A0A087XT17_POEFO Loading...

non-specific protein-tyrosine kinase

AlphaFold DB , UniProt , Accession A0A087XT17, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 995 aa.

						>A0A087XT17_POEFO|A0A087XT17
MYEVMSGDTLAWKGASPRQSSTDSSPENEITGEGGPVKILKVCFCTNNNLGKNFKLVKCDSSWKIQAIIRSILISGRLGPNVELSKCYGLLLKHLKSEELHWLHPDLTVGEVEQRYESHHVEAEWRYDLRIRYIPVNFLEKFKNDRSTFLYFYQQVRSDYMQCHASKVSDGMALQLGCLEIRRFYKDMNAKGLEKKSNFELLEKEVGLDLFFPQQLINSMKPKQLRKMIQQTFQQYATLKEDGCMIKFFETLKTFTSFDEEVFPCELVQGWSLSVELVIGGRGIRQRSQKDSAALFLTDFKQIKKIQCLTQTDDKALLNISVEGAKQNLSISVASVPIAENMMDLIDGYCRLENDTDDSVIYRPNKDAKSAQVSLPDIPTSTDTNSSRHSMGSDIYCEILDERPKSAVKYGIDRSDIILGRILGEGFFGEVYDGVYKRANGERVNVAVKTCKDCSSDVMEKFMSEAVIMKNLDHPHIVKLIGIIEEDPVWIVMELYQYGELGKYLTQNQNKLTNTTLVLFSLQICKALVYLGGCNMVHRDIAVRNVLVASPDCVKLGDFGLSRYIEDEEYYKASVTRLPIKWMAPESINFRRFTSASDVWMFAVCMWEIMSQGQQPFFWLENRDVINQLEQGIRLPKPENCPPALYSLMTRCWSYDPGERPSFTELVIKISDVHKMEKELDVERERDRARATKFLEPKVSFADAPPKPSRTKPSRFGNTLSIGLHIQLNEALCASSPDLASPCEYQSPIDSRNTLALPVRSPRRRSMGESEFMRMEPNSREDAQQLWQRERQHMQETLRIQKEQMKEDKKWLEEEERLLDPMGQDDFPIAEPTEDESENAPPEKPPRLRAQAAPTAEIDRSDDKVYQYVMDLVKVVVQLKNDITGLQPEQYNSIVKSVGMALRDLIRSVDDVLPSLHESIRTEIEGTQKLLNNDMAELISKMRLAQQNSITSLKEECKKQMLAAAHTLAMDSKNMLDAVDQARVRANIAKPAAPE
					

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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	29.1	Very low	25.6	Very low	218 Å²	218	140.7 Å²	140.7	100%	1.074	78%	0.782	S	S	*	*				0	105.3	0	-170.3	-160.7	-92.5	0	0	105.4
2	Y	25.1	Very low	25.4	Very low	199 Å²	199	146.4 Å²	146.4	78%	0.78	78%	0.783	S	S	*	*			trans	58.8	155.2	-177.6	-51.9	-71.1	0	0	0	117.3
3	E	24.8	Very low	25.3	Very low	156 Å²	156	148.7 Å²	148.7	73%	0.729	78%	0.781	S	S	*	*			cis	-155.6	132.8	-44.3	-112.1	175.3	158.9	0	0	104.9
4	V	27.5	Very low	25.2	Very low	129 Å²	129	143.6 Å²	143.6	78%	0.782	78%	0.783	S	S	*	*				54.1	127.3	86	-174.2	0	0	0	0	114.8
5	M	24.9	Very low	25	Very low	177 Å²	177	141.5 Å²	141.5	87%	0.872	79%	0.792	S	S	*	*			trans	142.8	141.5	153.2	-79.1	-74.5	-162.4	0	0	110.4
6	S	26.3	Very low	25.3	Very low	100 Å²	100	139.3 Å²	139.3	70%	0.699	79%	0.789	S	S	*	*			cis	-169.6	141.3	-23.7	-164.1	0	0	0	0	111.8
7	G	24.9	Very low	25.6	Very low	65 Å²	65	137.6 Å²	137.6	67%	0.67	79%	0.785	S	S	*	*			trans	61.6	176.3	144.7	0	0	0	0	0	121
8	D	25.8	Very low	25.4	Very low	145 Å²	145	142 Å²	142	78%	0.775	79%	0.787	S	S	*	*			cis	-168.3	141.9	-21.2	-124.7	-21.7	0	0	0	111.6
9	T	25.7	Very low	25.3	Very low	130 Å²	130	142.9 Å²	142.9	80%	0.798	79%	0.785	S	S	*	*			trans	167.8	128.8	157.6	19.8	0	0	0	0	108.3
10	L	23.5	Very low	25.1	Very low	155 Å²	155	140.5 Å²	140.5	81%	0.812	78%	0.778	S	S	*	*			cis	72.8	127.4	38.8	-59.2	172	0	0	0	114.9
11	A	23.8	Very low	25.1	Very low	74 Å²	74	138.1 Å²	138.1	61%	0.612	77%	0.771	S	S	*	*			cis	-177.4	176.8	-28.2	0	0	0	0	0	110.4
12	W	23.6	Very low	24.9	Very low	209 Å²	209	133.4 Å²	133.4	79%	0.792	76%	0.755	S	S	*	*			trans	99.2	112	158.9	-65.5	78.4	0	0	0	121.6
13	K	24.6	Very low	24.9	Very low	176 Å²	176	130.5 Å²	130.5	77%	0.765	75%	0.753	S	S	*	*			trans	30.3	145.3	131.9	-51.5	179.3	-170.8	165.2	0	120.2
14	G	23.7	Very low	25	Very low	78 Å²	78	127.2 Å²	127.2	80%	0.804	75%	0.747	S	S	*	*			cis	-178	-171	6.1	0	0	0	0	0	108.9
15	A	21.5	Very low	24.9	Very low	111 Å²	111	126.3 Å²	126.3	92%	0.917	75%	0.747	S	S	*	*			cis	-154	-167.6	10.2	0	0	0	0	0	110.9
16	S	30.5	Very low	25.5	Very low	106 Å²	106	123.8 Å²	123.8	74%	0.741	74%	0.744	S	S	*	*			trans	-140.7	147.8	-176.9	176.1	0	0	0	0	113.1
17	P	29.9	Very low	25.8	Very low	112 Å²	112	127.8 Å²	127.8	73%	0.727	75%	0.751	S	S	*	*				-136.1	142.3	125.1	32.7	-17.3	0	0	0	112.5
18	R	22.4	Very low	26.2	Very low	216 Å²	216	130.6 Å²	130.6	82%	0.815	75%	0.751	S	S	*	*				61.4	141.1	89.5	-59.4	-179.6	-177.9	-170.1	0.2	114.5
19	Q	22.5	Very low	26.6	Very low	160 Å²	160	131.2 Å²	131.2	75%	0.748	75%	0.749	S	S	*	*			cis	-160.3	168.7	14	-128.7	163.5	-65	0	0	114.1
20	S	22.1	Very low	27	Very low	94 Å²	94	133 Å²	133	66%	0.657	75%	0.752	S	S	*	*			trans	-30.8	162	156.4	54.3	0	0	0	0	118.1
21	S	25	Very low	27.5	Very low	90 Å²	90	132.6 Å²	132.6	63%	0.629	76%	0.756	S	S	*	*			cis	177.4	-175.4	-4.2	51.1	0	0	0	0	110.1
22	T	24.7	Very low	28	Very low	119 Å²	119	131.9 Å²	131.9	73%	0.73	76%	0.756	S	S	*	*			trans	64.4	145.8	155.4	52.1	0	0	0	0	117.2
23	D	25.1	Very low	28.7	Very low	138 Å²	138	131.2 Å²	131.2	74%	0.738	76%	0.761	S	S	*	*			cis	-169.5	168.8	-2	-117.9	39.1	0	0	0	108.4
24	S	26.9	Very low	29.7	Very low	87 Å²	87	126.5 Å²	126.5	61%	0.608	76%	0.763	S	S	*	*			cis	-176.5	-164.8	-26.7	57.7	0	0	0	0	109.3
25	S	25.6	Very low	31.3	Very low	111 Å²	111	123.8 Å²	123.8	78%	0.776	74%	0.735	S	S	*	*			trans	80.5	151.1	169.8	82.4	0	0	0	0	120.2
26	P	38.3	Very low	33.6	Very low	124 Å²	124	123.3 Å²	123.3	81%	0.805	72%	0.723	S	S	*	*			cis	-124.3	171.6	-27.7	35.9	-19.8	0	0	0	114.1
27	E	31.5	Very low	35.8	Very low	183 Å²	183	122.9 Å²	122.9	86%	0.855	72%	0.715	S	S	*	*			trans	-107.9	173	-163.6	-62	173.3	110.1	0	0	116.3
28	N	33.6	Very low	38.3	Very low	124 Å²	124	118.7 Å²	118.7	66%	0.663	69%	0.686	S	S	*	*			trans	121.2	131.9	151.6	-70.8	35.4	0	0	0	115.1
29	E	33.4	Very low	41.2	Very low	159 Å²	159	113 Å²	113	74%	0.743	67%	0.67	S	S	*	*			cis	-160.6	-178.7	-7.9	-123.5	168.2	158.5	0	0	109
30	I	35.2	Very low	44.2	Very low	168 Å²	168	105.5 Å²	105.5	86%	0.862	64%	0.635	S	S	*	*			trans	76.4	64.8	-178.6	-38	172.7	0	0	0	115.2
31	T	33.6	Very low	47.3	Very low	146 Å²	146	106.1 Å²	106.1	90%	0.896	63%	0.626	S	S	*	*			trans	-147.6	130.3	145	8.6	0	0	0	0	109
32	G	34.1	Very low	50.4	Low	58 Å²	58	101.8 Å²	101.8	60%	0.598	60%	0.596	S	S	*	*			trans	-80.2	153	165	0	0	0	0	0	110.1
33	E	38.7	Very low	53.4	Low	195 Å²	195	96.5 Å²	96.5	91%	0.911	56%	0.564	S	S	*	*			trans	-57	139.9	174.7	-65.7	-172.3	127.7	0	0	111.2	G35	E33-G35 PolarHBondContact O-N 2.83Å
34	G	45.8	Very low	56.2	Low	78 Å²	78	90.4 Å²	90.4	80%	0.804	53%	0.531	S	S	*	.			trans	-65.3	97.1	-174.8	0	0	0	0	0	112.6
35	G	57.3	Low	58.4	Low	21 Å²	21	87.1 Å²	87.1	22%	0.216	51%	0.507	C	S	.	.	P	Polyproline II helix	trans	-65.4	171.1	173.9	0	0	0	0	0	113.3	E33 V37	E33-G35 PolarHBondContact O-N 2.83Å; G35-V37 PolarHBondContact O-N 2.63Å
36	P	68.8	Low	60.3	Low	101 Å²	101	83.6 Å²	83.6	66%	0.656	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-58.4	135.2	177.2	25.9	-34.3	0	0	0	111.1
37	V	77.8	Confident	61	Low	96 Å²	96	80.4 Å²	80.4	58%	0.582	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	126.7	-179.8	170.3	0	0	0	0	110.3	G35 K58 C59	G35-V37 PolarHBondContact O-N 2.63Å; V37-K58 HydrophobicContact CG1-CD 4.13Å; V37-K58 HydrophobicContact CG1-CG 3.74Å; V37-C59 WeakPolarHBondContact CA-O 3.45Å
38	K	82.2	Confident	61.9	Low	24 Å²	24	76.7 Å²	76.7	10%	0.104	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	155.2	173.7	-169.1	163.8	-167.5	169.5	0	111.6	L40 K58 C59 V109 E113 E117 E122	K38-L40 HydrophobicContact CD-CD2 3.85Å; K38-L40 HydrophobicContact CG-CD2 4.14Å; K38-L40 HydrophobicContact CG-CG 4.48Å; K38-K58 WeakPolarHBondContact O-CA 3.44Å; K38-C59 PolarHBondContact N-O 3.21Å; K38-C59 PolarHBondContact O-N 3.47Å; K38-C59 VanDerWaalsContact O-O 3.12Å; K38-V109 HydrophobicContact CD-CG1 4.08Å; K38-E113 VanDerWaalsContact CD-OE1 3.27Å; K38-E113 WeakPolarHBondContact CD-OE1 3.35Å; K38-E113 WeakPolarHBondContact CE-OE1 3.31Å; K38-E113 VanDerWaalsContact NZ-CG 3.35Å; K38-E113 IonicContact NZ-OE1 3.48Å; K38-E113 PolarHBondContact NZ-OE1 2.96Å; K38-E117 IonicContact NZ-OE2 2.89Å; K38-E117 PolarHBondContact NZ-OE2 2.95Å; K38-E122 WeakPolarHBondContact CE-OE1 3.44Å; K38-E122 IonicContact NZ-OE1 3.4Å
39	I	83.3	Confident	62.8	Low	97 Å²	97	73.7 Å²	73.7	50%	0.497	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	97.1	174.6	-56.9	179.1	0	0	0	109	L56 V57	I39-L56 HydrophobicContact CG2-CB 3.8Å; I39-L56 HydrophobicContact CG2-CD1 4.37Å; I39-L56 HydrophobicContact CG2-CD2 4.29Å; I39-L56 HydrophobicContact CG2-CG 4.37Å; I39-V57 WeakPolarHBondContact CA-O 3.13Å
40	L	85.5	Confident	63.7	Low	2 Å²	2	69 Å²	69	1%	0.01	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	129.8	179.7	-65.5	178.3	0	0	0	111.3	K38 V42 L56 V57 I68 V109 Y127	K38-L40 HydrophobicContact CD-CD2 3.85Å; K38-L40 HydrophobicContact CG-CD2 4.14Å; K38-L40 HydrophobicContact CG-CG 4.48Å; L40-V42 HydrophobicContact CB-CG2 4.36Å; L40-V42 PolarHBondContact O-N 3.11Å; L40-L56 WeakPolarHBondContact O-CA 3.29Å; L40-V57 PolarHBondContact N-O 3.15Å; L40-V57 PolarHBondContact O-N 3.3Å; L40-I68 HydrophobicContact CD1-CD1 4.12Å; L40-I68 HydrophobicContact CD1-CG1 4.35Å; L40-V109 HydrophobicContact CD1-CG1 4.4Å; L40-V109 HydrophobicContact CD1-CG2 3.96Å; L40-Y127 HydrophobicContact CD2-CE2 3.98Å
41	K	87.4	Confident	64.4	Low	107 Å²	107	61.9 Å²	61.9	47%	0.465	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	89.3	175	-175.6	179	179.7	175.9	0	110.9	F54 L56	K41-F54 HydrophobicContact CD-CD2 4.17Å; K41-F54 HydrophobicContact CD-CE2 4.42Å; K41-F54 HydrophobicContact CD-CG 4.34Å; K41-F54 VanDerWaalsContact CE-CD1 3.48Å; K41-F54 VanDerWaalsContact CE-CG 3.47Å; K41-F54 HydrophobicContact CG-CB 4.08Å; K41-F54 HydrophobicContact CG-CD2 3.71Å; K41-F54 HydrophobicContact CG-CE2 4.36Å; K41-F54 HydrophobicContact CG-CG 3.95Å; K41-L56 HydrophobicContact CB-CD2 3.88Å; K41-L56 HydrophobicContact CG-CD2 3.96Å
42	V	89.1	Confident	65.7	Low	0 Å²	0	62 Å²	62	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	119.3	-179.6	-173.6	0	0	0	0	110.9	L40 F54 K55 V57 I68 I72 L90 L129	L40-V42 HydrophobicContact CB-CG2 4.36Å; L40-V42 PolarHBondContact O-N 3.11Å; V42-F54 CarbonylContact O-C 3.55Å; V42-F54 WeakPolarHBondContact O-CA 3.47Å; V42-F54 WeakPolarHBondContact O-CB 3.25Å; V42-K55 PolarHBondContact N-O 3.24Å; V42-K55 PolarHBondContact O-N 2.98Å; V42-V57 HydrophobicContact CG2-CG2 4.46Å; V42-I68 HydrophobicContact CG2-CG2 4.04Å; V42-I72 HydrophobicContact CB-CD1 3.7Å; V42-I72 HydrophobicContact CG1-CD1 3.51Å; V42-I72 HydrophobicContact CG2-CD1 4Å; V42-L90 HydrophobicContact CG1-CD1 3.6Å; V42-L90 HydrophobicContact CG2-CD1 4.48Å; V42-L129 HydrophobicContact CG1-CB 3.91Å
43	C	88.1	Confident	67.4	Low	7 Å²	7	61.2 Å²	61.2	5%	0.047	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	153.9	-179.1	-58	0	0	0	0	111.8	N53 F54 R126 Y127 D128 L129	C43-N53 VanDerWaalsContact CA-O 3.29Å; C43-N53 WeakPolarHBondContact CA-O 3.4Å; C43-F54 HydrophobicContact CB-CB 4.45Å; C43-R126 VanDerWaalsContact CB-NH2 3.33Å; C43-Y127 WeakPolarHBondContact CB-O 3.41Å; C43-Y127 PolarHBondContact N-O 3.14Å; C43-D128 VanDerWaalsContact CB-OD1 3.29Å; C43-D128 WeakPolarHBondContact CB-OD1 3.3Å; C43-L129 PolarHBondContact O-N 3.47Å
44	F	84.4	Confident	69.5	Low	11 Å²	11	56.4 Å²	56.4	5%	0.048	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	162.9	179.2	51.3	-96.1	0	0	0	112.8	T46 N53 F54 K55 R77 L78 Y151	F44-T46 HydrophobicContact CD2-CG2 3.72Å; F44-T46 HydrophobicContact CE2-CG2 3.66Å; F44-N53 HydrophobicContact CD2-CB 4.1Å; F44-N53 HydrophobicContact CE2-CB 3.95Å; F44-N53 HydrophobicContact CZ-CB 4.49Å; F44-N53 PolarHBondContact N-O 3.33Å; F44-F54 VanDerWaalsContact CE1-C 3.41Å; F44-K55 HydrophobicContact CE1-CB 3.82Å; F44-R77 HydrophobicContact CZ-CB 4.06Å; F44-L78 HydrophobicContact CB-CD2 4Å; F44-L78 HydrophobicContact CD1-CD2 4.47Å; F44-L78 HydrophobicContact CD2-CD2 3.52Å; F44-L78 HydrophobicContact CE2-CD2 4.06Å; F44-L78 HydrophobicContact CG-CD2 3.77Å; F44-Y151 WeakPolarHBondContact CA-OH 3.31Å; F44-Y151 HydrophobicContact CB-CE2 3.96Å; F44-Y151 WeakPolarHBondContact CB-OH 3.35Å
45	C	72.6	Confident	71.2	Confident	17 Å²	17	54.8 Å²	54.8	12%	0.115	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	138.4	176.5	-66.2	0	0	0	0	112	Y151 Q154	C45-Y151 HydrophobicContact CB-CD2 4.49Å; C45-Y151 HydrophobicContact CB-CE2 3.88Å; C45-Y151 PolarHBondContact N-OH 3.5Å; C45-Y151 VanDerWaalsContact N-OH 3.13Å; C45-Y151 VanDerWaalsContact O-CE2 3.28Å; C45-Y151 WeakPolarHBondContact O-CE2 3.36Å; C45-Q154 HydrophobicContact CB-CB 3.93Å; C45-Q154 PolarHBondContact O-OE1 3.08Å
46	T	65.3	Low	72.4	Confident	37 Å²	37	58.6 Å²	58.6	23%	0.227	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	168.5	165.2	82.6	0	0	0	0	110.3	F44 N48 N53 Q154	F44-T46 HydrophobicContact CD2-CG2 3.72Å; F44-T46 HydrophobicContact CE2-CG2 3.66Å; T46-N48 PolarHBondContact O-N 3.37Å; T46-N48 VanDerWaalsContact O-N 3.1Å; T46-N53 HydrophobicContact CG2-CB 3.77Å; T46-N53 VanDerWaalsContact CG2-CG 3.43Å; T46-N53 PolarHBondContact OG1-ND2 2.93Å; T46-N53 PolarHBondContact OG1-OD1 2.88Å; T46-Q154 VanDerWaalsContact C-OE1 3.25Å
47	N	53	Low	73.1	Confident	58 Å²	58	54 Å²	54	31%	0.31	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-31.7	-175.5	-80.6	-60.8	0	0	0	115.4	Q154 R183	N47-Q154 PolarHBondContact OD1-NE2 3.46Å; N47-R183 PolarHBondContact OD1-NH1 3.05Å; N47-R183 PolarHBondContact OD1-NH2 2.67Å
48	N	49.9	Very low	73.5	Confident	104 Å²	104	54.5 Å²	54.5	56%	0.556	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-17	-162.6	-70.4	2.3	0	0	0	115.1	T46	T46-N48 PolarHBondContact O-N 3.37Å; T46-N48 VanDerWaalsContact O-N 3.1Å
49	N	52.7	Low	73.8	Confident	62 Å²	62	53.6 Å²	53.6	33%	0.332	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	126.8	177.6	-84.3	-82.2	0	0	0	110.6	G51 K52 N53	N49-G51 PolarHBondContact O-N 3Å; N49-G51 VanDerWaalsContact O-N 3.15Å; N49-K52 HydrophobicContact CB-CB 3.85Å; N49-K52 HydrophobicContact CB-CD 4.19Å; N49-K52 HydrophobicContact CB-CG 4.06Å; N49-K52 VanDerWaalsContact OD1-CD 3.32Å; N49-K52 WeakPolarHBondContact OD1-CD 3.44Å; N49-K52 WeakPolarHBondContact OD1-CE 3.22Å; N49-K52 PolarHBondContact OD1-NZ 3.15Å; N49-N53 PolarHBondContact O-ND2 3.21Å; N49-N53 VanDerWaalsContact O-ND2 3.13Å
50	L	52.9	Low	74.1	Confident	61 Å²	61	50.5 Å²	50.5	32%	0.319	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	111.5	169.1	-76.7	69.7	0	0	0	108.7	K52 M161	L50-K52 PolarHBondContact O-N 3.1Å; L50-M161 HydrophobicContact CD2-CB 3.99Å; L50-M161 HydrophobicContact CD2-CG 4.35Å
51	G	49.5	Very low	74.2	Confident	18 Å²	18	52 Å²	52	19%	0.186	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	77	3	167.7	0	0	0	0	0	118.4	N49 R126	N49-G51 PolarHBondContact O-N 3Å; N49-G51 VanDerWaalsContact O-N 3.15Å; G51-R126 PolarHBondContact O-NH1 3.28Å; G51-R126 PolarHBondContact O-NH2 3.44Å
52	K	60.4	Low	74.4	Confident	148 Å²	148	49.9 Å²	49.9	64%	0.643	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	-15.4	176.8	-59.8	-169.8	-166.9	154.1	0	115.4	N49 L50	N49-K52 HydrophobicContact CB-CB 3.85Å; N49-K52 HydrophobicContact CB-CD 4.19Å; N49-K52 HydrophobicContact CB-CG 4.06Å; N49-K52 VanDerWaalsContact OD1-CD 3.32Å; N49-K52 WeakPolarHBondContact OD1-CD 3.44Å; N49-K52 WeakPolarHBondContact OD1-CE 3.22Å; N49-K52 PolarHBondContact OD1-NZ 3.15Å; L50-K52 PolarHBondContact O-N 3.1Å
53	N	71.7	Confident	74.6	Confident	41 Å²	41	53.9 Å²	53.9	22%	0.219	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	142.1	-178	-49.5	-100.1	0	0	0	110.5	C43 F44 T46 N49	C43-N53 VanDerWaalsContact CA-O 3.29Å; C43-N53 WeakPolarHBondContact CA-O 3.4Å; F44-N53 HydrophobicContact CD2-CB 4.1Å; F44-N53 HydrophobicContact CE2-CB 3.95Å; F44-N53 HydrophobicContact CZ-CB 4.49Å; F44-N53 PolarHBondContact N-O 3.33Å; T46-N53 HydrophobicContact CG2-CB 3.77Å; T46-N53 VanDerWaalsContact CG2-CG 3.43Å; T46-N53 PolarHBondContact OG1-ND2 2.93Å; T46-N53 PolarHBondContact OG1-OD1 2.88Å; N49-N53 PolarHBondContact O-ND2 3.21Å; N49-N53 VanDerWaalsContact O-ND2 3.13Å
54	F	81.6	Confident	74.9	Confident	95 Å²	95	57.4 Å²	57.4	42%	0.417	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	164.4	177.7	62.7	-88.4	0	0	0	111.5	K41 V42 C43 F44 L56	K41-F54 HydrophobicContact CD-CD2 4.17Å; K41-F54 HydrophobicContact CD-CE2 4.42Å; K41-F54 HydrophobicContact CD-CG 4.34Å; K41-F54 VanDerWaalsContact CE-CD1 3.48Å; K41-F54 VanDerWaalsContact CE-CG 3.47Å; K41-F54 HydrophobicContact CG-CB 4.08Å; K41-F54 HydrophobicContact CG-CD2 3.71Å; K41-F54 HydrophobicContact CG-CE2 4.36Å; K41-F54 HydrophobicContact CG-CG 3.95Å; V42-F54 CarbonylContact O-C 3.55Å; V42-F54 WeakPolarHBondContact O-CA 3.47Å; V42-F54 WeakPolarHBondContact O-CB 3.25Å; C43-F54 HydrophobicContact CB-CB 4.45Å; F44-F54 VanDerWaalsContact CE1-C 3.41Å; F54-L56 HydrophobicContact CD2-CD2 4.05Å; F54-L56 HydrophobicContact CD2-CG 4.37Å; F54-L56 HydrophobicContact CE2-CD2 3.98Å; F54-L56 HydrophobicContact CE2-CG 4.16Å
55	K	81.2	Confident	75.4	Confident	44 Å²	44	57 Å²	57	19%	0.191	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.7	166.1	175.9	-179.3	177.6	-169.4	0	107.7	V42 F44 V57 S71 I72 S75	V42-K55 PolarHBondContact N-O 3.24Å; V42-K55 PolarHBondContact O-N 2.98Å; F44-K55 HydrophobicContact CE1-CB 3.82Å; K55-V57 HydrophobicContact CD-CG2 4.25Å; K55-V57 HydrophobicContact CG-CG2 4.18Å; K55-S71 PolarHBondContact NZ-O 2.95Å; K55-S71 PolarHBondContact NZ-OG 3.11Å; K55-I72 HydrophobicContact CD-CG1 4.22Å; K55-S75 VanDerWaalsContact NZ-CB 3.29Å; K55-S75 PolarHBondContact NZ-OG 3.27Å
56	L	83.3	Confident	76.4	Confident	100 Å²	100	58.4 Å²	58.4	52%	0.524	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	128.8	166	-60.1	-176.8	0	0	0	108.5	I39 L40 K41 F54	I39-L56 HydrophobicContact CG2-CB 3.8Å; I39-L56 HydrophobicContact CG2-CD1 4.37Å; I39-L56 HydrophobicContact CG2-CD2 4.29Å; I39-L56 HydrophobicContact CG2-CG 4.37Å; L40-L56 WeakPolarHBondContact O-CA 3.29Å; K41-L56 HydrophobicContact CB-CD2 3.88Å; K41-L56 HydrophobicContact CG-CD2 3.96Å; F54-L56 HydrophobicContact CD2-CD2 4.05Å; F54-L56 HydrophobicContact CD2-CG 4.37Å; F54-L56 HydrophobicContact CE2-CD2 3.98Å; F54-L56 HydrophobicContact CE2-CG 4.16Å
57	V	83.9	Confident	77.6	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.024	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	106.9	-179.9	-175.4	0	0	0	0	108.4	I39 L40 V42 K55 I68 I72	I39-V57 WeakPolarHBondContact CA-O 3.13Å; L40-V57 PolarHBondContact N-O 3.15Å; L40-V57 PolarHBondContact O-N 3.3Å; V42-V57 HydrophobicContact CG2-CG2 4.46Å; K55-V57 HydrophobicContact CD-CG2 4.25Å; K55-V57 HydrophobicContact CG-CG2 4.18Å; V57-I68 HydrophobicContact CG1-CD1 3.76Å; V57-I68 HydrophobicContact CG1-CG2 4.41Å; V57-I72 HydrophobicContact CG2-CD1 4.36Å; V57-I72 HydrophobicContact CG2-CG1 3.98Å
58	K	85.9	Confident	79.5	Confident	107 Å²	107	55.6 Å²	55.6	47%	0.465	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	130.5	169.5	-170.5	-175.3	-177.2	-169.3	0	109	V37 K38 I399	V37-K58 HydrophobicContact CG1-CD 4.13Å; V37-K58 HydrophobicContact CG1-CG 3.74Å; K38-K58 WeakPolarHBondContact O-CA 3.44Å; K58-I399 HydrophobicContact CD-CD1 3.44Å; K58-I399 VanDerWaalsContact CD-CD1 3.44Å; K58-I399 VanDerWaalsContact NZ-CD1 3.3Å
59	C	88.3	Confident	81.5	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.034	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	175.7	179.3	52.3	0	0	0	0	109.5	V37 K38 W63 I68	V37-C59 WeakPolarHBondContact CA-O 3.45Å; K38-C59 PolarHBondContact N-O 3.21Å; K38-C59 PolarHBondContact O-N 3.47Å; K38-C59 VanDerWaalsContact O-O 3.12Å; C59-W63 HydrophobicContact CB-CB 4.09Å; C59-W63 HydrophobicContact CB-CD2 3.55Å; C59-W63 HydrophobicContact CB-CE3 3.76Å; C59-W63 HydrophobicContact CB-CG 3.72Å; C59-W63 HydrophobicContact CB-CZ3 4.38Å; C59-I68 HydrophobicContact CB-CD1 3.79Å
60	D	89.3	Confident	83.3	Confident	33 Å²	33	53.4 Å²	53.4	18%	0.176	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	171.7	166.5	63.6	74.1	0	0	0	110.2	S62 W63	D60-S62 PolarHBondContact O-N 2.7Å; D60-S62 VanDerWaalsContact O-N 3.09Å; D60-S62 WeakPolarHBondContact OD1-CA 3.32Å; D60-S62 VanDerWaalsContact OD1-CB 3.23Å; D60-S62 WeakPolarHBondContact OD1-CB 3.49Å; D60-S62 PolarHBondContact OD1-N 3.28Å; D60-S62 PolarHBondContact OD1-OG 3.07Å; D60-W63 PolarHBondContact O-N 2.72Å; D60-W63 VanDerWaalsContact O-N 3.14Å; D60-W63 PolarHBondContact OD2-NE1 3.39Å
61	S	88.3	Confident	85	Confident	34 Å²	34	52.3 Å²	52.3	24%	0.238	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.3	-175.8	56.5	0	0	0	0	115	T108 G110	S61-T108 WeakPolarHBondContact O-CB 3.29Å; S61-G110 PolarHBondContact O-N 2.93Å
62	S	90.5	Very high	86.7	Confident	61 Å²	61	51.5 Å²	51.5	43%	0.427	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-18	178.1	79.5	0	0	0	0	113.7	D60 K64 T108	D60-S62 PolarHBondContact O-N 2.7Å; D60-S62 VanDerWaalsContact O-N 3.09Å; D60-S62 WeakPolarHBondContact OD1-CA 3.32Å; D60-S62 VanDerWaalsContact OD1-CB 3.23Å; D60-S62 WeakPolarHBondContact OD1-CB 3.49Å; D60-S62 PolarHBondContact OD1-N 3.28Å; D60-S62 PolarHBondContact OD1-OG 3.07Å; S62-K64 PolarHBondContact O-N 2.75Å; S62-T108 WeakPolarHBondContact O-CG2 3.29Å
63	W	93.2	Very high	87.8	Confident	84 Å²	84	45.1 Å²	45.1	32%	0.318	23%	0.225	S	C	.	.			trans	-61.5	128.8	-174.9	-80.9	44.7	0	0	0	111.5	C59 D60 A67 I68 T108 V109	C59-W63 HydrophobicContact CB-CB 4.09Å; C59-W63 HydrophobicContact CB-CD2 3.55Å; C59-W63 HydrophobicContact CB-CE3 3.76Å; C59-W63 HydrophobicContact CB-CG 3.72Å; C59-W63 HydrophobicContact CB-CZ3 4.38Å; D60-W63 PolarHBondContact O-N 2.72Å; D60-W63 VanDerWaalsContact O-N 3.14Å; D60-W63 PolarHBondContact OD2-NE1 3.39Å; W63-A67 HydrophobicContact CE3-CB 3.91Å; W63-A67 HydrophobicContact CZ3-CB 4.44Å; W63-I68 HydrophobicContact CE3-CD1 3.77Å; W63-I68 HydrophobicContact CZ3-CD1 4.42Å; W63-T108 CarbonylContact O-C 3.58Å; W63-T108 VanDerWaalsContact O-CA 3.26Å; W63-T108 WeakPolarHBondContact O-CA 3.16Å; W63-V109 HydrophobicContact CB-CG2 4.2Å; W63-V109 PolarHBondContact O-N 2.74Å
64	K	95	Very high	88.2	Confident	82 Å²	82	50 Å²	50	36%	0.357	25%	0.25	S	C	.	.	B	Isolated β-bridge	trans	-73.2	148.1	170.4	-75.1	-174.8	165.7	-172.6	0	111.7	S62 Q66 A67 I68 D106 L107 T108	S62-K64 PolarHBondContact O-N 2.75Å; K64-Q66 HydrophobicContact CB-CG 3.88Å; K64-Q66 PolarHBondContact O-N 3.48Å; K64-Q66 VanDerWaalsContact O-N 3.16Å; K64-A67 WeakPolarHBondContact O-CB 3.36Å; K64-A67 PolarHBondContact O-N 2.89Å; K64-I68 PolarHBondContact O-N 3.39Å; K64-D106 WeakPolarHBondContact CE-O 3.48Å; K64-D106 WeakPolarHBondContact CE-OD1 3.4Å; K64-D106 IonicContact NZ-OD1 3.01Å; K64-D106 PolarHBondContact NZ-OD1 3.45Å; K64-L107 CarbonylContact C-O 3.58Å; K64-L107 VanDerWaalsContact CA-O 3.27Å; K64-L107 WeakPolarHBondContact CA-O 3.49Å; K64-T108 HydrophobicContact CG-CG2 4.46Å
65	I	94.8	Very high	87.9	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-56.2	-32.9	176.5	-64.2	-58.7	0	0	0	112.4	A67 I68 I69 L90 L103 P105 L107 V112	I65-A67 VanDerWaalsContact C-N 3.27Å; I65-A67 PolarHBondContact O-N 3.34Å; I65-I68 WeakPolarHBondContact O-CB 3.45Å; I65-I68 PolarHBondContact O-N 3.15Å; I65-I69 HydrophobicContact CG2-CD1 4.06Å; I65-I69 HydrophobicContact CG2-CG1 4.46Å; I65-I69 WeakPolarHBondContact O-CG1 3.26Å; I65-I69 PolarHBondContact O-N 2.91Å; I65-L90 HydrophobicContact CD1-CD2 4.23Å; I65-L90 HydrophobicContact CG2-CB 3.88Å; I65-L90 HydrophobicContact CG2-CD2 3.91Å; I65-L103 HydrophobicContact CD1-CB 4.46Å; I65-L103 HydrophobicContact CD1-CD1 4.04Å; I65-L103 HydrophobicContact CG1-CB 4.13Å; I65-L103 HydrophobicContact CG2-CB 4.15Å; I65-P105 PolarHBondContact N-O 3.1Å; I65-L107 HydrophobicContact CG1-CB 4.19Å; I65-L107 WeakPolarHBondContact CG1-O 3.21Å; I65-L107 PolarHBondContact N-O 2.78Å; I65-V112 HydrophobicContact CD1-CG2 4.17Å; I65-V112 HydrophobicContact CG1-CG2 4.38Å
