Å; F332-L766 HydrophobicContact CB-CD2 4.12Å; F332-L766 HydrophobicContact CD1-CB 4.35Å; F332-L766 HydrophobicContact CD1-CD2 4.47Å; F332-L766 HydrophobicContact CD2-CB 3.62Å; F332-L766 HydrophobicContact CD2-CD1 3.79Å; F332-L766 HydrophobicContact CD2-CD2 4.41Å; F332-L766 HydrophobicContact CD2-CG 4.15Å; F332-L766 HydrophobicContact CE1-CB 4.22Å; F332-L766 HydrophobicContact CE2-CB 3.45Å; F332-L766 VanDerWaalsContact CE2-CB 3.45Å; F332-L766 HydrophobicContact CE2-CD1 4.39Å; F332-L766 HydrophobicContact CE2-CG 4.45Å; F332-L766 HydrophobicContact CG-CB 4.07Å; F332-L766 HydrophobicContact CG-CD1 4.22Å; F332-L766 HydrophobicContact CG-CD2 4.14Å; F332-L766 HydrophobicContact CG-CG 4.38Å; F332-L766 HydrophobicContact CZ-CB 3.77Å; Q361-L766 HydrophobicContact CB-CD1 3.96Å; Q361-L766 HydrophobicContact CG-CD1 3.97Å; D364-L766 HydrophobicContact CB-CB 4.23Å; D364-L766 PolarHBondContact OD2-N 2.81Å; L766-L792 CarbonylContact C-O 3.45Å; L766-L792 WeakPolarHBondContact CA-O 3.17Å; L766-A793 HydrophobicContact CD2-CB 3.62Å
767	I	90.6	Very high	80.8	Confident	14 Å²	14	37 Å²	37	7%	0.072	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.8	-175.2	-53.8	179.8	0	0	0	110	F402 F732 L769 G791 L792 I794	F402-I767 HydrophobicContact CB-CG2 3.78Å; F402-I767 HydrophobicContact CD2-CD1 3.81Å; F402-I767 HydrophobicContact CD2-CG1 4.02Å; F402-I767 HydrophobicContact CD2-CG2 4Å; F402-I767 HydrophobicContact CE2-CD1 3.62Å; F402-I767 HydrophobicContact CE2-CG1 4.25Å; F402-I767 HydrophobicContact CG-CD1 4.41Å; F402-I767 HydrophobicContact CG-CG2 3.86Å; F402-I767 HydrophobicContact CZ-CD1 4.08Å; F732-I767 HydrophobicContact CD2-CD1 4.5Å; F732-I767 HydrophobicContact CE2-CD1 4.19Å; I767-L769 HydrophobicContact CB-CD2 4.35Å; I767-L769 HydrophobicContact CG2-CD2 3.6Å; I767-L769 HydrophobicContact CG2-CG 4.26Å; I767-G791 WeakPolarHBondContact O-CA 3.32Å; I767-L792 PolarHBondContact N-O 2.64Å; I767-L792 PolarHBondContact O-N 3.23Å; I767-I794 HydrophobicContact CD1-CD1 3.63Å
768	L	92.4	Very high	82.4	Confident	4 Å²	4	35.6 Å²	35.6	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	99.3	171.2	179.6	65.6	0	0	0	109.6	F332 L333 I336 S368 T770 D771 Q789	F332-L768 HydrophobicContact CE1-CB 4.26Å; L333-L768 HydrophobicContact CD2-CD1 3.53Å; I336-L768 HydrophobicContact CD1-CD2 4.42Å; S368-L768 WeakPolarHBondContact O-CD2 3.26Å; L768-T770 WeakPolarHBondContact CD1-O 3.41Å; L768-D771 HydrophobicContact CD1-CB 4.16Å; L768-D771 HydrophobicContact CD2-CB 3.98Å; L768-D771 HydrophobicContact CG-CB 3.95Å; L768-Q789 HydrophobicContact CD1-CB 4.37Å
769	L	86	Confident	83.7	Confident	8 Å²	8	28.6 Å²	28.6	4%	0.042	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-59.5	-174.2	-61.7	178.3	0	0	0	112.9	L211 L694 F732 I767 G790 L792 L819	L211-L769 HydrophobicContact CD1-CB 4.22Å; L211-L769 HydrophobicContact CD2-CB 4.33Å; L694-L769 HydrophobicContact CB-CD1 4.43Å; L694-L769 HydrophobicContact CD1-CD1 4.27Å; L694-L769 HydrophobicContact CD2-CD1 4.27Å; F732-L769 HydrophobicContact CD1-CD2 4.01Å; F732-L769 HydrophobicContact CD2-CD2 3.55Å; F732-L769 HydrophobicContact CE1-CD1 4.24Å; F732-L769 HydrophobicContact CE1-CD2 3.98Å; F732-L769 HydrophobicContact CE2-CD2 3.5Å; F732-L769 HydrophobicContact CG-CD2 3.8Å; F732-L769 HydrophobicContact CZ-CD1 4.01Å; F732-L769 HydrophobicContact CZ-CD2 3.71Å; I767-L769 HydrophobicContact CB-CD2 4.35Å; I767-L769 HydrophobicContact CG2-CD2 3.6Å; I767-L769 HydrophobicContact CG2-CG 4.26Å; L769-G790 PolarHBondContact N-O 2.7Å; L769-L792 HydrophobicContact CD1-CB 3.65Å; L769-L792 HydrophobicContact CD1-CD2 3.97Å; L769-L792 HydrophobicContact CD1-CG 4.4Å; L769-L792 HydrophobicContact CG-CB 4.12Å; L769-L819 HydrophobicContact CD1-CD1 4.08Å
770	T	87.8	Confident	85	Confident	7 Å²	7	25.3 Å²	25.3	4%	0.043	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	133.8	173.1	-64.6	0	0	0	0	107.5	L211 V213 V243 L768 Q789 G790	L211-T770 WeakPolarHBondContact O-CB 3.25Å; L211-T770 VanDerWaalsContact O-CG2 3.27Å; L211-T770 WeakPolarHBondContact O-CG2 3.47Å; L211-T770 PolarHBondContact O-OG1 2.72Å; V213-T770 HydrophobicContact CG2-CG2 4.32Å; V243-T770 HydrophobicContact CG1-CG2 4.47Å; L768-T770 WeakPolarHBondContact CD1-O 3.41Å; T770-Q789 CarbonylContact O-C 3.57Å; T770-Q789 VanDerWaalsContact O-CA 3.26Å; T770-Q789 WeakPolarHBondContact O-CA 3.47Å; T770-G790 PolarHBondContact N-O 3.07Å; T770-G790 PolarHBondContact O-N 2.76Å
771	D	91.8	Very high	86.2	Confident	1 Å²	1	19.7 Å²	19.7	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	113.8	176.1	-171	46.9	0	0	0	108.3	F204 T206 R340 S404 H405 L768 F788 Q789	F204-D771 WeakPolarHBondContact CE2-OD2 3.29Å; T206-D771 PolarHBondContact N-O 2.86Å; R340-D771 IonicContact CZ-OD1 3.35Å; R340-D771 IonicContact CZ-OD2 3.89Å; R340-D771 IonicContact NH1-OD1 3.23Å; R340-D771 PolarHBondContact NH1-OD1 3.32Å; R340-D771 IonicContact NH1-OD2 2.58Å; R340-D771 IonicContact NH2-OD1 2.69Å; R340-D771 PolarHBondContact NH2-OD1 2.96Å; R340-D771 IonicContact NH2-OD2 2.78Å; R340-D771 PolarHBondContact NH2-OD2 2.93Å; S404-D771 WeakPolarHBondContact OG-CB 3.34Å; S404-D771 PolarHBondContact OG-OD2 3.14Å; H405-D771 IonicContact CE1-OD2 2.73Å; H405-D771 PolarHBondContact CE1-OD2 3.07Å; H405-D771 VanDerWaalsContact CE1-OD2 3.22Å; H405-D771 IonicContact ND1-OD2 2.73Å; H405-D771 PolarHBondContact ND1-OD2 2.68Å; L768-D771 HydrophobicContact CD1-CB 4.16Å; L768-D771 HydrophobicContact CD2-CB 3.98Å; L768-D771 HydrophobicContact CG-CB 3.95Å; D771-F788 WeakPolarHBondContact CA-O 3.39Å; D771-Q789 PolarHBondContact OD1-NE2 3.38Å
772	H	92.3	Very high	87.3	Confident	14 Å²	14	15 Å²	15	7%	0.065	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	130.4	-175.3	171.8	98	0	0	0	108.3	F204 T205 V213 E787 F788	F204-H772 WeakPolarHBondContact O-CA 3.48Å; T205-H772 WeakPolarHBondContact CB-ND1 3.46Å; T205-H772 PolarHBondContact OG1-ND1 2.95Å; V213-H772 HydrophobicContact CB-CB 4.25Å; V213-H772 HydrophobicContact CG2-CB 3.68Å; H772-E787 WeakPolarHBondContact O-CA 3.42Å; H772-F788 HydrophobicContact CB-CB 4.29Å; H772-F788 PolarHBondContact N-O 3.2Å; H772-F788 PolarHBondContact O-N 2.8Å
773	S	91.1	Very high	88.4	Confident	24 Å²	24	13.7 Å²	13.7	17%	0.168	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	120.2	176.9	-175.2	0	0	0	0	108.4	G203 F204 A786	G203-S773 CarbonylContact C-O 3.54Å; G203-S773 WeakPolarHBondContact CA-O 3.03Å; F204-S773 VanDerWaalsContact CZ-CB 3.41Å; F204-S773 PolarHBondContact N-O 2.97Å; F204-S773 PolarHBondContact O-N 3.28Å; S773-A786 WeakPolarHBondContact CA-O 3.42Å
774	E	87.5	Confident	89.2	Confident	30 Å²	30	11.4 Å²	11.4	14%	0.14	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	137.7	175.9	-174.2	174.2	165.2	0	0	110.4	R215 V776 N785 A786	R215-E774 WeakPolarHBondContact CD-OE2 3.27Å; R215-E774 IonicContact CZ-OE1 2.86Å; R215-E774 IonicContact CZ-OE2 3.64Å; R215-E774 IonicContact NE-OE2 2.69Å; R215-E774 IonicContact NH1-OE1 2.71Å; R215-E774 PolarHBondContact NH1-OE1 3.01Å; R215-E774 IonicContact NH1-OE2 2.67Å; R215-E774 PolarHBondContact NH1-OE2 2.7Å; R215-E774 VanDerWaalsContact NH1-OE2 3.1Å; E774-V776 HydrophobicContact CG-CG2 3.91Å; E774-V776 WeakPolarHBondContact OE1-CG2 3.15Å; E774-N785 WeakPolarHBondContact O-CA 3.47Å; E774-A786 PolarHBondContact N-O 2.74Å; E774-A786 PolarHBondContact O-N 2.89Å
775	V	87.3	Confident	89.6	Confident	30 Å²	30	10.8 Å²	10.8	18%	0.182	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	115.1	164.8	-176.4	0	0	0	0	108.7	E201 K783 A784	E201-V775 HydrophobicContact CB-CB 4.24Å; E201-V775 WeakPolarHBondContact OE2-CG1 3.29Å; V775-K783 HydrophobicContact CG1-CD 3.84Å; V775-K783 HydrophobicContact CG1-CG 3.81Å; V775-A784 CarbonylContact C-O 3.54Å; V775-A784 WeakPolarHBondContact CA-O 3.3Å
776	V	87.6	Confident	89.8	Confident	4 Å²	4	10.3 Å²	10.3	2%	0.024	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	111.3	177.9	177	0	0	0	0	108.8	E774 L778 A784	E774-V776 HydrophobicContact CG-CG2 3.91Å; E774-V776 WeakPolarHBondContact OE1-CG2 3.15Å; V776-L778 HydrophobicContact CG1-CD2 3.85Å; V776-L778 HydrophobicContact CG1-CG 4.37Å; V776-L778 PolarHBondContact O-N 2.91Å; V776-A784 HydrophobicContact CB-CB 4.22Å; V776-A784 PolarHBondContact N-O 3.05Å; V776-A784 PolarHBondContact O-N 2.99Å
777	Q	88.7	Confident	89.8	Confident	14 Å²	14	12.1 Å²	12.1	7%	0.065	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	104.4	170.1	177.6	63.7	74	0	0	109.8	V173 P294 G781 L782	V173-Q777 HydrophobicContact CG2-CG 4.44Å; V173-Q777 WeakPolarHBondContact O-CG 2.99Å; P294-Q777 HydrophobicContact CB-CG 4.26Å; P294-Q777 HydrophobicContact CG-CG 4.01Å; Q777-G781 PolarHBondContact NE2-O 2.6Å; Q777-G781 VanDerWaalsContact NE2-O 3.09Å; Q777-L782 PolarHBondContact NE2-O 2.73Å; Q777-L782 VanDerWaalsContact NE2-O 3.07Å
778	L	91.1	Very high	89.9	Confident	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.061	C	C	.	.			trans	-72.6	151	179.9	-60	167.9	0	0	0	111	L45 E237 H239 I253 V776 S780 G781 L782 A784	L45-L778 HydrophobicContact CD1-CD1 3.98Å; E237-L778 HydrophobicContact CG-CD2 4.29Å; E237-L778 WeakPolarHBondContact OE2-CA 3.32Å; H239-L778 WeakPolarHBondContact NE2-CD2 3.26Å; I253-L778 HydrophobicContact CG2-CD1 4.12Å; I253-L778 HydrophobicContact CG2-CD2 4.11Å; V776-L778 HydrophobicContact CG1-CD2 3.85Å; V776-L778 HydrophobicContact CG1-CG 4.37Å; V776-L778 PolarHBondContact O-N 2.91Å; L778-S780 PolarHBondContact O-N 2.65Å; L778-G781 PolarHBondContact O-N 2.74Å; L778-L782 HydrophobicContact CB-CB 4.37Å; L778-L782 WeakPolarHBondContact CB-O 3.41Å; L778-L782 HydrophobicContact CD1-CB 4.03Å; L778-L782 PolarHBondContact N-O 3.06Å; L778-A784 HydrophobicContact CD1-CB 4.23Å; L778-A784 HydrophobicContact CG-CB 4.5Å
779	Q	91.1	Very high	90	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.005	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-23.6	178.3	-168.2	-176.9	-82	0	0	113	G154 V173 K192 S219 T221 E237 G781	G154-Q779 VanDerWaalsContact CA-O 3.25Å; G154-Q779 WeakPolarHBondContact CA-O 3.24Å; V173-Q779 WeakPolarHBondContact CG1-O 2.97Å; K192-Q779 VanDerWaalsContact NZ-OE1 3.14Å; S219-Q779 PolarHBondContact OG-OE1 3.03Å; T221-Q779 PolarHBondContact OG1-NE2 2.73Å; E237-Q779 WeakPolarHBondContact OE2-CB 3.26Å; E237-Q779 PolarHBondContact OE2-N 3.38Å; Q779-G781 PolarHBondContact O-N 3.19Å
780	S	91.5	Very high	90.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-7.3	170.2	46.6	0	0	0	0	114.1	T43 S255 L778 L782	T43-S780 WeakPolarHBondContact OG1-CB 3.35Å; S255-S780 PolarHBondContact OG-OG 2.69Å; L778-S780 PolarHBondContact O-N 2.65Å; S780-L782 VanDerWaalsContact C-N 3.26Å; S780-L782 WeakPolarHBondContact OG-CG 3.49Å
781	G	88.9	Confident	90.4	Very high	4 Å²	4	10.8 Å²	10.8	4%	0.041	6%	0.057	C	C	.	.	S	Bend	trans	85.4	-5.5	-172.5	0	0	0	0	0	113.6	N150 Q777 L778 Q779	N150-G781 WeakPolarHBondContact CB-O 3.11Å; N150-G781 WeakPolarHBondContact O-CA 3.38Å; Q777-G781 PolarHBondContact NE2-O 2.6Å; Q777-G781 VanDerWaalsContact NE2-O 3.09Å; L778-G781 PolarHBondContact O-N 2.74Å; Q779-G781 PolarHBondContact O-N 3.19Å
782	L	89.8	Confident	90.3	Very high	5 Å²	5	10.8 Å²	10.8	3%	0.026	6%	0.057	C	C	.	.	P	Polyproline II helix	trans	-72.8	138.1	176.9	-58.5	-179.3	0	0	0	111.4	L45 Y60 L151 Q777 L778 S780 V827 M829	L45-L782 HydrophobicContact CB-CD1 4.09Å; L45-L782 HydrophobicContact CD1-CD1 4.37Å; Y60-L782 HydrophobicContact CE2-CD1 4.11Å; Y60-L782 HydrophobicContact CE2-CD2 4.5Å; L151-L782 HydrophobicContact CD2-CD2 3.97Å; Q777-L782 PolarHBondContact NE2-O 2.73Å; Q777-L782 VanDerWaalsContact NE2-O 3.07Å; L778-L782 HydrophobicContact CB-CB 4.37Å; L778-L782 WeakPolarHBondContact CB-O 3.41Å; L778-L782 HydrophobicContact CD1-CB 4.03Å; L778-L782 PolarHBondContact N-O 3.06Å; S780-L782 VanDerWaalsContact C-N 3.26Å; S780-L782 WeakPolarHBondContact OG-CG 3.49Å; L782-V827 HydrophobicContact CB-CG1 3.91Å; L782-V827 HydrophobicContact CD1-CG1 4.4Å; L782-M829 HydrophobicContact CD2-CE 3.39Å; L782-M829 HydrophobicContact CD2-CG 4.05Å; L782-M829 HydrophobicContact CD2-SD 3.62Å