66	Q	93.1	Very high	87.2	Confident	48 Å²	48	47.7 Å²	47.7	22%	0.224	26%	0.257	C	S	.	.	H	α-helix	trans	-59.1	-32.9	171.5	60.6	173.7	-18.9	0	0	114.3	K64 R70 P105	K64-Q66 HydrophobicContact CB-CG 3.88Å; K64-Q66 PolarHBondContact O-N 3.48Å; K64-Q66 VanDerWaalsContact O-N 3.16Å; Q66-R70 WeakPolarHBondContact O-CB 3.34Å; Q66-R70 WeakPolarHBondContact O-CG 3.29Å; Q66-R70 PolarHBondContact O-N 3.22Å; Q66-R70 VanDerWaalsContact OE1-NH2 3.16Å; Q66-P105 HydrophobicContact CB-CB 3.97Å; Q66-P105 PolarHBondContact N-O 2.99Å
67	A	91.8	Very high	86.5	Confident	35 Å²	35	50.4 Å²	50.4	29%	0.289	26%	0.261	S	S	.	.	H	α-helix	trans	-71.8	-38.5	177.5	0	0	0	0	0	111.4	W63 K64 I65 R70 S71	W63-A67 HydrophobicContact CE3-CB 3.91Å; W63-A67 HydrophobicContact CZ3-CB 4.44Å; K64-A67 WeakPolarHBondContact O-CB 3.36Å; K64-A67 PolarHBondContact O-N 2.89Å; I65-A67 VanDerWaalsContact C-N 3.27Å; I65-A67 PolarHBondContact O-N 3.34Å; A67-R70 PolarHBondContact O-N 3.27Å; A67-S71 VanDerWaalsContact O-CB 3.26Å; A67-S71 WeakPolarHBondContact O-CB 3.43Å; A67-S71 PolarHBondContact O-N 2.93Å
68	I	92.3	Very high	85.7	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-48.4	172.5	-55.9	-62.9	0	0	0	110.4	L40 V42 V57 C59 W63 K64 I65 S71 I72 L90 V109	L40-I68 HydrophobicContact CD1-CD1 4.12Å; L40-I68 HydrophobicContact CD1-CG1 4.35Å; V42-I68 HydrophobicContact CG2-CG2 4.04Å; V57-I68 HydrophobicContact CG1-CD1 3.76Å; V57-I68 HydrophobicContact CG1-CG2 4.41Å; C59-I68 HydrophobicContact CB-CD1 3.79Å; W63-I68 HydrophobicContact CE3-CD1 3.77Å; W63-I68 HydrophobicContact CZ3-CD1 4.42Å; K64-I68 PolarHBondContact O-N 3.39Å; I65-I68 WeakPolarHBondContact O-CB 3.45Å; I65-I68 PolarHBondContact O-N 3.15Å; I68-S71 PolarHBondContact O-N 3.45Å; I68-I72 HydrophobicContact CG2-CD1 4.18Å; I68-I72 WeakPolarHBondContact O-CD1 3.47Å; I68-I72 WeakPolarHBondContact O-CG1 3.32Å; I68-I72 PolarHBondContact O-N 2.85Å; I68-L90 HydrophobicContact CG2-CD2 4.23Å; I68-V109 HydrophobicContact CD1-CG2 4.45Å; I68-V109 HydrophobicContact CG1-CG2 4.47Å
69	I	92.9	Very high	84.8	Confident	10 Å²	10	47.2 Å²	47.2	5%	0.051	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-53.4	177	-65.4	169.2	0	0	0	110.5	I65 S71 I72 L73 L90 L129	I65-I69 HydrophobicContact CG2-CD1 4.06Å; I65-I69 HydrophobicContact CG2-CG1 4.46Å; I65-I69 WeakPolarHBondContact O-CG1 3.26Å; I65-I69 PolarHBondContact O-N 2.91Å; I69-S71 VanDerWaalsContact C-N 3.31Å; I69-S71 PolarHBondContact O-N 3.14Å; I69-I72 PolarHBondContact O-N 2.66Å; I69-L73 HydrophobicContact CG2-CD1 4.03Å; I69-L73 HydrophobicContact CG2-CG 4.21Å; I69-L73 WeakPolarHBondContact O-CG 3.44Å; I69-L73 PolarHBondContact O-N 3.29Å; I69-L90 HydrophobicContact CD1-CB 4.16Å; I69-L90 HydrophobicContact CG1-CB 4.27Å; I69-L129 HydrophobicContact CG1-CD1 4.13Å; I69-L129 HydrophobicContact CG2-CD1 4.16Å
70	R	89.8	Confident	83.8	Confident	110 Å²	110	51.6 Å²	51.6	42%	0.415	28%	0.281	S	S	.	.	H	α-helix	trans	-56.4	-42.8	179.7	-71.8	169.3	-171.2	-164.3	-0.8	111.7	Q66 A67 I72 L73 I74 D357	Q66-R70 WeakPolarHBondContact O-CB 3.34Å; Q66-R70 WeakPolarHBondContact O-CG 3.29Å; Q66-R70 PolarHBondContact O-N 3.22Å; Q66-R70 VanDerWaalsContact OE1-NH2 3.16Å; A67-R70 PolarHBondContact O-N 3.27Å; R70-I72 VanDerWaalsContact C-N 3.33Å; R70-I72 PolarHBondContact O-N 3.43Å; R70-L73 PolarHBondContact O-N 3.43Å; R70-I74 WeakPolarHBondContact O-CB 3.05Å; R70-I74 VanDerWaalsContact O-CG1 3.28Å; R70-I74 WeakPolarHBondContact O-CG1 3.47Å; R70-I74 PolarHBondContact O-N 3.34Å; R70-D357 IonicContact CZ-OD2 2.71Å; R70-D357 IonicContact NH1-OD2 3.13Å; R70-D357 IonicContact NH2-OD1 2.66Å; R70-D357 IonicContact NH2-OD2 2.83Å; R70-D357 PolarHBondContact NH2-OD2 2.95Å
71	S	87.8	Confident	82.7	Confident	39 Å²	39	56.4 Å²	56.4	27%	0.273	31%	0.307	S	S	.	.	H	α-helix	trans	-59.9	-36.9	175.5	174.3	0	0	0	0	113.4	K55 A67 I68 I69 S75	K55-S71 PolarHBondContact NZ-O 2.95Å; K55-S71 PolarHBondContact NZ-OG 3.11Å; A67-S71 VanDerWaalsContact O-CB 3.26Å; A67-S71 WeakPolarHBondContact O-CB 3.43Å; A67-S71 PolarHBondContact O-N 2.93Å; I68-S71 PolarHBondContact O-N 3.45Å; I69-S71 VanDerWaalsContact C-N 3.31Å; I69-S71 PolarHBondContact O-N 3.14Å; S71-S75 WeakPolarHBondContact O-CB 3.33Å; S71-S75 PolarHBondContact O-OG 3.26Å
72	I	85.3	Confident	82.4	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-72.6	-49.3	176.6	-60.3	157.1	0	0	0	110.2	V42 K55 V57 I68 I69 R70 I74 S75 L78 L129	V42-I72 HydrophobicContact CB-CD1 3.7Å; V42-I72 HydrophobicContact CG1-CD1 3.51Å; V42-I72 HydrophobicContact CG2-CD1 4Å; K55-I72 HydrophobicContact CD-CG1 4.22Å; V57-I72 HydrophobicContact CG2-CD1 4.36Å; V57-I72 HydrophobicContact CG2-CG1 3.98Å; I68-I72 HydrophobicContact CG2-CD1 4.18Å; I68-I72 WeakPolarHBondContact O-CD1 3.47Å; I68-I72 WeakPolarHBondContact O-CG1 3.32Å; I68-I72 PolarHBondContact O-N 2.85Å; I69-I72 PolarHBondContact O-N 2.66Å; R70-I72 VanDerWaalsContact C-N 3.33Å; R70-I72 PolarHBondContact O-N 3.43Å; I72-I74 PolarHBondContact O-N 3.37Å; I72-S75 PolarHBondContact O-N 3.48Å; I72-S75 PolarHBondContact O-OG 3.03Å; I72-L78 HydrophobicContact CG2-CD1 4.3Å; I72-L129 HydrophobicContact CB-CD2 4.18Å; I72-L129 HydrophobicContact CD1-CD2 4.35Å; I72-L129 HydrophobicContact CG2-CD2 3.64Å
73	L	84.5	Confident	82.1	Confident	14 Å²	14	60 Å²	60	7%	0.073	32%	0.315	C	S	.	.	H	α-helix	trans	-58.1	-46.7	-178.4	-62.9	-174.8	0	0	0	112.4	I69 R70 S75 L78 V82 Y88 L129	I69-L73 HydrophobicContact CG2-CD1 4.03Å; I69-L73 HydrophobicContact CG2-CG 4.21Å; I69-L73 WeakPolarHBondContact O-CG 3.44Å; I69-L73 PolarHBondContact O-N 3.29Å; R70-L73 PolarHBondContact O-N 3.43Å; L73-S75 VanDerWaalsContact C-N 3.27Å; L73-S75 PolarHBondContact O-N 2.96Å; L73-L78 HydrophobicContact CD2-CD1 3.55Å; L73-V82 HydrophobicContact CD1-CG1 4.36Å; L73-V82 HydrophobicContact CD2-CG1 4.27Å; L73-Y88 HydrophobicContact CD1-CD2 4.18Å; L73-Y88 HydrophobicContact CD1-CG 4.44Å; L73-Y88 HydrophobicContact CD2-CD1 3.98Å; L73-Y88 HydrophobicContact CD2-CD2 4.07Å; L73-Y88 HydrophobicContact CD2-CE1 3.92Å; L73-Y88 HydrophobicContact CD2-CE2 4.02Å; L73-Y88 HydrophobicContact CD2-CG 4.04Å; L73-L129 HydrophobicContact CD2-CD2 4.38Å
74	I	80.1	Confident	81.9	Confident	145 Å²	145	57.9 Å²	57.9	74%	0.744	31%	0.31	S	S	*	.	H	α-helix	trans	-66.8	-28.1	-178.2	-67.4	167	0	0	0	111.8	R70 I72 G76	R70-I74 WeakPolarHBondContact O-CB 3.05Å; R70-I74 VanDerWaalsContact O-CG1 3.28Å; R70-I74 WeakPolarHBondContact O-CG1 3.47Å; R70-I74 PolarHBondContact O-N 3.34Å; I72-I74 PolarHBondContact O-N 3.37Å; I74-G76 PolarHBondContact O-N 3.4Å
75	S	75.2	Confident	81.7	Confident	48 Å²	48	56.5 Å²	56.5	34%	0.336	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	11.6	-174.5	65.1	0	0	0	0	116.2	K55 S71 I72 L73 R77	K55-S75 VanDerWaalsContact NZ-CB 3.29Å; K55-S75 PolarHBondContact NZ-OG 3.27Å; S71-S75 WeakPolarHBondContact O-CB 3.33Å; S71-S75 PolarHBondContact O-OG 3.26Å; I72-S75 PolarHBondContact O-N 3.48Å; I72-S75 PolarHBondContact O-OG 3.03Å; L73-S75 VanDerWaalsContact C-N 3.27Å; L73-S75 PolarHBondContact O-N 2.96Å; S75-R77 PolarHBondContact O-N 3.19Å
76	G	66.6	Low	81.5	Confident	42 Å²	42	59.2 Å²	59.2	43%	0.433	32%	0.323	S	S	.	.	S	Bend	trans	66.5	-11	172.2	0	0	0	0	0	116.6	I74 L78 G79	I74-G76 PolarHBondContact O-N 3.4Å; G76-L78 PolarHBondContact O-N 2.73Å; G76-G79 PolarHBondContact O-N 2.76Å
77	R	68.4	Low	81.6	Confident	157 Å²	157	57 Å²	57	59%	0.592	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-18.2	-177.6	-68	-65.1	-169.7	-161.2	-1.1	114.3	F44 S75 D457	F44-R77 HydrophobicContact CZ-CB 4.06Å; S75-R77 PolarHBondContact O-N 3.19Å; R77-D457 IonicContact NH1-OD1 3.81Å
78	L	67.8	Low	81.8	Confident	24 Å²	24	55.7 Å²	55.7	13%	0.126	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-12.3	175.5	-58.9	176.7	0	0	0	113.6	F44 I72 L73 G76 Y88 L129 Y151	F44-L78 HydrophobicContact CB-CD2 4Å; F44-L78 HydrophobicContact CD1-CD2 4.47Å; F44-L78 HydrophobicContact CD2-CD2 3.52Å; F44-L78 HydrophobicContact CE2-CD2 4.06Å; F44-L78 HydrophobicContact CG-CD2 3.77Å; I72-L78 HydrophobicContact CG2-CD1 4.3Å; L73-L78 HydrophobicContact CD2-CD1 3.55Å; G76-L78 PolarHBondContact O-N 2.73Å; L78-Y88 HydrophobicContact CD1-CE1 4.33Å; L78-L129 HydrophobicContact CD1-CD2 3.82Å; L78-Y151 HydrophobicContact CD2-CD2 3.94Å; L78-Y151 HydrophobicContact CD2-CE2 3.68Å
79	G	67.1	Low	82	Confident	20 Å²	20	55.7 Å²	55.7	21%	0.206	30%	0.3	C	S	.	.			trans	125.3	162.5	-168.1	0	0	0	0	0	112.1	G76	G76-G79 PolarHBondContact O-N 2.76Å
80	P	66.3	Low	82.2	Confident	96 Å²	96	55.2 Å²	55.2	62%	0.623	30%	0.298	S	S	*	.	S	Bend	trans	-75.2	162	176.5	33.2	-36	0	0	0	111.8	V82 S147	P80-V82 PolarHBondContact O-N 3.05Å; P80-S147 WeakPolarHBondContact O-CB 3.49Å; P80-S147 PolarHBondContact O-OG 3.16Å
81	N	67	Low	82.5	Confident	135 Å²	135	50.8 Å²	50.8	72%	0.722	28%	0.282	S	S	*	.			trans	53.7	48.5	166.3	-53	-0.3	0	0	0	114.8	E83	N81-E83 PolarHBondContact O-N 3.1Å
82	V	81.6	Confident	82.8	Confident	32 Å²	32	49 Å²	49	19%	0.194	27%	0.269	C	S	.	.			trans	-72.6	107.8	168.3	178.6	0	0	0	0	108.7	L73 P80 Y88	L73-V82 HydrophobicContact CD1-CG1 4.36Å; L73-V82 HydrophobicContact CD2-CG1 4.27Å; P80-V82 PolarHBondContact O-N 3.05Å; V82-Y88 HydrophobicContact CG1-CE2 3.97Å
83	E	84.8	Confident	83.1	Confident	137 Å²	137	53.3 Å²	53.3	64%	0.64	29%	0.288	S	S	*	.			trans	-93.4	-38.1	178.2	-65.7	179.9	175.8	0	0	110.6	N81 S85 D145	N81-E83 PolarHBondContact O-N 3.1Å; E83-S85 PolarHBondContact O-N 2.84Å; E83-D145 PolarHBondContact N-OD2 2.8Å
84	L	88.8	Confident	83.4	Confident	41 Å²	41	53 Å²	53	22%	0.215	29%	0.286	C	S	.	.			trans	-84.8	41.4	-170.6	-62.9	178.8	0	0	0	113.6	K86 C87 K141 F142 D145 T148	L84-K86 PolarHBondContact O-N 3.03Å; L84-K86 VanDerWaalsContact O-N 3.13Å; L84-C87 WeakPolarHBondContact O-CB 3.47Å; L84-C87 PolarHBondContact O-N 3.33Å; L84-K141 HydrophobicContact CD1-CB 4.2Å; L84-F142 HydrophobicContact CD1-CD1 3.42Å; L84-F142 VanDerWaalsContact CD1-CD1 3.42Å; L84-F142 HydrophobicContact CD1-CE1 3.89Å; L84-F142 HydrophobicContact CD1-CG 4.41Å; L84-D145 HydrophobicContact CD1-CB 4.02Å; L84-D145 HydrophobicContact CG-CB 4.08Å; L84-D145 PolarHBondContact N-OD2 2.97Å; L84-T148 HydrophobicContact CB-CG2 4.16Å; L84-T148 HydrophobicContact CD1-CG2 4.33Å
85	S	89.3	Confident	83.8	Confident	53 Å²	53	50.8 Å²	50.8	37%	0.371	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-50.3	-38.2	-178.3	57.9	0	0	0	0	114.1	E83 C87 Y88	E83-S85 PolarHBondContact O-N 2.84Å; S85-C87 PolarHBondContact O-N 2.96Å; S85-C87 VanDerWaalsContact O-N 3.1Å; S85-Y88 PolarHBondContact O-N 3.08Å; S85-Y88 VanDerWaalsContact O-N 3.15Å
86	K	91.4	Very high	84.3	Confident	58 Å²	58	55.7 Å²	55.7	25%	0.252	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-64	-9.4	177.1	-65.8	-171.6	178.4	-174.7	0	115.1	L84 Y133 L352 D355 T356 D357	L84-K86 PolarHBondContact O-N 3.03Å; L84-K86 VanDerWaalsContact O-N 3.13Å; K86-Y133 WeakPolarHBondContact O-CD2 3.43Å; K86-L352 HydrophobicContact CB-CD1 3.95Å; K86-D355 PolarHBondContact NZ-O 3.28Å; K86-D355 IonicContact NZ-OD1 2.69Å; K86-D355 PolarHBondContact NZ-OD1 2.84Å; K86-T356 PolarHBondContact NZ-O 3.15Å; K86-D357 WeakPolarHBondContact CE-OD1 3.41Å; K86-D357 IonicContact NZ-OD1 3.57Å; K86-D357 PolarHBondContact NZ-OD1 2.61Å
87	C	95.1	Very high	85.3	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.007	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-83	-13.9	175	-58	0	0	0	0	113.2	L84 S85 I131 R132 Y133	L84-C87 WeakPolarHBondContact O-CB 3.47Å; L84-C87 PolarHBondContact O-N 3.33Å; S85-C87 PolarHBondContact O-N 2.96Å; S85-C87 VanDerWaalsContact O-N 3.1Å; C87-I131 HydrophobicContact CB-CG2 4.34Å; C87-I131 WeakPolarHBondContact O-CA 3.47Å; C87-R132 PolarHBondContact O-N 3.17Å; C87-Y133 WeakPolarHBondContact CB-O 3.48Å; C87-Y133 PolarHBondContact O-N 2.99Å
88	Y	95.8	Very high	86	Confident	7 Å²	7	57.7 Å²	57.7	3%	0.027	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	141.6	-175.7	-71.1	-99.5	0	0	0	112.6	L73 L78 V82 S85 L129 R130 I131 T148 Y151	L73-Y88 HydrophobicContact CD1-CD2 4.18Å; L73-Y88 HydrophobicContact CD1-CG 4.44Å; L73-Y88 HydrophobicContact CD2-CD1 3.98Å; L73-Y88 HydrophobicContact CD2-CD2 4.07Å; L73-Y88 HydrophobicContact CD2-CE1 3.92Å; L73-Y88 HydrophobicContact CD2-CE2 4.02Å; L73-Y88 HydrophobicContact CD2-CG 4.04Å; L78-Y88 HydrophobicContact CD1-CE1 4.33Å; V82-Y88 HydrophobicContact CG1-CE2 3.97Å; S85-Y88 PolarHBondContact O-N 3.08Å; S85-Y88 VanDerWaalsContact O-N 3.15Å; Y88-L129 HydrophobicContact CD1-CD1 4.04Å; Y88-L129 HydrophobicContact CD1-CD2 4.3Å; Y88-L129 HydrophobicContact CD1-CG 4.05Å; Y88-R130 CarbonylContact C-O 3.51Å; Y88-R130 WeakPolarHBondContact CA-O 3.05Å; Y88-I131 HydrophobicContact CD1-CG1 3.93Å; Y88-I131 HydrophobicContact CD2-CG1 4.29Å; Y88-I131 HydrophobicContact CE1-CD1 4.21Å; Y88-I131 HydrophobicContact CE1-CG1 3.77Å; Y88-I131 HydrophobicContact CE2-CD1 4.35Å; Y88-I131 HydrophobicContact CE2-CG1 4.13Å; Y88-I131 HydrophobicContact CG-CG1 4.2Å; Y88-T148 HydrophobicContact CE2-CG2 4.38Å; Y88-Y151 AromaticContact CE1-CD1 3.63Å; Y88-Y151 HydrophobicContact CE1-CD1 3.63Å; Y88-Y151 AromaticContact CE1-CE1 3.9Å; Y88-Y151 HydrophobicContact CE1-CE1 3.9Å; Y88-Y151 HydrophobicContact CE1-CG 4.27Å
89	G	96.4	Very high	86.9	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	167.6	170.4	0	0	0	0	0	110.9	R130	G89-R130 PolarHBondContact N-O 2.88Å; G89-R130 PolarHBondContact O-N 2.69Å
90	L	96.8	Very high	88	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	121	-178.8	-169.4	61.2	0	0	0	110.2	V42 I65 I68 I69 L103 Y127 L129	V42-L90 HydrophobicContact CG1-CD1 3.6Å; V42-L90 HydrophobicContact CG2-CD1 4.48Å; I65-L90 HydrophobicContact CD1-CD2 4.23Å; I65-L90 HydrophobicContact CG2-CB 3.88Å; I65-L90 HydrophobicContact CG2-CD2 3.91Å; I68-L90 HydrophobicContact CG2-CD2 4.23Å; I69-L90 HydrophobicContact CD1-CB 4.16Å; I69-L90 HydrophobicContact CG1-CB 4.27Å; L90-L103 HydrophobicContact CD2-CD1 4.21Å; L90-L103 HydrophobicContact CG-CD1 4.37Å; L90-L103 PolarHBondContact O-N 2.86Å; L90-Y127 HydrophobicContact CD2-CD1 3.91Å; L90-Y127 HydrophobicContact CG-CD1 4.2Å; L90-L129 HydrophobicContact CD1-CB 4.39Å
91	L	95.8	Very high	89.4	Confident	18 Å²	18	58.1 Å²	58.1	9%	0.094	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	122.4	178.2	180	61.8	0	0	0	109.8	L100 W102 Y127 D128	L91-L100 HydrophobicContact CD1-CB 4.16Å; L91-L100 HydrophobicContact CD1-CD1 3.98Å; L91-W102 HydrophobicContact CB-CD2 4.27Å; L91-W102 HydrophobicContact CB-CE3 4Å; L91-W102 HydrophobicContact CB-CH2 4.37Å; L91-W102 HydrophobicContact CB-CZ3 4.05Å; L91-W102 HydrophobicContact CD1-CD2 3.86Å; L91-W102 HydrophobicContact CD1-CE3 4.43Å; L91-W102 HydrophobicContact CD1-CG 4Å; L91-Y127 CarbonylContact O-C 3.58Å; L91-Y127 WeakPolarHBondContact O-CA 3.4Å; L91-D128 PolarHBondContact N-O 2.97Å; L91-D128 PolarHBondContact O-N 3.41Å
92	L	94.9	Very high	90.8	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	127.2	165.3	-179.4	61.5	0	0	0	108.6	L100 H101 L103 V112 Y116 W125 Y127	L92-L100 CarbonylContact O-C 3.56Å; L92-L100 WeakPolarHBondContact O-CA 3.29Å; L92-H101 HydrophobicContact CB-CB 4.45Å; L92-H101 WeakPolarHBondContact CB-O 3.29Å; L92-H101 PolarHBondContact N-O 3.34Å; L92-H101 PolarHBondContact O-N 3.39Å; L92-L103 HydrophobicContact CB-CD1 3.97Å; L92-L103 HydrophobicContact CB-CD2 3.87Å; L92-L103 HydrophobicContact CB-CG 3.88Å; L92-L103 HydrophobicContact CD2-CD2 4.09Å; L92-V112 HydrophobicContact CD2-CG1 4.03Å; L92-Y116 HydrophobicContact CD2-CD2 4.17Å; L92-Y116 HydrophobicContact CD2-CG 4.09Å; L92-W125 HydrophobicContact CD1-CB 3.97Å; L92-W125 HydrophobicContact CD1-CD2 4.13Å; L92-W125 HydrophobicContact CD1-CE3 3.64Å; L92-W125 HydrophobicContact CD1-CG 4.29Å; L92-W125 HydrophobicContact CD1-CZ3 4.47Å; L92-W125 HydrophobicContact CD2-CE3 4.01Å; L92-W125 HydrophobicContact CD2-CZ3 4.16Å; L92-W125 HydrophobicContact CG-CD2 4.36Å; L92-W125 HydrophobicContact CG-CE3 3.55Å; L92-W125 HydrophobicContact CG-CZ3 3.89Å; L92-Y127 HydrophobicContact CD1-CD1 4.32Å; L92-Y127 HydrophobicContact CD1-CD2 4.15Å; L92-Y127 HydrophobicContact CD1-CE1 4.1Å; L92-Y127 HydrophobicContact CD1-CE2 3.87Å; L92-Y127 HydrophobicContact CD1-CG 4.36Å
93	K	91.6	Very high	91.5	Very high	91 Å²	91	51.4 Å²	51.4	40%	0.396	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	134	180	177.1	171	-179.6	175	0	111	R126	K93-R126 PolarHBondContact N-O 3.25Å; K93-R126 PolarHBondContact O-N 3.08Å
94	H	91.3	Very high	92	Very high	8 Å²	8	45.5 Å²	45.5	4%	0.037	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	132.5	169.3	-168.9	-176.7	0	0	0	109.4	S97 E99 H120 E124 W125	H94-S97 PolarHBondContact ND1-OG 2.94Å; H94-S97 VanDerWaalsContact ND1-OG 3.1Å; H94-E99 HydrophobicContact CB-CB 4.04Å; H94-E99 PolarHBondContact N-O 3.11Å; H94-E99 IonicContact ND1-OE2 3.52Å; H94-H120 AromaticContact CE1-CE1 3.34Å; H94-H120 PolarHBondContact CE1-CE1 3.48Å; H94-H120 AromaticContact CE1-ND1 3.55Å; H94-H120 AromaticContact CE1-NE2 3.73Å; H94-H120 AromaticContact NE2-CE1 3.94Å; H94-H120 AromaticContact NE2-ND1 3.71Å; H94-E124 PolarHBondContact CD2-O 3.14Å; H94-W125 HydrophobicContact CB-CE3 3.98Å; H94-W125 HydrophobicContact CB-CH2 3.95Å; H94-W125 HydrophobicContact CB-CZ3 3.63Å
95	L	87.2	Confident	92.2	Very high	98 Å²	98	44.3 Å²	44.3	51%	0.513	22%	0.219	S	C	.	.	S	Bend	trans	-81.1	-11.6	-175.8	-65.2	175.1	0	0	0	114.3	E124 R126	L95-E124 VanDerWaalsContact CB-O 3.25Å; L95-E124 WeakPolarHBondContact CB-O 3.39Å; L95-E124 VanDerWaalsContact CG-O 3.28Å; L95-E124 WeakPolarHBondContact CG-O 3.34Å; L95-E124 PolarHBondContact N-O 3.31Å; L95-R126 HydrophobicContact CD1-CB 4.41Å; L95-R126 HydrophobicContact CD2-CB 3.84Å; L95-R126 HydrophobicContact CG-CB 4.14Å
96	K	86.3	Confident	92.4	Very high	152 Å²	152	43.6 Å²	43.6	66%	0.661	21%	0.211	S	C	*	.	S	Bend	trans	-112.5	-2.3	-176	-63	-177.8	177.9	178.9	0	114.5	E124	K96-E124 HydrophobicContact CD-CG 4.33Å; K96-E124 WeakPolarHBondContact CD-OE1 3.22Å; K96-E124 VanDerWaalsContact CE-OE1 3.31Å; K96-E124 WeakPolarHBondContact CE-OE1 3.41Å; K96-E124 IonicContact NZ-OE1 3.89Å; K96-E124 PolarHBondContact NZ-OE1 3.48Å
97	S	87.1	Confident	92.5	Very high	51 Å²	51	41.1 Å²	41.1	36%	0.357	20%	0.201	S	C	.	.	S	Bend	trans	-140.5	-177.5	-179.5	75.3	0	0	0	0	110.7	H94 E99	H94-S97 PolarHBondContact ND1-OG 2.94Å; H94-S97 VanDerWaalsContact ND1-OG 3.1Å; S97-E99 WeakPolarHBondContact OG-CB 3.4Å; S97-E99 PolarHBondContact OG-N 3.47Å; S97-E99 VanDerWaalsContact OG-N 3.15Å
98	E	83.5	Confident	92.5	Very high	189 Å²	189	42.8 Å²	42.8	88%	0.883	21%	0.211	S	C	*	.	S	Bend	trans	-87.7	8.2	172.7	-57.6	-167.7	151.3	0	0	112.7
99	E	86.1	Confident	92.2	Very high	71 Å²	71	42.5 Å²	42.5	33%	0.332	21%	0.21	S	C	.	.			trans	-72.2	129.5	-176	-172.3	-179.8	179.8	0	0	112.7	H94 S97 H101 W125	H94-E99 HydrophobicContact CB-CB 4.04Å; H94-E99 PolarHBondContact N-O 3.11Å; H94-E99 IonicContact ND1-OE2 3.52Å; S97-E99 WeakPolarHBondContact OG-CB 3.4Å; S97-E99 PolarHBondContact OG-N 3.47Å; S97-E99 VanDerWaalsContact OG-N 3.15Å; E99-H101 WeakPolarHBondContact CG-NE2 3.46Å; E99-H101 IonicContact OE1-CD2 3.14Å; E99-H101 IonicContact OE1-CE1 2.83Å; E99-H101 IonicContact OE1-NE2 2.68Å; E99-H101 PolarHBondContact OE1-NE2 2.82Å; E99-W125 HydrophobicContact CG-CH2 4.47Å
100	L	91.8	Very high	91.9	Very high	73 Å²	73	43.6 Å²	43.6	38%	0.382	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	135.5	-178.7	70.1	95.7	0	0	0	111.1	L91 L92 N341	L91-L100 HydrophobicContact CD1-CB 4.16Å; L91-L100 HydrophobicContact CD1-CD1 3.98Å; L92-L100 CarbonylContact O-C 3.56Å; L92-L100 WeakPolarHBondContact O-CA 3.29Å; L100-N341 PolarHBondContact O-ND2 3.05Å
101	H	94.6	Very high	91.7	Very high	6 Å²	6	45.8 Å²	45.8	3%	0.028	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	118.9	-176.4	-55.8	-66.6	0	0	0	109.5	L92 E99 L103 Y116	L92-H101 HydrophobicContact CB-CB 4.45Å; L92-H101 WeakPolarHBondContact CB-O 3.29Å; L92-H101 PolarHBondContact N-O 3.34Å; L92-H101 PolarHBondContact O-N 3.39Å; E99-H101 WeakPolarHBondContact CG-NE2 3.46Å; E99-H101 IonicContact OE1-CD2 3.14Å; E99-H101 IonicContact OE1-CE1 2.83Å; E99-H101 IonicContact OE1-NE2 2.68Å; E99-H101 PolarHBondContact OE1-NE2 2.82Å; H101-L103 HydrophobicContact CB-CD2 4.47Å; H101-L103 PolarHBondContact O-N 3Å; H101-Y116 HydrophobicContact CB-CD1 4.32Å; H101-Y116 HydrophobicContact CB-CE1 4.16Å; H101-Y116 AromaticContact CD2-CD1 3.41Å; H101-Y116 VanDerWaalsContact CD2-CD1 3.41Å; H101-Y116 WeakPolarHBondContact CD2-CD1 3.49Å; H101-Y116 AromaticContact CD2-CE1 3.93Å; H101-Y116 AromaticContact CE1-CD1 3.87Å; H101-Y116 AromaticContact CE1-CE1 3.95Å; H101-Y116 AromaticContact CG-CD1 3.66Å; H101-Y116 AromaticContact CG-CE1 3.68Å; H101-Y116 AromaticContact ND1-CD1 3.97Å; H101-Y116 AromaticContact ND1-CE1 3.72Å; H101-Y116 AromaticContact NE2-CD1 3.55Å
102	W	96.8	Very high	91.4	Very high	25 Å²	25	45 Å²	45	10%	0.095	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	115.1	169.7	-76.4	99.6	0	0	0	109.5	L91 H104 R130 R132 N341	L91-W102 HydrophobicContact CB-CD2 4.27Å; L91-W102 HydrophobicContact CB-CE3 4Å; L91-W102 HydrophobicContact CB-CH2 4.37Å; L91-W102 HydrophobicContact CB-CZ3 4.05Å; L91-W102 HydrophobicContact CD1-CD2 3.86Å; L91-W102 HydrophobicContact CD1-CE3 4.43Å; L91-W102 HydrophobicContact CD1-CG 4Å; W102-H104 PolarHBondContact O-N 2.89Å; W102-R130 HydrophobicContact CH2-CB 3.63Å; W102-R130 HydrophobicContact CH2-CG 4.48Å; W102-R130 HydrophobicContact CZ3-CB 3.99Å; W102-R132 HydrophobicContact CD2-CG 4.48Å; W102-R132 VanDerWaalsContact CE2-NE 3.31Å; W102-R132 HydrophobicContact CE3-CG 4.47Å; W102-R132 VanDerWaalsContact CG-CZ 3.44Å; W102-R132 HydrophobicContact CH2-CB 3.72Å; W102-R132 HydrophobicContact CH2-CG 3.76Å; W102-R132 HydrophobicContact CZ2-CB 4.28Å; W102-R132 HydrophobicContact CZ2-CG 3.8Å; W102-R132 HydrophobicContact CZ3-CB 3.9Å; W102-R132 HydrophobicContact CZ3-CG 4.14Å; W102-N341 PolarHBondContact N-OD1 3.34Å
103	L	96.3	Very high	91.1	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	105.7	-174.3	-57	-176.5	0	0	0	109.7	I65 L90 L92 H101 V112 Y116 Y127	I65-L103 HydrophobicContact CD1-CB 4.46Å; I65-L103 HydrophobicContact CD1-CD1 4.04Å; I65-L103 HydrophobicContact CG1-CB 4.13Å; I65-L103 HydrophobicContact CG2-CB 4.15Å; L90-L103 HydrophobicContact CD2-CD1 4.21Å; L90-L103 HydrophobicContact CG-CD1 4.37Å; L90-L103 PolarHBondContact O-N 2.86Å; L92-L103 HydrophobicContact CB-CD1 3.97Å; L92-L103 HydrophobicContact CB-CD2 3.87Å; L92-L103 HydrophobicContact CB-CG 3.88Å; L92-L103 HydrophobicContact CD2-CD2 4.09Å; H101-L103 HydrophobicContact CB-CD2 4.47Å; H101-L103 PolarHBondContact O-N 3Å; L103-V112 HydrophobicContact CD1-CG1 3.91Å; L103-V112 HydrophobicContact CD1-CG2 4.16Å; L103-V112 HydrophobicContact CD2-CG1 4.01Å; L103-V112 HydrophobicContact CD2-CG2 3.98Å; L103-Y116 HydrophobicContact CD2-CD2 4.18Å; L103-Y116 HydrophobicContact CD2-CE2 4Å; L103-Y127 HydrophobicContact CD1-CD1 3.96Å; L103-Y127 HydrophobicContact CD1-CE1 3.57Å
104	H	95.3	Very high	90.9	Very high	13 Å²	13	50.7 Å²	50.7	6%	0.06	26%	0.255	C	S	.	.			trans	-56.2	135.5	179	-178.9	-95.9	0	0	0	111	W102 D106 L107 D344 D347 R351 S359 R363	W102-H104 PolarHBondContact O-N 2.89Å; H104-D106 WeakPolarHBondContact CE1-CB 3.38Å; H104-D106 IonicContact CE1-OD2 3.98Å; H104-D106 PolarHBondContact CE1-OD2 3.01Å; H104-D106 PolarHBondContact ND1-N 3.43Å; H104-D106 PolarHBondContact O-N 2.91Å; H104-L107 HydrophobicContact CB-CD1 4.22Å; H104-L107 HydrophobicContact CB-CG 4.23Å; H104-L107 WeakPolarHBondContact O-CB 3.48Å; H104-L107 PolarHBondContact O-N 2.9Å; H104-D344 IonicContact CD2-OD1 3.63Å; H104-D344 PolarHBondContact CD2-OD1 3.4Å; H104-D347 IonicContact CD2-OD2 2.71Å; H104-D347 IonicContact CE1-OD2 3Å; H104-D347 IonicContact NE2-OD1 3.11Å; H104-D347 CovalentContact NE2-OD2 1.79Å; H104-D347 IonicContact NE2-OD2 3.79Å; H104-D347 PolarHBondContact NE2-OD2 2.7Å; H104-R351 PolarHBondContact NE2-NH1 2.73Å; H104-S359 WeakPolarHBondContact CE1-CB 3.47Å; H104-S359 PolarHBondContact CE1-OG 3.31Å; H104-S359 VanDerWaalsContact CE1-OG 3.25Å; H104-S359 PolarHBondContact NE2-OG 3.27Å; H104-R363 PolarHBondContact ND1-NH2 3.4Å
105	P	93.9	Very high	90.7	Very high	15 Å²	15	54.8 Å²	54.8	10%	0.097	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-20.5	-167.8	-26	35.1	0	0	0	116.3	I65 Q66	I65-P105 PolarHBondContact N-O 3.1Å; Q66-P105 HydrophobicContact CB-CB 3.97Å; Q66-P105 PolarHBondContact N-O 2.99Å
106	D	92.9	Very high	90.7	Very high	39 Å²	39	51.1 Å²	51.1	21%	0.209	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-10.4	176.8	-78.9	-57.5	0	0	0	115.1	K64 H104	K64-D106 WeakPolarHBondContact CE-O 3.48Å; K64-D106 WeakPolarHBondContact CE-OD1 3.4Å; K64-D106 IonicContact NZ-OD1 3.01Å; K64-D106 PolarHBondContact NZ-OD1 3.45Å; H104-D106 WeakPolarHBondContact CE1-CB 3.38Å; H104-D106 IonicContact CE1-OD2 3.98Å; H104-D106 PolarHBondContact CE1-OD2 3.01Å; H104-D106 PolarHBondContact ND1-N 3.43Å; H104-D106 PolarHBondContact O-N 2.91Å
107	L	93.3	Very high	90.5	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.031	22%	0.221	C	C	.	.			trans	-61.6	142.2	172.2	-68.6	171.1	0	0	0	110	K64 I65 H104 E111 V112	K64-L107 CarbonylContact C-O 3.58Å; K64-L107 VanDerWaalsContact CA-O 3.27Å; K64-L107 WeakPolarHBondContact CA-O 3.49Å; I65-L107 HydrophobicContact CG1-CB 4.19Å; I65-L107 WeakPolarHBondContact CG1-O 3.21Å; I65-L107 PolarHBondContact N-O 2.78Å; H104-L107 HydrophobicContact CB-CD1 4.22Å; H104-L107 HydrophobicContact CB-CG 4.23Å; H104-L107 WeakPolarHBondContact O-CB 3.48Å; H104-L107 PolarHBondContact O-N 2.9Å; L107-E111 WeakPolarHBondContact CA-OE2 3.3Å; L107-E111 HydrophobicContact CD2-CB 4.24Å; L107-E111 WeakPolarHBondContact CD2-OE2 3.46Å; L107-V112 HydrophobicContact CB-CG2 4.14Å; L107-V112 HydrophobicContact CD1-CG2 4.25Å
108	T	94.3	Very high	90.1	Very high	36 Å²	36	45.5 Å²	45.5	22%	0.221	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-85.7	159.6	167.9	69.5	0	0	0	0	111.3	S61 S62 W63 K64 G110 E111 V112	S61-T108 WeakPolarHBondContact O-CB 3.29Å; S62-T108 WeakPolarHBondContact O-CG2 3.29Å; W63-T108 CarbonylContact O-C 3.58Å; W63-T108 VanDerWaalsContact O-CA 3.26Å; W63-T108 WeakPolarHBondContact O-CA 3.16Å; K64-T108 HydrophobicContact CG-CG2 4.46Å; T108-G110 VanDerWaalsContact C-N 3.26Å; T108-G110 PolarHBondContact O-N 2.67Å; T108-E111 PolarHBondContact N-OE2 3.25Å; T108-E111 WeakPolarHBondContact O-CB 3.38Å; T108-E111 PolarHBondContact O-N 2.94Å; T108-E111 VanDerWaalsContact O-N 3.14Å; T108-E111 PolarHBondContact OG1-N 3.14Å; T108-V112 PolarHBondContact O-N 3.02Å; T108-V112 VanDerWaalsContact O-N 3.13Å
109	V	90.8	Very high	89.6	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-55.3	-44.2	173.2	173.5	0	0	0	0	110.6	K38 L40 W63 I68 E111 V112 E113	K38-V109 HydrophobicContact CD-CG1 4.08Å; L40-V109 HydrophobicContact CD1-CG1 4.4Å; L40-V109 HydrophobicContact CD1-CG2 3.96Å; W63-V109 HydrophobicContact CB-CG2 4.2Å; W63-V109 PolarHBondContact O-N 2.74Å; I68-V109 HydrophobicContact CD1-CG2 4.45Å; I68-V109 HydrophobicContact CG1-CG2 4.47Å; V109-E111 VanDerWaalsContact C-N 3.34Å; V109-E111 PolarHBondContact O-N 3.26Å; V109-V112 WeakPolarHBondContact O-CB 3.48Å; V109-V112 PolarHBondContact O-N 2.9Å; V109-E113 HydrophobicContact CG1-CG 4.4Å; V109-E113 WeakPolarHBondContact O-CG 3.24Å; V109-E113 PolarHBondContact O-N 2.88Å
110	G	89.5	Confident	89.3	Confident	22 Å²	22	44 Å²	44	23%	0.227	22%	0.22	C	C	.	.	H	α-helix	trans	-63.3	-32.9	177.1	0	0	0	0	0	114.4	S61 T108 Q114	S61-G110 PolarHBondContact O-N 2.93Å; T108-G110 VanDerWaalsContact C-N 3.26Å; T108-G110 PolarHBondContact O-N 2.67Å; G110-Q114 WeakPolarHBondContact O-CB 3.46Å; G110-Q114 PolarHBondContact O-N 3.22Å
111	E	91.7	Very high	88.7	Confident	47 Å²	47	45 Å²	45	22%	0.22	23%	0.23	C	C	.	.	H	α-helix	trans	-65.9	-39.4	170.7	-77	-167.5	101.6	0	0	111.9	L107 T108 V109 Q114 R115 R363	L107-E111 WeakPolarHBondContact CA-OE2 3.3Å; L107-E111 HydrophobicContact CD2-CB 4.24Å; L107-E111 WeakPolarHBondContact CD2-OE2 3.46Å; T108-E111 PolarHBondContact N-OE2 3.25Å; T108-E111 WeakPolarHBondContact O-CB 3.38Å; T108-E111 PolarHBondContact O-N 2.94Å; T108-E111 VanDerWaalsContact O-N 3.14Å; T108-E111 PolarHBondContact OG1-N 3.14Å; V109-E111 VanDerWaalsContact C-N 3.34Å; V109-E111 PolarHBondContact O-N 3.26Å; E111-Q114 PolarHBondContact O-N 3.24Å; E111-R115 VanDerWaalsContact O-CB 3.28Å; E111-R115 WeakPolarHBondContact O-CB 3.47Å; E111-R115 WeakPolarHBondContact O-CD 3.38Å; E111-R115 WeakPolarHBondContact O-CG 3.49Å; E111-R115 PolarHBondContact O-N 3.37Å; E111-R115 IonicContact OE1-CZ 2.74Å; E111-R115 IonicContact OE1-NE 3.99Å; E111-R115 IonicContact OE1-NH2 3.79Å; E111-R115 PolarHBondContact OE1-NH2 3.47Å; E111-R363 IonicContact OE1-NH1 2.93Å; E111-R363 IonicContact OE2-NH1 2.66Å
112	V	91	Very high	87.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-68	-42.5	179.5	173.8	0	0	0	0	111	I65 L92 L103 L107 T108 V109 Y116 E117 Y127	I65-V112 HydrophobicContact CD1-CG2 4.17Å; I65-V112 HydrophobicContact CG1-CG2 4.38Å; L92-V112 HydrophobicContact CD2-CG1 4.03Å; L103-V112 HydrophobicContact CD1-CG1 3.91Å; L103-V112 HydrophobicContact CD1-CG2 4.16Å; L103-V112 HydrophobicContact CD2-CG1 4.01Å; L103-V112 HydrophobicContact CD2-CG2 3.98Å; L107-V112 HydrophobicContact CB-CG2 4.14Å; L107-V112 HydrophobicContact CD1-CG2 4.25Å; T108-V112 PolarHBondContact O-N 3.02Å; T108-V112 VanDerWaalsContact O-N 3.13Å; V109-V112 WeakPolarHBondContact O-CB 3.48Å; V109-V112 PolarHBondContact O-N 2.9Å; V112-Y116 HydrophobicContact CB-CD2 4.41Å; V112-Y116 HydrophobicContact CG1-CD2 4.05Å; V112-Y116 WeakPolarHBondContact O-CD2 3.44Å; V112-Y116 PolarHBondContact O-N 3.02Å; V112-E117 PolarHBondContact O-N 3.38Å; V112-Y127 HydrophobicContact CG1-CE1 4.42Å
113	E	87.9	Confident	86.9	Confident	61 Å²	61	52.6 Å²	52.6	29%	0.285	28%	0.281	S	S	.	.	H	α-helix	trans	-58.1	-51.3	172.7	-69.2	-177.1	115.1	0	0	111.7	K38 V109 R115 E117 S118	K38-E113 VanDerWaalsContact CD-OE1 3.27Å; K38-E113 WeakPolarHBondContact CD-OE1 3.35Å; K38-E113 WeakPolarHBondContact CE-OE1 3.31Å; K38-E113 VanDerWaalsContact NZ-CG 3.35Å; K38-E113 IonicContact NZ-OE1 3.48Å; K38-E113 PolarHBondContact NZ-OE1 2.96Å; V109-E113 HydrophobicContact CG1-CG 4.4Å; V109-E113 WeakPolarHBondContact O-CG 3.24Å; V109-E113 PolarHBondContact O-N 2.88Å; E113-R115 PolarHBondContact O-N 3.4Å; E113-E117 PolarHBondContact O-N 3.46Å; E113-S118 WeakPolarHBondContact O-CB 3.46Å; E113-S118 PolarHBondContact O-N 3.1Å
114	Q	88.1	Confident	86.4	Confident	150 Å²	150	54.1 Å²	54.1	70%	0.701	29%	0.288	S	S	*	.	H	α-helix	trans	-65.2	-38.7	-176.9	-172.7	178.8	48	0	0	112.7	G110 E111 S118	G110-Q114 WeakPolarHBondContact O-CB 3.46Å; G110-Q114 PolarHBondContact O-N 3.22Å; E111-Q114 PolarHBondContact O-N 3.24Å; Q114-S118 WeakPolarHBondContact O-CB 3.42Å; Q114-S118 PolarHBondContact O-OG 3.33Å
115	R	86.4	Confident	86	Confident	94 Å²	94	54.3 Å²	54.3	36%	0.355	29%	0.288	S	S	.	.	H	α-helix	trans	-81.5	-46	-174.8	-69.3	167.5	-174.8	-130.6	10.5	113.4	E111 E113 E340	E111-R115 VanDerWaalsContact O-CB 3.28Å; E111-R115 WeakPolarHBondContact O-CB 3.47Å; E111-R115 WeakPolarHBondContact O-CD 3.38Å; E111-R115 WeakPolarHBondContact O-CG 3.49Å; E111-R115 PolarHBondContact O-N 3.37Å; E111-R115 IonicContact OE1-CZ 2.74Å; E111-R115 IonicContact OE1-NE 3.99Å; E111-R115 IonicContact OE1-NH2 3.79Å; E111-R115 PolarHBondContact OE1-NH2 3.47Å; E113-R115 PolarHBondContact O-N 3.4Å; R115-E340 IonicContact NH1-OE1 2.71Å
116	Y	86.2	Confident	85.8	Confident	21 Å²	21	56.8 Å²	56.8	8%	0.082	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-47.7	-166	-49.1	-71.5	0	0	0	112.2	L92 H101 L103 V112 W125 E340	L92-Y116 HydrophobicContact CD2-CD2 4.17Å; L92-Y116 HydrophobicContact CD2-CG 4.09Å; H101-Y116 HydrophobicContact CB-CD1 4.32Å; H101-Y116 HydrophobicContact CB-CE1 4.16Å; H101-Y116 AromaticContact CD2-CD1 3.41Å; H101-Y116 VanDerWaalsContact CD2-CD1 3.41Å; H101-Y116 WeakPolarHBondContact CD2-CD1 3.49Å; H101-Y116 AromaticContact CD2-CE1 3.93Å; H101-Y116 AromaticContact CE1-CD1 3.87Å; H101-Y116 AromaticContact CE1-CE1 3.95Å; H101-Y116 AromaticContact CG-CD1 3.66Å; H101-Y116 AromaticContact CG-CE1 3.68Å; H101-Y116 AromaticContact ND1-CD1 3.97Å; H101-Y116 AromaticContact ND1-CE1 3.72Å; H101-Y116 AromaticContact NE2-CD1 3.55Å; L103-Y116 HydrophobicContact CD2-CD2 4.18Å; L103-Y116 HydrophobicContact CD2-CE2 4Å; V112-Y116 HydrophobicContact CB-CD2 4.41Å; V112-Y116 HydrophobicContact CG1-CD2 4.05Å; V112-Y116 WeakPolarHBondContact O-CD2 3.44Å; V112-Y116 PolarHBondContact O-N 3.02Å; Y116-W125 VanDerWaalsContact O-CZ2 3.26Å; Y116-W125 WeakPolarHBondContact O-CZ2 3.27Å; Y116-E340 PolarHBondContact OH-OE2 2.89Å
117	E	83.1	Confident	85.8	Confident	14 Å²	14	55.4 Å²	55.4	7%	0.065	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-76.2	-30.3	-175.1	-57.9	-171.2	162.3	0	0	113.4	K38 V112 E113 H119 H120 W125 Y127	K38-E117 IonicContact NZ-OE2 2.89Å; K38-E117 PolarHBondContact NZ-OE2 2.95Å; V112-E117 PolarHBondContact O-N 3.38Å; E113-E117 PolarHBondContact O-N 3.46Å; E117-H119 PolarHBondContact O-N 2.94Å; E117-H120 CarbonylContact O-C 3.58Å; E117-H120 PolarHBondContact O-N 3.37Å; E117-W125 HydrophobicContact CG-CG 4.36Å; E117-Y127 VanDerWaalsContact OE1-CE2 3.29Å; E117-Y127 WeakPolarHBondContact OE1-CE2 3.26Å; E117-Y127 VanDerWaalsContact OE1-CZ 3.31Å; E117-Y127 PolarHBondContact OE1-OH 2.92Å
118	S	79.4	Confident	85.8	Confident	72 Å²	72	56.3 Å²	56.3	50%	0.503	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-54.6	-18.2	-173.8	60.9	0	0	0	0	116.9	E113 Q114	E113-S118 WeakPolarHBondContact O-CB 3.46Å; E113-S118 PolarHBondContact O-N 3.1Å; Q114-S118 WeakPolarHBondContact O-CB 3.42Å; Q114-S118 PolarHBondContact O-OG 3.33Å
119	H	72.4	Confident	85.9	Confident	148 Å²	148	54.6 Å²	54.6	69%	0.685	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-98.2	-6.2	179.7	-60.2	91.7	0	0	0	113.7	E117	E117-H119 PolarHBondContact O-N 2.94Å
120	H	80.4	Confident	86.1	Confident	80 Å²	80	56.9 Å²	56.9	37%	0.37	29%	0.29	S	S	.	.	S	Bend	trans	-140.1	172.3	-167.1	-85.4	-74.9	0	0	0	111.7	H94 E117 E124 W125	H94-H120 AromaticContact CE1-CE1 3.34Å; H94-H120 PolarHBondContact CE1-CE1 3.48Å; H94-H120 AromaticContact CE1-ND1 3.55Å; H94-H120 AromaticContact CE1-NE2 3.73Å; H94-H120 AromaticContact NE2-CE1 3.94Å; H94-H120 AromaticContact NE2-ND1 3.71Å; E117-H120 CarbonylContact O-C 3.58Å; E117-H120 PolarHBondContact O-N 3.37Å; H120-E124 IonicContact CG-OE2 2.63Å; H120-E124 IonicContact ND1-OE2 3.55Å; H120-E124 PolarHBondContact ND1-OE2 3.26Å; H120-W125 HydrophobicContact CB-CZ2 4.35Å; H120-W125 VanDerWaalsContact CB-NE1 3.34Å
121	V	78	Confident	86.4	Confident	95 Å²	95	56 Å²	56	58%	0.576	28%	0.28	S	S	*	.			trans	-87.7	136.2	174	-177.9	0	0	0	0	109	A123 E124	V121-A123 HydrophobicContact CG1-CB 4.4Å; V121-A123 PolarHBondContact O-N 2.91Å; V121-A123 VanDerWaalsContact O-N 3.08Å; V121-E124 HydrophobicContact CB-CG 4.11Å; V121-E124 PolarHBondContact N-OE2 3.22Å; V121-E124 WeakPolarHBondContact O-CA 3Å; V121-E124 VanDerWaalsContact O-CB 3.26Å; V121-E124 WeakPolarHBondContact O-CB 3.48Å; V121-E124 PolarHBondContact O-N 2.9Å
122	E	75.2	Confident	86.6	Confident	103 Å²	103	54 Å²	54	48%	0.481	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-50.4	-37.9	-178.8	-173.8	179.5	-157.4	0	0	113.2	K38 E124 W125	K38-E122 WeakPolarHBondContact CE-OE1 3.44Å; K38-E122 IonicContact NZ-OE1 3.4Å; E122-E124 PolarHBondContact O-N 3.2Å; E122-E124 VanDerWaalsContact O-N 3.16Å; E122-W125 WeakPolarHBondContact O-CB 3.49Å; E122-W125 PolarHBondContact O-N 3.2Å
123	A	78.2	Confident	86.9	Confident	86 Å²	86	54 Å²	54	71%	0.711	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-67.9	-7.9	176.6	0	0	0	0	0	115.2	V121	V121-A123 HydrophobicContact CG1-CB 4.4Å; V121-A123 PolarHBondContact O-N 2.91Å; V121-A123 VanDerWaalsContact O-N 3.08Å
124	E	86.4	Confident	87.3	Confident	33 Å²	33	51.6 Å²	51.6	15%	0.154	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-86.5	-14.5	170.4	-56.1	-178.2	140.4	0	0	111.9	H94 L95 K96 H120 V121 E122	H94-E124 PolarHBondContact CD2-O 3.14Å; L95-E124 VanDerWaalsContact CB-O 3.25Å; L95-E124 WeakPolarHBondContact CB-O 3.39Å; L95-E124 VanDerWaalsContact CG-O 3.28Å; L95-E124 WeakPolarHBondContact CG-O 3.34Å; L95-E124 PolarHBondContact N-O 3.31Å; K96-E124 HydrophobicContact CD-CG 4.33Å; K96-E124 WeakPolarHBondContact CD-OE1 3.22Å; K96-E124 VanDerWaalsContact CE-OE1 3.31Å; K96-E124 WeakPolarHBondContact CE-OE1 3.41Å; K96-E124 IonicContact NZ-OE1 3.89Å; K96-E124 PolarHBondContact NZ-OE1 3.48Å; H120-E124 IonicContact CG-OE2 2.63Å; H120-E124 IonicContact ND1-OE2 3.55Å; H120-E124 PolarHBondContact ND1-OE2 3.26Å; V121-E124 HydrophobicContact CB-CG 4.11Å; V121-E124 PolarHBondContact N-OE2 3.22Å; V121-E124 WeakPolarHBondContact O-CA 3Å; V121-E124 VanDerWaalsContact O-CB 3.26Å; V121-E124 WeakPolarHBondContact O-CB 3.48Å; V121-E124 PolarHBondContact O-N 2.9Å; E122-E124 PolarHBondContact O-N 3.2Å; E122-E124 VanDerWaalsContact O-N 3.16Å
125	W	87.6	Confident	87.4	Confident	17 Å²	17	45 Å²	45	6%	0.064	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	155.7	-179.9	-67.9	102.2	0	0	0	112.8	L92 H94 E99 Y116 E117 H120 E122	L92-W125 HydrophobicContact CD1-CB 3.97Å; L92-W125 HydrophobicContact CD1-CD2 4.13Å; L92-W125 HydrophobicContact CD1-CE3 3.64Å; L92-W125 HydrophobicContact CD1-CG 4.29Å; L92-W125 HydrophobicContact CD1-CZ3 4.47Å; L92-W125 HydrophobicContact CD2-CE3 4.01Å; L92-W125 HydrophobicContact CD2-CZ3 4.16Å; L92-W125 HydrophobicContact CG-CD2 4.36Å; L92-W125 HydrophobicContact CG-CE3 3.55Å; L92-W125 HydrophobicContact CG-CZ3 3.89Å; H94-W125 HydrophobicContact CB-CE3 3.98Å; H94-W125 HydrophobicContact CB-CH2 3.95Å; H94-W125 HydrophobicContact CB-CZ3 3.63Å; E99-W125 HydrophobicContact CG-CH2 4.47Å; Y116-W125 VanDerWaalsContact O-CZ2 3.26Å; Y116-W125 WeakPolarHBondContact O-CZ2 3.27Å; E117-W125 HydrophobicContact CG-CG 4.36Å; H120-W125 HydrophobicContact CB-CZ2 4.35Å; H120-W125 VanDerWaalsContact CB-NE1 3.34Å; E122-W125 WeakPolarHBondContact O-CB 3.49Å; E122-W125 PolarHBondContact O-N 3.2Å
126	R	89.9	Confident	87.4	Confident	67 Å²	67	44.3 Å²	44.3	25%	0.253	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	127.1	176.4	176.8	175.7	168.1	115	9.1	110.4	C43 G51 K93 L95 D128	C43-R126 VanDerWaalsContact CB-NH2 3.33Å; G51-R126 PolarHBondContact O-NH1 3.28Å; G51-R126 PolarHBondContact O-NH2 3.44Å; K93-R126 PolarHBondContact N-O 3.25Å; K93-R126 PolarHBondContact O-N 3.08Å; L95-R126 HydrophobicContact CD1-CB 4.41Å; L95-R126 HydrophobicContact CD2-CB 3.84Å; L95-R126 HydrophobicContact CG-CB 4.14Å; R126-D128 WeakPolarHBondContact CD-OD2 3.41Å; R126-D128 IonicContact CZ-OD1 3.01Å; R126-D128 VanDerWaalsContact CZ-OD1 3.31Å; R126-D128 IonicContact CZ-OD2 2.77Å; R126-D128 VanDerWaalsContact NE-CG 3.28Å; R126-D128 IonicContact NE-OD1 3.88Å; R126-D128 PolarHBondContact NE-OD1 3.19Å; R126-D128 VanDerWaalsContact NE-OD1 3.08Å; R126-D128 IonicContact NE-OD2 3.35Å; R126-D128 PolarHBondContact NE-OD2 3.07Å; R126-D128 IonicContact NH2-OD1 3.73Å; R126-D128 PolarHBondContact NH2-OD1 2.93Å; R126-D128 IonicContact NH2-OD2 3.34Å
127	Y	92.8	Very high	87.4	Confident	10 Å²	10	47.4 Å²	47.4	4%	0.039	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.3	170.1	-66.7	-99.9	0	0	0	109.2	L40 C43 L90 L91 L92 L103 V112 E117	L40-Y127 HydrophobicContact CD2-CE2 3.98Å; C43-Y127 WeakPolarHBondContact CB-O 3.41Å; C43-Y127 PolarHBondContact N-O 3.14Å; L90-Y127 HydrophobicContact CD2-CD1 3.91Å; L90-Y127 HydrophobicContact CG-CD1 4.2Å; L91-Y127 CarbonylContact O-C 3.58Å; L91-Y127 WeakPolarHBondContact O-CA 3.4Å; L92-Y127 HydrophobicContact CD1-CD1 4.32Å; L92-Y127 HydrophobicContact CD1-CD2 4.15Å; L92-Y127 HydrophobicContact CD1-CE1 4.1Å; L92-Y127 HydrophobicContact CD1-CE2 3.87Å; L92-Y127 HydrophobicContact CD1-CG 4.36Å; L103-Y127 HydrophobicContact CD1-CD1 3.96Å; L103-Y127 HydrophobicContact CD1-CE1 3.57Å; V112-Y127 HydrophobicContact CG1-CE1 4.42Å; E117-Y127 VanDerWaalsContact OE1-CE2 3.29Å; E117-Y127 WeakPolarHBondContact OE1-CE2 3.26Å; E117-Y127 VanDerWaalsContact OE1-CZ 3.31Å; E117-Y127 PolarHBondContact OE1-OH 2.92Å
128	D	93.2	Very high	87.8	Confident	25 Å²	25	47.4 Å²	47.4	13%	0.134	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.3	172.7	-80.2	-60.6	0	0	0	109.8	C43 L91 R126 R130	C43-D128 VanDerWaalsContact CB-OD1 3.29Å; C43-D128 WeakPolarHBondContact CB-OD1 3.3Å; L91-D128 PolarHBondContact N-O 2.97Å; L91-D128 PolarHBondContact O-N 3.41Å; R126-D128 WeakPolarHBondContact CD-OD2 3.41Å; R126-D128 IonicContact CZ-OD1 3.01Å; R126-D128 VanDerWaalsContact CZ-OD1 3.31Å; R126-D128 IonicContact CZ-OD2 2.77Å; R126-D128 VanDerWaalsContact NE-CG 3.28Å; R126-D128 IonicContact NE-OD1 3.88Å; R126-D128 PolarHBondContact NE-OD1 3.19Å; R126-D128 VanDerWaalsContact NE-OD1 3.08Å; R126-D128 IonicContact NE-OD2 3.35Å; R126-D128 PolarHBondContact NE-OD2 3.07Å; R126-D128 IonicContact NH2-OD1 3.73Å; R126-D128 PolarHBondContact NH2-OD1 2.93Å; R126-D128 IonicContact NH2-OD2 3.34Å; D128-R130 HydrophobicContact CB-CG 4.27Å
129	L	95.1	Very high	88.4	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	126.7	171	176.7	67.5	0	0	0	109.2	V42 C43 I69 I72 L73 L78 Y88 L90 Y151	V42-L129 HydrophobicContact CG1-CB 3.91Å; C43-L129 PolarHBondContact O-N 3.47Å; I69-L129 HydrophobicContact CG1-CD1 4.13Å; I69-L129 HydrophobicContact CG2-CD1 4.16Å; I72-L129 HydrophobicContact CB-CD2 4.18Å; I72-L129 HydrophobicContact CD1-CD2 4.35Å; I72-L129 HydrophobicContact CG2-CD2 3.64Å; L73-L129 HydrophobicContact CD2-CD2 4.38Å; L78-L129 HydrophobicContact CD1-CD2 3.82Å; Y88-L129 HydrophobicContact CD1-CD1 4.04Å; Y88-L129 HydrophobicContact CD1-CD2 4.3Å; Y88-L129 HydrophobicContact CD1-CG 4.05Å; L90-L129 HydrophobicContact CD1-CB 4.39Å; L129-Y151 PolarHBondContact O-OH 3.05Å
130	R	95.4	Very high	89.2	Confident	48 Å²	48	45.8 Å²	45.8	18%	0.181	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	152	-173.6	-67.6	-176.5	65.4	99.4	1.2	111.7	Y88 G89 W102 D128 Q155 D159	Y88-R130 CarbonylContact C-O 3.51Å; Y88-R130 WeakPolarHBondContact CA-O 3.05Å; G89-R130 PolarHBondContact N-O 2.88Å; G89-R130 PolarHBondContact O-N 2.69Å; W102-R130 HydrophobicContact CH2-CB 3.63Å; W102-R130 HydrophobicContact CH2-CG 4.48Å; W102-R130 HydrophobicContact CZ3-CB 3.99Å; D128-R130 HydrophobicContact CB-CG 4.27Å; R130-Q155 VanDerWaalsContact CA-OE1 3.26Å; R130-D159 IonicContact CZ-OD1 3.84Å; R130-D159 IonicContact CZ-OD2 2.87Å; R130-D159 IonicContact NH1-OD1 2.78Å; R130-D159 PolarHBondContact NH1-OD1 3.34Å; R130-D159 IonicContact NH1-OD2 3.61Å; R130-D159 IonicContact NH2-OD1 3.22Å; R130-D159 PolarHBondContact NH2-OD1 3.04Å; R130-D159 IonicContact NH2-OD2 2.79Å; R130-D159 PolarHBondContact NH2-OD2 2.76Å
131	I	96.2	Very high	89.6	Confident	3 Å²	3	47 Å²	47	2%	0.015	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	128.3	164.2	-71.9	166.5	0	0	0	107.5	C87 Y88 I134 F142 T148 Y151 F152 Q155	C87-I131 HydrophobicContact CB-CG2 4.34Å; C87-I131 WeakPolarHBondContact O-CA 3.47Å; Y88-I131 HydrophobicContact CD1-CG1 3.93Å; Y88-I131 HydrophobicContact CD2-CG1 4.29Å; Y88-I131 HydrophobicContact CE1-CD1 4.21Å; Y88-I131 HydrophobicContact CE1-CG1 3.77Å; Y88-I131 HydrophobicContact CE2-CD1 4.35Å; Y88-I131 HydrophobicContact CE2-CG1 4.13Å; Y88-I131 HydrophobicContact CG-CG1 4.2Å; I131-I134 HydrophobicContact CG2-CG1 4.04Å; I131-F142 HydrophobicContact CD1-CE2 4.46Å; I131-F142 HydrophobicContact CG2-CE2 4.36Å; I131-F142 HydrophobicContact CG2-CZ 4.16Å; I131-T148 HydrophobicContact CD1-CG2 3.71Å; I131-Y151 HydrophobicContact CD1-CD1 3.83Å; I131-Y151 HydrophobicContact CG1-CD1 4.07Å; I131-F152 HydrophobicContact CB-CD2 3.98Å; I131-F152 HydrophobicContact CD1-CB 3.75Å; I131-F152 HydrophobicContact CD1-CD2 4.33Å; I131-F152 HydrophobicContact CD1-CG 4.45Å; I131-F152 HydrophobicContact CG2-CD2 3.73Å; I131-F152 HydrophobicContact CG2-CE2 4.12Å; I131-Q155 PolarHBondContact O-NE2 2.86Å
132	R	96.6	Very high	90.2	Very high	6 Å²	6	42.5 Å²	42.5	2%	0.023	22%	0.217	C	C	.	.			trans	-124.1	-45.3	-178.3	-163.1	-174.4	-168.7	-162.4	-2.1	112.7	C87 W102 I134 E261 N341 D344 L345	C87-R132 PolarHBondContact O-N 3.17Å; W102-R132 HydrophobicContact CD2-CG 4.48Å; W102-R132 VanDerWaalsContact CE2-NE 3.31Å; W102-R132 HydrophobicContact CE3-CG 4.47Å; W102-R132 VanDerWaalsContact CG-CZ 3.44Å; W102-R132 HydrophobicContact CH2-CB 3.72Å; W102-R132 HydrophobicContact CH2-CG 3.76Å; W102-R132 HydrophobicContact CZ2-CB 4.28Å; W102-R132 HydrophobicContact CZ2-CG 3.8Å; W102-R132 HydrophobicContact CZ3-CB 3.9Å; W102-R132 HydrophobicContact CZ3-CG 4.14Å; R132-I134 PolarHBondContact O-N 2.97Å; R132-E261 WeakPolarHBondContact CG-OE1 3.49Å; R132-E261 IonicContact CZ-OE1 3.48Å; R132-E261 IonicContact CZ-OE2 3.86Å; R132-E261 IonicContact NE-OE1 3.41Å; R132-E261 PolarHBondContact NE-OE1 2.94Å; R132-E261 IonicContact NE-OE2 2.77Å; R132-E261 IonicContact NH2-OE1 2.52Å; R132-E261 PolarHBondContact NH2-OE1 3.43Å; R132-E261 IonicContact NH2-OE2 2.77Å; R132-E261 PolarHBondContact NH2-OE2 3.19Å; R132-N341 PolarHBondContact NH1-O 3.49Å; R132-N341 PolarHBondContact NH2-O 2.84Å; R132-D344 IonicContact CZ-OD2 3.96Å; R132-D344 IonicContact NH1-OD2 3.16Å; R132-D344 PolarHBondContact NH1-OD2 3.04Å; R132-L345 HydrophobicContact CG-CD1 3.88Å