783	K	87.8	Confident	90.2	Very high	24 Å²	24	10.1 Å²	10.1	10%	0.104	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	116.2	173.5	170.2	165.8	167.6	155	0	110	E201 L297 V775 N785 V827 D828	E201-K783 IonicContact OE1-NZ 2.73Å; E201-K783 PolarHBondContact OE1-NZ 2.75Å; L297-K783 HydrophobicContact CB-CD 4.33Å; L297-K783 HydrophobicContact CD1-CB 4.19Å; L297-K783 HydrophobicContact CD1-CD 4.35Å; V775-K783 HydrophobicContact CG1-CD 3.84Å; V775-K783 HydrophobicContact CG1-CG 3.81Å; K783-N785 WeakPolarHBondContact CE-OD1 3.37Å; K783-V827 WeakPolarHBondContact O-CG1 3.21Å; K783-D828 PolarHBondContact O-N 2.79Å
784	A	89.9	Confident	89.9	Confident	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	140.2	170.1	0	0	0	0	0	110.7	I253 V775 V776 L778 T826 V827	I253-A784 HydrophobicContact CD1-CB 3.87Å; V775-A784 CarbonylContact C-O 3.54Å; V775-A784 WeakPolarHBondContact CA-O 3.3Å; V776-A784 HydrophobicContact CB-CB 4.22Å; V776-A784 PolarHBondContact N-O 3.05Å; V776-A784 PolarHBondContact O-N 2.99Å; L778-A784 HydrophobicContact CD1-CB 4.23Å; L778-A784 HydrophobicContact CG-CB 4.5Å; A784-T826 CarbonylContact C-O 3.5Å; A784-T826 WeakPolarHBondContact CA-O 3.35Å; A784-V827 HydrophobicContact CB-CG2 3.72Å
785	N	90.1	Very high	89.7	Confident	28 Å²	28	8.5 Å²	8.5	15%	0.15	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	129.1	168.1	-32.2	-81.3	0	0	0	108	E774 K783 V825 T826	E774-N785 WeakPolarHBondContact O-CA 3.47Å; K783-N785 WeakPolarHBondContact CE-OD1 3.37Å; N785-V825 WeakPolarHBondContact O-CA 3.45Å; N785-T826 PolarHBondContact N-O 3.23Å; N785-T826 PolarHBondContact ND2-OG1 2.98Å; N785-T826 VanDerWaalsContact ND2-OG1 3.17Å; N785-T826 PolarHBondContact O-N 2.86Å; N785-T826 PolarHBondContact O-OG1 3.16Å
786	A	91.2	Very high	89.2	Confident	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	115.7	175.4	0	0	0	0	0	109.3	L241 S773 E774 F788 V825	L241-A786 HydrophobicContact CD1-CB 4.35Å; L241-A786 HydrophobicContact CD2-CB 3.87Å; S773-A786 WeakPolarHBondContact CA-O 3.42Å; E774-A786 PolarHBondContact N-O 2.74Å; E774-A786 PolarHBondContact O-N 2.89Å; A786-F788 HydrophobicContact CB-CE2 4.43Å; A786-V825 HydrophobicContact CB-CG2 4.04Å
787	E	92.3	Very high	88.4	Confident	42 Å²	42	7.8 Å²	7.8	20%	0.196	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.1	179.5	-64.4	177.2	-170	0	0	108.7	Q337 H772 G823 N824	Q337-E787 VanDerWaalsContact CD-OE2 3.3Å; Q337-E787 PolarHBondContact NE2-OE2 3.23Å; Q337-E787 PolarHBondContact OE1-OE2 2.9Å; H772-E787 WeakPolarHBondContact O-CA 3.42Å; E787-G823 CarbonylContact O-C 3.44Å; E787-G823 WeakPolarHBondContact O-CA 3.24Å; E787-N824 PolarHBondContact N-O 2.89Å; E787-N824 PolarHBondContact O-N 2.96Å
788	F	92.7	Very high	87.5	Confident	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127.3	176.1	-76.5	-99.7	0	0	0	109.4	V213 L241 V243 A251 D771 H772 A786 T822 G823 V825 V838	V213-F788 HydrophobicContact CG1-CD2 4.42Å; V213-F788 HydrophobicContact CG2-CB 3.78Å; V213-F788 HydrophobicContact CG2-CG 4.17Å; L241-F788 HydrophobicContact CB-CD2 4.46Å; L241-F788 HydrophobicContact CB-CE2 3.54Å; L241-F788 HydrophobicContact CB-CZ 3.8Å; L241-F788 HydrophobicContact CD2-CE2 4.33Å; L241-F788 HydrophobicContact CG-CE2 4.47Å; L241-F788 WeakPolarHBondContact O-CZ 3.44Å; V243-F788 HydrophobicContact CG2-CD1 3.76Å; V243-F788 HydrophobicContact CG2-CE1 4.43Å; A251-F788 HydrophobicContact CB-CZ 4.26Å; D771-F788 WeakPolarHBondContact CA-O 3.39Å; H772-F788 HydrophobicContact CB-CB 4.29Å; H772-F788 PolarHBondContact N-O 3.2Å; H772-F788 PolarHBondContact O-N 2.8Å; A786-F788 HydrophobicContact CB-CE2 4.43Å; F788-T822 CarbonylContact C-O 3.6Å; F788-T822 VanDerWaalsContact CA-O 3.32Å; F788-T822 WeakPolarHBondContact CA-O 3.17Å; F788-G823 VanDerWaalsContact CD1-CA 3.44Å; F788-V825 HydrophobicContact CE2-CG2 4.13Å; F788-V825 HydrophobicContact CZ-CG2 4.41Å; F788-V838 HydrophobicContact CE1-CG2 4.42Å
789	Q	92.8	Very high	86.3	Confident	6 Å²	6	8.3 Å²	8.3	3%	0.028	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	147.1	-175.7	-54.5	-168.2	-85.9	0	0	111.6	L333 Q337 R340 L768 T770 D771 V821 T822	L333-Q789 HydrophobicContact CD1-CB 4.09Å; L333-Q789 HydrophobicContact CD2-CB 3.78Å; L333-Q789 HydrophobicContact CG-CB 4.48Å; Q337-Q789 VanDerWaalsContact CG-OE1 3.27Å; R340-Q789 VanDerWaalsContact NH1-NE2 3.14Å; L768-Q789 HydrophobicContact CD1-CB 4.37Å; T770-Q789 CarbonylContact O-C 3.57Å; T770-Q789 VanDerWaalsContact O-CA 3.26Å; T770-Q789 WeakPolarHBondContact O-CA 3.47Å; D771-Q789 PolarHBondContact OD1-NE2 3.38Å; Q789-V821 CarbonylContact O-C 3.41Å; Q789-V821 VanDerWaalsContact O-CA 3.31Å; Q789-V821 WeakPolarHBondContact O-CA 2.9Å; Q789-T822 PolarHBondContact N-O 3.21Å; Q789-T822 PolarHBondContact O-N 2.91Å
790	G	91.9	Very high	85.2	Confident	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	108.5	178.2	0	0	0	0	0	109.4	L769 T770 V820	L769-G790 PolarHBondContact N-O 2.7Å; T770-G790 PolarHBondContact N-O 3.07Å; T770-G790 PolarHBondContact O-N 2.76Å; G790-V820 CarbonylContact C-O 3.55Å; G790-V820 WeakPolarHBondContact CA-O 3.43Å
791	G	91.6	Very high	84.2	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.4	177.8	0	0	0	0	0	110	P329 I767 L819 V820	P329-G791 VanDerWaalsContact CB-O 3.28Å; P329-G791 WeakPolarHBondContact CB-O 3Å; I767-G791 WeakPolarHBondContact O-CA 3.32Å; G791-L819 WeakPolarHBondContact O-CA 3.2Å; G791-V820 PolarHBondContact N-O 2.94Å; G791-V820 PolarHBondContact O-N 2.76Å
792	L	89.4	Confident	83.3	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.6	172.9	177.2	70.6	0	0	0	109.4	L694 F695 F697 F732 L766 I767 L769 I794 A818 L819	L694-L792 WeakPolarHBondContact O-CD2 3.4Å; F695-L792 HydrophobicContact CD1-CD1 4.14Å; F695-L792 HydrophobicContact CE1-CD1 4.19Å; F697-L792 HydrophobicContact CE2-CD2 4.16Å; F697-L792 HydrophobicContact CZ-CD2 3.98Å; F732-L792 HydrophobicContact CE2-CD2 3.97Å; F732-L792 HydrophobicContact CZ-CD2 3.67Å; L766-L792 CarbonylContact C-O 3.45Å; L766-L792 WeakPolarHBondContact CA-O 3.17Å; I767-L792 PolarHBondContact N-O 2.64Å; I767-L792 PolarHBondContact O-N 3.23Å; L769-L792 HydrophobicContact CD1-CB 3.65Å; L769-L792 HydrophobicContact CD1-CD2 3.97Å; L769-L792 HydrophobicContact CD1-CG 4.4Å; L769-L792 HydrophobicContact CG-CB 4.12Å; L792-I794 HydrophobicContact CD2-CD1 3.8Å; L792-I794 HydrophobicContact CD2-CG1 3.68Å; L792-I794 HydrophobicContact CG-CD1 4.48Å; L792-I794 HydrophobicContact CG-CG1 3.88Å; L792-A818 CarbonylContact C-O 3.45Å; L792-A818 WeakPolarHBondContact CA-O 3.39Å; L792-L819 HydrophobicContact CB-CD1 4Å; L792-L819 HydrophobicContact CD1-CB 4.19Å; L792-L819 HydrophobicContact CD1-CD1 4.25Å
793	A	90.9	Very high	82.2	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	136	162.9	0	0	0	0	0	109.2	L323 G765 L766 G817 A818	L323-A793 HydrophobicContact CB-CB 4.48Å; L323-A793 WeakPolarHBondContact O-CB 3.4Å; G765-A793 WeakPolarHBondContact O-CA 3.29Å; L766-A793 HydrophobicContact CD2-CB 3.62Å; A793-G817 CarbonylContact O-C 3.48Å; A793-G817 WeakPolarHBondContact O-CA 3.25Å; A793-A818 HydrophobicContact CB-CB 4.41Å; A793-A818 PolarHBondContact N-O 3.02Å; A793-A818 PolarHBondContact O-N 2.86Å
794	I	83.6	Confident	81.3	Confident	4 Å²	4	25.7 Å²	25.7	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.5	179.2	-58.1	173.2	0	0	0	109.1	F697 K764 G765 I767 L792 I796	F697-I794 HydrophobicContact CD2-CD1 4.27Å; F697-I794 HydrophobicContact CD2-CG1 4.4Å; F697-I794 HydrophobicContact CD2-CG2 4.1Å; F697-I794 HydrophobicContact CE1-CD1 3.88Å; F697-I794 HydrophobicContact CE2-CD1 3.57Å; F697-I794 HydrophobicContact CE2-CG1 3.76Å; F697-I794 HydrophobicContact CE2-CG2 4.3Å; F697-I794 HydrophobicContact CZ-CD1 3.35Å; F697-I794 HydrophobicContact CZ-CG1 4.06Å; K764-I794 WeakPolarHBondContact CA-O 3.43Å; G765-I794 PolarHBondContact N-O 3.31Å; G765-I794 PolarHBondContact O-N 3.1Å; I767-I794 HydrophobicContact CD1-CD1 3.63Å; L792-I794 HydrophobicContact CD2-CD1 3.8Å; L792-I794 HydrophobicContact CD2-CG1 3.68Å; L792-I794 HydrophobicContact CG-CD1 4.48Å; L792-I794 HydrophobicContact CG-CG1 3.88Å; I794-I796 HydrophobicContact CG2-CD1 4.16Å; I794-I796 HydrophobicContact CG2-CG1 3.71Å
795	D	84.3	Confident	80.4	Confident	17 Å²	17	36.2 Å²	36.2	9%	0.091	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	90.2	174.8	-175	-3.3	0	0	0	109.5	K764 R816	K764-D795 WeakPolarHBondContact CE-OD1 3.42Å; K764-D795 VanDerWaalsContact CE-OD2 3.24Å; K764-D795 WeakPolarHBondContact CE-OD2 3.11Å; K764-D795 IonicContact NZ-OD1 2.86Å; K764-D795 PolarHBondContact NZ-OD1 2.94Å; K764-D795 IonicContact NZ-OD2 2.73Å; K764-D795 PolarHBondContact NZ-OD2 2.93Å; D795-R816 WeakPolarHBondContact CA-O 3.22Å; D795-R816 HydrophobicContact CB-CB 4.19Å; D795-R816 PolarHBondContact N-O 2.73Å; D795-R816 PolarHBondContact O-N 2.75Å
796	I	75.4	Confident	79.5	Confident	5 Å²	5	43.4 Å²	43.4	3%	0.026	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.3	175	-49.4	177.9	0	0	0	109.3	F697 V699 V762 V763 I794 V813 N815	F697-I796 HydrophobicContact CB-CD1 3.29Å; F697-I796 HydrophobicContact CB-CG1 4.08Å; F697-I796 HydrophobicContact CG-CD1 3.99Å; V699-I796 HydrophobicContact CG2-CG2 3.69Å; V762-I796 HydrophobicContact CB-CG2 4.33Å; V762-I796 PolarHBondContact N-O 2.99Å; V763-I796 HydrophobicContact CB-CB 4.34Å; V763-I796 HydrophobicContact CB-CD1 3.85Å; V763-I796 HydrophobicContact CB-CG1 4.21Å; V763-I796 HydrophobicContact CG2-CD1 4.07Å; V763-I796 PolarHBondContact N-O 2.84Å; V763-I796 PolarHBondContact O-N 2.67Å; I794-I796 HydrophobicContact CG2-CD1 4.16Å; I794-I796 HydrophobicContact CG2-CG1 3.71Å; I796-V813 HydrophobicContact CG2-CG1 4.06Å; I796-N815 HydrophobicContact CG1-CB 4.38Å; I796-N815 HydrophobicContact CG2-CB 4.49Å
797	S	72	Confident	78.6	Confident	13 Å²	13	49.8 Å²	49.8	9%	0.091	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	141.8	170.5	56.4	0	0	0	0	111.8	M760 V813 N814	M760-S797 CarbonylContact O-C 3.55Å; M760-S797 WeakPolarHBondContact O-CA 3.04Å; M760-S797 WeakPolarHBondContact O-CB 2.96Å; S797-V813 CarbonylContact O-C 3.58Å; S797-V813 WeakPolarHBondContact O-CA 3.01Å; S797-N814 PolarHBondContact N-O 2.96Å; S797-N814 PolarHBondContact O-N 2.72Å; S797-N814 PolarHBondContact OG-O 3.13Å
798	G	68.8	Low	77.8	Confident	21 Å²	21	51.1 Å²	51.1	22%	0.216	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.8	175.1	0	0	0	0	0	110.5	M760 S812	M760-G798 PolarHBondContact N-O 3.35Å; M760-G798 PolarHBondContact O-N 2.86Å; G798-S812 CarbonylContact C-O 3.59Å; G798-S812 WeakPolarHBondContact CA-O 2.95Å
799	G	65.7	Low	76.9	Confident	4 Å²	4	51.4 Å²	51.4	4%	0.041	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	138.6	170.1	0	0	0	0	0	109.9	S812	G799-S812 PolarHBondContact N-O 2.86Å; G799-S812 PolarHBondContact O-N 2.7Å; G799-S812 PolarHBondContact O-OG 3.48Å; G799-S812 VanDerWaalsContact O-OG 3.08Å
800	M	69	Low	76.1	Confident	55 Å²	55	55.5 Å²	55.5	27%	0.271	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	130.9	178.7	-178.4	-179.2	68.6	0	0	110.4	M755 I802 K810	M755-M800 HydrophobicContact CE-CB 3.91Å; M755-M800 HydrophobicContact CE-CE 3.81Å; M755-M800 HydrophobicContact SD-CE 3.74Å; M800-I802 HydrophobicContact CE-CD1 3.68Å; M800-I802 HydrophobicContact CE-CG1 4.32Å; M800-I802 HydrophobicContact CG-CD1 4.44Å; M800-I802 HydrophobicContact CG-CG1 4.15Å; M800-I802 HydrophobicContact SD-CD1 3.94Å; M800-I802 HydrophobicContact SD-CG1 4.28Å; M800-K810 WeakPolarHBondContact CA-O 3.18Å
801	E	70.8	Confident	75.2	Confident	115 Å²	115	57.1 Å²	57.1	54%	0.537	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	131.5	176.8	-63.4	167.9	176.1	0	0	107.8	S809 K810	E801-S809 CarbonylContact O-C 3.54Å; E801-S809 VanDerWaalsContact O-CA 3.31Å; E801-S809 WeakPolarHBondContact O-CA 3.45Å; E801-K810 HydrophobicContact CB-CB 4.46Å; E801-K810 PolarHBondContact N-O 2.86Å; E801-K810 PolarHBondContact O-N 3.43Å
802	I	68.8	Low	74.3	Confident	75 Å²	75	58.3 Å²	58.3	39%	0.385	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	127.1	175.6	-60.2	176.6	0	0	0	108.9	M752 M800 L804	M752-I802 HydrophobicContact CE-CB 4.36Å; M752-I802 HydrophobicContact CE-CD1 4.3Å; M752-I802 HydrophobicContact CE-CG2 4.01Å; M800-I802 HydrophobicContact CE-CD1 3.68Å; M800-I802 HydrophobicContact CE-CG1 4.32Å; M800-I802 HydrophobicContact CG-CD1 4.44Å; M800-I802 HydrophobicContact CG-CG1 4.15Å; M800-I802 HydrophobicContact SD-CD1 3.94Å; M800-I802 HydrophobicContact SD-CG1 4.28Å; I802-L804 HydrophobicContact CG2-CD2 4.34Å
803	S	68	Low	73.6	Confident	38 Å²	38	58.8 Å²	58.8	27%	0.266	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	105.4	167.2	-177.8	0	0	0	0	110.6	W805 Y806 R807 E808	S803-W805 PolarHBondContact O-N 2.94Å; S803-W805 PolarHBondContact OG-N 3.38Å; S803-Y806 WeakPolarHBondContact OG-CD2 3.38Å; S803-Y806 PolarHBondContact OG-N 2.92Å; S803-Y806 VanDerWaalsContact OG-N 3.16Å; S803-R807 WeakPolarHBondContact O-CA 3.25Å; S803-R807 PolarHBondContact O-N 3.29Å; S803-E808 PolarHBondContact N-O 2.85Å; S803-E808 PolarHBondContact O-N 2.79Å
804	L	68.1	Low	72.9	Confident	117 Å²	117	59.9 Å²	59.9	61%	0.613	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-22	170.9	-61.5	175.8	0	0	0	112.4	M752 I802 F854	M752-L804 HydrophobicContact CE-CD1 4.45Å; I802-L804 HydrophobicContact CG2-CD2 4.34Å; L804-F854 HydrophobicContact CD2-CE2 4.38Å; L804-F854 HydrophobicContact CD2-CZ 4.18Å
805	W	72	Confident	72.6	Confident	221 Å²	221	59.9 Å²	59.9	84%	0.837	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-47.1	179.1	-173.8	-91.4	0	0	0	112.5	S803 R807	S803-W805 PolarHBondContact O-N 2.94Å; S803-W805 PolarHBondContact OG-N 3.38Å; W805-R807 PolarHBondContact O-N 2.81Å
806	Y	69.4	Low	72.6	Confident	179 Å²	179	64.2 Å²	64.2	70%	0.702	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-6.8	174	-63.6	-59.2	0	0	0	112.9	S803 E808	S803-Y806 WeakPolarHBondContact OG-CD2 3.38Å; S803-Y806 PolarHBondContact OG-N 2.92Å; S803-Y806 VanDerWaalsContact OG-N 3.16Å; Y806-E808 PolarHBondContact O-N 3Å
807	R	72.7	Confident	73	Confident	133 Å²	133	64.1 Å²	64.1	50%	0.502	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	45.7	-171.5	-59.9	-178.8	-178.8	-178.3	2.5	111.4	S803 W805 F854 S855	S803-R807 WeakPolarHBondContact O-CA 3.25Å; S803-R807 PolarHBondContact O-N 3.29Å; W805-R807 PolarHBondContact O-N 2.81Å; R807-F854 VanDerWaalsContact C-CD1 3.48Å; R807-F854 HydrophobicContact CB-CD2 3.76Å; R807-F854 HydrophobicContact CB-CE2 3.85Å; R807-F854 HydrophobicContact CB-CG 4.17Å; R807-F854 HydrophobicContact CB-CZ 4.34Å; R807-F854 HydrophobicContact CG-CD2 4.25Å; R807-F854 HydrophobicContact CG-CE2 4.15Å; R807-F854 WeakPolarHBondContact O-CD1 3.33Å; R807-F854 WeakPolarHBondContact O-CG 2.87Å; R807-F854 PolarHBondContact O-N 2.7Å; R807-S855 PolarHBondContact NH1-O 2.83Å
808	E	75.1	Confident	73.8	Confident	71 Å²	71	63.5 Å²	63.5	33%	0.332	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142	179.4	-170	171.2	-170.8	0	0	110.6	S803 Y806 T851 V852 Q853	S803-E808 PolarHBondContact N-O 2.85Å; S803-E808 PolarHBondContact O-N 2.79Å; Y806-E808 PolarHBondContact O-N 3Å; E808-T851 WeakPolarHBondContact OE1-CG2 3.25Å; E808-V852 CarbonylContact C-O 3.55Å; E808-V852 VanDerWaalsContact CA-O 3.25Å; E808-V852 WeakPolarHBondContact CA-O 3.15Å; E808-Q853 HydrophobicContact CG-CG 4.26Å
809	S	74.2	Confident	74.7	Confident	6 Å²	6	62.5 Å²	62.5	4%	0.042	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	138.8	170.6	171.8	0	0	0	0	109.2	E801 V852	E801-S809 CarbonylContact O-C 3.54Å; E801-S809 VanDerWaalsContact O-CA 3.31Å; E801-S809 WeakPolarHBondContact O-CA 3.45Å; S809-V852 PolarHBondContact N-O 3.48Å; S809-V852 WeakPolarHBondContact O-CA 3.46Å; S809-V852 WeakPolarHBondContact O-CB 2.9Å; S809-V852 PolarHBondContact O-N 3.48Å
810	K	76.8	Confident	75.9	Confident	92 Å²	92	62.3 Å²	62.3	40%	0.4	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	115.6	179.4	-173.5	-180	180	-176.9	0	109.6	M800 E801 T850	M800-K810 WeakPolarHBondContact CA-O 3.18Å; E801-K810 HydrophobicContact CB-CB 4.46Å; E801-K810 PolarHBondContact N-O 2.86Å; E801-K810 PolarHBondContact O-N 3.43Å; K810-T850 WeakPolarHBondContact CA-O 3.45Å
811	T	73.2	Confident	77	Confident	33 Å²	33	59.9 Å²	59.9	20%	0.202	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	135.8	175.9	-56.1	0	0	0	0	109.3	I849 T850	T811-I849 WeakPolarHBondContact O-CA 3.17Å; T811-T850 PolarHBondContact N-O 2.79Å; T811-T850 PolarHBondContact O-N 2.89Å
812	S	72.6	Confident	78	Confident	26 Å²	26	55.4 Å²	55.4	18%	0.182	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.4	175.2	59.7	0	0	0	0	109.6	G798 G799	G798-S812 CarbonylContact C-O 3.59Å; G798-S812 WeakPolarHBondContact CA-O 2.95Å; G799-S812 PolarHBondContact N-O 2.86Å; G799-S812 PolarHBondContact O-N 2.7Å; G799-S812 PolarHBondContact O-OG 3.48Å; G799-S812 VanDerWaalsContact O-OG 3.08Å
813	V	74.6	Confident	79.1	Confident	9 Å²	9	51.9 Å²	51.9	6%	0.055	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	98.4	170.8	177.9	0	0	0	0	107.2	V699 I796 S797 D847 F848	V699-V813 HydrophobicContact CB-CG1 3.8Å; V699-V813 HydrophobicContact CB-CG2 4.1Å; V699-V813 HydrophobicContact CG2-CG1 4.26Å; I796-V813 HydrophobicContact CG2-CG1 4.06Å; S797-V813 CarbonylContact O-C 3.58Å; S797-V813 WeakPolarHBondContact O-CA 3.01Å; V813-D847 WeakPolarHBondContact O-CA 3.46Å; V813-F848 HydrophobicContact CB-CB 4.44Å; V813-F848 PolarHBondContact N-O 3.08Å; V813-F848 PolarHBondContact O-N 2.84Å
814	N	76.6	Confident	80.2	Confident	24 Å²	24	51.7 Å²	51.7	13%	0.128	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	106.3	-177.7	-50	-39	0	0	0	107.4	S797	S797-N814 PolarHBondContact N-O 2.96Å; S797-N814 PolarHBondContact O-N 2.72Å; S797-N814 PolarHBondContact OG-O 3.13Å
815	N	76.4	Confident	81.4	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	108	-176.5	158.6	59.5	0	0	0	109.8	F695 V696 F697 I796 S845 L846	F695-N815 PolarHBondContact O-ND2 2.76Å; F695-N815 PolarHBondContact O-OD1 3.1Å; V696-N815 WeakPolarHBondContact CA-ND2 3.33Å; F697-N815 WeakPolarHBondContact CD2-OD1 3.37Å; F697-N815 PolarHBondContact N-ND2 2.83Å; F697-N815 VanDerWaalsContact N-ND2 3.1Å; F697-N815 WeakPolarHBondContact O-CB 3.27Å; I796-N815 HydrophobicContact CG1-CB 4.38Å; I796-N815 HydrophobicContact CG2-CB 4.49Å; N815-S845 WeakPolarHBondContact O-CA 3.03Å; N815-L846 WeakPolarHBondContact CB-O 3.41Å; N815-L846 PolarHBondContact N-O 3.27Å; N815-L846 PolarHBondContact O-N 2.79Å
816	R	83.8	Confident	82.3	Confident	109 Å²	109	36 Å²	36	41%	0.411	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	145.9	-177.6	-71.1	165.3	-175.1	169.9	4.7	110	D795 A844 S845	D795-R816 WeakPolarHBondContact CA-O 3.22Å; D795-R816 HydrophobicContact CB-CB 4.19Å; D795-R816 PolarHBondContact N-O 2.73Å; D795-R816 PolarHBondContact O-N 2.75Å; R816-A844 WeakPolarHBondContact CA-O 3.39Å; R816-S845 WeakPolarHBondContact CG-OG 3.33Å
817	G	84.1	Confident	83.3	Confident	2 Å²	2	27.4 Å²	27.4	2%	0.021	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	164.2	171.4	0	0	0	0	0	113.6	F695 A793 E843 A844	F695-G817 VanDerWaalsContact CE1-C 3.46Å; F695-G817 VanDerWaalsContact CE1-O 3.29Å; F695-G817 WeakPolarHBondContact CE1-O 3.48Å; A793-G817 CarbonylContact O-C 3.48Å; A793-G817 WeakPolarHBondContact O-CA 3.25Å; G817-E843 CarbonylContact O-C 2.81Å; G817-E843 WeakPolarHBondContact O-CA 3.43Å; G817-A844 PolarHBondContact N-O 2.94Å; G817-A844 PolarHBondContact O-N 3.34Å
818	A	88.6	Confident	83.7	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	125.4	171.3	0	0	0	0	0	109.7	K325 P329 L792 A793 T842 E843	K325-A818 VanDerWaalsContact C-CB 3.43Å; P329-A818 HydrophobicContact CG-CB 3.93Å; L792-A818 CarbonylContact C-O 3.45Å; L792-A818 WeakPolarHBondContact CA-O 3.39Å; A793-A818 HydrophobicContact CB-CB 4.41Å; A793-A818 PolarHBondContact N-O 3.02Å; A793-A818 PolarHBondContact O-N 2.86Å; A818-T842 WeakPolarHBondContact CA-O 3.04Å; A818-E843 HydrophobicContact CB-CG 4.38Å
819	L	88.3	Confident	83.7	Confident	1 Å²	1	19.3 Å²	19.3	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.1	173.8	-176.6	74.2	0	0	0	108.6	L691 L694 F695 L769 G791 L792 V821 D841 T842	L691-L819 HydrophobicContact CB-CD2 4.04Å; L691-L819 HydrophobicContact CD1-CD2 3.95Å; L691-L819 HydrophobicContact CD2-CD2 4.34Å; L691-L819 HydrophobicContact CG-CD2 4.35Å; L694-L819 HydrophobicContact CD1-CD1 4.27Å; L694-L819 HydrophobicContact CD1-CD2 3.72Å; F695-L819 HydrophobicContact CE1-CB 3.91Å; F695-L819 HydrophobicContact CE2-CB 3.62Å; F695-L819 HydrophobicContact CE2-CD2 4.05Å; F695-L819 HydrophobicContact CE2-CG 4.5Å; F695-L819 HydrophobicContact CZ-CB 3.15Å; F695-L819 HydrophobicContact CZ-CD2 4.42Å; F695-L819 HydrophobicContact CZ-CG 4.41Å; L769-L819 HydrophobicContact CD1-CD1 4.08Å; G791-L819 WeakPolarHBondContact O-CA 3.2Å; L792-L819 HydrophobicContact CB-CD1 4Å; L792-L819 HydrophobicContact CD1-CB 4.19Å; L792-L819 HydrophobicContact CD1-CD1 4.25Å; L819-V821 HydrophobicContact CD1-CG2 4.44Å; L819-V821 HydrophobicContact CD2-CG2 4.02Å; L819-V821 HydrophobicContact CG-CG2 4.02Å; L819-D841 WeakPolarHBondContact O-CA 3.45Å; L819-T842 PolarHBondContact N-O 3.49Å; L819-T842 PolarHBondContact O-N 2.79Å
820	V	91.6	Very high	83.9	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	122.3	167.4	170.9	0	0	0	0	108.7	A326 P329 R330 L333 G790 G791 T822 F840 D841	A326-V820 HydrophobicContact CB-CG2 3.84Å; A326-V820 WeakPolarHBondContact O-CG2 3.15Å; P329-V820 HydrophobicContact CB-CB 4.27Å; P329-V820 HydrophobicContact CB-CG2 4.4Å; P329-V820 HydrophobicContact CG-CB 4.16Å; P329-V820 HydrophobicContact CG-CG2 3.76Å; R330-V820 HydrophobicContact CB-CG1 4.21Å; R330-V820 HydrophobicContact CB-CG2 4.34Å; L333-V820 HydrophobicContact CD1-CG1 4.37Å; G790-V820 CarbonylContact C-O 3.55Å; G790-V820 WeakPolarHBondContact CA-O 3.43Å; G791-V820 PolarHBondContact N-O 2.94Å; G791-V820 PolarHBondContact O-N 2.76Å; V820-T822 HydrophobicContact CG1-CG2 3.86Å; V820-F840 WeakPolarHBondContact CA-O 3.14Å; V820-D841 HydrophobicContact CG2-CB 4.26Å
821	V	91	Very high	84	Confident	4 Å²	4	17.8 Å²	17.8	2%	0.024	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	117.8	173	-170.3	0	0	0	0	108.4	V243 T249 Q789 L819 S839 F840	V243-V821 HydrophobicContact CG1-CG1 4.35Å; V243-V821 HydrophobicContact CG2-CG1 3.87Å; T249-V821 HydrophobicContact CG2-CG1 4.1Å; Q789-V821 CarbonylContact O-C 3.41Å; Q789-V821 VanDerWaalsContact O-CA 3.31Å; Q789-V821 WeakPolarHBondContact O-CA 2.9Å; L819-V821 HydrophobicContact CD1-CG2 4.44Å; L819-V821 HydrophobicContact CD2-CG2 4.02Å; L819-V821 HydrophobicContact CG-CG2 4.02Å; V821-S839 CarbonylContact O-C 3.52Å; V821-S839 WeakPolarHBondContact O-CA 2.98Å; V821-S839 WeakPolarHBondContact O-CB 2.97Å; V821-F840 PolarHBondContact N-O 2.93Å; V821-F840 PolarHBondContact O-N 3.38Å
822	T	91.9	Very high	84.5	Confident	21 Å²	21	16.3 Å²	16.3	13%	0.129	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	150.5	176.4	63.5	0	0	0	0	111	L333 F788 Q789 V820 V838	L333-T822 HydrophobicContact CD1-CG2 4.13Å; F788-T822 CarbonylContact C-O 3.6Å; F788-T822 VanDerWaalsContact CA-O 3.32Å; F788-T822 WeakPolarHBondContact CA-O 3.17Å; Q789-T822 PolarHBondContact N-O 3.21Å; Q789-T822 PolarHBondContact O-N 2.91Å; V820-T822 HydrophobicContact CG1-CG2 3.86Å; T822-V838 CarbonylContact C-O 3.59Å; T822-V838 WeakPolarHBondContact CA-O 3.5Å
823	G	91.9	Very high	85.2	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	105.4	170.3	0	0	0	0	0	109.3	E787 F788 E837 V838	E787-G823 CarbonylContact O-C 3.44Å; E787-G823 WeakPolarHBondContact O-CA 3.24Å; F788-G823 VanDerWaalsContact CD1-CA 3.44Å; G823-E837 CarbonylContact O-C 3.56Å; G823-E837 WeakPolarHBondContact O-CA 2.76Å; G823-V838 PolarHBondContact N-O 2.81Å; G823-V838 WeakPolarHBondContact O-CG2 3.42Å; G823-V838 PolarHBondContact O-N 2.88Å
824	N	91.9	Very high	86	Confident	34 Å²	34	18.8 Å²	18.8	18%	0.182	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	110.5	-177.3	171.4	48.6	0	0	0	109.2	E787 T826 V836 Y879	E787-N824 PolarHBondContact N-O 2.89Å; E787-N824 PolarHBondContact O-N 2.96Å; N824-T826 VanDerWaalsContact OD1-CG2 3.26Å; N824-T826 WeakPolarHBondContact OD1-CG2 3.43Å; N824-V836 WeakPolarHBondContact CA-O 3.39Å; N824-Y879 PolarHBondContact OD1-OH 2.69Å