133	Y	95.9	Very high	90.7	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	22%	0.22	C	C	.	.			trans	-92.6	101.6	-172.9	-35.5	-70.4	0	0	0	108.6	K86 C87 D344 L345 R351 L352	K86-Y133 WeakPolarHBondContact O-CD2 3.43Å; C87-Y133 WeakPolarHBondContact CB-O 3.48Å; C87-Y133 PolarHBondContact O-N 2.99Å; Y133-D344 WeakPolarHBondContact CE1-O 3.44Å; Y133-D344 PolarHBondContact OH-OD1 2.96Å; Y133-D344 PolarHBondContact OH-OD2 3.45Å; Y133-L345 HydrophobicContact CD1-CD1 4.32Å; Y133-R351 PolarHBondContact OH-NH2 3.49Å; Y133-L352 WeakPolarHBondContact O-CD2 3.42Å
134	I	95.9	Very high	91	Very high	10 Å²	10	45.8 Å²	45.8	5%	0.051	22%	0.22	C	C	.	.			trans	-110.2	111.8	-164.4	-62.3	158.6	0	0	0	110	I131 R132 F138 F152 F258 D259 Y349	I131-I134 HydrophobicContact CG2-CG1 4.04Å; R132-I134 PolarHBondContact O-N 2.97Å; I134-F138 HydrophobicContact CG2-CB 3.73Å; I134-F138 HydrophobicContact CG2-CD1 3.79Å; I134-F138 HydrophobicContact CG2-CG 3.75Å; I134-F152 HydrophobicContact CD1-CE2 3.6Å; I134-F152 HydrophobicContact CD1-CZ 3.62Å; I134-F152 HydrophobicContact CG1-CE2 4.07Å; I134-F152 HydrophobicContact CG1-CZ 4.16Å; I134-F152 HydrophobicContact CG2-CZ 4.47Å; I134-F258 WeakPolarHBondContact CD1-O 3.42Å; I134-D259 HydrophobicContact CG2-CB 4.26Å; I134-Y349 PolarHBondContact N-OH 3.32Å; I134-Y349 WeakPolarHBondContact O-CE1 3.43Å; I134-Y349 PolarHBondContact O-OH 3Å
135	P	91.6	Very high	91	Very high	11 Å²	11	44.3 Å²	44.3	7%	0.071	21%	0.213	C	C	.	.			trans	-59.9	151.7	-178.7	-24.1	32.6	0	0	0	113.9	N137 F138 K141 F142 L352	P135-N137 VanDerWaalsContact C-N 3.25Å; P135-N137 PolarHBondContact O-N 3Å; P135-N137 VanDerWaalsContact O-N 3.16Å; P135-F138 WeakPolarHBondContact O-CB 3.25Å; P135-F138 PolarHBondContact O-N 2.79Å; P135-K141 HydrophobicContact CB-CD 3.82Å; P135-K141 HydrophobicContact CG-CD 3.9Å; P135-F142 HydrophobicContact CG-CE1 4.35Å; P135-L352 HydrophobicContact CG-CD2 4.17Å
136	V	85.8	Confident	90.8	Very high	80 Å²	80	48.6 Å²	48.6	49%	0.485	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-47	176	-176.7	0	0	0	0	112.4	G281 R282	V136-G281 VanDerWaalsContact CG2-C 3.48Å; V136-G281 WeakPolarHBondContact CG2-O 3.41Å; V136-R282 HydrophobicContact CG1-CG 4.2Å; V136-R282 HydrophobicContact CG2-CG 4.38Å
137	N	86.2	Confident	90.6	Very high	86 Å²	86	46 Å²	46	46%	0.46	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	45.7	177.2	-65.7	24.9	0	0	0	111.4	P135 L139 E140 K141	P135-N137 VanDerWaalsContact C-N 3.25Å; P135-N137 PolarHBondContact O-N 3Å; P135-N137 VanDerWaalsContact O-N 3.16Å; N137-L139 PolarHBondContact O-N 2.83Å; N137-E140 HydrophobicContact CB-CB 4.39Å; N137-E140 HydrophobicContact CB-CG 4.47Å; N137-E140 WeakPolarHBondContact CB-OE2 3.45Å; N137-E140 PolarHBondContact ND2-OE2 2.87Å; N137-E140 PolarHBondContact O-N 2.99Å; N137-K141 PolarHBondContact O-N 2.76Å; N137-K141 VanDerWaalsContact O-N 3.12Å
138	F	91.8	Very high	90.5	Very high	14 Å²	14	45.6 Å²	45.6	6%	0.061	22%	0.22	C	C	.	.	H	α-helix	trans	-55.2	-35.4	-177.1	76.9	-85.6	0	0	0	112.9	I134 P135 E140 K141 F142 F152 F258	I134-F138 HydrophobicContact CG2-CB 3.73Å; I134-F138 HydrophobicContact CG2-CD1 3.79Å; I134-F138 HydrophobicContact CG2-CG 3.75Å; P135-F138 WeakPolarHBondContact O-CB 3.25Å; P135-F138 PolarHBondContact O-N 2.79Å; F138-E140 VanDerWaalsContact C-N 3.26Å; F138-E140 PolarHBondContact O-N 2.88Å; F138-K141 PolarHBondContact O-N 2.91Å; F138-F142 HydrophobicContact CB-CD1 4.26Å; F138-F142 HydrophobicContact CB-CD2 4.38Å; F138-F142 HydrophobicContact CB-CE1 4.15Å; F138-F142 HydrophobicContact CB-CE2 4.25Å; F138-F142 HydrophobicContact CB-CG 4.4Å; F138-F142 HydrophobicContact CB-CZ 4.15Å; F138-F142 AromaticContact CD2-CD2 3.99Å; F138-F142 HydrophobicContact CD2-CD2 3.99Å; F138-F142 HydrophobicContact CD2-CE2 4.16Å; F138-F142 WeakPolarHBondContact O-CB 3.35Å; F138-F142 VanDerWaalsContact O-CG 3.29Å; F138-F142 WeakPolarHBondContact O-CG 3.35Å; F138-F142 PolarHBondContact O-N 2.92Å; F138-F152 HydrophobicContact CD2-CD1 4.07Å; F138-F152 AromaticContact CD2-CE1 3.86Å; F138-F152 HydrophobicContact CD2-CE1 3.86Å; F138-F152 AromaticContact CE2-CD1 3.97Å; F138-F152 HydrophobicContact CE2-CD1 3.97Å; F138-F152 AromaticContact CE2-CE1 3.6Å; F138-F152 HydrophobicContact CE2-CE1 3.6Å; F138-F152 HydrophobicContact CZ-CE1 4.23Å; F138-F258 AromaticContact CZ-CE2 3.87Å; F138-F258 HydrophobicContact CZ-CE2 3.87Å
139	L	91.9	Very high	90.5	Very high	58 Å²	58	44.5 Å²	44.5	30%	0.304	21%	0.214	S	C	.	.	H	α-helix	trans	-60.7	-32.5	177.2	-69.4	177.3	0	0	0	113.3	N137 K143 F149 F249	N137-L139 PolarHBondContact O-N 2.83Å; L139-K143 VanDerWaalsContact O-CB 3.23Å; L139-K143 WeakPolarHBondContact O-CB 3.47Å; L139-K143 PolarHBondContact O-N 2.88Å; L139-F149 HydrophobicContact CD2-CE2 3.97Å; L139-F149 HydrophobicContact CD2-CZ 4.38Å; L139-F249 HydrophobicContact CD2-CD2 3.94Å
140	E	89.2	Confident	90.2	Very high	128 Å²	128	46 Å²	46	60%	0.598	22%	0.222	S	C	*	.	H	α-helix	trans	-81.5	-46.5	176.9	-61.9	-176.6	135.7	0	0	110.9	N137 F138 K143	N137-E140 HydrophobicContact CB-CB 4.39Å; N137-E140 HydrophobicContact CB-CG 4.47Å; N137-E140 WeakPolarHBondContact CB-OE2 3.45Å; N137-E140 PolarHBondContact ND2-OE2 2.87Å; N137-E140 PolarHBondContact O-N 2.99Å; F138-E140 VanDerWaalsContact C-N 3.26Å; F138-E140 PolarHBondContact O-N 2.88Å; E140-K143 PolarHBondContact O-N 2.78Å
141	K	88.4	Confident	89.9	Confident	105 Å²	105	44 Å²	44	46%	0.457	21%	0.214	S	C	.	.	H	α-helix	trans	-64	-49.1	179.8	-69.4	-167.5	176.8	-170.6	0	112	L84 P135 N137 F138 K143 N144	L84-K141 HydrophobicContact CD1-CB 4.2Å; P135-K141 HydrophobicContact CB-CD 3.82Å; P135-K141 HydrophobicContact CG-CD 3.9Å; N137-K141 PolarHBondContact O-N 2.76Å; N137-K141 VanDerWaalsContact O-N 3.12Å; F138-K141 PolarHBondContact O-N 2.91Å; K141-K143 VanDerWaalsContact C-N 3.29Å; K141-K143 PolarHBondContact O-N 2.88Å; K141-N144 PolarHBondContact O-N 2.92Å
142	F	90.9	Very high	89.8	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-68.9	-28.7	-177.6	-67.4	11.1	0	0	0	110.8	L84 I131 P135 F138 N144 D145 T148 F149 F152	L84-F142 HydrophobicContact CD1-CD1 3.42Å; L84-F142 VanDerWaalsContact CD1-CD1 3.42Å; L84-F142 HydrophobicContact CD1-CE1 3.89Å; L84-F142 HydrophobicContact CD1-CG 4.41Å; I131-F142 HydrophobicContact CD1-CE2 4.46Å; I131-F142 HydrophobicContact CG2-CE2 4.36Å; I131-F142 HydrophobicContact CG2-CZ 4.16Å; P135-F142 HydrophobicContact CG-CE1 4.35Å; F138-F142 HydrophobicContact CB-CD1 4.26Å; F138-F142 HydrophobicContact CB-CD2 4.38Å; F138-F142 HydrophobicContact CB-CE1 4.15Å; F138-F142 HydrophobicContact CB-CE2 4.25Å; F138-F142 HydrophobicContact CB-CG 4.4Å; F138-F142 HydrophobicContact CB-CZ 4.15Å; F138-F142 AromaticContact CD2-CD2 3.99Å; F138-F142 HydrophobicContact CD2-CD2 3.99Å; F138-F142 HydrophobicContact CD2-CE2 4.16Å; F138-F142 WeakPolarHBondContact O-CB 3.35Å; F138-F142 VanDerWaalsContact O-CG 3.29Å; F138-F142 WeakPolarHBondContact O-CG 3.35Å; F138-F142 PolarHBondContact O-N 2.92Å; F142-N144 PolarHBondContact O-N 2.85Å; F142-N144 VanDerWaalsContact O-N 3.12Å; F142-D145 CarbonylContact O-C 3.55Å; F142-D145 WeakPolarHBondContact O-CA 3.41Å; F142-D145 PolarHBondContact O-N 2.91Å; F142-T148 HydrophobicContact CD1-CG2 3.95Å; F142-T148 HydrophobicContact CD2-CG2 4.02Å; F142-T148 HydrophobicContact CE1-CG2 3.95Å; F142-T148 HydrophobicContact CE2-CG2 4.04Å; F142-T148 HydrophobicContact CG-CG2 3.97Å; F142-T148 HydrophobicContact CZ-CG2 4Å; F142-F149 HydrophobicContact CB-CB 3.88Å; F142-F149 HydrophobicContact CB-CD2 3.75Å; F142-F149 HydrophobicContact CB-CG 4.13Å; F142-F149 HydrophobicContact CD2-CD2 4.42Å; F142-F149 WeakPolarHBondContact O-CB 3.46Å; F142-F152 HydrophobicContact CD2-CB 4.04Å; F142-F152 HydrophobicContact CD2-CD1 4.1Å; F142-F152 HydrophobicContact CD2-CG 4.24Å; F142-F152 HydrophobicContact CE2-CB 3.82Å; F142-F152 AromaticContact CE2-CD1 3.79Å; F142-F152 HydrophobicContact CE2-CD1 3.79Å; F142-F152 HydrophobicContact CE2-CD2 4.34Å; F142-F152 HydrophobicContact CE2-CE1 4.47Å; F142-F152 AromaticContact CE2-CG 3.72Å; F142-F152 HydrophobicContact CE2-CG 3.72Å
143	K	84.9	Confident	89.7	Confident	127 Å²	127	43.6 Å²	43.6	55%	0.552	21%	0.213	S	C	*	.	H	α-helix	trans	-60.8	-23.9	176.3	-177.5	177.2	176.9	-171.5	0	113.6	L139 E140 K141	L139-K143 VanDerWaalsContact O-CB 3.23Å; L139-K143 WeakPolarHBondContact O-CB 3.47Å; L139-K143 PolarHBondContact O-N 2.88Å; E140-K143 PolarHBondContact O-N 2.78Å; K141-K143 VanDerWaalsContact C-N 3.29Å; K141-K143 PolarHBondContact O-N 2.88Å
144	N	85.4	Confident	89.4	Confident	131 Å²	131	44.2 Å²	44.2	70%	0.701	22%	0.216	S	C	*	.	H	α-helix	trans	-76.6	-45.7	171.9	-59.4	-20.1	0	0	0	110.9	K141 F142 R146	K141-N144 PolarHBondContact O-N 2.92Å; F142-N144 PolarHBondContact O-N 2.85Å; F142-N144 VanDerWaalsContact O-N 3.12Å; N144-R146 PolarHBondContact O-N 3.48Å
145	D	86.7	Confident	89.3	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.011	22%	0.215	C	C	.	.	S	Bend	trans	-89.6	81.7	173.3	-176.3	-18.1	0	0	0	111.4	E83 L84 F142 S147 T148 F149	E83-D145 PolarHBondContact N-OD2 2.8Å; L84-D145 HydrophobicContact CD1-CB 4.02Å; L84-D145 HydrophobicContact CG-CB 4.08Å; L84-D145 PolarHBondContact N-OD2 2.97Å; F142-D145 CarbonylContact O-C 3.55Å; F142-D145 WeakPolarHBondContact O-CA 3.41Å; F142-D145 PolarHBondContact O-N 2.91Å; D145-S147 PolarHBondContact O-N 3.37Å; D145-S147 VanDerWaalsContact O-N 3.07Å; D145-S147 PolarHBondContact OD1-N 3.08Å; D145-T148 PolarHBondContact O-N 2.84Å; D145-T148 WeakPolarHBondContact OD1-CB 3.48Å; D145-T148 PolarHBondContact OD1-N 3.18Å; D145-T148 PolarHBondContact OD1-OG1 3.35Å; D145-T148 WeakPolarHBondContact OD2-CB 3.25Å; D145-T148 PolarHBondContact OD2-OG1 2.7Å; D145-F149 PolarHBondContact O-N 2.79Å
146	R	83.9	Confident	89.4	Confident	107 Å²	107	43.9 Å²	43.9	40%	0.404	21%	0.213	S	C	.	.	H	α-helix	trans	-53.2	-32.2	-178.2	-171.1	179.4	-168.2	77.1	6.8	113.3	N144 L150 E241 D242	N144-R146 PolarHBondContact O-N 3.48Å; R146-L150 WeakPolarHBondContact O-CB 3.44Å; R146-L150 PolarHBondContact O-N 3Å; R146-E241 IonicContact CZ-OE2 3.69Å; R146-E241 IonicContact NH2-OE2 3.79Å; R146-E241 PolarHBondContact NH2-OE2 3.13Å; R146-D242 IonicContact CZ-OD1 3.74Å; R146-D242 VanDerWaalsContact CZ-OD1 3.26Å; R146-D242 IonicContact CZ-OD2 3.69Å; R146-D242 IonicContact NH1-OD1 3.78Å; R146-D242 PolarHBondContact NH1-OD1 3.24Å; R146-D242 IonicContact NH1-OD2 3.5Å; R146-D242 PolarHBondContact NH1-OD2 2.91Å; R146-D242 IonicContact NH2-OD1 2.79Å; R146-D242 PolarHBondContact NH2-OD1 2.81Å
147	S	85.2	Confident	89.8	Confident	14 Å²	14	40.6 Å²	40.6	10%	0.098	19%	0.192	C	C	.	.	H	α-helix	trans	-72	-49.2	-178.7	-64.9	0	0	0	0	110.7	P80 D145 F149 L150 Y151	P80-S147 WeakPolarHBondContact O-CB 3.49Å; P80-S147 PolarHBondContact O-OG 3.16Å; D145-S147 PolarHBondContact O-N 3.37Å; D145-S147 VanDerWaalsContact O-N 3.07Å; D145-S147 PolarHBondContact OD1-N 3.08Å; S147-F149 VanDerWaalsContact C-N 3.3Å; S147-F149 PolarHBondContact O-N 3.46Å; S147-L150 PolarHBondContact O-N 3.14Å; S147-Y151 VanDerWaalsContact O-CB 3.32Å; S147-Y151 WeakPolarHBondContact O-CB 3.22Å; S147-Y151 PolarHBondContact O-N 3.07Å
148	T	90.6	Very high	89.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-58.3	-40.7	171.1	-66.5	0	0	0	0	111.6	L84 Y88 I131 F142 D145 Y151 F152	L84-T148 HydrophobicContact CB-CG2 4.16Å; L84-T148 HydrophobicContact CD1-CG2 4.33Å; Y88-T148 HydrophobicContact CE2-CG2 4.38Å; I131-T148 HydrophobicContact CD1-CG2 3.71Å; F142-T148 HydrophobicContact CD1-CG2 3.95Å; F142-T148 HydrophobicContact CD2-CG2 4.02Å; F142-T148 HydrophobicContact CE1-CG2 3.95Å; F142-T148 HydrophobicContact CE2-CG2 4.04Å; F142-T148 HydrophobicContact CG-CG2 3.97Å; F142-T148 HydrophobicContact CZ-CG2 4Å; D145-T148 PolarHBondContact O-N 2.84Å; D145-T148 WeakPolarHBondContact OD1-CB 3.48Å; D145-T148 PolarHBondContact OD1-N 3.18Å; D145-T148 PolarHBondContact OD1-OG1 3.35Å; D145-T148 WeakPolarHBondContact OD2-CB 3.25Å; D145-T148 PolarHBondContact OD2-OG1 2.7Å; T148-Y151 PolarHBondContact O-N 3.15Å; T148-F152 WeakPolarHBondContact O-CB 3.31Å; T148-F152 PolarHBondContact O-N 3.28Å
149	F	92.3	Very high	89.9	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.009	18%	0.179	C	C	.	.	H	α-helix	trans	-64.5	-47.4	179.6	-167.2	-142.8	0	0	0	113.3	L139 F142 D145 S147 Y151 F152 Y153 M245 I246 F249	L139-F149 HydrophobicContact CD2-CE2 3.97Å; L139-F149 HydrophobicContact CD2-CZ 4.38Å; F142-F149 HydrophobicContact CB-CB 3.88Å; F142-F149 HydrophobicContact CB-CD2 3.75Å; F142-F149 HydrophobicContact CB-CG 4.13Å; F142-F149 HydrophobicContact CD2-CD2 4.42Å; F142-F149 WeakPolarHBondContact O-CB 3.46Å; D145-F149 PolarHBondContact O-N 2.79Å; S147-F149 VanDerWaalsContact C-N 3.3Å; S147-F149 PolarHBondContact O-N 3.46Å; F149-Y151 VanDerWaalsContact C-N 3.34Å; F149-F152 PolarHBondContact O-N 3.48Å; F149-Y153 WeakPolarHBondContact O-CB 3.3Å; F149-Y153 PolarHBondContact O-N 3.02Å; F149-M245 HydrophobicContact CD1-CE 3.6Å; F149-M245 HydrophobicContact CE1-CB 4.22Å; F149-M245 HydrophobicContact CE1-CE 3.69Å; F149-M245 HydrophobicContact CG-CE 4.45Å; F149-M245 HydrophobicContact CZ-CB 4.1Å; F149-I246 HydrophobicContact CZ-CG1 3.9Å; F149-F249 HydrophobicContact CD2-CE2 4.29Å; F149-F249 HydrophobicContact CE2-CD2 4.19Å; F149-F249 AromaticContact CE2-CE2 3.58Å; F149-F249 HydrophobicContact CE2-CE2 3.58Å; F149-F249 HydrophobicContact CZ-CE2 4.2Å
150	L	88.9	Confident	90	Very high	34 Å²	34	35.3 Å²	35.3	18%	0.178	17%	0.165	C	C	.	.	H	α-helix	trans	-67.6	-36.1	177.5	180	60.8	0	0	0	111.4	R146 S147 Y153 Q154 M245	R146-L150 WeakPolarHBondContact O-CB 3.44Å; R146-L150 PolarHBondContact O-N 3Å; S147-L150 PolarHBondContact O-N 3.14Å; L150-Y153 HydrophobicContact CD1-CD1 4.47Å; L150-Y153 PolarHBondContact O-N 3.16Å; L150-Q154 HydrophobicContact CD1-CG 4.38Å; L150-Q154 VanDerWaalsContact O-CG 3.29Å; L150-Q154 WeakPolarHBondContact O-CG 3.46Å; L150-Q154 PolarHBondContact O-N 2.96Å; L150-M245 HydrophobicContact CD1-SD 3.73Å
151	Y	89.8	Confident	90	Very high	5 Å²	5	31.3 Å²	31.3	2%	0.02	15%	0.147	C	C	.	.	H	α-helix	trans	-63.1	-48.9	175.1	-165.7	-100.2	0	0	0	111.6	F44 C45 L78 Y88 L129 I131 S147 T148 F149 Y153 Q154 Q155	F44-Y151 WeakPolarHBondContact CA-OH 3.31Å; F44-Y151 HydrophobicContact CB-CE2 3.96Å; F44-Y151 WeakPolarHBondContact CB-OH 3.35Å; C45-Y151 HydrophobicContact CB-CD2 4.49Å; C45-Y151 HydrophobicContact CB-CE2 3.88Å; C45-Y151 PolarHBondContact N-OH 3.5Å; C45-Y151 VanDerWaalsContact N-OH 3.13Å; C45-Y151 VanDerWaalsContact O-CE2 3.28Å; C45-Y151 WeakPolarHBondContact O-CE2 3.36Å; L78-Y151 HydrophobicContact CD2-CD2 3.94Å; L78-Y151 HydrophobicContact CD2-CE2 3.68Å; Y88-Y151 AromaticContact CE1-CD1 3.63Å; Y88-Y151 HydrophobicContact CE1-CD1 3.63Å; Y88-Y151 AromaticContact CE1-CE1 3.9Å; Y88-Y151 HydrophobicContact CE1-CE1 3.9Å; Y88-Y151 HydrophobicContact CE1-CG 4.27Å; L129-Y151 PolarHBondContact O-OH 3.05Å; I131-Y151 HydrophobicContact CD1-CD1 3.83Å; I131-Y151 HydrophobicContact CG1-CD1 4.07Å; S147-Y151 VanDerWaalsContact O-CB 3.32Å; S147-Y151 WeakPolarHBondContact O-CB 3.22Å; S147-Y151 PolarHBondContact O-N 3.07Å; T148-Y151 PolarHBondContact O-N 3.15Å; F149-Y151 VanDerWaalsContact C-N 3.34Å; Y151-Y153 VanDerWaalsContact C-N 3.32Å; Y151-Y153 PolarHBondContact O-N 3.42Å; Y151-Q154 PolarHBondContact O-N 2.98Å; Y151-Q155 PolarHBondContact O-N 3.27Å
152	F	94.7	Very high	89.9	Confident	1 Å²	1	32.3 Å²	32.3	0%	0.004	15%	0.153	C	C	.	.	H	α-helix	trans	-61	-41.4	177.3	-170.6	-123.6	0	0	0	112	I131 I134 F138 F142 T148 F149 Q154 Q155 V156 F249 F258	I131-F152 HydrophobicContact CB-CD2 3.98Å; I131-F152 HydrophobicContact CD1-CB 3.75Å; I131-F152 HydrophobicContact CD1-CD2 4.33Å; I131-F152 HydrophobicContact CD1-CG 4.45Å; I131-F152 HydrophobicContact CG2-CD2 3.73Å; I131-F152 HydrophobicContact CG2-CE2 4.12Å; I134-F152 HydrophobicContact CD1-CE2 3.6Å; I134-F152 HydrophobicContact CD1-CZ 3.62Å; I134-F152 HydrophobicContact CG1-CE2 4.07Å; I134-F152 HydrophobicContact CG1-CZ 4.16Å; I134-F152 HydrophobicContact CG2-CZ 4.47Å; F138-F152 HydrophobicContact CD2-CD1 4.07Å; F138-F152 AromaticContact CD2-CE1 3.86Å; F138-F152 HydrophobicContact CD2-CE1 3.86Å; F138-F152 AromaticContact CE2-CD1 3.97Å; F138-F152 HydrophobicContact CE2-CD1 3.97Å; F138-F152 AromaticContact CE2-CE1 3.6Å; F138-F152 HydrophobicContact CE2-CE1 3.6Å; F138-F152 HydrophobicContact CZ-CE1 4.23Å; F142-F152 HydrophobicContact CD2-CB 4.04Å; F142-F152 HydrophobicContact CD2-CD1 4.1Å; F142-F152 HydrophobicContact CD2-CG 4.24Å; F142-F152 HydrophobicContact CE2-CB 3.82Å; F142-F152 AromaticContact CE2-CD1 3.79Å; F142-F152 HydrophobicContact CE2-CD1 3.79Å; F142-F152 HydrophobicContact CE2-CD2 4.34Å; F142-F152 HydrophobicContact CE2-CE1 4.47Å; F142-F152 AromaticContact CE2-CG 3.72Å; F142-F152 HydrophobicContact CE2-CG 3.72Å; T148-F152 WeakPolarHBondContact O-CB 3.31Å; T148-F152 PolarHBondContact O-N 3.28Å; F149-F152 PolarHBondContact O-N 3.48Å; F152-Q154 PolarHBondContact O-N 2.9Å; F152-Q155 PolarHBondContact O-N 3.06Å; F152-V156 HydrophobicContact CD1-CG2 4.46Å; F152-V156 HydrophobicContact CD2-CG2 4.12Å; F152-V156 HydrophobicContact CE1-CG2 4.09Å; F152-V156 HydrophobicContact CE2-CG2 3.72Å; F152-V156 HydrophobicContact CG-CG2 4.47Å; F152-V156 HydrophobicContact CZ-CG2 3.7Å; F152-V156 WeakPolarHBondContact O-CG2 3.43Å; F152-V156 PolarHBondContact O-N 3.24Å; F152-F249 AromaticContact CD1-CE1 3.73Å; F152-F249 HydrophobicContact CD1-CE1 3.73Å; F152-F249 AromaticContact CD1-CZ 3.54Å; F152-F249 HydrophobicContact CD1-CZ 3.54Å; F152-F249 AromaticContact CE1-CE1 3.76Å; F152-F249 HydrophobicContact CE1-CE1 3.76Å; F152-F249 HydrophobicContact CE1-CZ 4.04Å; F152-F249 HydrophobicContact CG-CZ 4.41Å; F152-F258 HydrophobicContact CE1-CD2 4.06Å; F152-F258 HydrophobicContact CE1-CE2 4.26Å; F152-F258 AromaticContact CZ-CD2 3.91Å; F152-F258 HydrophobicContact CZ-CD2 3.91Å
153	Y	94.1	Very high	89.8	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58.2	-47.2	174.2	174.4	-96.9	0	0	0	112.4	F149 L150 Y151 V156 R157 E180 R183 M245 F248 F249	F149-Y153 WeakPolarHBondContact O-CB 3.3Å; F149-Y153 PolarHBondContact O-N 3.02Å; L150-Y153 HydrophobicContact CD1-CD1 4.47Å; L150-Y153 PolarHBondContact O-N 3.16Å; Y151-Y153 VanDerWaalsContact C-N 3.32Å; Y151-Y153 PolarHBondContact O-N 3.42Å; Y153-V156 PolarHBondContact O-N 2.83Å; Y153-R157 HydrophobicContact CE1-CB 4.49Å; Y153-R157 VanDerWaalsContact O-CB 3.28Å; Y153-R157 WeakPolarHBondContact O-CB 3.41Å; Y153-R157 PolarHBondContact O-N 3.38Å; Y153-E180 WeakPolarHBondContact CE1-OE2 3.5Å; Y153-E180 PolarHBondContact OH-OE2 2.96Å; Y153-R183 VanDerWaalsContact CE1-CD 3.45Å; Y153-M245 HydrophobicContact CD1-CG 3.93Å; Y153-M245 HydrophobicContact CD1-SD 3.88Å; Y153-M245 HydrophobicContact CD2-CB 3.67Å; Y153-M245 HydrophobicContact CD2-CG 3.52Å; Y153-M245 HydrophobicContact CD2-SD 4.22Å; Y153-M245 HydrophobicContact CE1-CG 4.33Å; Y153-M245 HydrophobicContact CE2-CB 4.21Å; Y153-M245 HydrophobicContact CE2-CG 3.94Å; Y153-M245 HydrophobicContact CG-CB 4.07Å; Y153-M245 HydrophobicContact CG-CG 3.52Å; Y153-M245 HydrophobicContact CG-SD 3.6Å; Y153-M245 VanDerWaalsContact CG-SD 3.6Å; Y153-F248 HydrophobicContact CD2-CD1 4.27Å; Y153-F248 HydrophobicContact CD2-CG 4.49Å; Y153-F248 HydrophobicContact CE2-CB 3.7Å; Y153-F248 AromaticContact CE2-CD1 3.64Å; Y153-F248 HydrophobicContact CE2-CD1 3.64Å; Y153-F248 AromaticContact CE2-CD2 3.97Å; Y153-F248 HydrophobicContact CE2-CD2 3.97Å; Y153-F248 HydrophobicContact CE2-CE1 4.21Å; Y153-F248 HydrophobicContact CE2-CE2 4.49Å; Y153-F248 AromaticContact CE2-CG 3.52Å; Y153-F248 HydrophobicContact CE2-CG 3.52Å; Y153-F248 WeakPolarHBondContact OH-CD2 3.45Å; Y153-F249 HydrophobicContact CD2-CE2 4.28Å; Y153-F249 HydrophobicContact CD2-CZ 4.23Å
154	Q	89.8	Confident	90	Very high	14 Å²	14	31.4 Å²	31.4	7%	0.065	16%	0.157	C	C	.	.	H	α-helix	trans	-67.4	-37	179.8	-70.4	169.4	8.4	0	0	112.4	C45 T46 N47 L150 Y151 F152 S158	C45-Q154 HydrophobicContact CB-CB 3.93Å; C45-Q154 PolarHBondContact O-OE1 3.08Å; T46-Q154 VanDerWaalsContact C-OE1 3.25Å; N47-Q154 PolarHBondContact OD1-NE2 3.46Å; L150-Q154 HydrophobicContact CD1-CG 4.38Å; L150-Q154 VanDerWaalsContact O-CG 3.29Å; L150-Q154 WeakPolarHBondContact O-CG 3.46Å; L150-Q154 PolarHBondContact O-N 2.96Å; Y151-Q154 PolarHBondContact O-N 2.98Å; F152-Q154 PolarHBondContact O-N 2.9Å; Q154-S158 VanDerWaalsContact O-CB 3.3Å; Q154-S158 WeakPolarHBondContact O-CB 3.26Å; Q154-S158 PolarHBondContact O-N 3.22Å
155	Q	92.8	Very high	90.1	Very high	9 Å²	9	25.4 Å²	25.4	4%	0.042	13%	0.126	C	C	.	.	H	α-helix	trans	-60	-57.1	172.9	-177.2	-179.3	-61.8	0	0	110.7	R130 I131 Y151 F152 R157 S158 D159	R130-Q155 VanDerWaalsContact CA-OE1 3.26Å; I131-Q155 PolarHBondContact O-NE2 2.86Å; Y151-Q155 PolarHBondContact O-N 3.27Å; F152-Q155 PolarHBondContact O-N 3.06Å; Q155-R157 VanDerWaalsContact C-N 3.32Å; Q155-R157 PolarHBondContact O-N 3.45Å; Q155-S158 WeakPolarHBondContact O-CA 3.38Å; Q155-S158 WeakPolarHBondContact O-CB 3.22Å; Q155-S158 PolarHBondContact O-N 3.03Å; Q155-D159 PolarHBondContact O-N 3.32Å
156	V	94.9	Very high	90.1	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.024	15%	0.148	C	C	.	.	H	α-helix	trans	-63.6	-35.4	-178.3	174.2	0	0	0	0	111.9	F152 Y153 Y160 F249 L252 F258	F152-V156 HydrophobicContact CD1-CG2 4.46Å; F152-V156 HydrophobicContact CD2-CG2 4.12Å; F152-V156 HydrophobicContact CE1-CG2 4.09Å; F152-V156 HydrophobicContact CE2-CG2 3.72Å; F152-V156 HydrophobicContact CG-CG2 4.47Å; F152-V156 HydrophobicContact CZ-CG2 3.7Å; F152-V156 WeakPolarHBondContact O-CG2 3.43Å; F152-V156 PolarHBondContact O-N 3.24Å; Y153-V156 PolarHBondContact O-N 2.83Å; V156-Y160 WeakPolarHBondContact O-CB 3.5Å; V156-Y160 PolarHBondContact O-N 2.77Å; V156-F249 HydrophobicContact CB-CE1 4.01Å; V156-F249 HydrophobicContact CG1-CD1 4.36Å; V156-F249 HydrophobicContact CG1-CE1 4.13Å; V156-F249 HydrophobicContact CG2-CE1 4.08Å; V156-L252 HydrophobicContact CG1-CD2 3.56Å; V156-F258 HydrophobicContact CG1-CB 3.79Å; V156-F258 HydrophobicContact CG1-CD1 3.89Å; V156-F258 HydrophobicContact CG1-CD2 4.23Å; V156-F258 HydrophobicContact CG1-CG 3.67Å; V156-F258 HydrophobicContact CG2-CB 3.91Å; V156-F258 HydrophobicContact CG2-CD2 4.11Å; V156-F258 HydrophobicContact CG2-CG 4.12Å