825	V	92.5	Very high	86.7	Confident	2 Å²	2	17.6 Å²	17.6	1%	0.012	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.3	176	177.8	0	0	0	0	108.7	L47 A251 I253 N785 A786 F788 G835 V836	L47-V825 HydrophobicContact CD2-CG1 4.18Å; A251-V825 HydrophobicContact CB-CB 4.38Å; A251-V825 HydrophobicContact CB-CG2 3.66Å; I253-V825 HydrophobicContact CD1-CG1 3.74Å; I253-V825 HydrophobicContact CG1-CG1 3.59Å; N785-V825 WeakPolarHBondContact O-CA 3.45Å; A786-V825 HydrophobicContact CB-CG2 4.04Å; F788-V825 HydrophobicContact CE2-CG2 4.13Å; F788-V825 HydrophobicContact CZ-CG2 4.41Å; V825-G835 CarbonylContact O-C 3.58Å; V825-G835 WeakPolarHBondContact O-CA 3.08Å; V825-V836 PolarHBondContact N-O 3.42Å; V825-V836 PolarHBondContact O-N 2.7Å
826	T	91.3	Very high	87.4	Confident	6 Å²	6	17.5 Å²	17.5	4%	0.037	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.8	-171.8	64.1	0	0	0	0	111.1	A784 N785 N824 A834 Y879	A784-T826 CarbonylContact C-O 3.5Å; A784-T826 WeakPolarHBondContact CA-O 3.35Å; N785-T826 PolarHBondContact N-O 3.23Å; N785-T826 PolarHBondContact ND2-OG1 2.98Å; N785-T826 VanDerWaalsContact ND2-OG1 3.17Å; N785-T826 PolarHBondContact O-N 2.86Å; N785-T826 PolarHBondContact O-OG1 3.16Å; N824-T826 VanDerWaalsContact OD1-CG2 3.26Å; N824-T826 WeakPolarHBondContact OD1-CG2 3.43Å; T826-A834 WeakPolarHBondContact CA-O 3.3Å; T826-Y879 WeakPolarHBondContact CG2-OH 3.36Å
827	V	89.4	Confident	87.8	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	122.7	167.2	-173.2	0	0	0	0	108.2	L45 L47 Y60 L782 K783 A784 R833 A834	L45-V827 HydrophobicContact CD1-CG2 3.91Å; L45-V827 HydrophobicContact CD2-CB 3.52Å; L45-V827 HydrophobicContact CD2-CG1 3.79Å; L45-V827 HydrophobicContact CD2-CG2 3.59Å; L45-V827 HydrophobicContact CG-CG2 4.36Å; L47-V827 HydrophobicContact CD1-CG2 4.2Å; L47-V827 HydrophobicContact CD2-CG2 4.12Å; Y60-V827 WeakPolarHBondContact OH-CG1 3.27Å; L782-V827 HydrophobicContact CB-CG1 3.91Å; L782-V827 HydrophobicContact CD1-CG1 4.4Å; K783-V827 WeakPolarHBondContact O-CG1 3.21Å; A784-V827 HydrophobicContact CB-CG2 3.72Å; V827-R833 WeakPolarHBondContact O-CA 3.25Å; V827-A834 PolarHBondContact N-O 2.73Å; V827-A834 PolarHBondContact O-N 3.46Å
828	D	81.4	Confident	88.1	Confident	33 Å²	33	14.8 Å²	14.8	18%	0.176	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	141.7	-173.1	-156.8	-34.7	0	0	0	110.4	K783 D830 R833	K783-D828 PolarHBondContact O-N 2.79Å; D828-D830 PolarHBondContact OD1-N 3.46Å; D828-R833 WeakPolarHBondContact OD2-CD 3.21Å; D828-R833 IonicContact OD2-NH1 2.75Å
829	M	76.3	Confident	88.2	Confident	1 Å²	1	14.9 Å²	14.9	1%	0.005	7%	0.073	C	C	.	.			trans	-129.8	16	-179.3	-56.2	-168.1	73.7	0	0	113.2	Y60 I62 T147 L151 L782 F831 L832	Y60-M829 HydrophobicContact CE2-SD 3.54Å; Y60-M829 VanDerWaalsContact CE2-SD 3.54Å; Y60-M829 WeakPolarHBondContact OH-CG 3.49Å; Y60-M829 PolarHBondContact OH-SD 3.42Å; Y60-M829 VanDerWaalsContact OH-SD 3.36Å; I62-M829 HydrophobicContact CD1-CE 3.84Å; I62-M829 HydrophobicContact CD1-SD 4.09Å; T147-M829 HydrophobicContact CG2-CB 4.08Å; T147-M829 HydrophobicContact CG2-CE 4.27Å; L151-M829 HydrophobicContact CD1-CE 3.72Å; L151-M829 HydrophobicContact CD2-CE 3.84Å; L151-M829 HydrophobicContact CG-CE 4.13Å; L782-M829 HydrophobicContact CD2-CE 3.39Å; L782-M829 HydrophobicContact CD2-CG 4.05Å; L782-M829 HydrophobicContact CD2-SD 3.62Å; M829-F831 HydrophobicContact CB-CD1 4.19Å; M829-F831 HydrophobicContact CB-CD2 4.43Å; M829-F831 HydrophobicContact CB-CE1 3.88Å; M829-F831 HydrophobicContact CB-CE2 4.15Å; M829-F831 HydrophobicContact CB-CG 4.46Å; M829-F831 HydrophobicContact CB-CZ 3.87Å; M829-F831 HydrophobicContact CE-CE1 4.21Å; M829-F831 HydrophobicContact CE-CE2 4.3Å; M829-F831 HydrophobicContact CE-CZ 3.55Å; M829-F831 WeakPolarHBondContact O-CD1 3.44Å; M829-F831 VanDerWaalsContact O-CE1 3.26Å; M829-F831 WeakPolarHBondContact O-CE1 3.03Å; M829-F831 PolarHBondContact O-N 2.72Å; M829-F831 HydrophobicContact SD-CE2 4.1Å; M829-F831 HydrophobicContact SD-CZ 3.93Å; M829-L832 WeakPolarHBondContact CB-O 3.24Å; M829-L832 PolarHBondContact N-O 2.86Å
830	D	76.8	Confident	88.3	Confident	61 Å²	61	15.3 Å²	15.3	33%	0.326	8%	0.075	S	C	.	.	S	Bend	trans	61.9	-7.6	-172.3	-41.5	-58.4	0	0	0	115.5	K118 T147 D828	K118-D830 VanDerWaalsContact NZ-CB 3.29Å; K118-D830 PolarHBondContact NZ-O 2.65Å; T147-D830 WeakPolarHBondContact CB-OD2 3.33Å; T147-D830 PolarHBondContact OG1-OD2 2.82Å; D828-D830 PolarHBondContact OD1-N 3.46Å
831	F	80.4	Confident	88.2	Confident	5 Å²	5	15.8 Å²	15.8	2%	0.022	8%	0.077	C	C	.	.	S	Bend	trans	-134	-30.1	-179.8	56.1	-99.6	0	0	0	113.4	I92 I113 L114 K118 T147 M829 L882 S883	I92-F831 HydrophobicContact CD1-CE2 4.03Å; I113-F831 HydrophobicContact CG2-CD2 3.84Å; I113-F831 HydrophobicContact CG2-CE2 4.4Å; I113-F831 WeakPolarHBondContact O-CB 3.04Å; L114-F831 HydrophobicContact CD2-CD1 3.74Å; L114-F831 HydrophobicContact CD2-CD2 4.37Å; L114-F831 HydrophobicContact CD2-CE1 3.35Å; L114-F831 HydrophobicContact CD2-CE2 4.04Å; L114-F831 HydrophobicContact CD2-CG 4.25Å; L114-F831 HydrophobicContact CD2-CZ 3.51Å; L114-F831 HydrophobicContact CG-CD1 4.49Å; L114-F831 HydrophobicContact CG-CD2 4.36Å; L114-F831 HydrophobicContact CG-CE1 4.3Å; L114-F831 HydrophobicContact CG-CE2 4.15Å; L114-F831 HydrophobicContact CG-CZ 4.12Å; K118-F831 HydrophobicContact CD-CD1 3.77Å; T147-F831 HydrophobicContact CG2-CE1 4.31Å; M829-F831 HydrophobicContact CB-CD1 4.19Å; M829-F831 HydrophobicContact CB-CD2 4.43Å; M829-F831 HydrophobicContact CB-CE1 3.88Å; M829-F831 HydrophobicContact CB-CE2 4.15Å; M829-F831 HydrophobicContact CB-CG 4.46Å; M829-F831 HydrophobicContact CB-CZ 3.87Å; M829-F831 HydrophobicContact CE-CE1 4.21Å; M829-F831 HydrophobicContact CE-CE2 4.3Å; M829-F831 HydrophobicContact CE-CZ 3.55Å; M829-F831 WeakPolarHBondContact O-CD1 3.44Å; M829-F831 VanDerWaalsContact O-CE1 3.26Å; M829-F831 WeakPolarHBondContact O-CE1 3.03Å; M829-F831 PolarHBondContact O-N 2.72Å; M829-F831 HydrophobicContact SD-CE2 4.1Å; M829-F831 HydrophobicContact SD-CZ 3.93Å; F831-L882 WeakPolarHBondContact O-CA 3.09Å; F831-S883 WeakPolarHBondContact CA-OG 3.05Å; F831-S883 PolarHBondContact O-N 3.45Å; F831-S883 PolarHBondContact O-OG 2.93Å
832	L	84.3	Confident	88	Confident	2 Å²	2	15.9 Å²	15.9	1%	0.01	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	134.1	176.7	174.4	58.4	0	0	0	107.8	Y60 I92 I104 M829 S881 L882	Y60-L832 HydrophobicContact CD1-CD1 4.4Å; Y60-L832 HydrophobicContact CD1-CD2 3.4Å; Y60-L832 VanDerWaalsContact CD1-CD2 3.4Å; Y60-L832 HydrophobicContact CD1-CG 3.73Å; Y60-L832 HydrophobicContact CD2-CD2 4.12Å; Y60-L832 HydrophobicContact CE1-CD2 3.95Å; Y60-L832 HydrophobicContact CE1-CG 3.9Å; Y60-L832 HydrophobicContact CG-CD2 3.5Å; Y60-L832 HydrophobicContact CG-CG 4.33Å; I92-L832 HydrophobicContact CG2-CD2 3.92Å; I104-L832 HydrophobicContact CD1-CD1 3.45Å; I104-L832 VanDerWaalsContact CD1-CD1 3.45Å; M829-L832 WeakPolarHBondContact CB-O 3.24Å; M829-L832 PolarHBondContact N-O 2.86Å; L832-S881 WeakPolarHBondContact CA-O 3.18Å; L832-L882 HydrophobicContact CB-CD2 4.35Å; L832-L882 HydrophobicContact CD1-CD2 3.88Å
833	R	86.8	Confident	87.8	Confident	86 Å²	86	18.1 Å²	18.1	33%	0.325	9%	0.087	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	135.2	176.1	175.1	173.8	167.2	172.5	-10.8	109.4	V827 D828 Y879 E880 S881	V827-R833 WeakPolarHBondContact O-CA 3.25Å; D828-R833 WeakPolarHBondContact OD2-CD 3.21Å; D828-R833 IonicContact OD2-NH1 2.75Å; R833-Y879 PolarHBondContact NH2-OH 2.76Å; R833-E880 CarbonylContact O-C 3.48Å; R833-E880 WeakPolarHBondContact O-CA 2.83Å; R833-S881 PolarHBondContact N-O 2.93Å; R833-S881 PolarHBondContact O-N 3.3Å
834	A	89.9	Confident	87.3	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	147.9	170	0	0	0	0	0	109.3	L45 L47 Y60 T826 V827 Y879 E880	L45-A834 HydrophobicContact CD2-CB 4.37Å; L47-A834 HydrophobicContact CD1-CB 4.02Å; Y60-A834 HydrophobicContact CD1-CB 4.24Å; Y60-A834 HydrophobicContact CE1-CB 3.9Å; T826-A834 WeakPolarHBondContact CA-O 3.3Å; V827-A834 PolarHBondContact N-O 2.73Å; V827-A834 PolarHBondContact O-N 3.46Å; A834-Y879 CarbonylContact C-O 3.56Å; A834-Y879 WeakPolarHBondContact CA-O 3.16Å; A834-E880 HydrophobicContact CB-CG 4.23Å
835	G	91.1	Very high	86.9	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	154.7	177.2	0	0	0	0	0	114.3	V825 R878 Y879	V825-G835 CarbonylContact O-C 3.58Å; V825-G835 WeakPolarHBondContact O-CA 3.08Å; G835-R878 WeakPolarHBondContact O-CA 3.01Å; G835-Y879 PolarHBondContact N-O 2.89Å; G835-Y879 PolarHBondContact O-N 2.92Å
836	V	91.9	Very high	86.3	Confident	1 Å²	1	17.9 Å²	17.9	1%	0.006	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	126	174	167.9	0	0	0	0	108.3	L47 A58 N824 V825 F876 S877 R878	L47-V836 HydrophobicContact CB-CB 4.42Å; L47-V836 HydrophobicContact CB-CG2 3.67Å; A58-V836 HydrophobicContact CB-CG2 4.34Å; N824-V836 WeakPolarHBondContact CA-O 3.39Å; V825-V836 PolarHBondContact N-O 3.42Å; V825-V836 PolarHBondContact O-N 2.7Å; V836-F876 HydrophobicContact CG1-CD2 4.15Å; V836-F876 HydrophobicContact CG1-CE2 3.51Å; V836-F876 HydrophobicContact CG1-CZ 4.28Å; V836-S877 WeakPolarHBondContact CA-O 3.4Å; V836-R878 HydrophobicContact CG2-CB 4.2Å
837	E	91.9	Very high	85.8	Confident	49 Å²	49	19 Å²	19	23%	0.229	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	114.6	173	-176.4	-150.5	173	0	0	108.2	G823 F876 S877	G823-E837 CarbonylContact O-C 3.56Å; G823-E837 WeakPolarHBondContact O-CA 2.76Å; E837-F876 WeakPolarHBondContact O-CA 3.2Å; E837-S877 PolarHBondContact N-O 3.02Å; E837-S877 PolarHBondContact O-N 2.78Å; E837-S877 WeakPolarHBondContact OE2-CB 3.39Å; E837-S877 PolarHBondContact OE2-OG 3.25Å
838	V	91.5	Very high	85.3	Confident	4 Å²	4	20 Å²	20	2%	0.024	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	137.7	159.5	-74.4	0	0	0	0	108.5	T249 F788 T822 G823 F876	T249-V838 HydrophobicContact CG2-CB 4.28Å; T249-V838 HydrophobicContact CG2-CG2 3.73Å; F788-V838 HydrophobicContact CE1-CG2 4.42Å; T822-V838 CarbonylContact C-O 3.59Å; T822-V838 WeakPolarHBondContact CA-O 3.5Å; G823-V838 PolarHBondContact N-O 2.81Å; G823-V838 WeakPolarHBondContact O-CG2 3.42Å; G823-V838 PolarHBondContact O-N 2.88Å; V838-F876 HydrophobicContact CG1-CD2 3.99Å
839	S	90.8	Very high	85.4	Confident	3 Å²	3	20.3 Å²	20.3	2%	0.021	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	151.7	163.3	49.6	0	0	0	0	113.1	R330 V821 E874 Y875	R330-S839 PolarHBondContact NH2-OG 2.8Å; V821-S839 CarbonylContact O-C 3.52Å; V821-S839 WeakPolarHBondContact O-CA 2.98Å; V821-S839 WeakPolarHBondContact O-CB 2.97Å; S839-E874 CarbonylContact O-C 3.22Å; S839-E874 WeakPolarHBondContact O-CA 3.48Å; S839-Y875 PolarHBondContact N-O 2.04Å; S839-Y875 PolarHBondContact O-N 3.25Å
840	F	89.8	Confident	85.6	Confident	10 Å²	10	21.2 Å²	21.2	4%	0.044	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.9	176.5	169.8	-84.3	0	0	0	108.2	H246 L691 V820 V821 T842 V872 E874	H246-F840 AromaticContact CE1-CD2 3.24Å; H246-F840 WeakPolarHBondContact CE1-CD2 3.36Å; H246-F840 AromaticContact CE1-CE2 3.75Å; H246-F840 AromaticContact CE1-CG 3.78Å; H246-F840 AromaticContact ND1-CD2 3.91Å; H246-F840 AromaticContact ND1-CG 4Å; H246-F840 AromaticContact NE2-CD2 3.72Å; H246-F840 AromaticContact NE2-CE2 3.73Å; L691-F840 HydrophobicContact CD1-CD1 3.71Å; L691-F840 HydrophobicContact CD1-CE1 3.31Å; L691-F840 HydrophobicContact CD1-CZ 3.8Å; V820-F840 WeakPolarHBondContact CA-O 3.14Å; V821-F840 PolarHBondContact N-O 2.93Å; V821-F840 PolarHBondContact O-N 3.38Å; F840-T842 HydrophobicContact CE1-CG2 3.57Å; F840-T842 HydrophobicContact CZ-CG2 3.89Å; F840-V872 HydrophobicContact CD2-CG1 4.17Å; F840-V872 HydrophobicContact CE2-CG1 3.42Å; F840-V872 VanDerWaalsContact CE2-CG1 3.42Å; F840-V872 HydrophobicContact CZ-CG1 3.93Å; F840-E874 HydrophobicContact CD2-CG 4.21Å
841	D	90	Very high	85.9	Confident	10 Å²	10	18.9 Å²	18.9	5%	0.053	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	140.8	177.2	-56.2	1.7	0	0	0	109.7	A326 R330 L819 V820 V872 S873 Y875	A326-D841 HydrophobicContact CB-CB 3.94Å; R330-D841 IonicContact CZ-OD1 3.21Å; R330-D841 IonicContact CZ-OD2 3.38Å; R330-D841 VanDerWaalsContact NH1-CG 3.3Å; R330-D841 IonicContact NH1-OD1 2.73Å; R330-D841 PolarHBondContact NH1-OD1 2.86Å; R330-D841 IonicContact NH1-OD2 3.78Å; R330-D841 PolarHBondContact NH1-OD2 2.98Å; R330-D841 IonicContact NH2-OD1 2.77Å; R330-D841 PolarHBondContact NH2-OD1 2.89Å; R330-D841 IonicContact NH2-OD2 2.66Å; R330-D841 PolarHBondContact NH2-OD2 3.02Å; L819-D841 WeakPolarHBondContact O-CA 3.45Å; V820-D841 HydrophobicContact CG2-CB 4.26Å; D841-V872 WeakPolarHBondContact O-CA 3.29Å; D841-S873 PolarHBondContact N-O 3.44Å; D841-S873 PolarHBondContact O-N 2.82Å; D841-Y875 VanDerWaalsContact OD2-CE2 3.31Å; D841-Y875 WeakPolarHBondContact OD2-CE2 2.8Å
842	T	85.1	Confident	85.6	Confident	5 Å²	5	18.7 Å²	18.7	3%	0.031	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	146	162.6	-171.1	0	0	0	0	112	F695 A818 L819 F840 F870 P871	F695-T842 HydrophobicContact CE1-CG2 4.49Å; F695-T842 HydrophobicContact CE2-CG2 3.46Å; F695-T842 VanDerWaalsContact CE2-CG2 3.46Å; F695-T842 HydrophobicContact CZ-CG2 3.31Å; F695-T842 WeakPolarHBondContact CZ-O 3.21Å; A818-T842 WeakPolarHBondContact CA-O 3.04Å; L819-T842 PolarHBondContact N-O 3.49Å; L819-T842 PolarHBondContact O-N 2.79Å; F840-T842 HydrophobicContact CE1-CG2 3.57Å; F840-T842 HydrophobicContact CZ-CG2 3.89Å; T842-F870 WeakPolarHBondContact OG1-CD2 3.31Å; T842-F870 WeakPolarHBondContact OG1-CE2 3.29Å; T842-P871 WeakPolarHBondContact CA-O 3.4Å; T842-P871 PolarHBondContact OG1-O 2.85Å
843	E	89	Confident	85.3	Confident	69 Å²	69	20.3 Å²	20.3	32%	0.322	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	95.3	-174.3	-61.9	175.9	159.4	0	0	108.9	K325 A326 G817 A818 F870 P871	K325-E843 VanDerWaalsContact CA-OE1 3.31Å; K325-E843 WeakPolarHBondContact CA-OE1 3.36Å; A326-E843 HydrophobicContact CB-CG 3.91Å; A326-E843 PolarHBondContact N-OE1 2.95Å; G817-E843 CarbonylContact O-C 2.81Å; G817-E843 WeakPolarHBondContact O-CA 3.43Å; A818-E843 HydrophobicContact CB-CG 4.38Å; E843-F870 WeakPolarHBondContact O-CB 3.35Å; E843-P871 HydrophobicContact CB-CG 4.17Å
844	A	81.7	Confident	84.7	Confident	7 Å²	7	17.4 Å²	17.4	6%	0.058	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	147.6	-172	0	0	0	0	0	112.6	L692 F695 R816 G817	L692-A844 HydrophobicContact CD2-CB 4.11Å; F695-A844 HydrophobicContact CB-CB 4.19Å; F695-A844 HydrophobicContact CD1-CB 3.67Å; F695-A844 HydrophobicContact CD2-CB 4.36Å; F695-A844 HydrophobicContact CE1-CB 3.99Å; F695-A844 HydrophobicContact CG-CB 3.83Å; F695-A844 HydrophobicContact CZ-CB 4.45Å; R816-A844 WeakPolarHBondContact CA-O 3.39Å; G817-A844 PolarHBondContact N-O 2.94Å; G817-A844 PolarHBondContact O-N 3.34Å
845	S	82.5	Confident	83.8	Confident	15 Å²	15	20.2 Å²	20.2	11%	0.105	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.3	159.4	-145.1	0	0	0	0	107.7	N815 R816 D847 A868	N815-S845 WeakPolarHBondContact O-CA 3.03Å; R816-S845 WeakPolarHBondContact CG-OG 3.33Å; S845-D847 PolarHBondContact OG-OD1 2.85Å; S845-A868 PolarHBondContact O-N 3.35Å
846	L	79.5	Confident	82.7	Confident	9 Å²	9	27.8 Å²	27.8	5%	0.047	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.5	159.4	-166.6	90	0	0	0	107.3	M624 V696 N815 M865 D866 K867 F903	M624-L846 HydrophobicContact CE-CD2 4.41Å; V696-L846 HydrophobicContact CB-CD2 4.21Å; V696-L846 HydrophobicContact CG1-CD2 3.3Å; V696-L846 HydrophobicContact CG2-CB 4.09Å; V696-L846 HydrophobicContact CG2-CD2 3.79Å; V696-L846 HydrophobicContact CG2-CG 4.41Å; N815-L846 WeakPolarHBondContact CB-O 3.41Å; N815-L846 PolarHBondContact N-O 3.27Å; N815-L846 PolarHBondContact O-N 2.79Å; L846-M865 HydrophobicContact CD1-CG 4.17Å; L846-M865 HydrophobicContact CD2-CG 3.7Å; L846-M865 HydrophobicContact CD2-SD 4.01Å; L846-M865 HydrophobicContact CG-CG 4.15Å; L846-D866 CarbonylContact C-O 3.57Å; L846-D866 WeakPolarHBondContact CA-O 3.31Å; L846-D866 VanDerWaalsContact CD1-O 3.3Å; L846-D866 WeakPolarHBondContact CD1-O 3.43Å; L846-D866 WeakPolarHBondContact CG-O 3.44Å; L846-K867 HydrophobicContact CD1-CB 3.59Å; L846-K867 HydrophobicContact CD1-CG 4Å; L846-F903 HydrophobicContact CD1-CD2 3.92Å; L846-F903 HydrophobicContact CD1-CE2 3.74Å
847	D	81.3	Confident	81.2	Confident	30 Å²	30	33.8 Å²	33.8	16%	0.16	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	115.5	-174.3	-61.6	-1.5	0	0	0	107.1	V813 S845 D866	V813-D847 WeakPolarHBondContact O-CA 3.46Å; S845-D847 PolarHBondContact OG-OD1 2.85Å; D847-D866 PolarHBondContact N-O 3.08Å; D847-D866 PolarHBondContact O-N 3.39Å
848	F	80.3	Confident	79.8	Confident	19 Å²	19	35 Å²	35	8%	0.083	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	115.4	178.5	-172.5	-94.5	0	0	0	109	L636 V813 T850 M863 Q864 M865	L636-F848 HydrophobicContact CD2-CE2 4.14Å; L636-F848 HydrophobicContact CD2-CZ 4.17Å; V813-F848 HydrophobicContact CB-CB 4.44Å; V813-F848 PolarHBondContact N-O 3.08Å; V813-F848 PolarHBondContact O-N 2.84Å; F848-T850 VanDerWaalsContact CE1-OG1 3.25Å; F848-T850 WeakPolarHBondContact CE1-OG1 3.47Å; F848-M863 HydrophobicContact CZ-CB 4.14Å; F848-M863 HydrophobicContact CZ-CG 4.18Å; F848-M863 HydrophobicContact CZ-SD 4.32Å; F848-Q864 WeakPolarHBondContact CA-O 3.5Å; F848-M865 HydrophobicContact CD2-CB 4.15Å; F848-M865 HydrophobicContact CD2-CE 4.45Å; F848-M865 HydrophobicContact CD2-CG 4.34Å; F848-M865 HydrophobicContact CE2-CE 4.44Å
849	I	82.8	Confident	78.8	Confident	41 Å²	41	36 Å²	36	21%	0.21	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135	-175.1	-54.2	175.1	0	0	0	108.3	T811 M863 Q864	T811-I849 WeakPolarHBondContact O-CA 3.17Å; I849-M863 CarbonylContact O-C 3.58Å; I849-M863 WeakPolarHBondContact O-CA 3.41Å; I849-Q864 HydrophobicContact CB-CB 4.38Å; I849-Q864 PolarHBondContact N-O 2.96Å; I849-Q864 PolarHBondContact O-N 3.19Å
850	T	80.3	Confident	78	Confident	20 Å²	20	37.7 Å²	37.7	12%	0.123	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	110	174.7	-56.7	0	0	0	0	108.8	K810 T811 F848 V852 V861 C862 M863	K810-T850 WeakPolarHBondContact CA-O 3.45Å; T811-T850 PolarHBondContact N-O 2.79Å; T811-T850 PolarHBondContact O-N 2.89Å; F848-T850 VanDerWaalsContact CE1-OG1 3.25Å; F848-T850 WeakPolarHBondContact CE1-OG1 3.47Å; T850-V852 HydrophobicContact CG2-CG2 3.97Å; T850-V861 HydrophobicContact CG2-CG1 3.63Å; T850-C862 WeakPolarHBondContact CA-O 3.45Å; T850-M863 HydrophobicContact CG2-CG 4Å
851	T	82.3	Confident	77.3	Confident	11 Å²	11	37.2 Å²	37.2	7%	0.067	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	124	177.8	-56.1	0	0	0	0	108.7	E808 V861 C862 V916	E808-T851 WeakPolarHBondContact OE1-CG2 3.25Å; T851-V861 CarbonylContact O-C 3.55Å; T851-V861 VanDerWaalsContact O-CA 3.26Å; T851-V861 WeakPolarHBondContact O-CA 3.44Å; T851-C862 PolarHBondContact N-O 3.2Å; T851-C862 PolarHBondContact O-N 3.17Å; T851-V916 HydrophobicContact CG2-CG1 4.11Å
852	V	75.9	Confident	77	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	110.5	-169.2	179.1	0	0	0	0	109.8	F672 L673 E808 S809 T850 F854 V861	F672-V852 HydrophobicContact CD1-CG1 4.42Å; L673-V852 HydrophobicContact CB-CG1 4.06Å; L673-V852 HydrophobicContact CD1-CG1 3.62Å; L673-V852 HydrophobicContact CG-CG1 3.97Å; E808-V852 CarbonylContact C-O 3.55Å; E808-V852 VanDerWaalsContact CA-O 3.25Å; E808-V852 WeakPolarHBondContact CA-O 3.15Å; S809-V852 PolarHBondContact N-O 3.48Å; S809-V852 WeakPolarHBondContact O-CA 3.46Å; S809-V852 WeakPolarHBondContact O-CB 2.9Å; S809-V852 PolarHBondContact O-N 3.48Å; T850-V852 HydrophobicContact CG2-CG2 3.97Å; V852-F854 HydrophobicContact CG1-CD1 4.18Å; V852-V861 HydrophobicContact CB-CG2 4.03Å; V852-V861 HydrophobicContact CG1-CG2 3.76Å; V852-V861 HydrophobicContact CG2-CB 4.46Å; V852-V861 HydrophobicContact CG2-CG1 3.82Å; V852-V861 HydrophobicContact CG2-CG2 3.88Å
853	Q	77.8	Confident	77	Confident	35 Å²	35	36.9 Å²	36.9	16%	0.164	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	111.2	169.3	-68.3	174.3	-13.6	0	0	109.2	E808 L860 S919	E808-Q853 HydrophobicContact CG-CG 4.26Å; Q853-L860 HydrophobicContact CB-CB 4.28Å; Q853-L860 PolarHBondContact N-O 3.17Å; Q853-L860 PolarHBondContact O-N 3.47Å; Q853-L860 VanDerWaalsContact O-N 3.1Å; Q853-S919 PolarHBondContact NE2-OG 3.29Å
854	F	72.7	Confident	76.8	Confident	26 Å²	26	35.2 Å²	35.2	11%	0.114	18%	0.18	C	C	.	.			trans	-106.4	37.3	-175.8	59.2	-90.3	0	0	0	113.2	L673 L804 R807 V852 F859	L673-F854 HydrophobicContact CD1-CB 3.57Å; L673-F854 HydrophobicContact CD1-CG 4.37Å; L804-F854 HydrophobicContact CD2-CE2 4.38Å; L804-F854 HydrophobicContact CD2-CZ 4.18Å; R807-F854 VanDerWaalsContact C-CD1 3.48Å; R807-F854 HydrophobicContact CB-CD2 3.76Å; R807-F854 HydrophobicContact CB-CE2 3.85Å; R807-F854 HydrophobicContact CB-CG 4.17Å; R807-F854 HydrophobicContact CB-CZ 4.34Å; R807-F854 HydrophobicContact CG-CD2 4.25Å; R807-F854 HydrophobicContact CG-CE2 4.15Å; R807-F854 WeakPolarHBondContact O-CD1 3.33Å; R807-F854 WeakPolarHBondContact O-CG 2.87Å; R807-F854 PolarHBondContact O-N 2.7Å; V852-F854 HydrophobicContact CG1-CD1 4.18Å; F854-F859 VanDerWaalsContact CA-CD1 3.47Å; F854-F859 HydrophobicContact CB-CD1 3.76Å; F854-F859 HydrophobicContact CB-CE1 4Å; F854-F859 HydrophobicContact CB-CG 4.25Å
855	S	72.4	Confident	77	Confident	59 Å²	59	34.9 Å²	34.9	41%	0.413	18%	0.178	S	C	.	.	S	Bend	trans	-72	-48	-178	48.8	0	0	0	0	113.5	R807	R807-S855 PolarHBondContact NH1-O 2.83Å
856	E	67.6	Low	77	Confident	158 Å²	158	37 Å²	37	74%	0.738	19%	0.188	S	C	*	.	S	Bend	trans	-135.7	157.3	179	-63.1	-173.4	161.5	0	0	110.2	P858 F859	E856-P858 CarbonylContact O-C 3.5Å; E856-F859 WeakPolarHBondContact O-CD1 3.26Å
857	Y	60.3	Low	77.2	Confident	127 Å²	127	37.2 Å²	37.2	50%	0.498	19%	0.188	S	C	.	.	S	Bend	trans	-98.7	134	178.4	-174.7	-87	0	0	0	111.1	F859	Y857-F859 AromaticContact CD2-CD2 3.96Å; Y857-F859 HydrophobicContact CD2-CD2 3.96Å; Y857-F859 HydrophobicContact CD2-CE1 4.44Å; Y857-F859 AromaticContact CD2-CE2 3.63Å; Y857-F859 HydrophobicContact CD2-CE2 3.63Å; Y857-F859 AromaticContact CD2-CZ 3.91Å; Y857-F859 HydrophobicContact CD2-CZ 3.91Å; Y857-F859 HydrophobicContact CE2-CD2 4.41Å; Y857-F859 HydrophobicContact CE2-CE2 4.16Å
858	P	63.3	Low	77.5	Confident	75 Å²	75	37.3 Å²	37.3	49%	0.487	19%	0.194	S	C	.	.	S	Bend	cis	-75.6	145	0.7	31.9	-36	0	0	0	113.1	E856	E856-P858 CarbonylContact O-C 3.5Å
859	F	70.2	Confident	77.8	Confident	25 Å²	25	40.3 Å²	40.3	11%	0.11	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-75.7	136.9	-170.8	-52	-62	0	0	0	112.8	L673 N674 F675 F854 E856 Y857 V861	L673-F859 HydrophobicContact CB-CB 3.94Å; L673-F859 HydrophobicContact CB-CD2 3.87Å; L673-F859 HydrophobicContact CB-CG 4.26Å; L673-F859 HydrophobicContact CD1-CB 3.99Å; L673-F859 HydrophobicContact CD1-CD1 4.36Å; L673-F859 HydrophobicContact CD1-CD2 3.53Å; L673-F859 HydrophobicContact CD1-CE2 3.95Å; L673-F859 HydrophobicContact CD1-CG 3.71Å; L673-F859 HydrophobicContact CD2-CD2 4Å; L673-F859 HydrophobicContact CD2-CE2 4.13Å; L673-F859 HydrophobicContact CG-CD2 3.97Å; L673-F859 HydrophobicContact CG-CE2 4.49Å; L673-F859 HydrophobicContact CG-CG 4.48Å; N674-F859 CarbonylContact C-O 3.58Å; F675-F859 PolarHBondContact N-O 3.38Å; F854-F859 VanDerWaalsContact CA-CD1 3.47Å; F854-F859 HydrophobicContact CB-CD1 3.76Å; F854-F859 HydrophobicContact CB-CE1 4Å; F854-F859 HydrophobicContact CB-CG 4.25Å; E856-F859 WeakPolarHBondContact O-CD1 3.26Å; Y857-F859 AromaticContact CD2-CD2 3.96Å; Y857-F859 HydrophobicContact CD2-CD2 3.96Å; Y857-F859 HydrophobicContact CD2-CE1 4.44Å; Y857-F859 AromaticContact CD2-CE2 3.63Å; Y857-F859 HydrophobicContact CD2-CE2 3.63Å; Y857-F859 AromaticContact CD2-CZ 3.91Å; Y857-F859 HydrophobicContact CD2-CZ 3.91Å; Y857-F859 HydrophobicContact CE2-CD2 4.41Å; Y857-F859 HydrophobicContact CE2-CE2 4.16Å; F859-V861 PolarHBondContact O-N 2.79Å
860	L	72.8	Confident	77.8	Confident	38 Å²	38	38.7 Å²	38.7	20%	0.199	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	115.2	178.2	-69	176.4	0	0	0	110.4	Q853 M912 R915 V916	Q853-L860 HydrophobicContact CB-CB 4.28Å; Q853-L860 PolarHBondContact N-O 3.17Å; Q853-L860 PolarHBondContact O-N 3.47Å; Q853-L860 VanDerWaalsContact O-N 3.1Å; L860-M912 HydrophobicContact CD2-CB 4.44Å; L860-M912 HydrophobicContact CD2-CG 4.08Å; L860-R915 HydrophobicContact CD1-CB 4.29Å; L860-R915 HydrophobicContact CD2-CB 4.34Å; L860-V916 HydrophobicContact CB-CG2 4.12Å