157	R	93.1	Very high	90.5	Very high	11 Å²	11	30.1 Å²	30.1	4%	0.042	16%	0.157	C	C	.	.	H	α-helix	trans	-65.4	-39.3	170.7	176	175.2	159.5	-95.5	-2.9	112.2	Y153 Q155 Y160 M161 E180 L210 F248	Y153-R157 HydrophobicContact CE1-CB 4.49Å; Y153-R157 VanDerWaalsContact O-CB 3.28Å; Y153-R157 WeakPolarHBondContact O-CB 3.41Å; Y153-R157 PolarHBondContact O-N 3.38Å; Q155-R157 VanDerWaalsContact C-N 3.32Å; Q155-R157 PolarHBondContact O-N 3.45Å; R157-Y160 PolarHBondContact O-N 2.87Å; R157-M161 HydrophobicContact CG-CG 4.47Å; R157-M161 WeakPolarHBondContact O-CG 3.06Å; R157-M161 PolarHBondContact O-N 3.35Å; R157-E180 IonicContact CZ-OE1 3.25Å; R157-E180 IonicContact NE-OE1 3.1Å; R157-E180 IonicContact NH1-OE1 3.31Å; R157-E180 PolarHBondContact NH1-OE1 3.39Å; R157-E180 IonicContact NH2-OE1 2.7Å; R157-L210 PolarHBondContact NH2-O 2.87Å; R157-F248 HydrophobicContact CB-CE1 4.23Å; R157-F248 HydrophobicContact CB-CZ 3.85Å; R157-F248 HydrophobicContact CG-CE2 4.42Å; R157-F248 HydrophobicContact CG-CZ 4.05Å
158	S	89.8	Confident	90.9	Very high	6 Å²	6	30.2 Å²	30.2	4%	0.042	16%	0.158	C	C	.	.	H	α-helix	trans	-64.7	-46.1	177	-171.9	0	0	0	0	111.2	Q154 Q155 Y160 M161 Q162	Q154-S158 VanDerWaalsContact O-CB 3.3Å; Q154-S158 WeakPolarHBondContact O-CB 3.26Å; Q154-S158 PolarHBondContact O-N 3.22Å; Q155-S158 WeakPolarHBondContact O-CA 3.38Å; Q155-S158 WeakPolarHBondContact O-CB 3.22Å; Q155-S158 PolarHBondContact O-N 3.03Å; S158-Y160 VanDerWaalsContact C-N 3.34Å; S158-Y160 PolarHBondContact O-N 3.22Å; S158-M161 PolarHBondContact O-N 3.29Å; S158-Q162 WeakPolarHBondContact O-CG 3.44Å; S158-Q162 PolarHBondContact O-N 2.9Å; S158-Q162 PolarHBondContact OG-NE2 3.5Å; S158-Q162 VanDerWaalsContact OG-NE2 3.16Å
159	D	91.2	Very high	91.1	Very high	38 Å²	38	34 Å²	34	20%	0.203	18%	0.184	C	C	.	.	H	α-helix	trans	-63.5	-40.9	177.2	-54.7	-29.6	0	0	0	110.7	R130 Q155 Q162 C163	R130-D159 IonicContact CZ-OD1 3.84Å; R130-D159 IonicContact CZ-OD2 2.87Å; R130-D159 IonicContact NH1-OD1 2.78Å; R130-D159 PolarHBondContact NH1-OD1 3.34Å; R130-D159 IonicContact NH1-OD2 3.61Å; R130-D159 IonicContact NH2-OD1 3.22Å; R130-D159 PolarHBondContact NH2-OD1 3.04Å; R130-D159 IonicContact NH2-OD2 2.79Å; R130-D159 PolarHBondContact NH2-OD2 2.76Å; Q155-D159 PolarHBondContact O-N 3.32Å; D159-Q162 PolarHBondContact O-N 3.45Å; D159-C163 VanDerWaalsContact O-CB 3.3Å; D159-C163 WeakPolarHBondContact O-CB 3.49Å; D159-C163 PolarHBondContact O-N 3.41Å
160	Y	93.7	Very high	91.1	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.016	20%	0.201	C	C	.	.	I	π-helix	trans	-56.1	-54.3	171.2	161.5	-103.5	0	0	0	112	V156 R157 S158 Q162 H164 A165 V168 L176 F248 L252	V156-Y160 WeakPolarHBondContact O-CB 3.5Å; V156-Y160 PolarHBondContact O-N 2.77Å; R157-Y160 PolarHBondContact O-N 2.87Å; S158-Y160 VanDerWaalsContact C-N 3.34Å; S158-Y160 PolarHBondContact O-N 3.22Å; Y160-Q162 VanDerWaalsContact C-N 3.29Å; Y160-Q162 PolarHBondContact O-N 3.05Å; Y160-H164 HydrophobicContact CD2-CB 4.03Å; Y160-H164 CarbonylContact O-C 3.58Å; Y160-H164 WeakPolarHBondContact O-CA 3.48Å; Y160-H164 PolarHBondContact O-N 3.39Å; Y160-A165 HydrophobicContact CD1-CB 4.39Å; Y160-A165 HydrophobicContact CD2-CB 4.36Å; Y160-A165 HydrophobicContact CE1-CB 3.87Å; Y160-A165 HydrophobicContact CE2-CB 3.83Å; Y160-A165 WeakPolarHBondContact O-CB 3.03Å; Y160-A165 PolarHBondContact O-N 3.43Å; Y160-V168 HydrophobicContact CE2-CG1 4.08Å; Y160-V168 HydrophobicContact CE2-CG2 3.97Å; Y160-L176 HydrophobicContact CD2-CD1 4Å; Y160-L176 HydrophobicContact CE1-CB 4.35Å; Y160-L176 HydrophobicContact CE1-CD1 4.17Å; Y160-L176 HydrophobicContact CE2-CD1 3.47Å; Y160-L176 VanDerWaalsContact CE2-CD1 3.47Å; Y160-F248 HydrophobicContact CD1-CZ 4.13Å; Y160-F248 HydrophobicContact CG-CZ 4.43Å; Y160-L252 HydrophobicContact CD2-CD1 3.74Å; Y160-L252 HydrophobicContact CE2-CD1 4.45Å; Y160-L252 HydrophobicContact CG-CD1 4.4Å
161	M	90.1	Very high	91.4	Very high	44 Å²	44	37.6 Å²	37.6	22%	0.217	21%	0.214	C	C	.	.	I	π-helix	trans	-61.8	-35.5	-177.3	-71.9	-62.9	-72.6	0	0	112.7	L50 R157 S158 A165 D209	L50-M161 HydrophobicContact CD2-CB 3.99Å; L50-M161 HydrophobicContact CD2-CG 4.35Å; R157-M161 HydrophobicContact CG-CG 4.47Å; R157-M161 WeakPolarHBondContact O-CG 3.06Å; R157-M161 PolarHBondContact O-N 3.35Å; S158-M161 PolarHBondContact O-N 3.29Å; M161-A165 HydrophobicContact SD-CB 4.3Å; M161-D209 WeakPolarHBondContact CE-O 3.25Å
162	Q	86.2	Confident	91.8	Very high	126 Å²	126	38.4 Å²	38.4	59%	0.589	22%	0.218	S	C	*	.	I	π-helix	trans	-82	-42.9	-179.1	-66.7	177	23.8	0	0	113.1	S158 D159 Y160	S158-Q162 WeakPolarHBondContact O-CG 3.44Å; S158-Q162 PolarHBondContact O-N 2.9Å; S158-Q162 PolarHBondContact OG-NE2 3.5Å; S158-Q162 VanDerWaalsContact OG-NE2 3.16Å; D159-Q162 PolarHBondContact O-N 3.45Å; Y160-Q162 VanDerWaalsContact C-N 3.29Å; Y160-Q162 PolarHBondContact O-N 3.05Å
163	C	86.9	Confident	91.8	Very high	62 Å²	62	38.5 Å²	38.5	42%	0.419	22%	0.218	S	C	.	.	I	π-helix	trans	-110.7	-19.1	-165.2	-62.6	0	0	0	0	114.7	D159 K167	D159-C163 VanDerWaalsContact O-CB 3.3Å; D159-C163 WeakPolarHBondContact O-CB 3.49Å; D159-C163 PolarHBondContact O-N 3.41Å; C163-K167 WeakPolarHBondContact O-CE 3.46Å; C163-K167 PolarHBondContact O-NZ 2.83Å
164	H	89.5	Confident	92	Very high	46 Å²	46	39 Å²	39	21%	0.213	22%	0.221	C	C	.	.	I	π-helix	trans	-130.6	-25.4	-167.8	-59.2	-89.7	0	0	0	115.3	Y160 S166 K167 V168 F255 T256	Y160-H164 HydrophobicContact CD2-CB 4.03Å; Y160-H164 CarbonylContact O-C 3.58Å; Y160-H164 WeakPolarHBondContact O-CA 3.48Å; Y160-H164 PolarHBondContact O-N 3.39Å; H164-S166 PolarHBondContact O-N 3.13Å; H164-S166 VanDerWaalsContact O-N 3.14Å; H164-K167 WeakPolarHBondContact O-CA 3.35Å; H164-K167 WeakPolarHBondContact O-CB 3.44Å; H164-K167 PolarHBondContact O-N 3.13Å; H164-V168 PolarHBondContact O-N 3.34Å; H164-F255 HydrophobicContact CB-CE1 4.04Å; H164-F255 AromaticContact ND1-CE1 3.8Å; H164-T256 PolarHBondContact CE1-OG1 3.37Å
165	A	88.8	Confident	92.3	Very high	5 Å²	5	41.3 Å²	41.3	4%	0.041	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.2	-172.1	0	0	0	0	0	114.1	Y160 M161 K167 P213	Y160-A165 HydrophobicContact CD1-CB 4.39Å; Y160-A165 HydrophobicContact CD2-CB 4.36Å; Y160-A165 HydrophobicContact CE1-CB 3.87Å; Y160-A165 HydrophobicContact CE2-CB 3.83Å; Y160-A165 WeakPolarHBondContact O-CB 3.03Å; Y160-A165 PolarHBondContact O-N 3.43Å; M161-A165 HydrophobicContact SD-CB 4.3Å; A165-K167 VanDerWaalsContact C-N 3.34Å; A165-P213 HydrophobicContact CB-CB 3.89Å; A165-P213 HydrophobicContact CB-CG 4.24Å; A165-P213 WeakPolarHBondContact O-CB 3.46Å; A165-P213 WeakPolarHBondContact O-CG 3.48Å
166	S	86.8	Confident	92.6	Very high	70 Å²	70	40.9 Å²	40.9	49%	0.49	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-2.2	171.8	56.7	0	0	0	0	114.7	H164	H164-S166 PolarHBondContact O-N 3.13Å; H164-S166 VanDerWaalsContact O-N 3.14Å
167	K	90.9	Very high	92.6	Very high	137 Å²	137	40.8 Å²	40.8	60%	0.596	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.9	-17.2	-174.9	-57.3	171.2	-175.3	158.5	0	113.5	C163 H164 A165 F255	C163-K167 WeakPolarHBondContact O-CE 3.46Å; C163-K167 PolarHBondContact O-NZ 2.83Å; H164-K167 WeakPolarHBondContact O-CA 3.35Å; H164-K167 WeakPolarHBondContact O-CB 3.44Å; H164-K167 PolarHBondContact O-N 3.13Å; A165-K167 VanDerWaalsContact C-N 3.34Å; K167-F255 HydrophobicContact CB-CE1 4.49Å; K167-F255 HydrophobicContact CB-CZ 3.83Å
168	V	93.4	Very high	92.8	Very high	17 Å²	17	40.2 Å²	40.2	10%	0.103	23%	0.227	C	C	.	.	S	Bend	trans	-76.9	164.8	172.2	-63.2	0	0	0	0	111.1	Y160 H164 M172 A173 F255	Y160-V168 HydrophobicContact CE2-CG1 4.08Å; Y160-V168 HydrophobicContact CE2-CG2 3.97Å; H164-V168 PolarHBondContact O-N 3.34Å; V168-M172 HydrophobicContact CB-CB 4.27Å; V168-M172 HydrophobicContact CB-CG 4.25Å; V168-M172 HydrophobicContact CB-SD 3.98Å; V168-M172 HydrophobicContact CG1-CG 4.4Å; V168-M172 HydrophobicContact CG1-SD 3.67Å; V168-A173 HydrophobicContact CG2-CB 3.99Å; V168-F255 HydrophobicContact CG1-CD1 3.56Å; V168-F255 HydrophobicContact CG1-CD2 4.15Å; V168-F255 HydrophobicContact CG1-CE1 3.65Å; V168-F255 HydrophobicContact CG1-CE2 4.23Å; V168-F255 HydrophobicContact CG1-CG 3.82Å; V168-F255 HydrophobicContact CG1-CZ 3.99Å
169	S	94.8	Very high	93.2	Very high	79 Å²	79	40 Å²	40	55%	0.552	23%	0.225	S	C	*	.			trans	-74.4	151.3	172.8	64.4	0	0	0	0	112.1	G171 M172 A173	S169-G171 PolarHBondContact O-N 3.07Å; S169-G171 VanDerWaalsContact O-N 3.11Å; S169-M172 PolarHBondContact O-N 3.14Å; S169-M172 PolarHBondContact OG-N 3.27Å; S169-A173 PolarHBondContact O-N 2.8Å
170	D	94.1	Very high	93.3	Very high	70 Å²	70	38.2 Å²	38.2	37%	0.374	22%	0.216	S	C	.	.	H	α-helix	trans	-47.6	-40.9	173.8	-73.4	5.4	0	0	0	112.4	A173 L174 L216 M220	D170-A173 PolarHBondContact O-N 2.98Å; D170-L174 WeakPolarHBondContact O-CB 3.36Å; D170-L174 WeakPolarHBondContact O-CD1 2.95Å; D170-L174 WeakPolarHBondContact O-CG 3.29Å; D170-L174 PolarHBondContact O-N 3.04Å; D170-L216 HydrophobicContact CB-CD1 3.83Å; D170-M220 HydrophobicContact CB-CE 4.32Å; D170-M220 WeakPolarHBondContact OD2-CE 3.43Å
171	G	95.2	Very high	93.3	Very high	42 Å²	42	38 Å²	38	43%	0.433	22%	0.215	S	C	.	.	H	α-helix	trans	-61.9	-44	176.9	0	0	0	0	0	113.5	S169 Q175	S169-G171 PolarHBondContact O-N 3.07Å; S169-G171 VanDerWaalsContact O-N 3.11Å; G171-Q175 WeakPolarHBondContact O-CG 3.31Å; G171-Q175 PolarHBondContact O-N 3.26Å; G171-Q175 VanDerWaalsContact O-N 3.11Å
172	M	96.7	Very high	93.4	Very high	22 Å²	22	36.5 Å²	36.5	11%	0.108	21%	0.207	C	C	.	.	H	α-helix	trans	-70.1	-41.2	176.4	178.7	174.3	-76.8	0	0	111.5	V168 S169 L174 Q175 L176 T251 T254 F255	V168-M172 HydrophobicContact CB-CB 4.27Å; V168-M172 HydrophobicContact CB-CG 4.25Å; V168-M172 HydrophobicContact CB-SD 3.98Å; V168-M172 HydrophobicContact CG1-CG 4.4Å; V168-M172 HydrophobicContact CG1-SD 3.67Å; S169-M172 PolarHBondContact O-N 3.14Å; S169-M172 PolarHBondContact OG-N 3.27Å; M172-L174 VanDerWaalsContact C-N 3.32Å; M172-L174 PolarHBondContact O-N 3.36Å; M172-Q175 PolarHBondContact O-N 3.45Å; M172-Q175 VanDerWaalsContact O-N 3.14Å; M172-L176 HydrophobicContact CG-CD1 3.77Å; M172-L176 HydrophobicContact CG-CG 4.19Å; M172-L176 WeakPolarHBondContact O-CG 3.36Å; M172-L176 PolarHBondContact O-N 3.01Å; M172-L176 HydrophobicContact SD-CD1 4.41Å; M172-T251 HydrophobicContact CE-CG2 4.22Å; M172-T251 WeakPolarHBondContact CE-O 3.49Å; M172-T251 HydrophobicContact CG-CG2 4Å; M172-T254 VanDerWaalsContact CE-OG1 3.28Å; M172-T254 WeakPolarHBondContact CE-OG1 3.41Å; M172-F255 HydrophobicContact CE-CB 4.06Å; M172-F255 HydrophobicContact SD-CB 3.8Å; M172-F255 HydrophobicContact SD-CG 4.36Å
173	A	96.3	Very high	93.7	Very high	2 Å²	2	30.7 Å²	30.7	2%	0.017	18%	0.18	C	C	.	.	H	α-helix	trans	-60.4	-40.8	175.3	0	0	0	0	0	112.1	V168 S169 D170 G177 P213 L216	V168-A173 HydrophobicContact CG2-CB 3.99Å; S169-A173 PolarHBondContact O-N 2.8Å; D170-A173 PolarHBondContact O-N 2.98Å; A173-G177 PolarHBondContact O-N 2.99Å; A173-P213 HydrophobicContact CB-CG 3.87Å; A173-L216 HydrophobicContact CB-CD2 3.79Å
174	L	96.5	Very high	93.6	Very high	10 Å²	10	29.6 Å²	29.6	5%	0.052	17%	0.168	C	C	.	.	H	α-helix	trans	-61.1	-43.6	172.3	-74.4	163.4	0	0	0	112	D170 M172 C178 F212 L216 L225 M228 I229	D170-L174 WeakPolarHBondContact O-CB 3.36Å; D170-L174 WeakPolarHBondContact O-CD1 2.95Å; D170-L174 WeakPolarHBondContact O-CG 3.29Å; D170-L174 PolarHBondContact O-N 3.04Å; M172-L174 VanDerWaalsContact C-N 3.32Å; M172-L174 PolarHBondContact O-N 3.36Å; L174-C178 VanDerWaalsContact O-CB 3.28Å; L174-C178 WeakPolarHBondContact O-CB 3.36Å; L174-C178 PolarHBondContact O-N 3.22Å; L174-C178 PolarHBondContact O-SG 2.94Å; L174-F212 HydrophobicContact CD2-CE1 4.34Å; L174-L216 HydrophobicContact CD2-CD2 3.97Å; L174-L216 HydrophobicContact CG-CD1 4.4Å; L174-L216 HydrophobicContact CG-CD2 3.86Å; L174-L225 HydrophobicContact CD2-CD1 4.28Å; L174-M228 HydrophobicContact CD1-CB 4.21Å; L174-M228 HydrophobicContact CD1-CE 3.64Å; L174-M228 HydrophobicContact CD1-SD 3.98Å; L174-M228 HydrophobicContact CD2-CB 4.24Å; L174-M228 HydrophobicContact CD2-CE 4.06Å; L174-M228 HydrophobicContact CG-CE 4.4Å; L174-I229 HydrophobicContact CD2-CG1 3.92Å
175	Q	97.8	Very high	93.3	Very high	63 Å²	63	28 Å²	28	29%	0.294	16%	0.16	S	C	.	.	H	α-helix	trans	-64.8	-51.5	179.1	-72.9	-178.7	-37	0	0	112	G171 M172 G177 C178 L179 T232 Y236	G171-Q175 WeakPolarHBondContact O-CG 3.31Å; G171-Q175 PolarHBondContact O-N 3.26Å; G171-Q175 VanDerWaalsContact O-N 3.11Å; M172-Q175 PolarHBondContact O-N 3.45Å; M172-Q175 VanDerWaalsContact O-N 3.14Å; Q175-G177 PolarHBondContact O-N 2.79Å; Q175-C178 PolarHBondContact O-N 3Å; Q175-L179 WeakPolarHBondContact O-CB 3.38Å; Q175-L179 VanDerWaalsContact O-CG 3.31Å; Q175-L179 WeakPolarHBondContact O-CG 3.07Å; Q175-L179 PolarHBondContact O-N 3.03Å; Q175-T232 HydrophobicContact CG-CG2 4.1Å; Q175-Y236 HydrophobicContact CB-CE2 4.34Å; Q175-Y236 HydrophobicContact CG-CE2 4.42Å; Q175-Y236 VanDerWaalsContact CG-OH 3.27Å; Q175-Y236 WeakPolarHBondContact CG-OH 3.35Å; Q175-Y236 PolarHBondContact NE2-OH 2.74Å
176	L	97.4	Very high	92.9	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-62	-40.9	-179.4	-66.6	173.4	0	0	0	111.9	Y160 M172 L179 E180 F248 T251 L252	Y160-L176 HydrophobicContact CD2-CD1 4Å; Y160-L176 HydrophobicContact CE1-CB 4.35Å; Y160-L176 HydrophobicContact CE1-CD1 4.17Å; Y160-L176 HydrophobicContact CE2-CD1 3.47Å; Y160-L176 VanDerWaalsContact CE2-CD1 3.47Å; M172-L176 HydrophobicContact CG-CD1 3.77Å; M172-L176 HydrophobicContact CG-CG 4.19Å; M172-L176 WeakPolarHBondContact O-CG 3.36Å; M172-L176 PolarHBondContact O-N 3.01Å; M172-L176 HydrophobicContact SD-CD1 4.41Å; L176-L179 PolarHBondContact O-N 3.33Å; L176-E180 PolarHBondContact O-N 3.32Å; L176-E180 VanDerWaalsContact O-N 3.1Å; L176-F248 HydrophobicContact CB-CD2 4.09Å; L176-F248 HydrophobicContact CB-CE2 3.8Å; L176-F248 HydrophobicContact CD2-CB 4.42Å; L176-F248 HydrophobicContact CD2-CD1 4.25Å; L176-F248 HydrophobicContact CD2-CD2 3.51Å; L176-F248 HydrophobicContact CD2-CE1 4.43Å; L176-F248 HydrophobicContact CD2-CE2 3.74Å; L176-F248 HydrophobicContact CD2-CG 3.77Å; L176-F248 HydrophobicContact CD2-CZ 4.18Å; L176-F248 HydrophobicContact CG-CD2 4.39Å; L176-F248 HydrophobicContact CG-CE2 4.27Å; L176-T251 HydrophobicContact CD2-CG2 3.74Å; L176-T251 HydrophobicContact CG-CG2 4.04Å; L176-L252 HydrophobicContact CD1-CD1 4.2Å; L176-L252 HydrophobicContact CD2-CB 4.3Å
177	G	96	Very high	92.5	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-69.2	-40.5	175.4	0	0	0	0	0	113.6	A173 Q175 L179 E180 I181 F211	A173-G177 PolarHBondContact O-N 2.99Å; Q175-G177 PolarHBondContact O-N 2.79Å; G177-L179 VanDerWaalsContact C-N 3.3Å; G177-L179 PolarHBondContact O-N 2.99Å; G177-E180 PolarHBondContact O-N 3.15Å; G177-I181 WeakPolarHBondContact O-CG1 3.49Å; G177-I181 PolarHBondContact O-N 3.28Å; G177-F211 WeakPolarHBondContact CA-O 3.13Å
178	C	96.9	Very high	92.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.2	-35.1	174.1	-69.5	0	0	0	0	112.6	L174 Q175 I181 R182 T232 F233 Y236	L174-C178 VanDerWaalsContact O-CB 3.28Å; L174-C178 WeakPolarHBondContact O-CB 3.36Å; L174-C178 PolarHBondContact O-N 3.22Å; L174-C178 PolarHBondContact O-SG 2.94Å; Q175-C178 PolarHBondContact O-N 3Å; C178-I181 PolarHBondContact O-N 2.91Å; C178-R182 PolarHBondContact O-N 3.44Å; C178-T232 HydrophobicContact CB-CG2 4Å; C178-F233 HydrophobicContact CB-CB 4.46Å; C178-Y236 HydrophobicContact CB-CD2 3.94Å; C178-Y236 HydrophobicContact CB-CE2 4.25Å
179	L	97.3	Very high	91.5	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65	-42.4	173.5	-74.7	167.6	0	0	0	111.9	Q175 L176 G177 R182 R183 Y236 L239 C244 K247 F248	Q175-L179 WeakPolarHBondContact O-CB 3.38Å; Q175-L179 VanDerWaalsContact O-CG 3.31Å; Q175-L179 WeakPolarHBondContact O-CG 3.07Å; Q175-L179 PolarHBondContact O-N 3.03Å; L176-L179 PolarHBondContact O-N 3.33Å; G177-L179 VanDerWaalsContact C-N 3.3Å; G177-L179 PolarHBondContact O-N 2.99Å; L179-R182 PolarHBondContact O-N 2.88Å; L179-R183 WeakPolarHBondContact O-CB 3.37Å; L179-R183 PolarHBondContact O-N 2.59Å; L179-Y236 HydrophobicContact CD2-CD1 3.66Å; L179-Y236 HydrophobicContact CD2-CD2 3.85Å; L179-Y236 HydrophobicContact CD2-CE1 4.07Å; L179-Y236 HydrophobicContact CD2-CE2 4.23Å; L179-Y236 HydrophobicContact CD2-CG 3.55Å; L179-Y236 HydrophobicContact CG-CD1 4.39Å; L179-Y236 HydrophobicContact CG-CD2 3.85Å; L179-Y236 HydrophobicContact CG-CE1 4.45Å; L179-Y236 HydrophobicContact CG-CE2 3.91Å; L179-Y236 HydrophobicContact CG-CG 4.1Å; L179-L239 HydrophobicContact CD2-CD1 4.04Å; L179-C244 HydrophobicContact CD2-CB 4.42Å; L179-K247 HydrophobicContact CD1-CB 4.1Å; L179-K247 HydrophobicContact CD1-CG 4.08Å; L179-K247 HydrophobicContact CD2-CB 3.88Å; L179-K247 HydrophobicContact CD2-CG 4.09Å; L179-F248 HydrophobicContact CD1-CB 4.24Å
180	E	94.2	Very high	91.1	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-65.7	-41.9	173.2	176.1	64.7	173.1	0	0	111.7	Y153 R157 L176 G177 R182 R183 F184 F211	Y153-E180 WeakPolarHBondContact CE1-OE2 3.5Å; Y153-E180 PolarHBondContact OH-OE2 2.96Å; R157-E180 IonicContact CZ-OE1 3.25Å; R157-E180 IonicContact NE-OE1 3.1Å; R157-E180 IonicContact NH1-OE1 3.31Å; R157-E180 PolarHBondContact NH1-OE1 3.39Å; R157-E180 IonicContact NH2-OE1 2.7Å; L176-E180 PolarHBondContact O-N 3.32Å; L176-E180 VanDerWaalsContact O-N 3.1Å; G177-E180 PolarHBondContact O-N 3.15Å; E180-R182 VanDerWaalsContact C-N 3.28Å; E180-R182 PolarHBondContact O-N 2.97Å; E180-R183 PolarHBondContact O-N 3.45Å; E180-R183 VanDerWaalsContact O-N 3.17Å; E180-R183 IonicContact OE1-CZ 2.61Å; E180-R183 IonicContact OE1-NE 2.77Å; E180-R183 IonicContact OE1-NH2 2.68Å; E180-R183 PolarHBondContact OE1-NH2 3Å; E180-R183 IonicContact OE2-CZ 4Å; E180-R183 IonicContact OE2-NE 2.65Å; E180-R183 PolarHBondContact OE2-NE 2.77Å; E180-R183 IonicContact OE2-NH2 3.4Å; E180-R183 PolarHBondContact OE2-NH2 3.31Å; E180-F184 WeakPolarHBondContact O-CB 3.36Å; E180-F184 PolarHBondContact O-N 3.45Å; E180-F211 HydrophobicContact CB-CD1 4.18Å; E180-F211 HydrophobicContact CG-CD1 3.68Å; E180-F211 HydrophobicContact CG-CE1 3.95Å
181	I	92.8	Very high	90.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.5	-42.9	176.6	-64.5	162	0	0	0	110.6	G177 C178 Y185 L193 L202 F211 F212 I229 F233	G177-I181 WeakPolarHBondContact O-CG1 3.49Å; G177-I181 PolarHBondContact O-N 3.28Å; C178-I181 PolarHBondContact O-N 2.91Å; I181-Y185 HydrophobicContact CG2-CD2 4.08Å; I181-Y185 PolarHBondContact O-N 3.16Å; I181-L193 HydrophobicContact CG2-CD1 4.01Å; I181-L202 HydrophobicContact CD1-CD2 3.97Å; I181-F211 HydrophobicContact CB-CD1 4.37Å; I181-F211 HydrophobicContact CD1-CB 4.18Å; I181-F211 HydrophobicContact CD1-CD1 4.43Å; I181-F211 HydrophobicContact CD1-CG 4.14Å; I181-F211 HydrophobicContact CG1-CB 4Å; I181-F211 HydrophobicContact CG1-CD1 3.38Å; I181-F211 HydrophobicContact CG1-CD2 4.09Å; I181-F211 HydrophobicContact CG1-CE1 3.81Å; I181-F211 HydrophobicContact CG1-CE2 4.46Å; I181-F211 HydrophobicContact CG1-CG 3.54Å; I181-F211 HydrophobicContact CG1-CZ 4.33Å; I181-F212 HydrophobicContact CD1-CE2 3.67Å; I181-F212 HydrophobicContact CD1-CZ 3.6Å; I181-I229 HydrophobicContact CD1-CG2 4.25Å; I181-F233 HydrophobicContact CB-CD2 4.44Å; I181-F233 HydrophobicContact CB-CE2 4.34Å; I181-F233 HydrophobicContact CG2-CD2 4.24Å; I181-F233 HydrophobicContact CG2-CE2 3.93Å
182	R	93.8	Very high	90.1	Very high	13 Å²	13	25.7 Å²	25.7	5%	0.049	13%	0.126	C	C	.	.	H	α-helix	trans	-65.5	-39.2	177.6	178.8	66.9	-80.6	-173.4	-0.1	112.2	C178 L179 E180 Y185 K186 M188 F233 Y236 A237 L239 C244	C178-R182 PolarHBondContact O-N 3.44Å; L179-R182 PolarHBondContact O-N 2.88Å; E180-R182 VanDerWaalsContact C-N 3.28Å; E180-R182 PolarHBondContact O-N 2.97Å; R182-Y185 PolarHBondContact NH2-O 2.74Å; R182-K186 PolarHBondContact NH2-O 2.91Å; R182-K186 VanDerWaalsContact NH2-O 3.16Å; R182-M188 VanDerWaalsContact CZ-O 3.29Å; R182-M188 PolarHBondContact NH1-O 3.23Å; R182-M188 PolarHBondContact NH2-O 3.5Å; R182-F233 HydrophobicContact CB-CE2 3.75Å; R182-F233 HydrophobicContact CB-CZ 4.3Å; R182-Y236 WeakPolarHBondContact CD-O 3.49Å; R182-Y236 WeakPolarHBondContact CG-O 3.23Å; R182-A237 WeakPolarHBondContact CD-O 3.26Å; R182-A237 PolarHBondContact NH1-O 2.88Å; R182-L239 HydrophobicContact CG-CB 4.45Å; R182-C244 WeakPolarHBondContact CG-SG 3.5Å
183	R	91.7	Very high	89.7	Confident	3 Å²	3	24.8 Å²	24.8	1%	0.011	12%	0.122	C	C	.	.	H	α-helix	trans	-70.8	-48.3	177.7	-168.9	-149.9	62	87.9	-7.3	112	N47 Y153 L179 E180 K186 E241 C244 M245	N47-R183 PolarHBondContact OD1-NH1 3.05Å; N47-R183 PolarHBondContact OD1-NH2 2.67Å; Y153-R183 VanDerWaalsContact CE1-CD 3.45Å; L179-R183 WeakPolarHBondContact O-CB 3.37Å; L179-R183 PolarHBondContact O-N 2.59Å; E180-R183 PolarHBondContact O-N 3.45Å; E180-R183 VanDerWaalsContact O-N 3.17Å; E180-R183 IonicContact OE1-CZ 2.61Å; E180-R183 IonicContact OE1-NE 2.77Å; E180-R183 IonicContact OE1-NH2 2.68Å; E180-R183 PolarHBondContact OE1-NH2 3Å; E180-R183 IonicContact OE2-CZ 4Å; E180-R183 IonicContact OE2-NE 2.65Å; E180-R183 PolarHBondContact OE2-NE 2.77Å; E180-R183 IonicContact OE2-NH2 3.4Å; E180-R183 PolarHBondContact OE2-NH2 3.31Å; R183-K186 WeakPolarHBondContact O-CB 3.31Å; R183-K186 PolarHBondContact O-N 2.81Å; R183-E241 HydrophobicContact CG-CB 4.3Å; R183-E241 HydrophobicContact CG-CG 3.8Å; R183-E241 IonicContact NH1-OE1 2.78Å; R183-C244 HydrophobicContact CB-CB 3.87Å; R183-C244 HydrophobicContact CG-CB 4.36Å; R183-M245 HydrophobicContact CG-CG 4.31Å
184	F	85.4	Confident	89.3	Confident	40 Å²	40	29.3 Å²	29.3	18%	0.175	14%	0.143	C	C	.	.	H	α-helix	trans	-62.8	-47.4	-177.6	-168.1	-77.8	0	0	0	110.9	E180 K186 F211	E180-F184 WeakPolarHBondContact O-CB 3.36Å; E180-F184 PolarHBondContact O-N 3.45Å; F184-K186 PolarHBondContact O-N 3.11Å; F184-F211 HydrophobicContact CB-CE1 4.18Å; F184-F211 HydrophobicContact CD2-CE1 4.48Å; F184-F211 HydrophobicContact CG-CE1 4.22Å; F184-F211 HydrophobicContact CG-CZ 4.47Å
185	Y	82.6	Confident	88.6	Confident	13 Å²	13	31.4 Å²	31.4	5%	0.051	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	53	175.3	-62.6	-72.7	0	0	0	111.7	I181 R182 D187 M188 L202 V206 F211 F590	I181-Y185 HydrophobicContact CG2-CD2 4.08Å; I181-Y185 PolarHBondContact O-N 3.16Å; R182-Y185 PolarHBondContact NH2-O 2.74Å; Y185-D187 PolarHBondContact O-N 2.85Å; Y185-D187 VanDerWaalsContact O-N 3.13Å; Y185-M188 VanDerWaalsContact O-CB 3.28Å; Y185-M188 WeakPolarHBondContact O-CB 3.39Å; Y185-M188 PolarHBondContact O-N 3.49Å; Y185-L202 HydrophobicContact CE2-CD1 3.91Å; Y185-V206 WeakPolarHBondContact OH-CG1 3.3Å; Y185-V206 VanDerWaalsContact OH-CG2 3.29Å; Y185-V206 WeakPolarHBondContact OH-CG2 3.37Å; Y185-F211 AromaticContact CE2-CZ 3.92Å; Y185-F211 HydrophobicContact CE2-CZ 3.92Å; Y185-F590 AromaticContact CD1-CD1 3.69Å; Y185-F590 HydrophobicContact CD1-CD1 3.69Å; Y185-F590 HydrophobicContact CD1-CE1 4.47Å; Y185-F590 HydrophobicContact CE1-CB 4.19Å; Y185-F590 AromaticContact CE1-CD1 3.73Å; Y185-F590 HydrophobicContact CE1-CD1 3.73Å; Y185-F590 HydrophobicContact CE1-CG 4.46Å; Y185-F590 HydrophobicContact CG-CD1 4.34Å