861	V	75.8	Confident	78	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	125.8	174.8	-177.2	0	0	0	0	111	L673 T850 T851 V852 F859 M863 M912	L673-V861 HydrophobicContact CB-CG2 3.84Å; L673-V861 WeakPolarHBondContact O-CB 3.48Å; L673-V861 WeakPolarHBondContact O-CG2 3.37Å; T850-V861 HydrophobicContact CG2-CG1 3.63Å; T851-V861 CarbonylContact O-C 3.55Å; T851-V861 VanDerWaalsContact O-CA 3.26Å; T851-V861 WeakPolarHBondContact O-CA 3.44Å; V852-V861 HydrophobicContact CB-CG2 4.03Å; V852-V861 HydrophobicContact CG1-CG2 3.76Å; V852-V861 HydrophobicContact CG2-CB 4.46Å; V852-V861 HydrophobicContact CG2-CG1 3.82Å; V852-V861 HydrophobicContact CG2-CG2 3.88Å; F859-V861 PolarHBondContact O-N 2.79Å; V861-M863 HydrophobicContact CG1-CG 4.5Å; V861-M912 WeakPolarHBondContact O-CB 3.31Å; V861-M912 WeakPolarHBondContact O-CE 3.13Å
862	C	84	Confident	78.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	120.2	171	174.1	0	0	0	0	109.3	T850 T851 C913 V916	T850-C862 WeakPolarHBondContact CA-O 3.45Å; T851-C862 PolarHBondContact N-O 3.2Å; T851-C862 PolarHBondContact O-N 3.17Å; C862-C913 VanDerWaalsContact CA-SG 3.56Å; C862-C913 HydrophobicContact CB-CB 3.96Å; C862-C913 WeakPolarHBondContact CB-SG 3.39Å; C862-C913 WeakPolarHBondContact SG-CA 3.44Å; C862-C913 WeakPolarHBondContact SG-CB 3.25Å; C862-C913 CovalentContact SG-SG 2.04Å; C862-C913 PolarHBondContact SG-SG 3.43Å; C862-V916 HydrophobicContact CB-CB 4.47Å; C862-V916 HydrophobicContact CB-CG2 4.37Å
863	M	85.1	Confident	78.7	Confident	9 Å²	9	40.3 Å²	40.3	4%	0.044	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	128.4	166.9	-66.3	167.2	-70.2	0	0	109.6	I638 N674 F848 I849 T850 V861 L905 N909	I638-M863 HydrophobicContact CD1-CE 3.82Å; I638-M863 HydrophobicContact CD1-SD 3.59Å; I638-M863 VanDerWaalsContact CD1-SD 3.59Å; N674-M863 WeakPolarHBondContact ND2-CE 3.49Å; F848-M863 HydrophobicContact CZ-CB 4.14Å; F848-M863 HydrophobicContact CZ-CG 4.18Å; F848-M863 HydrophobicContact CZ-SD 4.32Å; I849-M863 CarbonylContact O-C 3.58Å; I849-M863 WeakPolarHBondContact O-CA 3.41Å; T850-M863 HydrophobicContact CG2-CG 4Å; V861-M863 HydrophobicContact CG1-CG 4.5Å; M863-L905 HydrophobicContact CB-CD1 3.44Å; M863-L905 VanDerWaalsContact CB-CD1 3.44Å; M863-L905 HydrophobicContact CE-CD1 4.48Å; M863-N909 HydrophobicContact CE-CB 4.43Å; M863-N909 WeakPolarHBondContact CE-OD1 3.46Å; M863-N909 PolarHBondContact N-OD1 3.1Å; M863-N909 PolarHBondContact O-ND2 2.82Å
864	Q	85.3	Confident	79.3	Confident	33 Å²	33	40.5 Å²	40.5	15%	0.154	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139.5	173.1	-65.3	168.9	-83.4	0	0	109.4	F848 I849 E902	F848-Q864 WeakPolarHBondContact CA-O 3.5Å; I849-Q864 HydrophobicContact CB-CB 4.38Å; I849-Q864 PolarHBondContact N-O 2.96Å; I849-Q864 PolarHBondContact O-N 3.19Å; Q864-E902 PolarHBondContact NE2-OE1 3.29Å
865	M	84	Confident	80	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	80.6	171.2	-172.8	-171.6	-54.8	0	0	107.4	Y634 M651 L846 F848 E902 F903 L905	Y634-M865 HydrophobicContact CD2-CE 3.9Å; Y634-M865 HydrophobicContact CD2-SD 4.33Å; Y634-M865 HydrophobicContact CE2-CE 4.28Å; M651-M865 HydrophobicContact CE-CE 3.4Å; M651-M865 VanDerWaalsContact CE-CE 3.4Å; M651-M865 HydrophobicContact CE-SD 3.92Å; L846-M865 HydrophobicContact CD1-CG 4.17Å; L846-M865 HydrophobicContact CD2-CG 3.7Å; L846-M865 HydrophobicContact CD2-SD 4.01Å; L846-M865 HydrophobicContact CG-CG 4.15Å; F848-M865 HydrophobicContact CD2-CB 4.15Å; F848-M865 HydrophobicContact CD2-CE 4.45Å; F848-M865 HydrophobicContact CD2-CG 4.34Å; F848-M865 HydrophobicContact CE2-CE 4.44Å; M865-E902 WeakPolarHBondContact O-CA 3.44Å; M865-F903 HydrophobicContact CB-CB 4.27Å; M865-F903 HydrophobicContact CG-CB 4.32Å; M865-F903 HydrophobicContact CG-CD2 4.17Å; M865-F903 PolarHBondContact O-N 3.43Å; M865-F903 HydrophobicContact SD-CB 3.91Å; M865-F903 HydrophobicContact SD-CD2 3.92Å; M865-F903 HydrophobicContact SD-CG 4.26Å; M865-L905 HydrophobicContact CE-CD2 3.94Å
866	D	84.3	Confident	80.9	Confident	59 Å²	59	39.4 Å²	39.4	32%	0.316	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	139.3	-178.5	-174.6	34.1	0	0	0	111.1	L846 D847 E902	L846-D866 CarbonylContact C-O 3.57Å; L846-D866 WeakPolarHBondContact CA-O 3.31Å; L846-D866 VanDerWaalsContact CD1-O 3.3Å; L846-D866 WeakPolarHBondContact CD1-O 3.43Å; L846-D866 WeakPolarHBondContact CG-O 3.44Å; D847-D866 PolarHBondContact N-O 3.08Å; D847-D866 PolarHBondContact O-N 3.39Å; D866-E902 HydrophobicContact CB-CG 4.43Å
867	K	83.7	Confident	81.9	Confident	14 Å²	14	32 Å²	32	6%	0.061	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	106.5	176.4	-174	-144.7	76.4	-154.5	0	107	L692 L846 F870 P899 G900 S901 F903	L692-K867 HydrophobicContact CD1-CD 3.89Å; L692-K867 HydrophobicContact CD2-CD 4.5Å; L692-K867 HydrophobicContact CD2-CG 4.37Å; L846-K867 HydrophobicContact CD1-CB 3.59Å; L846-K867 HydrophobicContact CD1-CG 4Å; K867-F870 HydrophobicContact CD-CE1 3.98Å; K867-F870 HydrophobicContact CG-CE1 4.44Å; K867-P899 WeakPolarHBondContact CE-O 3.48Å; K867-P899 PolarHBondContact NZ-O 3.43Å; K867-G900 CarbonylContact O-C 3.33Å; K867-G900 WeakPolarHBondContact O-CA 3.2Å; K867-S901 VanDerWaalsContact CB-O 3.24Å; K867-S901 WeakPolarHBondContact CB-O 3.33Å; K867-S901 PolarHBondContact N-O 2.99Å; K867-S901 PolarHBondContact NZ-OG 2.96Å; K867-S901 PolarHBondContact O-N 2.99Å; K867-F903 HydrophobicContact CB-CD2 4.33Å; K867-F903 HydrophobicContact CB-CE2 3.77Å; K867-F903 HydrophobicContact CB-CZ 4.49Å; K867-F903 HydrophobicContact CD-CE2 4.02Å; K867-F903 HydrophobicContact CD-CZ 3.96Å; K867-F903 HydrophobicContact CG-CE2 4.04Å; K867-F903 HydrophobicContact CG-CZ 4.48Å
868	A	86.6	Confident	83.2	Confident	33 Å²	33	27.6 Å²	27.6	27%	0.273	15%	0.152	S	C	.	.			trans	-56.9	158.1	-178.9	0	0	0	0	0	112.4	S845 F870	S845-A868 PolarHBondContact O-N 3.35Å; A868-F870 WeakPolarHBondContact O-CD1 3.35Å; A868-F870 PolarHBondContact O-N 2.87Å
869	T	86.8	Confident	84.3	Confident	82 Å²	82	26.1 Å²	26.1	50%	0.503	14%	0.137	S	C	.	.			trans	-70.1	121.1	171.7	-64.6	0	0	0	0	109.5	L897 V898 G900	T869-L897 HydrophobicContact CG2-CD1 4.02Å; T869-L897 HydrophobicContact CG2-CD2 3.5Å; T869-L897 VanDerWaalsContact CG2-CD2 3.5Å; T869-L897 HydrophobicContact CG2-CG 3.54Å; T869-V898 WeakPolarHBondContact CA-O 3.43Å; T869-G900 PolarHBondContact OG1-N 3.21Å
870	F	82	Confident	85.1	Confident	6 Å²	6	25.4 Å²	25.4	3%	0.026	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	147.5	-169.9	64.3	-98.1	0	0	0	115	L692 T842 E843 K867 A868 V872 V898	L692-F870 HydrophobicContact CD1-CE1 3.97Å; L692-F870 HydrophobicContact CD1-CZ 3.95Å; L692-F870 HydrophobicContact CD2-CE1 4.04Å; L692-F870 HydrophobicContact CD2-CZ 4.25Å; L692-F870 HydrophobicContact CG-CE1 4.31Å; L692-F870 HydrophobicContact CG-CZ 4.13Å; T842-F870 WeakPolarHBondContact OG1-CD2 3.31Å; T842-F870 WeakPolarHBondContact OG1-CE2 3.29Å; E843-F870 WeakPolarHBondContact O-CB 3.35Å; K867-F870 HydrophobicContact CD-CE1 3.98Å; K867-F870 HydrophobicContact CG-CE1 4.44Å; A868-F870 WeakPolarHBondContact O-CD1 3.35Å; A868-F870 PolarHBondContact O-N 2.87Å; F870-V872 HydrophobicContact CD2-CG2 3.87Å; F870-V872 HydrophobicContact CE2-CG2 3.58Å; F870-V898 HydrophobicContact CD1-CB 4.21Å; F870-V898 HydrophobicContact CD1-CG1 4.37Å; F870-V898 HydrophobicContact CD2-CB 3.97Å; F870-V898 HydrophobicContact CD2-CG2 4.22Å; F870-V898 HydrophobicContact CE1-CB 3.9Å; F870-V898 HydrophobicContact CE1-CG1 3.68Å; F870-V898 HydrophobicContact CE2-CB 3.66Å; F870-V898 HydrophobicContact CE2-CG1 4.13Å; F870-V898 HydrophobicContact CE2-CG2 3.67Å; F870-V898 HydrophobicContact CG-CB 4.25Å; F870-V898 HydrophobicContact CZ-CB 3.63Å; F870-V898 HydrophobicContact CZ-CG1 3.55Å; F870-V898 HydrophobicContact CZ-CG2 3.95Å; F870-V898 PolarHBondContact N-O 3.4Å; F870-V898 PolarHBondContact O-N 3.18Å
871	P	86.3	Confident	85.7	Confident	47 Å²	47	25.1 Å²	25.1	31%	0.305	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	132.8	175.3	33.3	-33.3	0	0	0	111.9	T842 E843 L897	T842-P871 WeakPolarHBondContact CA-O 3.4Å; T842-P871 PolarHBondContact OG1-O 2.85Å; E843-P871 HydrophobicContact CB-CG 4.17Å; P871-L897 HydrophobicContact CB-CD1 4.43Å
872	V	84.7	Confident	86.1	Confident	9 Å²	9	25.8 Å²	25.8	6%	0.055	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.9	166.7	175.5	0	0	0	0	108.6	F840 D841 F870 K895 Q896 V898	F840-V872 HydrophobicContact CD2-CG1 4.17Å; F840-V872 HydrophobicContact CE2-CG1 3.42Å; F840-V872 VanDerWaalsContact CE2-CG1 3.42Å; F840-V872 HydrophobicContact CZ-CG1 3.93Å; D841-V872 WeakPolarHBondContact O-CA 3.29Å; F870-V872 HydrophobicContact CD2-CG2 3.87Å; F870-V872 HydrophobicContact CE2-CG2 3.58Å; V872-K895 WeakPolarHBondContact O-CA 3.49Å; V872-Q896 PolarHBondContact N-O 3.35Å; V872-Q896 PolarHBondContact O-N 2.92Å; V872-Q896 VanDerWaalsContact O-O 3.08Å; V872-V898 HydrophobicContact CG2-CG2 3.62Å
873	S	88	Confident	85.7	Confident	11 Å²	11	30 Å²	30	8%	0.077	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	113.1	175.7	-59.3	0	0	0	0	111.5	D841 Y875 K894	D841-S873 PolarHBondContact N-O 3.44Å; D841-S873 PolarHBondContact O-N 2.82Å; S873-Y875 VanDerWaalsContact CB-CE2 3.49Å; S873-K894 WeakPolarHBondContact CA-O 3.28Å
874	E	89.1	Confident	85	Confident	40 Å²	40	33.7 Å²	33.7	19%	0.187	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	134.1	164.5	-64.1	-175.9	116.9	0	0	109.6	K49 S248 S839 F840 A893 K894	K49-E874 IonicContact NZ-OE1 3.64Å; S248-E874 PolarHBondContact OG-OE1 3.28Å; S839-E874 CarbonylContact O-C 3.22Å; S839-E874 WeakPolarHBondContact O-CA 3.48Å; F840-E874 HydrophobicContact CD2-CG 4.21Å; E874-A893 CarbonylContact O-C 3.58Å; E874-A893 WeakPolarHBondContact O-CA 3.07Å; E874-K894 HydrophobicContact CB-CB 4.38Å; E874-K894 PolarHBondContact N-O 3.33Å; E874-K894 PolarHBondContact O-N 2.77Å; E874-K894 WeakPolarHBondContact OE2-CD 3.48Å
875	Y	88.9	Confident	84.3	Confident	34 Å²	34	35 Å²	35	13%	0.133	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.3	170.1	-57.7	-87	0	0	0	110.8	S839 D841 S873 K892 A893 K895	S839-Y875 PolarHBondContact N-O 2.04Å; S839-Y875 PolarHBondContact O-N 3.25Å; D841-Y875 VanDerWaalsContact OD2-CE2 3.31Å; D841-Y875 WeakPolarHBondContact OD2-CE2 2.8Å; S873-Y875 VanDerWaalsContact CB-CE2 3.49Å; Y875-K892 WeakPolarHBondContact CA-O 3.5Å; Y875-A893 HydrophobicContact CD1-CB 3.58Å; Y875-A893 HydrophobicContact CE1-CB 3.6Å; Y875-K895 WeakPolarHBondContact OH-CE 3.26Å
876	F	90	Very high	84.1	Confident	28 Å²	28	39.2 Å²	39.2	12%	0.123	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	109	169.9	175.5	-104.3	0	0	0	107.7	K49 V836 E837 V838 R878 R891 K892	K49-F876 HydrophobicContact CB-CD2 4.27Å; K49-F876 HydrophobicContact CB-CE2 3.87Å; V836-F876 HydrophobicContact CG1-CD2 4.15Å; V836-F876 HydrophobicContact CG1-CE2 3.51Å; V836-F876 HydrophobicContact CG1-CZ 4.28Å; E837-F876 WeakPolarHBondContact O-CA 3.2Å; V838-F876 HydrophobicContact CG1-CD2 3.99Å; F876-R878 HydrophobicContact CE1-CB 4.33Å; F876-R878 HydrophobicContact CE1-CG 4.35Å; F876-R878 HydrophobicContact CZ-CB 4.45Å; F876-R891 CarbonylContact O-C 3.59Å; F876-R891 WeakPolarHBondContact O-CA 3.46Å; F876-K892 PolarHBondContact N-O 3.2Å; F876-K892 PolarHBondContact O-N 3.08Å
877	S	88.8	Confident	83.9	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.014	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	130.5	171.4	-38.9	0	0	0	0	108.4	V836 E837	V836-S877 WeakPolarHBondContact CA-O 3.4Å; E837-S877 PolarHBondContact N-O 3.02Å; E837-S877 PolarHBondContact O-N 2.78Å; E837-S877 WeakPolarHBondContact OE2-CB 3.39Å; E837-S877 PolarHBondContact OE2-OG 3.25Å