186	K	80.9	Confident	88	Confident	94 Å²	94	35.1 Å²	35.1	41%	0.409	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-26.5	-175.8	61.9	-174.7	174.8	-164.8	0	115.8	R182 R183 F184 E241	R182-K186 PolarHBondContact NH2-O 2.91Å; R182-K186 VanDerWaalsContact NH2-O 3.16Å; R183-K186 WeakPolarHBondContact O-CB 3.31Å; R183-K186 PolarHBondContact O-N 2.81Å; F184-K186 PolarHBondContact O-N 3.11Å; K186-E241 HydrophobicContact CD-CB 4.47Å; K186-E241 IonicContact NZ-OE1 3.72Å; K186-E241 PolarHBondContact NZ-OE1 2.84Å; K186-E241 IonicContact NZ-OE2 3.52Å; K186-E241 PolarHBondContact NZ-OE2 2.81Å
187	D	77.2	Confident	87.1	Confident	78 Å²	78	36.7 Å²	36.7	42%	0.417	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-15.3	178.9	-61.1	-19	0	0	0	113	Y185 R591	Y185-D187 PolarHBondContact O-N 2.85Å; Y185-D187 VanDerWaalsContact O-N 3.13Å; D187-R591 IonicContact OD2-CZ 2.68Å; D187-R591 VanDerWaalsContact OD2-CZ 3.31Å; D187-R591 IonicContact OD2-NE 2.74Å; D187-R591 PolarHBondContact OD2-NE 2.91Å; D187-R591 VanDerWaalsContact OD2-NE 3.1Å; D187-R591 IonicContact OD2-NH2 2.74Å; D187-R591 PolarHBondContact OD2-NH2 3.39Å
188	M	83.3	Confident	86.5	Confident	4 Å²	4	37 Å²	37	2%	0.02	18%	0.179	C	C	.	.	S	Bend	trans	-66.7	141.5	-178.5	-175.4	177.1	63.1	0	0	111.5	R182 Y185 L193 F233 F590	R182-M188 VanDerWaalsContact CZ-O 3.29Å; R182-M188 PolarHBondContact NH1-O 3.23Å; R182-M188 PolarHBondContact NH2-O 3.5Å; Y185-M188 VanDerWaalsContact O-CB 3.28Å; Y185-M188 WeakPolarHBondContact O-CB 3.39Å; Y185-M188 PolarHBondContact O-N 3.49Å; M188-L193 HydrophobicContact CE-CD2 3.98Å; M188-L193 HydrophobicContact CE-CG 4.04Å; M188-L193 HydrophobicContact SD-CD2 4.11Å; M188-F233 HydrophobicContact CE-CE1 4.14Å; M188-F233 HydrophobicContact CE-CE2 4.03Å; M188-F233 HydrophobicContact CE-CZ 3.46Å; M188-F233 VanDerWaalsContact CE-CZ 3.46Å; M188-F590 HydrophobicContact SD-CE1 3.63Å; M188-F590 HydrophobicContact SD-CZ 4.06Å
189	N	81	Confident	86.1	Confident	31 Å²	31	37 Å²	37	17%	0.166	18%	0.179	C	C	.	.			trans	-61.1	164.2	173.7	70.4	-21.8	0	0	0	113	K191 G192 E630	N189-K191 PolarHBondContact O-N 3.37Å; N189-G192 PolarHBondContact O-N 2.75Å; N189-G192 WeakPolarHBondContact OD1-CA 3.38Å; N189-G192 PolarHBondContact OD1-N 3.34Å; N189-E630 PolarHBondContact ND2-OE1 2.89Å; N189-E630 PolarHBondContact ND2-OE2 2.55Å
190	A	85.8	Confident	85.5	Confident	39 Å²	39	38.9 Å²	38.9	32%	0.322	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-29.4	179.8	0	0	0	0	0	113.5	A237	A190-A237 HydrophobicContact CB-CB 3.92Å; A190-A237 WeakPolarHBondContact O-CB 3.4Å
191	K	85.2	Confident	84.7	Confident	124 Å²	124	39.7 Å²	39.7	54%	0.539	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	10.6	-178.4	-68.3	-173.6	160.9	-141.3	0	114.2	N189 L193 E194	N189-K191 PolarHBondContact O-N 3.37Å; K191-L193 VanDerWaalsContact C-N 3.31Å; K191-L193 PolarHBondContact O-N 3.16Å; K191-E194 HydrophobicContact CB-CG 4.23Å; K191-E194 VanDerWaalsContact CD-OE2 3.27Å; K191-E194 WeakPolarHBondContact CD-OE2 3.37Å; K191-E194 WeakPolarHBondContact CG-OE2 3.34Å; K191-E194 IonicContact NZ-OE2 2.98Å; K191-E194 VanDerWaalsContact O-CB 3.32Å; K191-E194 WeakPolarHBondContact O-CB 3.01Å; K191-E194 PolarHBondContact O-N 3.07Å
192	G	83.1	Confident	84.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-57.3	-40.5	-166.7	0	0	0	0	0	114.4	N189 E194 N198	N189-G192 PolarHBondContact O-N 2.75Å; N189-G192 WeakPolarHBondContact OD1-CA 3.38Å; N189-G192 PolarHBondContact OD1-N 3.34Å; G192-E194 VanDerWaalsContact C-N 3.35Å; G192-E194 PolarHBondContact O-N 3.18Å; G192-N198 WeakPolarHBondContact O-CB 3.48Å; G192-N198 PolarHBondContact O-ND2 2.66Å
193	L	88.5	Confident	83.7	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.021	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-80.6	-8.3	179.2	-55.3	-173.7	0	0	0	114.2	I181 M188 K191 K195 L202 I229 Q230 F233	I181-L193 HydrophobicContact CG2-CD1 4.01Å; M188-L193 HydrophobicContact CE-CD2 3.98Å; M188-L193 HydrophobicContact CE-CG 4.04Å; M188-L193 HydrophobicContact SD-CD2 4.11Å; K191-L193 VanDerWaalsContact C-N 3.31Å; K191-L193 PolarHBondContact O-N 3.16Å; L193-K195 PolarHBondContact O-N 2.58Å; L193-L202 HydrophobicContact CD2-CD2 4.27Å; L193-I229 HydrophobicContact CD1-CG2 4.33Å; L193-Q230 WeakPolarHBondContact O-CG 3.43Å; L193-Q230 PolarHBondContact O-NE2 2.86Å; L193-F233 HydrophobicContact CD1-CB 3.95Å; L193-F233 HydrophobicContact CD1-CD1 3.97Å; L193-F233 HydrophobicContact CD1-CD2 3.56Å; L193-F233 HydrophobicContact CD1-CE1 4.4Å; L193-F233 HydrophobicContact CD1-CE2 4.01Å; L193-F233 HydrophobicContact CD1-CG 3.54Å; L193-F233 HydrophobicContact CD1-CZ 4.42Å; L193-F233 HydrophobicContact CG-CD1 4.21Å; L193-F233 HydrophobicContact CG-CD2 4.44Å; L193-F233 HydrophobicContact CG-CE1 4.32Å; L193-F233 HydrophobicContact CG-CG 4.27Å; L193-F233 HydrophobicContact CG-CZ 4.49Å
194	E	86.8	Confident	83	Confident	97 Å²	97	48.5 Å²	48.5	45%	0.453	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-66.3	-30.1	173.3	-59.8	-169.7	151.8	0	0	111	K191 G192 Q234	K191-E194 HydrophobicContact CB-CG 4.23Å; K191-E194 VanDerWaalsContact CD-OE2 3.27Å; K191-E194 WeakPolarHBondContact CD-OE2 3.37Å; K191-E194 WeakPolarHBondContact CG-OE2 3.34Å; K191-E194 IonicContact NZ-OE2 2.98Å; K191-E194 VanDerWaalsContact O-CB 3.32Å; K191-E194 WeakPolarHBondContact O-CB 3.01Å; K191-E194 PolarHBondContact O-N 3.07Å; G192-E194 VanDerWaalsContact C-N 3.35Å; G192-E194 PolarHBondContact O-N 3.18Å; E194-Q234 PolarHBondContact OE1-NE2 3.37Å
195	K	83.1	Confident	82.2	Confident	54 Å²	54	50.4 Å²	50.4	24%	0.235	24%	0.241	C	C	.	.	S	Bend	trans	-75	125.9	179.5	-71.5	178.9	174.1	174.7	0	111.3	L193 S197 N198 F199 E630 Y655	L193-K195 PolarHBondContact O-N 2.58Å; K195-S197 PolarHBondContact O-N 2.74Å; K195-N198 HydrophobicContact CB-CB 4.01Å; K195-N198 PolarHBondContact O-N 2.94Å; K195-F199 PolarHBondContact O-N 3.4Å; K195-E630 VanDerWaalsContact NZ-CB 3.26Å; K195-E630 PolarHBondContact NZ-O 3.26Å; K195-E630 IonicContact NZ-OE1 3.47Å; K195-E630 PolarHBondContact NZ-OE1 3.35Å; K195-Y655 HydrophobicContact CD-CE1 3.83Å; K195-Y655 WeakPolarHBondContact CD-OH 3.42Å; K195-Y655 PolarHBondContact NZ-OH 3.26Å
196	K	84.4	Confident	82	Confident	141 Å²	141	50.8 Å²	50.8	61%	0.613	25%	0.245	S	C	*	.	H	α-helix	trans	-53.3	-47.2	-178.8	-176.1	-165.5	166.2	-157.6	0	112.9	F199 E200	K196-F199 PolarHBondContact O-N 3.28Å; K196-E200 VanDerWaalsContact CE-CD 3.47Å; K196-E200 WeakPolarHBondContact CE-OE1 3.48Å; K196-E200 WeakPolarHBondContact CE-OE2 3.47Å; K196-E200 WeakPolarHBondContact CG-OE1 3.44Å; K196-E200 IonicContact NZ-OE2 2.62Å; K196-E200 WeakPolarHBondContact O-CB 3.38Å; K196-E200 WeakPolarHBondContact O-CG 3.48Å; K196-E200 PolarHBondContact O-N 2.98Å
197	S	79.3	Confident	82	Confident	33 Å²	33	47 Å²	47	23%	0.231	23%	0.232	C	C	.	.	H	α-helix	trans	-65.5	-44.1	-179.6	47.7	0	0	0	0	112.3	K195 F199 E200 L201	K195-S197 PolarHBondContact O-N 2.74Å; S197-F199 VanDerWaalsContact C-N 3.3Å; S197-F199 PolarHBondContact O-N 2.86Å; S197-E200 PolarHBondContact O-N 3Å; S197-E200 VanDerWaalsContact O-N 3.16Å; S197-L201 WeakPolarHBondContact O-CB 3.41Å; S197-L201 PolarHBondContact O-N 3.37Å
198	N	83.8	Confident	82.6	Confident	8 Å²	8	43.9 Å²	43.9	4%	0.043	22%	0.216	C	C	.	.	H	α-helix	trans	-59.8	-37.5	174.6	-67.7	5.9	0	0	0	112.5	G192 K195 L202 F590 Y655	G192-N198 WeakPolarHBondContact O-CB 3.48Å; G192-N198 PolarHBondContact O-ND2 2.66Å; K195-N198 HydrophobicContact CB-CB 4.01Å; K195-N198 PolarHBondContact O-N 2.94Å; N198-L202 PolarHBondContact O-N 3.27Å; N198-F590 HydrophobicContact CB-CE2 4.27Å; N198-F590 HydrophobicContact CB-CZ 3.78Å; N198-Y655 PolarHBondContact ND2-OH 3.05Å; N198-Y655 PolarHBondContact OD1-OH 3.14Å
199	F	88.8	Confident	82.8	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-73.2	-40	173.3	-165.8	-78.4	0	0	0	112.2	K195 K196 S197 L201 L202 E203 L208 R226 I229 Q230	K195-F199 PolarHBondContact O-N 3.4Å; K196-F199 PolarHBondContact O-N 3.28Å; S197-F199 VanDerWaalsContact C-N 3.3Å; S197-F199 PolarHBondContact O-N 2.86Å; F199-L201 VanDerWaalsContact C-N 3.27Å; F199-L201 PolarHBondContact O-N 3.42Å; F199-L202 HydrophobicContact CE2-CD2 4.49Å; F199-L202 WeakPolarHBondContact O-CB 3.4Å; F199-L202 PolarHBondContact O-N 3.47Å; F199-L202 VanDerWaalsContact O-N 3.11Å; F199-E203 HydrophobicContact CD1-CB 4.07Å; F199-E203 HydrophobicContact CE1-CB 3.88Å; F199-E203 HydrophobicContact CE1-CG 4.25Å; F199-E203 WeakPolarHBondContact O-CB 3.5Å; F199-E203 PolarHBondContact O-N 3.4Å; F199-L208 HydrophobicContact CZ-CD2 4.41Å; F199-R226 HydrophobicContact CD1-CB 4.26Å; F199-R226 HydrophobicContact CD1-CG 3.58Å; F199-R226 VanDerWaalsContact CD1-NE 3.27Å; F199-R226 HydrophobicContact CD2-CG 3.93Å; F199-R226 HydrophobicContact CE1-CB 3.73Å; F199-R226 HydrophobicContact CE1-CG 3.55Å; F199-R226 HydrophobicContact CE2-CB 4.36Å; F199-R226 HydrophobicContact CE2-CG 3.9Å; F199-R226 HydrophobicContact CG-CG 3.79Å; F199-R226 HydrophobicContact CZ-CB 3.8Å; F199-R226 HydrophobicContact CZ-CG 3.73Å; F199-I229 HydrophobicContact CE2-CB 4.04Å; F199-I229 HydrophobicContact CE2-CD1 4.39Å; F199-I229 HydrophobicContact CE2-CG2 3.85Å; F199-I229 HydrophobicContact CZ-CB 4.45Å; F199-I229 HydrophobicContact CZ-CD1 4.02Å; F199-Q230 HydrophobicContact CD2-CG 4.26Å
200	E	83.8	Confident	83	Confident	39 Å²	39	48.5 Å²	48.5	18%	0.182	24%	0.24	C	C	.	.	H	α-helix	trans	-69.3	-25.6	-179.8	-78.3	172.9	-160.3	0	0	112.8	K196 S197 K204 R226	K196-E200 VanDerWaalsContact CE-CD 3.47Å; K196-E200 WeakPolarHBondContact CE-OE1 3.48Å; K196-E200 WeakPolarHBondContact CE-OE2 3.47Å; K196-E200 WeakPolarHBondContact CG-OE1 3.44Å; K196-E200 IonicContact NZ-OE2 2.62Å; K196-E200 WeakPolarHBondContact O-CB 3.38Å; K196-E200 WeakPolarHBondContact O-CG 3.48Å; K196-E200 PolarHBondContact O-N 2.98Å; S197-E200 PolarHBondContact O-N 3Å; S197-E200 VanDerWaalsContact O-N 3.16Å; E200-K204 VanDerWaalsContact O-CB 3.28Å; E200-K204 WeakPolarHBondContact O-CB 3.31Å; E200-K204 WeakPolarHBondContact O-CG 3.5Å; E200-K204 PolarHBondContact O-N 3.18Å; E200-K204 IonicContact OE2-NZ 3.6Å; E200-R226 IonicContact OE1-CZ 2.76Å; E200-R226 VanDerWaalsContact OE1-CZ 3.3Å; E200-R226 IonicContact OE1-NH1 2.68Å; E200-R226 PolarHBondContact OE1-NH1 3.17Å; E200-R226 IonicContact OE1-NH2 2.55Å; E200-R226 PolarHBondContact OE1-NH2 3.47Å
201	L	76.8	Confident	83.3	Confident	18 Å²	18	46.8 Å²	46.8	9%	0.094	23%	0.226	C	C	.	.	H	α-helix	trans	-59.7	-53.1	164.2	-178.6	72.9	0	0	0	111.3	S197 F199 E203 E205 V206 F590 R592	S197-L201 WeakPolarHBondContact O-CB 3.41Å; S197-L201 PolarHBondContact O-N 3.37Å; F199-L201 VanDerWaalsContact C-N 3.27Å; F199-L201 PolarHBondContact O-N 3.42Å; L201-E203 VanDerWaalsContact C-N 3.33Å; L201-E203 PolarHBondContact O-N 3.4Å; L201-E205 HydrophobicContact CD1-CB 4.36Å; L201-E205 HydrophobicContact CD1-CG 4.37Å; L201-E205 WeakPolarHBondContact CD1-OE2 3.33Å; L201-E205 WeakPolarHBondContact O-CB 3.45Å; L201-E205 PolarHBondContact O-N 2.59Å; L201-V206 PolarHBondContact O-N 2.73Å; L201-F590 HydrophobicContact CD2-CB 3.94Å; L201-F590 HydrophobicContact CD2-CD1 3.96Å; L201-F590 HydrophobicContact CD2-CD2 3.27Å; L201-F590 HydrophobicContact CD2-CE1 4.34Å; L201-F590 HydrophobicContact CD2-CE2 3.72Å; L201-F590 HydrophobicContact CD2-CG 3.43Å; L201-F590 VanDerWaalsContact CD2-CG 3.43Å; L201-F590 HydrophobicContact CD2-CZ 4.24Å; L201-R592 VanDerWaalsContact CD1-NH1 3.35Å
202	L	82.6	Confident	83.7	Confident	5 Å²	5	41 Å²	41	3%	0.026	20%	0.2	C	C	.	.	I	π-helix	trans	-60	-42.5	178.3	-172	74.2	0	0	0	112	I181 Y185 L193 N198 F199 V206 G207 L208 F211	I181-L202 HydrophobicContact CD1-CD2 3.97Å; Y185-L202 HydrophobicContact CE2-CD1 3.91Å; L193-L202 HydrophobicContact CD2-CD2 4.27Å; N198-L202 PolarHBondContact O-N 3.27Å; F199-L202 HydrophobicContact CE2-CD2 4.49Å; F199-L202 WeakPolarHBondContact O-CB 3.4Å; F199-L202 PolarHBondContact O-N 3.47Å; F199-L202 VanDerWaalsContact O-N 3.11Å; L202-V206 HydrophobicContact CD1-CB 4.21Å; L202-V206 HydrophobicContact CD1-CG1 4.35Å; L202-V206 HydrophobicContact CD1-CG2 4.27Å; L202-G207 PolarHBondContact O-N 2.69Å; L202-L208 HydrophobicContact CD2-CD2 4.12Å; L202-L208 HydrophobicContact CG-CD2 4.09Å; L202-F211 HydrophobicContact CD1-CD2 4.13Å; L202-F211 HydrophobicContact CD1-CE2 3.53Å; L202-F211 HydrophobicContact CD1-CZ 4.08Å
203	E	83.6	Confident	84.1	Confident	44 Å²	44	41.3 Å²	41.3	21%	0.206	20%	0.203	C	C	.	.	I	π-helix	trans	-74.9	-35	-175.1	-172.7	172.9	-140.3	0	0	113.7	F199 L201 L208 R226	F199-E203 HydrophobicContact CD1-CB 4.07Å; F199-E203 HydrophobicContact CE1-CB 3.88Å; F199-E203 HydrophobicContact CE1-CG 4.25Å; F199-E203 WeakPolarHBondContact O-CB 3.5Å; F199-E203 PolarHBondContact O-N 3.4Å; L201-E203 VanDerWaalsContact C-N 3.33Å; L201-E203 PolarHBondContact O-N 3.4Å; E203-L208 HydrophobicContact CG-CD1 4.16Å; E203-R226 IonicContact OE2-CZ 2.69Å; E203-R226 IonicContact OE2-NE 2.83Å; E203-R226 IonicContact OE2-NH2 2.99Å; E203-R226 PolarHBondContact OE2-NH2 3.46Å
204	K	77.1	Confident	84.2	Confident	152 Å²	152	45.5 Å²	45.5	66%	0.661	22%	0.222	S	C	*	.	I	π-helix	trans	-103.2	-34.6	-173.9	-62.3	175	-177.3	168.6	0	114.8	E200	E200-K204 VanDerWaalsContact O-CB 3.28Å; E200-K204 WeakPolarHBondContact O-CB 3.31Å; E200-K204 WeakPolarHBondContact O-CG 3.5Å; E200-K204 PolarHBondContact O-N 3.18Å; E200-K204 IonicContact OE2-NZ 3.6Å
205	E	69.3	Low	84.3	Confident	80 Å²	80	46.1 Å²	46.1	37%	0.374	23%	0.225	S	C	.	.	I	π-helix	trans	-115.3	-17.6	-169.7	-57.2	-175.6	-168.1	0	0	114.3	L201 Y570 R592	L201-E205 HydrophobicContact CD1-CB 4.36Å; L201-E205 HydrophobicContact CD1-CG 4.37Å; L201-E205 WeakPolarHBondContact CD1-OE2 3.33Å; L201-E205 WeakPolarHBondContact O-CB 3.45Å; L201-E205 PolarHBondContact O-N 2.59Å; E205-Y570 HydrophobicContact CB-CE1 4Å; E205-R592 VanDerWaalsContact CD-CZ 3.41Å; E205-R592 VanDerWaalsContact CD-NH2 3.27Å; E205-R592 IonicContact OE1-CZ 3.69Å; E205-R592 IonicContact OE1-NH1 2.72Å; E205-R592 PolarHBondContact OE1-NH1 2.82Å; E205-R592 IonicContact OE1-NH2 3.83Å; E205-R592 PolarHBondContact OE1-NH2 3.3Å; E205-R592 IonicContact OE2-CZ 3.6Å; E205-R592 IonicContact OE2-NE 3.07Å; E205-R592 PolarHBondContact OE2-NE 2.88Å; E205-R592 IonicContact OE2-NH1 2.78Å; E205-R592 PolarHBondContact OE2-NH1 2.85Å; E205-R592 IonicContact OE2-NH2 3.82Å; E205-R592 PolarHBondContact OE2-NH2 2.85Å
206	V	77.6	Confident	84.8	Confident	22 Å²	22	43.6 Å²	43.6	13%	0.133	21%	0.214	C	C	.	.	I	π-helix	trans	-98.4	-31.2	174.1	-167.5	0	0	0	0	111.2	Y185 L201 L202 L210 F211	Y185-V206 WeakPolarHBondContact OH-CG1 3.3Å; Y185-V206 VanDerWaalsContact OH-CG2 3.29Å; Y185-V206 WeakPolarHBondContact OH-CG2 3.37Å; L201-V206 PolarHBondContact O-N 2.73Å; L202-V206 HydrophobicContact CD1-CB 4.21Å; L202-V206 HydrophobicContact CD1-CG1 4.35Å; L202-V206 HydrophobicContact CD1-CG2 4.27Å; V206-L210 HydrophobicContact CG1-CD2 3.92Å; V206-F211 HydrophobicContact CB-CE2 4.49Å; V206-F211 HydrophobicContact CG1-CE2 3.63Å; V206-F211 HydrophobicContact CG1-CZ 4Å
207	G	82	Confident	85.2	Confident	14 Å²	14	38.4 Å²	38.4	14%	0.144	19%	0.192	C	C	.	.			trans	82.2	130.6	-168.4	0	0	0	0	0	111.4	L202 D209	L202-G207 PolarHBondContact O-N 2.69Å; G207-D209 VanDerWaalsContact C-N 3.27Å; G207-D209 WeakPolarHBondContact CA-OD1 3.46Å
208	L	88.8	Confident	85.7	Confident	12 Å²	12	42.4 Å²	42.4	6%	0.063	21%	0.211	C	C	.	.	S	Bend	trans	-74.2	-23.6	171.4	-67.5	-178.7	0	0	0	111.7	F199 L202 E203 L210 F211 F212 I217 L225 I229	F199-L208 HydrophobicContact CZ-CD2 4.41Å; L202-L208 HydrophobicContact CD2-CD2 4.12Å; L202-L208 HydrophobicContact CG-CD2 4.09Å; E203-L208 HydrophobicContact CG-CD1 4.16Å; L208-L210 PolarHBondContact O-N 3Å; L208-F211 PolarHBondContact O-N 3.34Å; L208-F212 HydrophobicContact CB-CD2 4.25Å; L208-F212 HydrophobicContact CD2-CD2 4.44Å; L208-F212 HydrophobicContact CD2-CE2 4.35Å; L208-F212 WeakPolarHBondContact O-CD2 3.29Å; L208-F212 PolarHBondContact O-N 3.1Å; L208-I217 HydrophobicContact CB-CD1 3.79Å; L208-I217 HydrophobicContact CB-CG1 4.2Å; L208-L225 HydrophobicContact CD1-CD2 3.94Å; L208-I229 HydrophobicContact CD1-CD1 4.48Å; L208-I229 HydrophobicContact CD2-CD1 4.37Å
209	D	87.5	Confident	86	Confident	90 Å²	90	45.4 Å²	45.4	48%	0.481	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-25.3	178.1	56.7	-66	0	0	0	113.4	M161 G207 F211 F212 I217	M161-D209 WeakPolarHBondContact CE-O 3.25Å; G207-D209 VanDerWaalsContact C-N 3.27Å; G207-D209 WeakPolarHBondContact CA-OD1 3.46Å; D209-F211 PolarHBondContact O-N 3.46Å; D209-F212 WeakPolarHBondContact CA-O 3.26Å; D209-I217 HydrophobicContact CB-CD1 4.06Å
210	L	86.1	Confident	86.1	Confident	43 Å²	43	47.1 Å²	47.1	23%	0.225	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.4	169.9	-177.2	60.5	0	0	0	112.6	R157 V206 L208	R157-L210 PolarHBondContact NH2-O 2.87Å; V206-L210 HydrophobicContact CG1-CD2 3.92Å; L208-L210 PolarHBondContact O-N 3Å
211	F	91.7	Very high	86.6	Confident	3 Å²	3	52.8 Å²	52.8	1%	0.013	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-27.1	-173.4	-55	-78.6	0	0	0	113.8	G177 E180 I181 F184 Y185 L202 V206 L208 D209	G177-F211 WeakPolarHBondContact CA-O 3.13Å; E180-F211 HydrophobicContact CB-CD1 4.18Å; E180-F211 HydrophobicContact CG-CD1 3.68Å; E180-F211 HydrophobicContact CG-CE1 3.95Å; I181-F211 HydrophobicContact CB-CD1 4.37Å; I181-F211 HydrophobicContact CD1-CB 4.18Å; I181-F211 HydrophobicContact CD1-CD1 4.43Å; I181-F211 HydrophobicContact CD1-CG 4.14Å; I181-F211 HydrophobicContact CG1-CB 4Å; I181-F211 HydrophobicContact CG1-CD1 3.38Å; I181-F211 HydrophobicContact CG1-CD2 4.09Å; I181-F211 HydrophobicContact CG1-CE1 3.81Å; I181-F211 HydrophobicContact CG1-CE2 4.46Å; I181-F211 HydrophobicContact CG1-CG 3.54Å; I181-F211 HydrophobicContact CG1-CZ 4.33Å; F184-F211 HydrophobicContact CB-CE1 4.18Å; F184-F211 HydrophobicContact CD2-CE1 4.48Å; F184-F211 HydrophobicContact CG-CE1 4.22Å; F184-F211 HydrophobicContact CG-CZ 4.47Å; Y185-F211 AromaticContact CE2-CZ 3.92Å; Y185-F211 HydrophobicContact CE2-CZ 3.92Å; L202-F211 HydrophobicContact CD1-CD2 4.13Å; L202-F211 HydrophobicContact CD1-CE2 3.53Å; L202-F211 HydrophobicContact CD1-CZ 4.08Å; V206-F211 HydrophobicContact CB-CE2 4.49Å; V206-F211 HydrophobicContact CG1-CE2 3.63Å; V206-F211 HydrophobicContact CG1-CZ 4Å; L208-F211 PolarHBondContact O-N 3.34Å; D209-F211 PolarHBondContact O-N 3.46Å
212	F	93.4	Very high	87.3	Confident	1 Å²	1	55.9 Å²	55.9	0%	0.004	29%	0.287	C	S	.	.	S	Bend	trans	-132.8	145.3	-171.5	-56.4	-72.3	0	0	0	111.2	L174 I181 L208 D209 L216 I217 I229	L174-F212 HydrophobicContact CD2-CE1 4.34Å; I181-F212 HydrophobicContact CD1-CE2 3.67Å; I181-F212 HydrophobicContact CD1-CZ 3.6Å; L208-F212 HydrophobicContact CB-CD2 4.25Å; L208-F212 HydrophobicContact CD2-CD2 4.44Å; L208-F212 HydrophobicContact CD2-CE2 4.35Å; L208-F212 WeakPolarHBondContact O-CD2 3.29Å; L208-F212 PolarHBondContact O-N 3.1Å; D209-F212 WeakPolarHBondContact CA-O 3.26Å; F212-L216 HydrophobicContact CB-CD2 4.2Å; F212-L216 HydrophobicContact CD1-CD2 3.97Å; F212-L216 HydrophobicContact CG-CD2 4.37Å; F212-I217 HydrophobicContact CB-CD1 4.28Å; F212-I217 HydrophobicContact CB-CG1 4.15Å; F212-I229 HydrophobicContact CD2-CD1 4.09Å; F212-I229 HydrophobicContact CE1-CG1 4.33Å; F212-I229 HydrophobicContact CE2-CD1 3.47Å; F212-I229 VanDerWaalsContact CE2-CD1 3.47Å; F212-I229 HydrophobicContact CE2-CG1 3.91Å; F212-I229 HydrophobicContact CE2-CG2 4.37Å; F212-I229 HydrophobicContact CZ-CB 4.49Å; F212-I229 HydrophobicContact CZ-CD1 3.8Å; F212-I229 HydrophobicContact CZ-CG1 3.67Å; F212-I229 HydrophobicContact CZ-CG2 4.04Å
213	P	92.4	Very high	87.7	Confident	8 Å²	8	64.6 Å²	64.6	5%	0.052	32%	0.324	C	S	.	.			trans	-62.9	141.9	175	24.7	-32.4	0	0	0	111.6	A165 A173 Q215 L216 I217	A165-P213 HydrophobicContact CB-CB 3.89Å; A165-P213 HydrophobicContact CB-CG 4.24Å; A165-P213 WeakPolarHBondContact O-CB 3.46Å; A165-P213 WeakPolarHBondContact O-CG 3.48Å; A173-P213 HydrophobicContact CB-CG 3.87Å; P213-Q215 PolarHBondContact O-N 3.47Å; P213-L216 HydrophobicContact CG-CB 3.96Å; P213-L216 WeakPolarHBondContact O-CB 3.39Å; P213-L216 PolarHBondContact O-N 3.4Å; P213-I217 PolarHBondContact O-N 3.03Å
214	Q	89.9	Confident	88.3	Confident	91 Å²	91	67.4 Å²	67.4	43%	0.425	34%	0.338	S	S	.	.	H	α-helix	trans	-55.8	-29	179.5	-164.3	66.2	52.2	0	0	112.9	I217 N218	Q214-I217 PolarHBondContact O-N 2.96Å; Q214-N218 PolarHBondContact NE2-OD1 2.7Å; Q214-N218 VanDerWaalsContact O-CB 3.27Å; Q214-N218 WeakPolarHBondContact O-CB 3.35Å; Q214-N218 PolarHBondContact O-N 3.37Å; Q214-N218 PolarHBondContact O-OD1 3.24Å
215	Q	89.6	Confident	89.1	Confident	111 Å²	111	60.3 Å²	60.3	52%	0.519	31%	0.307	S	S	.	.	H	α-helix	trans	-60.1	-45	174.5	-66.5	77.6	5.4	0	0	112.1	P213 N218 S219	P213-Q215 PolarHBondContact O-N 3.47Å; Q215-N218 PolarHBondContact O-N 3.4Å; Q215-S219 VanDerWaalsContact O-CB 3.27Å; Q215-S219 WeakPolarHBondContact O-CB 3.46Å; Q215-S219 PolarHBondContact O-N 2.98Å; Q215-S219 PolarHBondContact O-OG 2.87Å
216	L	92.4	Very high	90.3	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-70.3	-35.1	177.3	172.1	62.4	0	0	0	111.9	D170 A173 L174 F212 P213 S219 M220 L225 M228	D170-L216 HydrophobicContact CB-CD1 3.83Å; A173-L216 HydrophobicContact CB-CD2 3.79Å; L174-L216 HydrophobicContact CD2-CD2 3.97Å; L174-L216 HydrophobicContact CG-CD1 4.4Å; L174-L216 HydrophobicContact CG-CD2 3.86Å; F212-L216 HydrophobicContact CB-CD2 4.2Å; F212-L216 HydrophobicContact CD1-CD2 3.97Å; F212-L216 HydrophobicContact CG-CD2 4.37Å; P213-L216 HydrophobicContact CG-CB 3.96Å; P213-L216 WeakPolarHBondContact O-CB 3.39Å; P213-L216 PolarHBondContact O-N 3.4Å; L216-S219 PolarHBondContact O-OG 2.71Å; L216-M220 HydrophobicContact CD1-CE 4.18Å; L216-L225 HydrophobicContact CD1-CD1 4.41Å; L216-L225 HydrophobicContact CG-CD1 4.26Å; L216-M228 HydrophobicContact CD1-CE 4.49Å
217	I	91.9	Very high	91.1	Very high	32 Å²	32	63.7 Å²	63.7	16%	0.164	32%	0.317	C	S	.	.	H	α-helix	trans	-67.4	-42.6	176.9	-60.8	168.4	0	0	0	110	L208 D209 F212 P213 Q214 L225	L208-I217 HydrophobicContact CB-CD1 3.79Å; L208-I217 HydrophobicContact CB-CG1 4.2Å; D209-I217 HydrophobicContact CB-CD1 4.06Å; F212-I217 HydrophobicContact CB-CD1 4.28Å; F212-I217 HydrophobicContact CB-CG1 4.15Å; P213-I217 PolarHBondContact O-N 3.03Å; Q214-I217 PolarHBondContact O-N 2.96Å; I217-L225 HydrophobicContact CB-CD2 4.45Å; I217-L225 HydrophobicContact CG1-CD2 4.43Å; I217-L225 HydrophobicContact CG2-CD2 4.38Å