878	R	87.6	Confident	83.9	Confident	35 Å²	35	41.6 Å²	41.6	13%	0.132	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.6	166.9	62.3	-179.3	168.4	159.3	-2.1	108.6	E55 G56 A58 G835 V836 F876 M889 S890	E55-R878 PolarHBondContact O-NH1 2.69Å; E55-R878 PolarHBondContact O-NH2 2.84Å; E55-R878 IonicContact OE2-NH2 2.81Å; G56-R878 PolarHBondContact O-NH1 2.79Å; A58-R878 HydrophobicContact CB-CB 4.15Å; G835-R878 WeakPolarHBondContact O-CA 3.01Å; V836-R878 HydrophobicContact CG2-CB 4.2Å; F876-R878 HydrophobicContact CE1-CB 4.33Å; F876-R878 HydrophobicContact CE1-CG 4.35Å; F876-R878 HydrophobicContact CZ-CB 4.45Å; R878-M889 WeakPolarHBondContact O-CA 3.38Å; R878-S890 PolarHBondContact N-O 3.16Å; R878-S890 PolarHBondContact NE-OG 3.23Å; R878-S890 VanDerWaalsContact NE-OG 3.11Å; R878-S890 PolarHBondContact NH2-OG 2.83Å; R878-S890 PolarHBondContact O-N 3.39Å
879	Y	86.9	Confident	83.7	Confident	44 Å²	44	46.2 Å²	46.2	17%	0.173	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	145.7	-175.4	65.4	-89.4	0	0	0	112.8	N824 T826 R833 A834 G835 I888	N824-Y879 PolarHBondContact OD1-OH 2.69Å; T826-Y879 WeakPolarHBondContact CG2-OH 3.36Å; R833-Y879 PolarHBondContact NH2-OH 2.76Å; A834-Y879 CarbonylContact C-O 3.56Å; A834-Y879 WeakPolarHBondContact CA-O 3.16Å; G835-Y879 PolarHBondContact N-O 2.89Å; G835-Y879 PolarHBondContact O-N 2.92Å; Y879-I888 VanDerWaalsContact CA-O 3.32Å; Y879-I888 WeakPolarHBondContact CA-O 3.39Å
880	E	87.1	Confident	83.6	Confident	10 Å²	10	44.2 Å²	44.2	5%	0.047	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	133.5	174.7	-73.3	164.4	-162.5	0	0	108.6	A58 G59 R98 I104 R833 A834 S887 I888	A58-E880 VanDerWaalsContact CA-OE1 3.3Å; A58-E880 WeakPolarHBondContact CA-OE1 3.4Å; A58-E880 HydrophobicContact CB-CG 4.41Å; G59-E880 PolarHBondContact N-OE1 2.88Å; R98-E880 IonicContact CZ-OE1 3.29Å; R98-E880 IonicContact CZ-OE2 2.98Å; R98-E880 IonicContact NH1-OE1 2.7Å; R98-E880 PolarHBondContact NH1-OE1 2.91Å; R98-E880 VanDerWaalsContact NH1-OE1 3.17Å; R98-E880 IonicContact NH1-OE2 3.31Å; R98-E880 PolarHBondContact NH1-OE2 3.01Å; R98-E880 IonicContact NH2-OE1 2.79Å; R98-E880 PolarHBondContact NH2-OE1 3.45Å; R98-E880 IonicContact NH2-OE2 2.81Å; I104-E880 HydrophobicContact CD1-CB 3.8Å; I104-E880 HydrophobicContact CG1-CB 4.12Å; R833-E880 CarbonylContact O-C 3.48Å; R833-E880 WeakPolarHBondContact O-CA 2.83Å; A834-E880 HydrophobicContact CB-CG 4.23Å; E880-S887 CarbonylContact O-C 3.53Å; E880-S887 VanDerWaalsContact O-CA 3.32Å; E880-S887 WeakPolarHBondContact O-CA 3.21Å; E880-I888 PolarHBondContact N-O 3.04Å; E880-I888 PolarHBondContact O-N 2.89Å
881	S	85.7	Confident	83.8	Confident	32 Å²	32	50.3 Å²	50.3	22%	0.224	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	141	-178.2	57.7	0	0	0	0	112.7	L832 R833	L832-S881 WeakPolarHBondContact CA-O 3.18Å; R833-S881 PolarHBondContact N-O 2.93Å; R833-S881 PolarHBondContact O-N 3.3Å
882	L	83.6	Confident	83.8	Confident	14 Å²	14	53.5 Å²	53.5	7%	0.073	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	151.3	171.9	-68.6	168	0	0	0	110.1	I104 L105 I113 F831 L832 S884 G885 K886	I104-L882 HydrophobicContact CB-CD1 4.29Å; I104-L882 HydrophobicContact CD1-CD2 4.44Å; I104-L882 HydrophobicContact CD1-CG 4.14Å; L105-L882 HydrophobicContact CD2-CD2 4.21Å; I113-L882 HydrophobicContact CB-CD2 4.5Å; I113-L882 HydrophobicContact CG1-CD2 4.21Å; I113-L882 HydrophobicContact CG2-CD2 3.85Å; F831-L882 WeakPolarHBondContact O-CA 3.09Å; L832-L882 HydrophobicContact CB-CD2 4.35Å; L832-L882 HydrophobicContact CD1-CD2 3.88Å; L882-S884 WeakPolarHBondContact CB-OG 3.03Å; L882-S884 PolarHBondContact O-N 3.22Å; L882-G885 PolarHBondContact O-N 3.25Å; L882-K886 HydrophobicContact CD1-CB 4.4Å; L882-K886 HydrophobicContact CD1-CD 4.46Å; L882-K886 PolarHBondContact N-O 2.94Å
883	S	75.1	Confident	83.9	Confident	87 Å²	87	55.6 Å²	55.6	61%	0.608	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-7.2	174.5	58	0	0	0	0	114.2	F831 G885	F831-S883 WeakPolarHBondContact CA-OG 3.05Å; F831-S883 PolarHBondContact O-N 3.45Å; F831-S883 PolarHBondContact O-OG 2.93Å; S883-G885 VanDerWaalsContact C-N 3.3Å
884	S	70.8	Confident	83.9	Confident	88 Å²	88	59.1 Å²	59.1	62%	0.615	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-1.9	170.2	57	0	0	0	0	114	L882	L882-S884 WeakPolarHBondContact CB-OG 3.03Å; L882-S884 PolarHBondContact O-N 3.22Å
885	G	70.8	Confident	83.9	Confident	60 Å²	60	64.3 Å²	64.3	62%	0.619	35%	0.348	S	S	*	.	S	Bend	trans	89.7	-13.3	-179.6	0	0	0	0	0	114.9	L882 S883 S887	L882-G885 PolarHBondContact O-N 3.25Å; S883-G885 VanDerWaalsContact C-N 3.3Å; G885-S887 PolarHBondContact O-N 2.83Å; G885-S887 VanDerWaalsContact O-N 3.14Å
886	K	78.5	Confident	83.7	Confident	88 Å²	88	65.6 Å²	65.6	38%	0.383	36%	0.355	S	S	.	.			trans	-64.9	113.6	171.2	-171.2	-177.7	179.9	-165.7	0	108.8	N103 I104 H106 L882	N103-K886 PolarHBondContact O-NZ 2.65Å; I104-K886 HydrophobicContact CG2-CG 4.45Å; I104-K886 WeakPolarHBondContact O-CD 3.44Å; I104-K886 WeakPolarHBondContact O-CE 3.09Å; I104-K886 PolarHBondContact O-NZ 2.88Å; H106-K886 PolarHBondContact O-NZ 2.88Å; H106-K886 VanDerWaalsContact O-NZ 3.13Å; L882-K886 HydrophobicContact CD1-CB 4.4Å; L882-K886 HydrophobicContact CD1-CD 4.46Å; L882-K886 PolarHBondContact N-O 2.94Å
887	S	81.6	Confident	83.4	Confident	83 Å²	83	69.6 Å²	69.6	58%	0.58	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	152.2	178	65	0	0	0	0	111.3	E880 G885	E880-S887 CarbonylContact O-C 3.53Å; E880-S887 VanDerWaalsContact O-CA 3.32Å; E880-S887 WeakPolarHBondContact O-CA 3.21Å; G885-S887 PolarHBondContact O-N 2.83Å; G885-S887 VanDerWaalsContact O-N 3.14Å
888	I	82.9	Confident	83	Confident	40 Å²	40	70.1 Å²	70.1	21%	0.205	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	130.3	174.2	-65.7	178.4	0	0	0	107.4	I104 Y879 E880	I104-I888 HydrophobicContact CB-CD1 4.46Å; I104-I888 HydrophobicContact CG2-CB 3.99Å; I104-I888 HydrophobicContact CG2-CD1 3.71Å; I104-I888 HydrophobicContact CG2-CG1 3.59Å; Y879-I888 VanDerWaalsContact CA-O 3.32Å; Y879-I888 WeakPolarHBondContact CA-O 3.39Å; E880-I888 PolarHBondContact N-O 3.04Å; E880-I888 PolarHBondContact O-N 2.89Å
889	M	83.7	Confident	82.8	Confident	131 Å²	131	72.9 Å²	72.9	65%	0.645	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128	126.1	176.4	179.9	174.8	61.9	0	0	109.3	R878	R878-M889 WeakPolarHBondContact O-CA 3.38Å
890	S	84.1	Confident	82.7	Confident	39 Å²	39	72.2 Å²	72.2	27%	0.273	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	115.2	172.9	164.6	0	0	0	0	107.1	R878	R878-S890 PolarHBondContact N-O 3.16Å; R878-S890 PolarHBondContact NE-OG 3.23Å; R878-S890 VanDerWaalsContact NE-OG 3.11Å; R878-S890 PolarHBondContact NH2-OG 2.83Å; R878-S890 PolarHBondContact O-N 3.39Å
891	R	85.9	Confident	82.7	Confident	134 Å²	134	73.9 Å²	73.9	51%	0.506	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.6	-179.6	-175.3	173.8	-179.9	-170.5	0	110.4	F876	F876-R891 CarbonylContact O-C 3.59Å; F876-R891 WeakPolarHBondContact O-CA 3.46Å
892	K	85.6	Confident	82.8	Confident	114 Å²	114	77.7 Å²	77.7	50%	0.496	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	146.3	173.7	-165	165.4	-169.6	166.5	0	109.6	E55 Y875 F876	E55-K892 WeakPolarHBondContact OE1-CD 3.47Å; E55-K892 IonicContact OE1-NZ 2.59Å; E55-K892 PolarHBondContact OE1-NZ 3.25Å; Y875-K892 WeakPolarHBondContact CA-O 3.5Å; F876-K892 PolarHBondContact N-O 3.2Å; F876-K892 PolarHBondContact O-N 3.08Å
893	A	87.7	Confident	82.8	Confident	54 Å²	54	78 Å²	78	45%	0.446	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.9	173.2	0	0	0	0	0	109.2	E874 Y875	E874-A893 CarbonylContact O-C 3.58Å; E874-A893 WeakPolarHBondContact O-CA 3.07Å; Y875-A893 HydrophobicContact CD1-CB 3.58Å; Y875-A893 HydrophobicContact CE1-CB 3.6Å
894	K	87.4	Confident	83.3	Confident	84 Å²	84	77.8 Å²	77.8	37%	0.365	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	108.7	163.2	-177	-157.4	169.6	-156.3	0	106.7	Y688 S873 E874	Y688-K894 PolarHBondContact OH-NZ 3.18Å; S873-K894 WeakPolarHBondContact CA-O 3.28Å; E874-K894 HydrophobicContact CB-CB 4.38Å; E874-K894 PolarHBondContact N-O 3.33Å; E874-K894 PolarHBondContact O-N 2.77Å; E874-K894 WeakPolarHBondContact OE2-CD 3.48Å
895	K	88.6	Confident	84	Confident	149 Å²	149	73.8 Å²	73.8	65%	0.648	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	140	171.1	-61.4	-160.4	171.4	-168.6	0	109.5	V872 Y875	V872-K895 WeakPolarHBondContact O-CA 3.49Å; Y875-K895 WeakPolarHBondContact OH-CE 3.26Å
896	Q	85.5	Confident	84.5	Confident	61 Å²	61	71.4 Å²	71.4	29%	0.285	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	145.8	178	-173.2	173.4	-26.9	0	0	108.6	V872	V872-Q896 PolarHBondContact N-O 3.35Å; V872-Q896 PolarHBondContact O-N 2.92Å; V872-Q896 VanDerWaalsContact O-O 3.08Å
897	L	83.5	Confident	84.8	Confident	112 Å²	112	69.3 Å²	69.3	59%	0.586	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.1	172.5	-158.5	70.4	0	0	0	108.1	T869 P871	T869-L897 HydrophobicContact CG2-CD1 4.02Å; T869-L897 HydrophobicContact CG2-CD2 3.5Å; T869-L897 VanDerWaalsContact CG2-CD2 3.5Å; T869-L897 HydrophobicContact CG2-CG 3.54Å; P871-L897 HydrophobicContact CB-CD1 4.43Å
898	V	80.3	Confident	84.8	Confident	14 Å²	14	66.4 Å²	66.4	9%	0.085	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	120.4	171.3	178.3	0	0	0	0	107.1	T869 F870 V872	T869-V898 WeakPolarHBondContact CA-O 3.43Å; F870-V898 HydrophobicContact CD1-CB 4.21Å; F870-V898 HydrophobicContact CD1-CG1 4.37Å; F870-V898 HydrophobicContact CD2-CB 3.97Å; F870-V898 HydrophobicContact CD2-CG2 4.22Å; F870-V898 HydrophobicContact CE1-CB 3.9Å; F870-V898 HydrophobicContact CE1-CG1 3.68Å; F870-V898 HydrophobicContact CE2-CB 3.66Å; F870-V898 HydrophobicContact CE2-CG1 4.13Å; F870-V898 HydrophobicContact CE2-CG2 3.67Å; F870-V898 HydrophobicContact CG-CB 4.25Å; F870-V898 HydrophobicContact CZ-CB 3.63Å; F870-V898 HydrophobicContact CZ-CG1 3.55Å; F870-V898 HydrophobicContact CZ-CG2 3.95Å; F870-V898 PolarHBondContact N-O 3.4Å; F870-V898 PolarHBondContact O-N 3.18Å; V872-V898 HydrophobicContact CG2-CG2 3.62Å
899	P	82.9	Confident	84.8	Confident	92 Å²	92	64.7 Å²	64.7	60%	0.597	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-63.7	145.3	-176.9	27.3	-35.1	0	0	0	111	K867	K867-P899 WeakPolarHBondContact CE-O 3.48Å; K867-P899 PolarHBondContact NZ-O 3.43Å
900	G	85.3	Confident	85	Confident	30 Å²	30	60.3 Å²	60.3	31%	0.309	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-64.7	162.9	172.8	0	0	0	0	0	112.7	K867 T869	K867-G900 CarbonylContact O-C 3.33Å; K867-G900 WeakPolarHBondContact O-CA 3.2Å; T869-G900 PolarHBondContact OG1-N 3.21Å
901	S	86.3	Confident	85.1	Confident	46 Å²	46	58.7 Å²	58.7	32%	0.322	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	135.6	177.9	60.6	0	0	0	0	111.5	K867	K867-S901 VanDerWaalsContact CB-O 3.24Å; K867-S901 WeakPolarHBondContact CB-O 3.33Å; K867-S901 PolarHBondContact N-O 2.99Å; K867-S901 PolarHBondContact NZ-OG 2.96Å; K867-S901 PolarHBondContact O-N 2.99Å
902	E	87.8	Confident	84.9	Confident	111 Å²	111	52.3 Å²	52.3	52%	0.519	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	141.2	161.1	-62.5	-172	153.7	0	0	110.9	Q864 M865 D866	Q864-E902 PolarHBondContact NE2-OE1 3.29Å; M865-E902 WeakPolarHBondContact O-CA 3.44Å; D866-E902 HydrophobicContact CB-CG 4.43Å
903	F	84	Confident	84.9	Confident	21 Å²	21	47.7 Å²	47.7	9%	0.092	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-89.6	124.8	167.4	-70	-68.6	0	0	0	109.9	M624 Y634 L846 M865 K867 L905	M624-F903 HydrophobicContact CB-CE1 4.21Å; M624-F903 HydrophobicContact CB-CZ 4.11Å; M624-F903 HydrophobicContact CE-CD2 4Å; M624-F903 HydrophobicContact CE-CE2 3.52Å; M624-F903 HydrophobicContact CE-CZ 3.92Å; Y634-F903 HydrophobicContact CE1-CB 4.27Å; Y634-F903 HydrophobicContact CE1-CD1 4.1Å; Y634-F903 HydrophobicContact CE1-CG 4.34Å; Y634-F903 HydrophobicContact CE2-CB 4.41Å; L846-F903 HydrophobicContact CD1-CD2 3.92Å; L846-F903 HydrophobicContact CD1-CE2 3.74Å; M865-F903 HydrophobicContact CB-CB 4.27Å; M865-F903 HydrophobicContact CG-CB 4.32Å; M865-F903 HydrophobicContact CG-CD2 4.17Å; M865-F903 PolarHBondContact O-N 3.43Å; M865-F903 HydrophobicContact SD-CB 3.91Å; M865-F903 HydrophobicContact SD-CD2 3.92Å; M865-F903 HydrophobicContact SD-CG 4.26Å; K867-F903 HydrophobicContact CB-CD2 4.33Å; K867-F903 HydrophobicContact CB-CE2 3.77Å; K867-F903 HydrophobicContact CB-CZ 4.49Å; K867-F903 HydrophobicContact CD-CE2 4.02Å; K867-F903 HydrophobicContact CD-CZ 3.96Å; K867-F903 HydrophobicContact CG-CE2 4.04Å; K867-F903 HydrophobicContact CG-CZ 4.48Å; F903-L905 PolarHBondContact O-N 2.74Å
904	P	86.1	Confident	84.9	Confident	82 Å²	82	49.5 Å²	49.5	53%	0.532	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-69.4	127.6	-177.4	28	-34.5	0	0	0	110.6	F620 Y634	F620-P904 WeakPolarHBondContact CE1-O 3.27Å; F620-P904 WeakPolarHBondContact CZ-O 3.5Å; Y634-P904 PolarHBondContact OH-O 3.01Å
905	L	85.6	Confident	84.9	Confident	5 Å²	5	51.2 Å²	51.2	3%	0.026	27%	0.269	C	S	.	.			trans	-83.5	-167.6	168.1	-62.7	-179.6	0	0	0	110.6	F620 Y634 L636 M863 M865 F903 Q907 N909	F620-L905 VanDerWaalsContact CD2-C 3.45Å; F620-L905 WeakPolarHBondContact CE2-O 3.5Å; F620-L905 WeakPolarHBondContact CZ-O 3.45Å; Y634-L905 HydrophobicContact CE2-CD2 4.39Å; L636-L905 HydrophobicContact CB-CD2 4.5Å; L636-L905 HydrophobicContact CD2-CD1 3.95Å; L636-L905 HydrophobicContact CD2-CD2 3.7Å; L636-L905 HydrophobicContact CD2-CG 4.46Å; M863-L905 HydrophobicContact CB-CD1 3.44Å; M863-L905 VanDerWaalsContact CB-CD1 3.44Å; M863-L905 HydrophobicContact CE-CD1 4.48Å; M865-L905 HydrophobicContact CE-CD2 3.94Å; F903-L905 PolarHBondContact O-N 2.74Å; L905-Q907 PolarHBondContact O-N 3.32Å; L905-N909 HydrophobicContact CB-CB 4.44Å
906	H	82.1	Confident	84.6	Confident	10 Å²	10	44.4 Å²	44.4	5%	0.046	24%	0.24	C	C	.	.			trans	-53.2	134.3	174.8	48.6	-93.6	0	0	0	110.8	S618 F620 F676 E908 N909	S618-H906 VanDerWaalsContact CB-CE1 3.42Å; S618-H906 WeakPolarHBondContact CB-CE1 3.5Å; S618-H906 WeakPolarHBondContact CB-ND1 3.41Å; S618-H906 PolarHBondContact OG-CE1 2.97Å; S618-H906 PolarHBondContact OG-ND1 3.15Å; F620-H906 HydrophobicContact CB-CB 4.15Å; F620-H906 HydrophobicContact CD2-CB 3.82Å; F620-H906 HydrophobicContact CG-CB 4.38Å; F676-H906 AromaticContact CE1-CD2 3.41Å; F676-H906 VanDerWaalsContact CE1-CD2 3.41Å; F676-H906 WeakPolarHBondContact CE1-CD2 3.37Å; F676-H906 AromaticContact CE1-NE2 3.43Å; F676-H906 WeakPolarHBondContact CE1-NE2 3.32Å; F676-H906 AromaticContact CZ-CD2 3.33Å; F676-H906 WeakPolarHBondContact CZ-CD2 3.44Å; F676-H906 AromaticContact CZ-NE2 3.57Å; H906-E908 PolarHBondContact O-N 3.06Å; H906-N909 PolarHBondContact CD2-N 3.04Å; H906-N909 WeakPolarHBondContact NE2-CB 3.34Å; H906-N909 WeakPolarHBondContact O-CB 3.35Å; H906-N909 PolarHBondContact O-N 3.02Å
907	Q	84	Confident	84.4	Confident	44 Å²	44	45.8 Å²	45.8	21%	0.206	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.7	-38.5	-172.5	173.3	59.6	80.4	0	0	112.5	Y679 Y680 L905 S910 N911	Y679-Q907 VanDerWaalsContact O-CD 3.28Å; Y679-Q907 PolarHBondContact O-NE2 3.33Å; Y679-Q907 PolarHBondContact O-OE1 2.74Å; Y680-Q907 VanDerWaalsContact N-OE1 3.08Å; L905-Q907 PolarHBondContact O-N 3.32Å; Q907-S910 PolarHBondContact O-N 2.96Å; Q907-N911 PolarHBondContact O-ND2 3.09Å
908	E	80.8	Confident	84.1	Confident	22 Å²	22	47 Å²	47	10%	0.103	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-30.2	-175	-58.4	174.6	102	0	0	112.6	K576 F676 Y677 H906 N911	K576-E908 VanDerWaalsContact NZ-CD 3.32Å; K576-E908 IonicContact NZ-OE1 2.96Å; K576-E908 PolarHBondContact NZ-OE1 3.25Å; K576-E908 IonicContact NZ-OE2 2.88Å; K576-E908 PolarHBondContact NZ-OE2 3.28Å; F676-E908 HydrophobicContact CB-CB 4.47Å; F676-E908 HydrophobicContact CD1-CB 3.32Å; F676-E908 WeakPolarHBondContact CD1-O 3.38Å; F676-E908 HydrophobicContact CD2-CB 3.37Å; F676-E908 HydrophobicContact CD2-CG 3.85Å; F676-E908 WeakPolarHBondContact CD2-OE1 3.28Å; F676-E908 HydrophobicContact CE1-CB 3.18Å; F676-E908 HydrophobicContact CE1-CG 4.46Å; F676-E908 HydrophobicContact CE2-CB 3.21Å; F676-E908 HydrophobicContact CE2-CG 3.68Å; F676-E908 VanDerWaalsContact CE2-OE1 3.25Å; F676-E908 WeakPolarHBondContact CE2-OE1 3.45Å; F676-E908 WeakPolarHBondContact CE2-OE2 3.13Å; F676-E908 HydrophobicContact CG-CB 3.46Å; F676-E908 VanDerWaalsContact CG-CB 3.46Å; F676-E908 HydrophobicContact CG-CG 4.35Å; F676-E908 HydrophobicContact CZ-CB 3.14Å; F676-E908 HydrophobicContact CZ-CG 4.03Å; Y677-E908 PolarHBondContact N-O 2.76Å; H906-E908 PolarHBondContact O-N 3.06Å; E908-N911 VanDerWaalsContact C-ND2 3.26Å; E908-N911 VanDerWaalsContact CA-ND2 3.3Å; E908-N911 WeakPolarHBondContact CA-ND2 3.48Å; E908-N911 PolarHBondContact O-ND2 3.3Å
909	N	83.9	Confident	82.9	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.021	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-40.3	172.8	165.5	83.9	0	0	0	112.7	M863 L905 H906 N911 M912 C913	M863-N909 HydrophobicContact CE-CB 4.43Å; M863-N909 WeakPolarHBondContact CE-OD1 3.46Å; M863-N909 PolarHBondContact N-OD1 3.1Å; M863-N909 PolarHBondContact O-ND2 2.82Å; L905-N909 HydrophobicContact CB-CB 4.44Å; H906-N909 PolarHBondContact CD2-N 3.04Å; H906-N909 WeakPolarHBondContact NE2-CB 3.34Å; H906-N909 WeakPolarHBondContact O-CB 3.35Å; H906-N909 PolarHBondContact O-N 3.02Å; N909-N911 PolarHBondContact O-N 2.78Å; N909-M912 PolarHBondContact O-N 3.39Å; N909-M912 VanDerWaalsContact O-N 3.08Å; N909-C913 PolarHBondContact O-N 2.82Å
910	S	86.8	Confident	81.3	Confident	38 Å²	38	48.9 Å²	48.9	27%	0.266	26%	0.264	S	S	.	.	H	α-helix	trans	-58.9	-3.4	-178.3	-52.8	0	0	0	0	114.2	Q907 K914	Q907-S910 PolarHBondContact O-N 2.96Å; S910-K914 WeakPolarHBondContact O-CG 3.28Å
911	N	86.2	Confident	78.9	Confident	5 Å²	5	61.7 Å²	61.7	3%	0.027	30%	0.303	C	S	.	.	H	α-helix	trans	-115.1	-18.6	-177.5	-31.2	-76.8	0	0	0	113.3	Y677 H678 Q907 E908 N909 C913 K914 R915	Y677-N911 WeakPolarHBondContact O-CB 3.45Å; H678-N911 WeakPolarHBondContact CA-ND2 3.28Å; H678-N911 WeakPolarHBondContact CA-OD1 3.47Å; H678-N911 PolarHBondContact N-ND2 3.07Å; H678-N911 PolarHBondContact N-OD1 2.85Å; H678-N911 PolarHBondContact O-OD1 2.75Å; Q907-N911 PolarHBondContact O-ND2 3.09Å; E908-N911 VanDerWaalsContact C-ND2 3.26Å; E908-N911 VanDerWaalsContact CA-ND2 3.3Å; E908-N911 WeakPolarHBondContact CA-ND2 3.48Å; E908-N911 PolarHBondContact O-ND2 3.3Å; N909-N911 PolarHBondContact O-N 2.78Å; N911-C913 VanDerWaalsContact C-N 3.33Å; N911-K914 HydrophobicContact CB-CD 4.31Å; N911-K914 PolarHBondContact OD1-NZ 3.41Å; N911-R915 WeakPolarHBondContact O-CG 3.25Å; N911-R915 PolarHBondContact O-N 2.84Å; N911-R915 VanDerWaalsContact O-N 3.09Å
912	M	82.8	Confident	78.6	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-70.4	-39	155.7	-58.8	86.8	96.4	0	0	109	N674 F675 F676 L860 V861 N909 K914 R915 V916	N674-M912 WeakPolarHBondContact OD1-CE 3.42Å; F675-M912 HydrophobicContact CD2-CE 3.87Å; F676-M912 VanDerWaalsContact CA-SD 3.57Å; F676-M912 HydrophobicContact CD1-CE 3.54Å; F676-M912 HydrophobicContact CD1-SD 3.62Å; F676-M912 HydrophobicContact CE1-CE 3.94Å; F676-M912 HydrophobicContact CE1-SD 4.38Å; L860-M912 HydrophobicContact CD2-CB 4.44Å; L860-M912 HydrophobicContact CD2-CG 4.08Å; V861-M912 WeakPolarHBondContact O-CB 3.31Å; V861-M912 WeakPolarHBondContact O-CE 3.13Å; N909-M912 PolarHBondContact O-N 3.39Å; N909-M912 VanDerWaalsContact O-N 3.08Å; M912-K914 PolarHBondContact O-N 3.01Å; M912-R915 CarbonylContact O-C 3.4Å; M912-R915 PolarHBondContact O-N 3.13Å; M912-V916 VanDerWaalsContact O-CB 3.31Å; M912-V916 WeakPolarHBondContact O-CB 2.98Å; M912-V916 VanDerWaalsContact O-CG2 3.25Å; M912-V916 WeakPolarHBondContact O-CG2 3.39Å; M912-V916 PolarHBondContact O-N 2.86Å
913	C	85.4	Confident	78.1	Confident	17 Å²	17	59.9 Å²	59.9	12%	0.115	29%	0.29	C	S	.	.	H	α-helix	trans	-55.1	-41.5	171.7	-62.1	0	0	0	0	111.7	C862 N909 N911 F917	C862-C913 VanDerWaalsContact CA-SG 3.56Å; C862-C913 HydrophobicContact CB-CB 3.96Å; C862-C913 WeakPolarHBondContact CB-SG 3.39Å; C862-C913 WeakPolarHBondContact SG-CA 3.44Å; C862-C913 WeakPolarHBondContact SG-CB 3.25Å; C862-C913 CovalentContact SG-SG 2.04Å; C862-C913 PolarHBondContact SG-SG 3.43Å; N909-C913 PolarHBondContact O-N 2.82Å; N911-C913 VanDerWaalsContact C-N 3.33Å; C913-F917 HydrophobicContact CB-CD2 4.35Å; C913-F917 HydrophobicContact CB-CE2 4.17Å; C913-F917 WeakPolarHBondContact O-CB 3.16Å; C913-F917 WeakPolarHBondContact O-CD2 3.33Å; C913-F917 WeakPolarHBondContact O-CG 3.2Å; C913-F917 PolarHBondContact O-N 3.07Å
914	K	88.8	Confident	77.7	Confident	93 Å²	93	62.1 Å²	62.1	40%	0.404	30%	0.301	S	S	.	.	H	α-helix	trans	-55.9	-59.5	168.2	-68.2	166.3	-165.6	162.9	0	111.6	S910 N911 M912 V916 F917 E918	S910-K914 WeakPolarHBondContact O-CG 3.28Å; N911-K914 HydrophobicContact CB-CD 4.31Å; N911-K914 PolarHBondContact OD1-NZ 3.41Å; M912-K914 PolarHBondContact O-N 3.01Å; K914-V916 PolarHBondContact O-N 3.41Å; K914-F917 PolarHBondContact O-N 3.46Å; K914-E918 VanDerWaalsContact O-CB 3.28Å; K914-E918 WeakPolarHBondContact O-CB 3.31Å; K914-E918 WeakPolarHBondContact O-CG 3.36Å; K914-E918 PolarHBondContact O-N 3.27Å
915	R	85.9	Confident	77.3	Confident	119 Å²	119	60.9 Å²	60.9	45%	0.449	29%	0.288	S	S	.	.	H	α-helix	trans	-58.5	-40.6	-178.2	-68	-178.5	-167	175.2	10.4	114.5	F676 L860 N911 M912 E918 S919	F676-R915 PolarHBondContact O-NH2 3.31Å; L860-R915 HydrophobicContact CD1-CB 4.29Å; L860-R915 HydrophobicContact CD2-CB 4.34Å; N911-R915 WeakPolarHBondContact O-CG 3.25Å; N911-R915 PolarHBondContact O-N 2.84Å; N911-R915 VanDerWaalsContact O-N 3.09Å; M912-R915 CarbonylContact O-C 3.4Å; M912-R915 PolarHBondContact O-N 3.13Å; R915-E918 PolarHBondContact O-N 3.43Å; R915-S919 PolarHBondContact O-N 2.68Å
916	V	82.6	Confident	76.7	Confident	7 Å²	7	64.4 Å²	64.4	4%	0.042	30%	0.304	C	S	.	.	H	α-helix	trans	-65.9	-45.7	179.3	171	0	0	0	0	109.9	T851 L860 C862 M912 K914 S919	T851-V916 HydrophobicContact CG2-CG1 4.11Å; L860-V916 HydrophobicContact CB-CG2 4.12Å; C862-V916 HydrophobicContact CB-CB 4.47Å; C862-V916 HydrophobicContact CB-CG2 4.37Å; M912-V916 VanDerWaalsContact O-CB 3.31Å; M912-V916 WeakPolarHBondContact O-CB 2.98Å; M912-V916 VanDerWaalsContact O-CG2 3.25Å; M912-V916 WeakPolarHBondContact O-CG2 3.39Å; M912-V916 PolarHBondContact O-N 2.86Å; K914-V916 PolarHBondContact O-N 3.41Å; V916-S919 PolarHBondContact O-N 3.16Å; V916-S919 PolarHBondContact O-OG 3.46Å
917	F	82	Confident	76.4	Confident	90 Å²	90	68 Å²	68	40%	0.395	32%	0.321	S	S	.	.	H	α-helix	trans	-78.9	-21.1	176.8	-60.5	-48.4	0	0	0	114.1	C913 K914 S919 S920	C913-F917 HydrophobicContact CB-CD2 4.35Å; C913-F917 HydrophobicContact CB-CE2 4.17Å; C913-F917 WeakPolarHBondContact O-CB 3.16Å; C913-F917 WeakPolarHBondContact O-CD2 3.33Å; C913-F917 WeakPolarHBondContact O-CG 3.2Å; C913-F917 PolarHBondContact O-N 3.07Å; K914-F917 PolarHBondContact O-N 3.46Å; F917-S919 VanDerWaalsContact C-N 3.3Å; F917-S920 PolarHBondContact O-OG 2.93Å; F917-S920 VanDerWaalsContact O-OG 3.13Å
918	E	76.2	Confident	75.8	Confident	136 Å²	136	69.7 Å²	69.7	64%	0.636	33%	0.33	S	S	*	.	H	α-helix	trans	-67.9	-30.2	166.2	-76.3	160	-169.7	0	0	111.2	K914 R915 S920	K914-E918 VanDerWaalsContact O-CB 3.28Å; K914-E918 WeakPolarHBondContact O-CB 3.31Å; K914-E918 WeakPolarHBondContact O-CG 3.36Å; K914-E918 PolarHBondContact O-N 3.27Å; R915-E918 PolarHBondContact O-N 3.43Å; E918-S920 VanDerWaalsContact C-N 3.28Å; E918-S920 PolarHBondContact O-N 3.49Å
919	S	56.2	Low	75.4	Confident	71 Å²	71	73.4 Å²	73.4	50%	0.497	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-3.1	177.7	77.6	0	0	0	0	115.1	Q853 R915 V916 F917	Q853-S919 PolarHBondContact NE2-OG 3.29Å; R915-S919 PolarHBondContact O-N 2.68Å; V916-S919 PolarHBondContact O-N 3.16Å; V916-S919 PolarHBondContact O-OG 3.46Å; F917-S919 VanDerWaalsContact C-N 3.3Å
920	S	48.6	Very low	74.7	Confident	76 Å²	76	79.2 Å²	79.2	53%	0.531	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	28	-171.4	75.1	0	0	0	0	114.6	F917 E918	F917-S920 PolarHBondContact O-OG 2.93Å; F917-S920 VanDerWaalsContact O-OG 3.13Å; E918-S920 VanDerWaalsContact C-N 3.28Å; E918-S920 PolarHBondContact O-N 3.49Å
921	W	35.4	Very low	73.6	Confident	298 Å²	298	82.9 Å²	82.9	100%	1.129	38%	0.384	S	S	*	.			trans	-132.9	0	179.7	-85.8	83.6	0	0	0	112.2

Retrieved 921 of 921 residues in 272.4 ms (Link to these results)

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