218	N	90.8	Very high	91.7	Very high	118 Å²	118	64.8 Å²	64.8	63%	0.631	32%	0.319	S	S	*	.	H	α-helix	trans	-80.6	-23.2	-177.9	-67.5	2.8	0	0	0	113.6	Q214 Q215 M220	Q214-N218 PolarHBondContact NE2-OD1 2.7Å; Q214-N218 VanDerWaalsContact O-CB 3.27Å; Q214-N218 WeakPolarHBondContact O-CB 3.35Å; Q214-N218 PolarHBondContact O-N 3.37Å; Q214-N218 PolarHBondContact O-OD1 3.24Å; Q215-N218 PolarHBondContact O-N 3.4Å; N218-M220 VanDerWaalsContact C-N 3.29Å; N218-M220 PolarHBondContact O-N 2.79Å
219	S	90.9	Very high	92.1	Very high	71 Å²	71	64.2 Å²	64.2	50%	0.497	32%	0.316	S	S	.	.	H	α-helix	trans	-73.5	-18.7	-178.2	69	0	0	0	0	113.6	Q215 L216	Q215-S219 VanDerWaalsContact O-CB 3.27Å; Q215-S219 WeakPolarHBondContact O-CB 3.46Å; Q215-S219 PolarHBondContact O-N 2.98Å; Q215-S219 PolarHBondContact O-OG 2.87Å; L216-S219 PolarHBondContact O-OG 2.71Å
220	M	91.2	Very high	92.4	Very high	36 Å²	36	62.3 Å²	62.3	18%	0.177	30%	0.304	C	S	.	.	S	Bend	trans	-128.9	150.8	-169.6	-55	-136.8	-167.4	0	0	113.4	D170 L216 N218 Q224 L225 M228	D170-M220 HydrophobicContact CB-CE 4.32Å; D170-M220 WeakPolarHBondContact OD2-CE 3.43Å; L216-M220 HydrophobicContact CD1-CE 4.18Å; N218-M220 VanDerWaalsContact C-N 3.29Å; N218-M220 PolarHBondContact O-N 2.79Å; M220-Q224 HydrophobicContact SD-CG 4.27Å; M220-Q224 PolarHBondContact SD-NE2 2.68Å; M220-Q224 VanDerWaalsContact SD-NE2 3.36Å; M220-L225 HydrophobicContact CB-CB 4.34Å; M220-M228 HydrophobicContact CE-CE 3.63Å; M220-M228 HydrophobicContact CE-SD 4.12Å; M220-M228 HydrophobicContact CG-CE 4.35Å; M220-M228 HydrophobicContact SD-CE 3.22Å; M220-M228 WeakPolarHBondContact SD-CE 3.34Å; M220-M228 HydrophobicContact SD-SD 3.77Å
221	K	93.2	Very high	92.8	Very high	158 Å²	158	65.8 Å²	65.8	69%	0.687	32%	0.319	S	S	*	.			trans	-68.4	137.9	174.2	-66.8	177.8	-179.8	175.1	0	109.6	K223 Q224 L225	K221-K223 VanDerWaalsContact C-N 3.3Å; K221-K223 PolarHBondContact O-N 3.46Å; K221-K223 VanDerWaalsContact O-N 3.1Å; K221-Q224 WeakPolarHBondContact O-CA 3.43Å; K221-Q224 WeakPolarHBondContact O-CB 3.16Å; K221-Q224 PolarHBondContact O-N 2.74Å; K221-L225 PolarHBondContact O-N 3.13Å
222	P	91.6	Very high	93.1	Very high	83 Å²	83	66.6 Å²	66.6	54%	0.539	33%	0.325	S	S	.	.	H	α-helix	trans	-52	-40.9	-175.2	-31.9	35.9	0	0	0	115.1	Q224 L225 R226	P222-Q224 VanDerWaalsContact C-N 3.29Å; P222-Q224 PolarHBondContact O-N 3.49Å; P222-L225 PolarHBondContact O-N 3.33Å; P222-R226 VanDerWaalsContact O-CB 3.26Å; P222-R226 WeakPolarHBondContact O-CB 3.13Å; P222-R226 PolarHBondContact O-N 3.02Å
223	K	91.7	Very high	93.2	Very high	187 Å²	187	66.7 Å²	66.7	81%	0.813	33%	0.325	S	S	*	.	H	α-helix	trans	-62.3	-30.9	175.4	-68.1	-174	178.1	-178.4	0	114	K221 K227	K221-K223 VanDerWaalsContact C-N 3.3Å; K221-K223 PolarHBondContact O-N 3.46Å; K221-K223 VanDerWaalsContact O-N 3.1Å; K223-K227 PolarHBondContact O-N 3.16Å
224	Q	94.5	Very high	93.3	Very high	104 Å²	104	69.9 Å²	69.9	49%	0.486	34%	0.339	S	S	.	.	H	α-helix	trans	-78.1	-48.1	175.9	175.6	178.4	-16.8	0	0	110.3	M220 K221 P222 R226 K227 M228	M220-Q224 HydrophobicContact SD-CG 4.27Å; M220-Q224 PolarHBondContact SD-NE2 2.68Å; M220-Q224 VanDerWaalsContact SD-NE2 3.36Å; K221-Q224 WeakPolarHBondContact O-CA 3.43Å; K221-Q224 WeakPolarHBondContact O-CB 3.16Å; K221-Q224 PolarHBondContact O-N 2.74Å; P222-Q224 VanDerWaalsContact C-N 3.29Å; P222-Q224 PolarHBondContact O-N 3.49Å; Q224-R226 PolarHBondContact O-N 3.39Å; Q224-K227 PolarHBondContact O-N 2.92Å; Q224-K227 VanDerWaalsContact O-N 3.14Å; Q224-M228 WeakPolarHBondContact O-CG 3.46Å; Q224-M228 PolarHBondContact O-N 3.21Å
225	L	94.3	Very high	93.5	Very high	3 Å²	3	71.1 Å²	71.1	2%	0.016	35%	0.345	C	S	.	.	H	α-helix	trans	-56.8	-47.8	176.9	-177.5	60.4	0	0	0	111.6	L174 L208 L216 I217 M220 K221 P222 K227 M228 I229	L174-L225 HydrophobicContact CD2-CD1 4.28Å; L208-L225 HydrophobicContact CD1-CD2 3.94Å; L216-L225 HydrophobicContact CD1-CD1 4.41Å; L216-L225 HydrophobicContact CG-CD1 4.26Å; I217-L225 HydrophobicContact CB-CD2 4.45Å; I217-L225 HydrophobicContact CG1-CD2 4.43Å; I217-L225 HydrophobicContact CG2-CD2 4.38Å; M220-L225 HydrophobicContact CB-CB 4.34Å; K221-L225 PolarHBondContact O-N 3.13Å; P222-L225 PolarHBondContact O-N 3.33Å; L225-K227 VanDerWaalsContact C-N 3.34Å; L225-K227 PolarHBondContact O-N 3.1Å; L225-M228 HydrophobicContact CD1-CE 3.97Å; L225-M228 PolarHBondContact O-N 3.42Å; L225-I229 HydrophobicContact CD1-CD1 3.95Å; L225-I229 HydrophobicContact CD1-CG1 4.29Å; L225-I229 HydrophobicContact CG-CD1 3.79Å; L225-I229 WeakPolarHBondContact O-CG1 3.4Å; L225-I229 PolarHBondContact O-N 3.16Å
226	R	94.4	Very high	93.8	Very high	47 Å²	47	66.5 Å²	66.5	18%	0.177	32%	0.323	C	S	.	.	H	α-helix	trans	-51.3	-50	173	180	-179.6	-58.5	-169.1	7.3	112.2	F199 E200 E203 P222 Q224 M228 I229 Q230	F199-R226 HydrophobicContact CD1-CB 4.26Å; F199-R226 HydrophobicContact CD1-CG 3.58Å; F199-R226 VanDerWaalsContact CD1-NE 3.27Å; F199-R226 HydrophobicContact CD2-CG 3.93Å; F199-R226 HydrophobicContact CE1-CB 3.73Å; F199-R226 HydrophobicContact CE1-CG 3.55Å; F199-R226 HydrophobicContact CE2-CB 4.36Å; F199-R226 HydrophobicContact CE2-CG 3.9Å; F199-R226 HydrophobicContact CG-CG 3.79Å; F199-R226 HydrophobicContact CZ-CB 3.8Å; F199-R226 HydrophobicContact CZ-CG 3.73Å; E200-R226 IonicContact OE1-CZ 2.76Å; E200-R226 VanDerWaalsContact OE1-CZ 3.3Å; E200-R226 IonicContact OE1-NH1 2.68Å; E200-R226 PolarHBondContact OE1-NH1 3.17Å; E200-R226 IonicContact OE1-NH2 2.55Å; E200-R226 PolarHBondContact OE1-NH2 3.47Å; E203-R226 IonicContact OE2-CZ 2.69Å; E203-R226 IonicContact OE2-NE 2.83Å; E203-R226 IonicContact OE2-NH2 2.99Å; E203-R226 PolarHBondContact OE2-NH2 3.46Å; P222-R226 VanDerWaalsContact O-CB 3.26Å; P222-R226 WeakPolarHBondContact O-CB 3.13Å; P222-R226 PolarHBondContact O-N 3.02Å; Q224-R226 PolarHBondContact O-N 3.39Å; R226-M228 PolarHBondContact O-N 3.07Å; R226-I229 PolarHBondContact O-N 3.19Å; R226-Q230 WeakPolarHBondContact O-CB 3.5Å; R226-Q230 VanDerWaalsContact O-CG 3.28Å; R226-Q230 WeakPolarHBondContact O-CG 3.3Å; R226-Q230 PolarHBondContact O-N 2.96Å
227	K	94.5	Very high	93.7	Very high	125 Å²	125	66.6 Å²	66.6	54%	0.543	32%	0.324	S	S	.	.	H	α-helix	trans	-62.3	-42.9	179.9	-172.8	-177.9	176.6	-177.6	0	111.8	K223 Q224 L225 Q230 Q231	K223-K227 PolarHBondContact O-N 3.16Å; Q224-K227 PolarHBondContact O-N 2.92Å; Q224-K227 VanDerWaalsContact O-N 3.14Å; L225-K227 VanDerWaalsContact C-N 3.34Å; L225-K227 PolarHBondContact O-N 3.1Å; K227-Q230 PolarHBondContact O-N 3.49Å; K227-Q231 WeakPolarHBondContact O-CB 3.43Å; K227-Q231 VanDerWaalsContact O-CG 3.27Å; K227-Q231 WeakPolarHBondContact O-CG 3.29Å; K227-Q231 PolarHBondContact O-N 2.96Å
228	M	95.7	Very high	93.7	Very high	38 Å²	38	71 Å²	71	19%	0.187	35%	0.352	C	S	.	.	H	α-helix	trans	-64.4	-44.8	177.2	-64.7	-166.6	-47.9	0	0	112.2	L174 L216 M220 Q224 L225 R226 Q230 Q231 T232	L174-M228 HydrophobicContact CD1-CB 4.21Å; L174-M228 HydrophobicContact CD1-CE 3.64Å; L174-M228 HydrophobicContact CD1-SD 3.98Å; L174-M228 HydrophobicContact CD2-CB 4.24Å; L174-M228 HydrophobicContact CD2-CE 4.06Å; L174-M228 HydrophobicContact CG-CE 4.4Å; L216-M228 HydrophobicContact CD1-CE 4.49Å; M220-M228 HydrophobicContact CE-CE 3.63Å; M220-M228 HydrophobicContact CE-SD 4.12Å; M220-M228 HydrophobicContact CG-CE 4.35Å; M220-M228 HydrophobicContact SD-CE 3.22Å; M220-M228 WeakPolarHBondContact SD-CE 3.34Å; M220-M228 HydrophobicContact SD-SD 3.77Å; Q224-M228 WeakPolarHBondContact O-CG 3.46Å; Q224-M228 PolarHBondContact O-N 3.21Å; L225-M228 HydrophobicContact CD1-CE 3.97Å; L225-M228 PolarHBondContact O-N 3.42Å; R226-M228 PolarHBondContact O-N 3.07Å; M228-Q230 VanDerWaalsContact C-N 3.34Å; M228-Q230 PolarHBondContact O-N 2.96Å; M228-Q231 PolarHBondContact O-N 3.22Å; M228-T232 PolarHBondContact O-N 2.98Å; M228-T232 PolarHBondContact O-OG1 2.92Å
229	I	96.1	Very high	93.8	Very high	0 Å²	0	68 Å²	68	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-60.9	-45.1	177.9	-66.5	165.2	0	0	0	110	L174 I181 L193 F199 L208 F212 L225 R226 Q231 T232 F233	L174-I229 HydrophobicContact CD2-CG1 3.92Å; I181-I229 HydrophobicContact CD1-CG2 4.25Å; L193-I229 HydrophobicContact CD1-CG2 4.33Å; F199-I229 HydrophobicContact CE2-CB 4.04Å; F199-I229 HydrophobicContact CE2-CD1 4.39Å; F199-I229 HydrophobicContact CE2-CG2 3.85Å; F199-I229 HydrophobicContact CZ-CB 4.45Å; F199-I229 HydrophobicContact CZ-CD1 4.02Å; L208-I229 HydrophobicContact CD1-CD1 4.48Å; L208-I229 HydrophobicContact CD2-CD1 4.37Å; F212-I229 HydrophobicContact CD2-CD1 4.09Å; F212-I229 HydrophobicContact CE1-CG1 4.33Å; F212-I229 HydrophobicContact CE2-CD1 3.47Å; F212-I229 VanDerWaalsContact CE2-CD1 3.47Å; F212-I229 HydrophobicContact CE2-CG1 3.91Å; F212-I229 HydrophobicContact CE2-CG2 4.37Å; F212-I229 HydrophobicContact CZ-CB 4.49Å; F212-I229 HydrophobicContact CZ-CD1 3.8Å; F212-I229 HydrophobicContact CZ-CG1 3.67Å; F212-I229 HydrophobicContact CZ-CG2 4.04Å; L225-I229 HydrophobicContact CD1-CD1 3.95Å; L225-I229 HydrophobicContact CD1-CG1 4.29Å; L225-I229 HydrophobicContact CG-CD1 3.79Å; L225-I229 WeakPolarHBondContact O-CG1 3.4Å; L225-I229 PolarHBondContact O-N 3.16Å; R226-I229 PolarHBondContact O-N 3.19Å; I229-Q231 PolarHBondContact O-N 3.18Å; I229-T232 PolarHBondContact O-N 3.47Å; I229-F233 WeakPolarHBondContact O-CB 3.39Å; I229-F233 PolarHBondContact O-N 2.86Å
230	Q	94.9	Very high	93.8	Very high	49 Å²	49	72.9 Å²	72.9	23%	0.229	35%	0.348	C	S	.	.	H	α-helix	trans	-59.2	-43.7	174.7	-71.6	173.5	-40.2	0	0	112.4	L193 F199 R226 K227 M228 Q234	L193-Q230 WeakPolarHBondContact O-CG 3.43Å; L193-Q230 PolarHBondContact O-NE2 2.86Å; F199-Q230 HydrophobicContact CD2-CG 4.26Å; R226-Q230 WeakPolarHBondContact O-CB 3.5Å; R226-Q230 VanDerWaalsContact O-CG 3.28Å; R226-Q230 WeakPolarHBondContact O-CG 3.3Å; R226-Q230 PolarHBondContact O-N 2.96Å; K227-Q230 PolarHBondContact O-N 3.49Å; M228-Q230 VanDerWaalsContact C-N 3.34Å; M228-Q230 PolarHBondContact O-N 2.96Å; Q230-Q234 PolarHBondContact O-N 3.24Å
231	Q	94.9	Very high	93.6	Very high	117 Å²	117	72 Å²	72	55%	0.547	34%	0.343	S	S	.	.	H	α-helix	trans	-70	-39.2	-179.9	-73	-179.7	-60.1	0	0	113.4	K227 M228 I229	K227-Q231 WeakPolarHBondContact O-CB 3.43Å; K227-Q231 VanDerWaalsContact O-CG 3.27Å; K227-Q231 WeakPolarHBondContact O-CG 3.29Å; K227-Q231 PolarHBondContact O-N 2.96Å; M228-Q231 PolarHBondContact O-N 3.22Å; I229-Q231 PolarHBondContact O-N 3.18Å
232	T	96.1	Very high	93.4	Very high	20 Å²	20	66.5 Å²	66.5	12%	0.123	32%	0.322	C	S	.	.	H	α-helix	trans	-75.3	-38.7	177.1	-63.5	0	0	0	0	111.5	Q175 C178 M228 I229 Q234 Q235 Y236	Q175-T232 HydrophobicContact CG-CG2 4.1Å; C178-T232 HydrophobicContact CB-CG2 4Å; M228-T232 PolarHBondContact O-N 2.98Å; M228-T232 PolarHBondContact O-OG1 2.92Å; I229-T232 PolarHBondContact O-N 3.47Å; T232-Q234 VanDerWaalsContact C-N 3.27Å; T232-Q234 PolarHBondContact O-N 2.93Å; T232-Q235 WeakPolarHBondContact O-CB 3.41Å; T232-Q235 PolarHBondContact O-N 3.42Å; T232-Q235 VanDerWaalsContact O-N 3.07Å; T232-Y236 HydrophobicContact CG2-CE2 3.95Å
233	F	96	Very high	93.6	Very high	2 Å²	2	63.8 Å²	63.8	1%	0.009	31%	0.308	C	S	.	.	H	α-helix	trans	-58.4	-37.3	177.7	-177.4	-91.9	0	0	0	112.7	C178 I181 R182 M188 L193 I229 Q235 Y236 A237	C178-F233 HydrophobicContact CB-CB 4.46Å; I181-F233 HydrophobicContact CB-CD2 4.44Å; I181-F233 HydrophobicContact CB-CE2 4.34Å; I181-F233 HydrophobicContact CG2-CD2 4.24Å; I181-F233 HydrophobicContact CG2-CE2 3.93Å; R182-F233 HydrophobicContact CB-CE2 3.75Å; R182-F233 HydrophobicContact CB-CZ 4.3Å; M188-F233 HydrophobicContact CE-CE1 4.14Å; M188-F233 HydrophobicContact CE-CE2 4.03Å; M188-F233 HydrophobicContact CE-CZ 3.46Å; M188-F233 VanDerWaalsContact CE-CZ 3.46Å; L193-F233 HydrophobicContact CD1-CB 3.95Å; L193-F233 HydrophobicContact CD1-CD1 3.97Å; L193-F233 HydrophobicContact CD1-CD2 3.56Å; L193-F233 HydrophobicContact CD1-CE1 4.4Å; L193-F233 HydrophobicContact CD1-CE2 4.01Å; L193-F233 HydrophobicContact CD1-CG 3.54Å; L193-F233 HydrophobicContact CD1-CZ 4.42Å; L193-F233 HydrophobicContact CG-CD1 4.21Å; L193-F233 HydrophobicContact CG-CD2 4.44Å; L193-F233 HydrophobicContact CG-CE1 4.32Å; L193-F233 HydrophobicContact CG-CG 4.27Å; L193-F233 HydrophobicContact CG-CZ 4.49Å; I229-F233 WeakPolarHBondContact O-CB 3.39Å; I229-F233 PolarHBondContact O-N 2.86Å; F233-Q235 PolarHBondContact O-N 2.79Å; F233-Q235 VanDerWaalsContact O-N 3.11Å; F233-Y236 CarbonylContact O-C 3.49Å; F233-Y236 PolarHBondContact O-N 3.17Å; F233-A237 HydrophobicContact CD1-CB 4.09Å; F233-A237 HydrophobicContact CE1-CB 3.84Å; F233-A237 PolarHBondContact O-N 3.25Å
234	Q	93.9	Very high	93.8	Very high	75 Å²	75	54.9 Å²	54.9	35%	0.35	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.7	177.9	-76.6	-67.1	11.5	0	0	114.1	E194 Q230 T232 Y236	E194-Q234 PolarHBondContact OE1-NE2 3.37Å; Q230-Q234 PolarHBondContact O-N 3.24Å; T232-Q234 VanDerWaalsContact C-N 3.27Å; T232-Q234 PolarHBondContact O-N 2.93Å; Q234-Y236 PolarHBondContact O-N 3.08Å
235	Q	94.9	Very high	93.8	Very high	118 Å²	118	50 Å²	50	55%	0.551	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-21.2	173.4	-55.3	177.9	25.6	0	0	112.8	T232 F233	T232-Q235 WeakPolarHBondContact O-CB 3.41Å; T232-Q235 PolarHBondContact O-N 3.42Å; T232-Q235 VanDerWaalsContact O-N 3.07Å; F233-Q235 PolarHBondContact O-N 2.79Å; F233-Q235 VanDerWaalsContact O-N 3.11Å
236	Y	95.5	Very high	93.9	Very high	14 Å²	14	52.1 Å²	52.1	6%	0.055	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-4.6	-174.8	-50.9	-48.6	0	0	0	113.1	Q175 C178 L179 R182 T232 F233 Q234 T238 L239 K247	Q175-Y236 HydrophobicContact CB-CE2 4.34Å; Q175-Y236 HydrophobicContact CG-CE2 4.42Å; Q175-Y236 VanDerWaalsContact CG-OH 3.27Å; Q175-Y236 WeakPolarHBondContact CG-OH 3.35Å; Q175-Y236 PolarHBondContact NE2-OH 2.74Å; C178-Y236 HydrophobicContact CB-CD2 3.94Å; C178-Y236 HydrophobicContact CB-CE2 4.25Å; L179-Y236 HydrophobicContact CD2-CD1 3.66Å; L179-Y236 HydrophobicContact CD2-CD2 3.85Å; L179-Y236 HydrophobicContact CD2-CE1 4.07Å; L179-Y236 HydrophobicContact CD2-CE2 4.23Å; L179-Y236 HydrophobicContact CD2-CG 3.55Å; L179-Y236 HydrophobicContact CG-CD1 4.39Å; L179-Y236 HydrophobicContact CG-CD2 3.85Å; L179-Y236 HydrophobicContact CG-CE1 4.45Å; L179-Y236 HydrophobicContact CG-CE2 3.91Å; L179-Y236 HydrophobicContact CG-CG 4.1Å; R182-Y236 WeakPolarHBondContact CD-O 3.49Å; R182-Y236 WeakPolarHBondContact CG-O 3.23Å; T232-Y236 HydrophobicContact CG2-CE2 3.95Å; F233-Y236 CarbonylContact O-C 3.49Å; F233-Y236 PolarHBondContact O-N 3.17Å; Q234-Y236 PolarHBondContact O-N 3.08Å; Y236-T238 PolarHBondContact O-N 2.99Å; Y236-L239 HydrophobicContact CD1-CD1 3.89Å; Y236-L239 HydrophobicContact CG-CD1 4.36Å; Y236-L239 WeakPolarHBondContact O-CB 3.16Å; Y236-L239 PolarHBondContact O-N 3.3Å; Y236-K247 HydrophobicContact CE1-CG 4.29Å
237	A	91.1	Very high	94	Very high	2 Å²	2	53.6 Å²	53.6	2%	0.017	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-23.9	-169.1	0	0	0	0	0	115.3	R182 A190 F233	R182-A237 WeakPolarHBondContact CD-O 3.26Å; R182-A237 PolarHBondContact NH1-O 2.88Å; A190-A237 HydrophobicContact CB-CB 3.92Å; A190-A237 WeakPolarHBondContact O-CB 3.4Å; F233-A237 HydrophobicContact CD1-CB 4.09Å; F233-A237 HydrophobicContact CE1-CB 3.84Å; F233-A237 PolarHBondContact O-N 3.25Å
238	T	91.7	Very high	94.2	Very high	123 Å²	123	47.8 Å²	47.8	76%	0.755	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-4.6	177.9	53.7	0	0	0	0	114.5	Y236	Y236-T238 PolarHBondContact O-N 2.99Å
239	L	93.7	Very high	94.2	Very high	55 Å²	55	46.1 Å²	46.1	29%	0.288	23%	0.232	S	C	.	.			trans	-72.2	139	179.1	-63	-177.5	0	0	0	111.4	L179 R182 Y236 C244 K247	L179-L239 HydrophobicContact CD2-CD1 4.04Å; R182-L239 HydrophobicContact CG-CB 4.45Å; Y236-L239 HydrophobicContact CD1-CD1 3.89Å; Y236-L239 HydrophobicContact CG-CD1 4.36Å; Y236-L239 WeakPolarHBondContact O-CB 3.16Å; Y236-L239 PolarHBondContact O-N 3.3Å; L239-C244 VanDerWaalsContact CB-SG 3.58Å; L239-K247 HydrophobicContact CD1-CB 4.47Å
240	K	89	Confident	94.2	Very high	174 Å²	174	50.5 Å²	50.5	76%	0.757	25%	0.252	S	S	*	.			trans	-81.3	158.9	167.7	-61.6	-175.4	179.7	-176.4	0	110.2	D242 G243 C244	K240-D242 VanDerWaalsContact C-N 3.29Å; K240-D242 PolarHBondContact O-N 3.31Å; K240-D242 VanDerWaalsContact O-N 3.11Å; K240-G243 WeakPolarHBondContact O-CA 3.47Å; K240-G243 PolarHBondContact O-N 2.94Å; K240-C244 PolarHBondContact O-N 2.92Å; K240-C244 PolarHBondContact O-SG 2.86Å
241	E	87.6	Confident	94.3	Very high	17 Å²	17	48.9 Å²	48.9	8%	0.079	25%	0.246	C	C	.	.	H	α-helix	trans	-36.8	-54.3	178.6	175.6	163	-119.1	0	0	113.5	R146 R183 K186 G243 C244 M245	R146-E241 IonicContact CZ-OE2 3.69Å; R146-E241 IonicContact NH2-OE2 3.79Å; R146-E241 PolarHBondContact NH2-OE2 3.13Å; R183-E241 HydrophobicContact CG-CB 4.3Å; R183-E241 HydrophobicContact CG-CG 3.8Å; R183-E241 IonicContact NH1-OE1 2.78Å; K186-E241 HydrophobicContact CD-CB 4.47Å; K186-E241 IonicContact NZ-OE1 3.72Å; K186-E241 PolarHBondContact NZ-OE1 2.84Å; K186-E241 IonicContact NZ-OE2 3.52Å; K186-E241 PolarHBondContact NZ-OE2 2.81Å; E241-G243 PolarHBondContact O-N 2.93Å; E241-C244 WeakPolarHBondContact O-CB 3.49Å; E241-C244 PolarHBondContact O-N 3.12Å; E241-M245 HydrophobicContact CG-CE 4.14Å; E241-M245 WeakPolarHBondContact O-CG 3.26Å; E241-M245 PolarHBondContact O-N 3.12Å
242	D	90	Very high	94.3	Very high	44 Å²	44	43.5 Å²	43.5	24%	0.235	22%	0.221	C	C	.	.	H	α-helix	trans	-60.3	-41.6	-179.9	-49.6	34	0	0	0	112.6	R146 K240 M245 I246	R146-D242 IonicContact CZ-OD1 3.74Å; R146-D242 VanDerWaalsContact CZ-OD1 3.26Å; R146-D242 IonicContact CZ-OD2 3.69Å; R146-D242 IonicContact NH1-OD1 3.78Å; R146-D242 PolarHBondContact NH1-OD1 3.24Å; R146-D242 IonicContact NH1-OD2 3.5Å; R146-D242 PolarHBondContact NH1-OD2 2.91Å; R146-D242 IonicContact NH2-OD1 2.79Å; R146-D242 PolarHBondContact NH2-OD1 2.81Å; K240-D242 VanDerWaalsContact C-N 3.29Å; K240-D242 PolarHBondContact O-N 3.31Å; K240-D242 VanDerWaalsContact O-N 3.11Å; D242-M245 PolarHBondContact O-N 3.19Å; D242-I246 WeakPolarHBondContact O-CG1 3.4Å; D242-I246 PolarHBondContact O-N 3.11Å
243	G	94.9	Very high	94.2	Very high	25 Å²	25	47.2 Å²	47.2	26%	0.258	24%	0.235	S	C	.	.	H	α-helix	trans	-70.5	-33.3	177.8	0	0	0	0	0	112.6	K240 E241 K247	K240-G243 WeakPolarHBondContact O-CA 3.47Å; K240-G243 PolarHBondContact O-N 2.94Å; E241-G243 PolarHBondContact O-N 2.93Å; G243-K247 VanDerWaalsContact O-CB 3.31Å; G243-K247 WeakPolarHBondContact O-CB 3.47Å; G243-K247 PolarHBondContact O-N 2.86Å
244	C	96	Very high	94.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.6	-43	171.5	-59.8	0	0	0	0	111.4	L179 R182 R183 L239 K240 E241 K247 F248	L179-C244 HydrophobicContact CD2-CB 4.42Å; R182-C244 WeakPolarHBondContact CG-SG 3.5Å; R183-C244 HydrophobicContact CB-CB 3.87Å; R183-C244 HydrophobicContact CG-CB 4.36Å; L239-C244 VanDerWaalsContact CB-SG 3.58Å; K240-C244 PolarHBondContact O-N 2.92Å; K240-C244 PolarHBondContact O-SG 2.86Å; E241-C244 WeakPolarHBondContact O-CB 3.49Å; E241-C244 PolarHBondContact O-N 3.12Å; C244-K247 PolarHBondContact O-N 2.87Å; C244-F248 WeakPolarHBondContact O-CB 3.48Å; C244-F248 PolarHBondContact O-N 2.53Å
245	M	95.1	Very high	94	Very high	1 Å²	1	53 Å²	53	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-64.6	-47.2	177.8	-63.7	-171.3	-66.7	0	0	111.4	F149 L150 Y153 R183 E241 D242 K247 F248 F249	F149-M245 HydrophobicContact CD1-CE 3.6Å; F149-M245 HydrophobicContact CE1-CB 4.22Å; F149-M245 HydrophobicContact CE1-CE 3.69Å; F149-M245 HydrophobicContact CG-CE 4.45Å; F149-M245 HydrophobicContact CZ-CB 4.1Å; L150-M245 HydrophobicContact CD1-SD 3.73Å; Y153-M245 HydrophobicContact CD1-CG 3.93Å; Y153-M245 HydrophobicContact CD1-SD 3.88Å; Y153-M245 HydrophobicContact CD2-CB 3.67Å; Y153-M245 HydrophobicContact CD2-CG 3.52Å; Y153-M245 HydrophobicContact CD2-SD 4.22Å; Y153-M245 HydrophobicContact CE1-CG 4.33Å; Y153-M245 HydrophobicContact CE2-CB 4.21Å; Y153-M245 HydrophobicContact CE2-CG 3.94Å; Y153-M245 HydrophobicContact CG-CB 4.07Å; Y153-M245 HydrophobicContact CG-CG 3.52Å; Y153-M245 HydrophobicContact CG-SD 3.6Å; Y153-M245 VanDerWaalsContact CG-SD 3.6Å; R183-M245 HydrophobicContact CG-CG 4.31Å; E241-M245 HydrophobicContact CG-CE 4.14Å; E241-M245 WeakPolarHBondContact O-CG 3.26Å; E241-M245 PolarHBondContact O-N 3.12Å; D242-M245 PolarHBondContact O-N 3.19Å; M245-K247 PolarHBondContact O-N 2.75Å; M245-F248 PolarHBondContact O-N 3.37Å; M245-F249 HydrophobicContact CB-CE2 4.4Å; M245-F249 WeakPolarHBondContact O-CD2 3.22Å; M245-F249 PolarHBondContact O-N 2.69Å
246	I	95.6	Very high	93.8	Very high	48 Å²	48	49.1 Å²	49.1	25%	0.246	25%	0.253	C	S	.	.	H	α-helix	trans	-56.5	-49.7	173.9	-65.7	167.8	0	0	0	110.8	F149 D242 F248 F249 E250	F149-I246 HydrophobicContact CZ-CG1 3.9Å; D242-I246 WeakPolarHBondContact O-CG1 3.4Å; D242-I246 PolarHBondContact O-N 3.11Å; I246-F248 VanDerWaalsContact C-N 3.3Å; I246-F248 PolarHBondContact O-N 3.27Å; I246-F249 PolarHBondContact O-N 2.83Å; I246-E250 HydrophobicContact CG2-CG 4.42Å; I246-E250 WeakPolarHBondContact CG2-OE1 3.5Å; I246-E250 WeakPolarHBondContact O-CG 3.46Å; I246-E250 PolarHBondContact O-N 2.99Å
247	K	97.1	Very high	93.5	Very high	79 Å²	79	50.9 Å²	50.9	34%	0.343	27%	0.268	S	S	.	.	H	α-helix	trans	-64.4	-33.9	-178.2	-160.2	73.6	-147.5	164.9	0	112.8	L179 Y236 L239 G243 C244 M245 E250 T251	L179-K247 HydrophobicContact CD1-CB 4.1Å; L179-K247 HydrophobicContact CD1-CG 4.08Å; L179-K247 HydrophobicContact CD2-CB 3.88Å; L179-K247 HydrophobicContact CD2-CG 4.09Å; Y236-K247 HydrophobicContact CE1-CG 4.29Å; L239-K247 HydrophobicContact CD1-CB 4.47Å; G243-K247 VanDerWaalsContact O-CB 3.31Å; G243-K247 WeakPolarHBondContact O-CB 3.47Å; G243-K247 PolarHBondContact O-N 2.86Å; C244-K247 PolarHBondContact O-N 2.87Å; M245-K247 PolarHBondContact O-N 2.75Å; K247-E250 WeakPolarHBondContact CD-OE2 3.5Å; K247-E250 WeakPolarHBondContact CE-OE2 3.46Å; K247-E250 IonicContact NZ-OE2 3.52Å; K247-E250 PolarHBondContact NZ-OE2 2.84Å; K247-E250 PolarHBondContact O-N 2.82Å; K247-T251 WeakPolarHBondContact O-CB 3.29Å; K247-T251 PolarHBondContact O-N 2.81Å; K247-T251 PolarHBondContact O-OG1 3.45Å
248	F	97.6	Very high	93.6	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.009	27%	0.273	C	S	.	.	H	α-helix	trans	-66.4	-45	174.6	-176.6	-78.2	0	0	0	111.4	Y153 R157 Y160 L176 L179 C244 M245 I246 T251 L252	Y153-F248 HydrophobicContact CD2-CD1 4.27Å; Y153-F248 HydrophobicContact CD2-CG 4.49Å; Y153-F248 HydrophobicContact CE2-CB 3.7Å; Y153-F248 AromaticContact CE2-CD1 3.64Å; Y153-F248 HydrophobicContact CE2-CD1 3.64Å; Y153-F248 AromaticContact CE2-CD2 3.97Å; Y153-F248 HydrophobicContact CE2-CD2 3.97Å; Y153-F248 HydrophobicContact CE2-CE1 4.21Å; Y153-F248 HydrophobicContact CE2-CE2 4.49Å; Y153-F248 AromaticContact CE2-CG 3.52Å; Y153-F248 HydrophobicContact CE2-CG 3.52Å; Y153-F248 WeakPolarHBondContact OH-CD2 3.45Å; R157-F248 HydrophobicContact CB-CE1 4.23Å; R157-F248 HydrophobicContact CB-CZ 3.85Å; R157-F248 HydrophobicContact CG-CE2 4.42Å; R157-F248 HydrophobicContact CG-CZ 4.05Å; Y160-F248 HydrophobicContact CD1-CZ 4.13Å; Y160-F248 HydrophobicContact CG-CZ 4.43Å; L176-F248 HydrophobicContact CB-CD2 4.09Å; L176-F248 HydrophobicContact CB-CE2 3.8Å; L176-F248 HydrophobicContact CD2-CB 4.42Å; L176-F248 HydrophobicContact CD2-CD1 4.25Å; L176-F248 HydrophobicContact CD2-CD2 3.51Å; L176-F248 HydrophobicContact CD2-CE1 4.43Å; L176-F248 HydrophobicContact CD2-CE2 3.74Å; L176-F248 HydrophobicContact CD2-CG 3.77Å; L176-F248 HydrophobicContact CD2-CZ 4.18Å; L176-F248 HydrophobicContact CG-CD2 4.39Å; L176-F248 HydrophobicContact CG-CE2 4.27Å; L179-F248 HydrophobicContact CD1-CB 4.24Å; C244-F248 WeakPolarHBondContact O-CB 3.48Å; C244-F248 PolarHBondContact O-N 2.53Å; M245-F248 PolarHBondContact O-N 3.37Å; I246-F248 VanDerWaalsContact C-N 3.3Å; I246-F248 PolarHBondContact O-N 3.27Å; F248-T251 PolarHBondContact O-N 2.85Å; F248-L252 HydrophobicContact CE1-CD2 3.93Å; F248-L252 VanDerWaalsContact O-CB 3.32Å; F248-L252 WeakPolarHBondContact O-CB 3.44Å; F248-L252 PolarHBondContact O-N 3.29Å
249	F	96.7	Very high	93.7	Very high	3 Å²	3	46.9 Å²	46.9	1%	0.013	24%	0.24	C	C	.	.	H	α-helix	trans	-60.4	-44.9	173.9	-70.3	-57.4	0	0	0	111.6	L139 F149 F152 Y153 V156 M245 I246 K253 F258	L139-F249 HydrophobicContact CD2-CD2 3.94Å; F149-F249 HydrophobicContact CD2-CE2 4.29Å; F149-F249 HydrophobicContact CE2-CD2 4.19Å; F149-F249 AromaticContact CE2-CE2 3.58Å; F149-F249 HydrophobicContact CE2-CE2 3.58Å; F149-F249 HydrophobicContact CZ-CE2 4.2Å; F152-F249 AromaticContact CD1-CE1 3.73Å; F152-F249 HydrophobicContact CD1-CE1 3.73Å; F152-F249 AromaticContact CD1-CZ 3.54Å; F152-F249 HydrophobicContact CD1-CZ 3.54Å; F152-F249 AromaticContact CE1-CE1 3.76Å; F152-F249 HydrophobicContact CE1-CE1 3.76Å; F152-F249 HydrophobicContact CE1-CZ 4.04Å; F152-F249 HydrophobicContact CG-CZ 4.41Å; Y153-F249 HydrophobicContact CD2-CE2 4.28Å; Y153-F249 HydrophobicContact CD2-CZ 4.23Å; V156-F249 HydrophobicContact CB-CE1 4.01Å; V156-F249 HydrophobicContact CG1-CD1 4.36Å; V156-F249 HydrophobicContact CG1-CE1 4.13Å; V156-F249 HydrophobicContact CG2-CE1 4.08Å; M245-F249 HydrophobicContact CB-CE2 4.4Å; M245-F249 WeakPolarHBondContact O-CD2 3.22Å; M245-F249 PolarHBondContact O-N 2.69Å; I246-F249 PolarHBondContact O-N 2.83Å; F249-K253 WeakPolarHBondContact O-CB 3.4Å; F249-K253 PolarHBondContact O-N 2.84Å; F249-F258 HydrophobicContact CB-CE2 4.42Å; F249-F258 HydrophobicContact CB-CZ 3.81Å; F249-F258 HydrophobicContact CD1-CD2 4.18Å; F249-F258 HydrophobicContact CD1-CE1 4.22Å; F249-F258 AromaticContact CD1-CE2 3.53Å; F249-F258 HydrophobicContact CD1-CE2 3.53Å; F249-F258 AromaticContact CD1-CZ 3.56Å; F249-F258 HydrophobicContact CD1-CZ 3.56Å; F249-F258 HydrophobicContact CE1-CD2 4.46Å; F249-F258 HydrophobicContact CE1-CE2 4.15Å; F249-F258 HydrophobicContact CG-CE2 4.29Å; F249-F258 HydrophobicContact CG-CZ 4.11Å
250	E	95.8	Very high	93.7	Very high	92 Å²	92	46 Å²	46	43%	0.43	23%	0.234	S	C	.	.	H	α-helix	trans	-58.4	-49.4	175.3	-72.7	175.2	-171.3	0	0	112.3	I246 K247	I246-E250 HydrophobicContact CG2-CG 4.42Å; I246-E250 WeakPolarHBondContact CG2-OE1 3.5Å; I246-E250 WeakPolarHBondContact O-CG 3.46Å; I246-E250 PolarHBondContact O-N 2.99Å; K247-E250 WeakPolarHBondContact CD-OE2 3.5Å; K247-E250 WeakPolarHBondContact CE-OE2 3.46Å; K247-E250 IonicContact NZ-OE2 3.52Å; K247-E250 PolarHBondContact NZ-OE2 2.84Å; K247-E250 PolarHBondContact O-N 2.82Å
251	T	96.6	Very high	93.9	Very high	16 Å²	16	40.2 Å²	40.2	10%	0.098	21%	0.21	C	C	.	.	H	α-helix	trans	-66.3	-45.5	-179.9	-70.2	0	0	0	0	112	M172 L176 K247 F248 K253 T254	M172-T251 HydrophobicContact CE-CG2 4.22Å; M172-T251 WeakPolarHBondContact CE-O 3.49Å; M172-T251 HydrophobicContact CG-CG2 4Å; L176-T251 HydrophobicContact CD2-CG2 3.74Å; L176-T251 HydrophobicContact CG-CG2 4.04Å; K247-T251 WeakPolarHBondContact O-CB 3.29Å; K247-T251 PolarHBondContact O-N 2.81Å; K247-T251 PolarHBondContact O-OG1 3.45Å; F248-T251 PolarHBondContact O-N 2.85Å; T251-K253 VanDerWaalsContact C-N 3.32Å; T251-K253 PolarHBondContact O-N 2.97Å; T251-T254 PolarHBondContact O-N 3.24Å; T251-T254 PolarHBondContact O-OG1 3.23Å
252	L	96	Very high	94.2	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.016	22%	0.224	C	C	.	.	H	α-helix	trans	-67.7	-33.8	-178.2	-176.6	61.5	0	0	0	112.1	V156 Y160 L176 F248 T254 F255 T256 F258	V156-L252 HydrophobicContact CG1-CD2 3.56Å; Y160-L252 HydrophobicContact CD2-CD1 3.74Å; Y160-L252 HydrophobicContact CE2-CD1 4.45Å; Y160-L252 HydrophobicContact CG-CD1 4.4Å; L176-L252 HydrophobicContact CD1-CD1 4.2Å; L176-L252 HydrophobicContact CD2-CB 4.3Å; F248-L252 HydrophobicContact CE1-CD2 3.93Å; F248-L252 VanDerWaalsContact O-CB 3.32Å; F248-L252 WeakPolarHBondContact O-CB 3.44Å; F248-L252 PolarHBondContact O-N 3.29Å; L252-T254 PolarHBondContact O-N 2.87Å; L252-T254 VanDerWaalsContact O-N 3.16Å; L252-F255 PolarHBondContact O-N 3.26Å; L252-T256 HydrophobicContact CD1-CG2 3.97Å; L252-T256 HydrophobicContact CG-CG2 4.1Å; L252-T256 PolarHBondContact O-N 2.95Å; L252-F258 HydrophobicContact CB-CE1 4.29Å; L252-F258 HydrophobicContact CD2-CD1 4.02Å; L252-F258 HydrophobicContact CD2-CE1 4.45Å; L252-F258 HydrophobicContact CG-CD1 4.2Å; L252-F258 HydrophobicContact CG-CE1 4.39Å
253	K	93.7	Very high	94.5	Very high	98 Å²	98	41.4 Å²	41.4	43%	0.426	22%	0.218	S	C	.	.	H	α-helix	trans	-64.2	-17.4	-179.9	-171.9	156.2	178.8	164.5	0	113.8	F249 T251 F255 T256 F258 D259	F249-K253 WeakPolarHBondContact O-CB 3.4Å; F249-K253 PolarHBondContact O-N 2.84Å; T251-K253 VanDerWaalsContact C-N 3.32Å; T251-K253 PolarHBondContact O-N 2.97Å; K253-F255 VanDerWaalsContact C-N 3.25Å; K253-F255 PolarHBondContact O-N 3.46Å; K253-T256 WeakPolarHBondContact CA-O 3.49Å; K253-F258 HydrophobicContact CB-CE1 3.82Å; K253-F258 HydrophobicContact CB-CZ 4.12Å; K253-F258 HydrophobicContact CD-CZ 4.31Å; K253-D259 IonicContact NZ-OD1 2.9Å; K253-D259 IonicContact NZ-OD2 2.86Å; K253-D259 PolarHBondContact NZ-OD2 3.07Å
254	T	93.2	Very high	94.4	Very high	114 Å²	114	44.9 Å²	44.9	70%	0.699	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-9.4	172.1	73.4	0	0	0	0	113.5	M172 T251 L252	M172-T254 VanDerWaalsContact CE-OG1 3.28Å; M172-T254 WeakPolarHBondContact CE-OG1 3.41Å; T251-T254 PolarHBondContact O-N 3.24Å; T251-T254 PolarHBondContact O-OG1 3.23Å; L252-T254 PolarHBondContact O-N 2.87Å; L252-T254 VanDerWaalsContact O-N 3.16Å
255	F	92.1	Very high	94.3	Very high	86 Å²	86	45.2 Å²	45.2	38%	0.377	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-39.3	179.1	176.9	-99.9	0	0	0	112.8	H164 K167 V168 M172 L252 K253	H164-F255 HydrophobicContact CB-CE1 4.04Å; H164-F255 AromaticContact ND1-CE1 3.8Å; K167-F255 HydrophobicContact CB-CE1 4.49Å; K167-F255 HydrophobicContact CB-CZ 3.83Å; V168-F255 HydrophobicContact CG1-CD1 3.56Å; V168-F255 HydrophobicContact CG1-CD2 4.15Å; V168-F255 HydrophobicContact CG1-CE1 3.65Å; V168-F255 HydrophobicContact CG1-CE2 4.23Å; V168-F255 HydrophobicContact CG1-CG 3.82Å; V168-F255 HydrophobicContact CG1-CZ 3.99Å; M172-F255 HydrophobicContact CE-CB 4.06Å; M172-F255 HydrophobicContact SD-CB 3.8Å; M172-F255 HydrophobicContact SD-CG 4.36Å; L252-F255 PolarHBondContact O-N 3.26Å; K253-F255 VanDerWaalsContact C-N 3.25Å; K253-F255 PolarHBondContact O-N 3.46Å
256	T	90.6	Very high	94.3	Very high	35 Å²	35	48 Å²	48	22%	0.215	25%	0.251	C	S	.	.			trans	-149	144.6	-179.8	-158.6	0	0	0	0	111.4	H164 L252 K253	H164-T256 PolarHBondContact CE1-OG1 3.37Å; L252-T256 HydrophobicContact CD1-CG2 3.97Å; L252-T256 HydrophobicContact CG-CG2 4.1Å; L252-T256 PolarHBondContact O-N 2.95Å; K253-T256 WeakPolarHBondContact CA-O 3.49Å
257	S	90.1	Very high	94.1	Very high	51 Å²	51	46.2 Å²	46.2	36%	0.357	24%	0.243	S	C	.	.			trans	-79.7	140	168.1	175.5	0	0	0	0	109.4	D259 E260	S257-D259 PolarHBondContact OG-N 3.39Å; S257-D259 PolarHBondContact OG-OD1 2.98Å; S257-E260 WeakPolarHBondContact OG-CG 3.35Å; S257-E260 PolarHBondContact OG-N 3.29Å; S257-E260 VanDerWaalsContact OG-N 3.16Å
258	F	93.2	Very high	93.7	Very high	30 Å²	30	44.5 Å²	44.5	13%	0.132	24%	0.239	C	C	.	.	S	Bend	trans	-123.6	6.9	171.7	50.7	-100.9	0	0	0	110.7	I134 F138 F152 V156 F249 L252 K253	I134-F258 WeakPolarHBondContact CD1-O 3.42Å; F138-F258 AromaticContact CZ-CE2 3.87Å; F138-F258 HydrophobicContact CZ-CE2 3.87Å; F152-F258 HydrophobicContact CE1-CD2 4.06Å; F152-F258 HydrophobicContact CE1-CE2 4.26Å; F152-F258 AromaticContact CZ-CD2 3.91Å; F152-F258 HydrophobicContact CZ-CD2 3.91Å; V156-F258 HydrophobicContact CG1-CB 3.79Å; V156-F258 HydrophobicContact CG1-CD1 3.89Å; V156-F258 HydrophobicContact CG1-CD2 4.23Å; V156-F258 HydrophobicContact CG1-CG 3.67Å; V156-F258 HydrophobicContact CG2-CB 3.91Å; V156-F258 HydrophobicContact CG2-CD2 4.11Å; V156-F258 HydrophobicContact CG2-CG 4.12Å; F249-F258 HydrophobicContact CB-CE2 4.42Å; F249-F258 HydrophobicContact CB-CZ 3.81Å; F249-F258 HydrophobicContact CD1-CD2 4.18Å; F249-F258 HydrophobicContact CD1-CE1 4.22Å; F249-F258 AromaticContact CD1-CE2 3.53Å; F249-F258 HydrophobicContact CD1-CE2 3.53Å; F249-F258 AromaticContact CD1-CZ 3.56Å; F249-F258 HydrophobicContact CD1-CZ 3.56Å; F249-F258 HydrophobicContact CE1-CD2 4.46Å; F249-F258 HydrophobicContact CE1-CE2 4.15Å; F249-F258 HydrophobicContact CG-CE2 4.29Å; F249-F258 HydrophobicContact CG-CZ 4.11Å; L252-F258 HydrophobicContact CB-CE1 4.29Å; L252-F258 HydrophobicContact CD2-CD1 4.02Å; L252-F258 HydrophobicContact CD2-CE1 4.45Å; L252-F258 HydrophobicContact CG-CD1 4.2Å; L252-F258 HydrophobicContact CG-CE1 4.39Å; K253-F258 HydrophobicContact CB-CE1 3.82Å; K253-F258 HydrophobicContact CB-CZ 4.12Å; K253-F258 HydrophobicContact CD-CZ 4.31Å
259	D	93.1	Very high	92.8	Very high	12 Å²	12	49.6 Å²	49.6	6%	0.064	26%	0.262	C	S	.	.	S	Bend	trans	-114.6	-2.4	-176.9	60.7	-44.2	0	0	0	112.9	I134 K253 S257 R282	I134-D259 HydrophobicContact CG2-CB 4.26Å; K253-D259 IonicContact NZ-OD1 2.9Å; K253-D259 IonicContact NZ-OD2 2.86Å; K253-D259 PolarHBondContact NZ-OD2 3.07Å; S257-D259 PolarHBondContact OG-N 3.39Å; S257-D259 PolarHBondContact OG-OD1 2.98Å; D259-R282 IonicContact OD2-NH1 2.71Å
260	E	93.3	Very high	91.8	Very high	35 Å²	35	53.8 Å²	53.8	16%	0.164	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	135.6	-179.3	-39.2	-157	117.5	0	0	110.7	S257 V278 I279 R282 R285	S257-E260 WeakPolarHBondContact OG-CG 3.35Å; S257-E260 PolarHBondContact OG-N 3.29Å; S257-E260 VanDerWaalsContact OG-N 3.16Å; E260-V278 HydrophobicContact CB-CG1 3.95Å; E260-I279 CarbonylContact C-O 3.55Å; E260-I279 VanDerWaalsContact CA-O 3.3Å; E260-I279 WeakPolarHBondContact CA-O 3.12Å; E260-R282 IonicContact OE1-CZ 3.87Å; E260-R282 IonicContact OE1-NE 2.92Å; E260-R282 IonicContact OE1-NH1 3.26Å; E260-R282 PolarHBondContact OE1-NH1 3.28Å; E260-R282 IonicContact OE1-NH2 3.43Å; E260-R282 PolarHBondContact OE1-NH2 2.82Å; E260-R282 IonicContact OE2-CZ 3.48Å; E260-R282 IonicContact OE2-NH1 2.82Å; E260-R282 IonicContact OE2-NH2 2.74Å; E260-R282 PolarHBondContact OE2-NH2 3.01Å; E260-R285 VanDerWaalsContact CD-NH1 3.25Å; E260-R285 IonicContact OE1-CZ 3.21Å; E260-R285 IonicContact OE1-NH1 2.81Å; E260-R285 PolarHBondContact OE1-NH1 3.42Å; E260-R285 IonicContact OE1-NH2 2.96Å; E260-R285 PolarHBondContact OE1-NH2 3.42Å; E260-R285 IonicContact OE2-CZ 2.8Å; E260-R285 IonicContact OE2-NH1 2.96Å; E260-R285 PolarHBondContact OE2-NH1 2.96Å
261	E	94.7	Very high	91.1	Very high	53 Å²	53	57.3 Å²	57.3	25%	0.248	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	148	168.9	-66.1	-178.6	-144.4	0	0	109.8	R132 F263 I279 L345	R132-E261 WeakPolarHBondContact CG-OE1 3.49Å; R132-E261 IonicContact CZ-OE1 3.48Å; R132-E261 IonicContact CZ-OE2 3.86Å; R132-E261 IonicContact NE-OE1 3.41Å; R132-E261 PolarHBondContact NE-OE1 2.94Å; R132-E261 IonicContact NE-OE2 2.77Å; R132-E261 IonicContact NH2-OE1 2.52Å; R132-E261 PolarHBondContact NH2-OE1 3.43Å; R132-E261 IonicContact NH2-OE2 2.77Å; R132-E261 PolarHBondContact NH2-OE2 3.19Å; E261-F263 HydrophobicContact CB-CE2 3.63Å; E261-F263 HydrophobicContact CB-CZ 4.03Å; E261-F263 WeakPolarHBondContact OE2-CZ 3.28Å; E261-I279 PolarHBondContact N-O 2.87Å; E261-I279 PolarHBondContact O-N 3.21Å; E261-L345 HydrophobicContact CB-CD2 3.78Å; E261-L345 HydrophobicContact CG-CD2 4.11Å
262	V	94.1	Very high	90.6	Very high	62 Å²	62	60.1 Å²	60.1	38%	0.376	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	122.7	-174.8	-175.3	0	0	0	0	110.7	E276 L277 V278	V262-E276 HydrophobicContact CG1-CB 3.92Å; V262-E276 HydrophobicContact CG1-CG 4.36Å; V262-L277 WeakPolarHBondContact CA-O 3.36Å; V262-V278 HydrophobicContact CG1-CG2 4.32Å; V262-V278 HydrophobicContact CG2-CG1 4.36Å; V262-V278 HydrophobicContact CG2-CG2 4.2Å
263	F	94.5	Very high	90.4	Very high	24 Å²	24	62.9 Å²	62.9	11%	0.105	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	116.2	-174.9	-62.2	-86.9	0	0	0	111.1	E261 C265 L277 I279 I338 M342 L345	E261-F263 HydrophobicContact CB-CE2 3.63Å; E261-F263 HydrophobicContact CB-CZ 4.03Å; E261-F263 WeakPolarHBondContact OE2-CZ 3.28Å; F263-C265 PolarHBondContact O-N 3.49Å; F263-L277 PolarHBondContact N-O 2.99Å; F263-L277 PolarHBondContact O-N 3.08Å; F263-I279 HydrophobicContact CD2-CD1 3.94Å; F263-I279 HydrophobicContact CD2-CG1 4.34Å; F263-I279 HydrophobicContact CE2-CD1 3.98Å; F263-I279 HydrophobicContact CE2-CG1 4.49Å; F263-I338 HydrophobicContact CD1-CG2 4.14Å; F263-M342 HydrophobicContact CB-CE 3.97Å; F263-M342 HydrophobicContact CB-CG 4.39Å; F263-M342 HydrophobicContact CB-SD 3.74Å; F263-M342 HydrophobicContact CD1-CG 3.44Å; F263-M342 VanDerWaalsContact CD1-CG 3.44Å; F263-M342 HydrophobicContact CD1-SD 3.76Å; F263-M342 HydrophobicContact CD2-CE 4.22Å; F263-M342 HydrophobicContact CD2-CG 3.86Å; F263-M342 HydrophobicContact CD2-SD 4.25Å; F263-M342 HydrophobicContact CE1-CG 3.51Å; F263-M342 HydrophobicContact CE1-SD 4.44Å; F263-M342 HydrophobicContact CE2-CG 3.93Å; F263-M342 HydrophobicContact CG-CE 4.06Å; F263-M342 HydrophobicContact CG-CG 3.62Å; F263-M342 HydrophobicContact CG-SD 3.64Å; F263-M342 HydrophobicContact CZ-CG 3.76Å; F263-L345 HydrophobicContact CE2-CD2 3.78Å; F263-L345 HydrophobicContact CZ-CD2 4.22Å
264	P	93.9	Very high	90.3	Very high	99 Å²	99	62.9 Å²	62.9	64%	0.643	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	123.4	166.5	-18.9	32.9	0	0	0	110.3	V275	P264-V275 WeakPolarHBondContact CA-O 3.45Å
265	C	93.9	Very high	90.3	Very high	6 Å²	6	57.9 Å²	57.9	4%	0.041	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	170.9	-174.7	65.6	0	0	0	0	112.8	F263 S274 V275 L277 I331 S332 V333	F263-C265 PolarHBondContact O-N 3.49Å; C265-S274 WeakPolarHBondContact O-CA 3.47Å; C265-V275 PolarHBondContact N-O 3.41Å; C265-V275 PolarHBondContact O-N 3.12Å; C265-V275 VanDerWaalsContact O-O 3.14Å; C265-V275 VanDerWaalsContact SG-CG2 3.56Å; C265-L277 VanDerWaalsContact SG-CB 3.54Å; C265-I331 HydrophobicContact CB-CG2 3.7Å; C265-S332 WeakPolarHBondContact CB-O 3.3Å; C265-V333 HydrophobicContact CB-CG1 3.91Å
266	E	93.8	Very high	90.4	Very high	59 Å²	59	55.3 Å²	55.3	28%	0.276	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	117.2	174.6	-66.6	161.8	169.2	0	0	109.7	L273 K315 S332	E266-L273 CarbonylContact C-O 3.58Å; E266-L273 WeakPolarHBondContact CA-O 3.28Å; E266-K315 IonicContact OE1-NZ 3.3Å; E266-K315 PolarHBondContact OE1-NZ 2.87Å; E266-K315 IonicContact OE2-NZ 2.79Å; E266-K315 PolarHBondContact OE2-NZ 3.22Å; E266-S332 PolarHBondContact N-O 2.96Å; E266-S332 PolarHBondContact O-N 3.44Å; E266-S332 PolarHBondContact OE2-OG 3.08Å
267	L	91.9	Very high	90.7	Very high	12 Å²	12	53.7 Å²	53.7	6%	0.063	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	128.3	171.2	-63.7	-178.3	0	0	0	109.9	S272 L273 V275 L277 Q286 L297 L329 I331	L267-S272 CarbonylContact O-C 3.59Å; L267-S272 WeakPolarHBondContact O-CA 3.45Å; L267-L273 PolarHBondContact N-O 3.22Å; L267-L273 PolarHBondContact O-N 3.43Å; L267-V275 HydrophobicContact CD1-CG1 4.27Å; L267-V275 HydrophobicContact CD1-CG2 4.13Å; L267-V275 HydrophobicContact CG-CG1 4.45Å; L267-V275 HydrophobicContact CG-CG2 3.84Å; L267-L277 HydrophobicContact CD2-CD1 4.23Å; L267-Q286 HydrophobicContact CD1-CG 4.21Å; L267-L297 HydrophobicContact CD1-CD1 4.44Å; L267-L329 HydrophobicContact CD2-CD1 4.04Å; L267-I331 HydrophobicContact CD2-CG1 3.93Å; L267-I331 HydrophobicContact CD2-CG2 4.48Å
268	V	89.4	Confident	90.9	Very high	43 Å²	43	51.5 Å²	51.5	26%	0.261	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	101.5	-172.5	-174.8	0	0	0	0	110.6	L317 S330	V268-L317 HydrophobicContact CG2-CD1 4.3Å; V268-S330 PolarHBondContact N-O 2.91Å; V268-S330 WeakPolarHBondContact O-CB 3.28Å
269	Q	78.4	Confident	91.1	Very high	109 Å²	109	50.1 Å²	50.1	51%	0.509	29%	0.29	S	S	.	.	S	Bend	trans	-131	60.2	179.2	-67.6	-172.1	-4.8	0	0	110.9	W271	Q269-W271 PolarHBondContact N-O 2.82Å; Q269-W271 VanDerWaalsContact O-CD1 3.25Å; Q269-W271 PolarHBondContact O-N 2.84Å; Q269-W271 VanDerWaalsContact O-N 3.14Å
270	G	75.3	Confident	91.1	Very high	91 Å²	91	49.6 Å²	49.6	94%	0.938	29%	0.287	S	S	*	.	S	Bend	trans	78.2	-19.7	-171.7	0	0	0	0	0	114.1
271	W	82.3	Confident	91	Very high	166 Å²	166	48.2 Å²	48.2	63%	0.629	28%	0.283	S	S	*	.	S	Bend	trans	-138.6	159.8	166.8	59.4	-72.7	0	0	0	108.3	Q269 L273	Q269-W271 PolarHBondContact N-O 2.82Å; Q269-W271 VanDerWaalsContact O-CD1 3.25Å; Q269-W271 PolarHBondContact O-N 2.84Å; Q269-W271 VanDerWaalsContact O-N 3.14Å; W271-L273 HydrophobicContact CE3-CB 4.27Å; W271-L273 HydrophobicContact CH2-CB 4Å; W271-L273 HydrophobicContact CH2-CD1 4.08Å; W271-L273 HydrophobicContact CH2-CD2 4.14Å; W271-L273 HydrophobicContact CH2-CG 4.28Å; W271-L273 HydrophobicContact CZ3-CB 3.67Å; W271-L273 HydrophobicContact CZ3-CD1 3.8Å; W271-L273 HydrophobicContact CZ3-CG 4.18Å
272	S	86.1	Confident	90.9	Very high	75 Å²	75	51 Å²	51	52%	0.524	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	126.2	-178.2	-59	0	0	0	0	111.6	L267	L267-S272 CarbonylContact O-C 3.59Å; L267-S272 WeakPolarHBondContact O-CA 3.45Å
273	L	90.4	Very high	90.9	Very high	61 Å²	61	48.1 Å²	48.1	32%	0.319	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	117.2	174.6	179.7	67.1	0	0	0	110.3	E266 L267 W271 V275	E266-L273 CarbonylContact C-O 3.58Å; E266-L273 WeakPolarHBondContact CA-O 3.28Å; L267-L273 PolarHBondContact N-O 3.22Å; L267-L273 PolarHBondContact O-N 3.43Å; W271-L273 HydrophobicContact CE3-CB 4.27Å; W271-L273 HydrophobicContact CH2-CB 4Å; W271-L273 HydrophobicContact CH2-CD1 4.08Å; W271-L273 HydrophobicContact CH2-CD2 4.14Å; W271-L273 HydrophobicContact CH2-CG 4.28Å; W271-L273 HydrophobicContact CZ3-CB 3.67Å; W271-L273 HydrophobicContact CZ3-CD1 3.8Å; W271-L273 HydrophobicContact CZ3-CG 4.18Å; L273-V275 HydrophobicContact CD2-CG1 3.85Å; L273-V275 HydrophobicContact CG-CG1 3.74Å
274	S	92.3	Very high	90.9	Very high	97 Å²	97	47 Å²	47	68%	0.678	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	129.1	173.3	-173.2	0	0	0	0	110.8	C265	C265-S274 WeakPolarHBondContact O-CA 3.47Å
275	V	93.4	Very high	91	Very high	9 Å²	9	43.1 Å²	43.1	6%	0.055	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	165.7	-174	-55.1	0	0	0	0	111.5	P264 C265 L267 L273 Q286	P264-V275 WeakPolarHBondContact CA-O 3.45Å; C265-V275 PolarHBondContact N-O 3.41Å; C265-V275 PolarHBondContact O-N 3.12Å; C265-V275 VanDerWaalsContact O-O 3.14Å; C265-V275 VanDerWaalsContact SG-CG2 3.56Å; L267-V275 HydrophobicContact CD1-CG1 4.27Å; L267-V275 HydrophobicContact CD1-CG2 4.13Å; L267-V275 HydrophobicContact CG-CG1 4.45Å; L267-V275 HydrophobicContact CG-CG2 3.84Å; L273-V275 HydrophobicContact CD2-CG1 3.85Å; L273-V275 HydrophobicContact CG-CG1 3.74Å; V275-Q286 HydrophobicContact CB-CG 3.95Å; V275-Q286 HydrophobicContact CG1-CG 3.79Å; V275-Q286 HydrophobicContact CG2-CG 4.25Å
276	E	94.6	Very high	91	Very high	32 Å²	32	44.1 Å²	44.1	15%	0.15	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	122.5	156.8	-69.1	-179.8	162.2	0	0	109	V262 R287 K290	V262-E276 HydrophobicContact CG1-CB 3.92Å; V262-E276 HydrophobicContact CG1-CG 4.36Å; E276-R287 HydrophobicContact CB-CB 4.36Å; E276-R287 PolarHBondContact N-O 3.49Å; E276-R287 PolarHBondContact O-N 3.08Å; E276-R287 IonicContact OE2-CZ 2.88Å; E276-R287 IonicContact OE2-NE 2.73Å; E276-R287 PolarHBondContact OE2-NE 3.32Å; E276-R287 IonicContact OE2-NH2 3.69Å; E276-R287 PolarHBondContact OE2-NH2 2.95Å; E276-K290 WeakPolarHBondContact OE1-CE 3.19Å; E276-K290 WeakPolarHBondContact OE1-CG 3.45Å
277	L	95.1	Very high	90.9	Very high	1 Å²	1	44 Å²	44	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122.5	178.4	-171	163	0	0	0	109.2	V262 F263 C265 L267 I279 I284 R285 I331 M342	V262-L277 WeakPolarHBondContact CA-O 3.36Å; F263-L277 PolarHBondContact N-O 2.99Å; F263-L277 PolarHBondContact O-N 3.08Å; C265-L277 VanDerWaalsContact SG-CB 3.54Å; L267-L277 HydrophobicContact CD2-CD1 4.23Å; L277-I279 HydrophobicContact CD2-CD1 3.63Å; L277-I279 HydrophobicContact CD2-CG1 3.28Å; L277-I284 HydrophobicContact CD1-CG2 4.38Å; L277-I284 HydrophobicContact CD2-CG2 3.77Å; L277-I284 HydrophobicContact CG-CG2 4.15Å; L277-R285 CarbonylContact C-O 3.6Å; L277-R285 WeakPolarHBondContact CA-O 3.43Å; L277-I331 HydrophobicContact CD1-CD1 3.7Å; L277-I331 HydrophobicContact CD1-CG1 4.29Å; L277-I331 HydrophobicContact CD1-CG2 4.35Å; L277-M342 HydrophobicContact CD1-CE 4.39Å; L277-M342 HydrophobicContact CD2-CE 4.18Å
278	V	95.3	Very high	90.5	Very high	6 Å²	6	47.2 Å²	47.2	4%	0.036	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	119.9	-172.9	-176.1	0	0	0	0	109	E260 V262 R285 R287	E260-V278 HydrophobicContact CB-CG1 3.95Å; V262-V278 HydrophobicContact CG1-CG2 4.32Å; V262-V278 HydrophobicContact CG2-CG1 4.36Å; V262-V278 HydrophobicContact CG2-CG2 4.2Å; V278-R285 HydrophobicContact CB-CB 4.41Å; V278-R285 PolarHBondContact N-O 2.93Å; V278-R285 PolarHBondContact O-N 3.37Å; V278-R287 HydrophobicContact CG2-CB 4.35Å
279	I	96.4	Very high	89.9	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.4	-178.9	-50.1	177.2	0	0	0	108.9	E260 E261 F263 L277 F300 M342 L345 I346 Y349	E260-I279 CarbonylContact C-O 3.55Å; E260-I279 VanDerWaalsContact CA-O 3.3Å; E260-I279 WeakPolarHBondContact CA-O 3.12Å; E261-I279 PolarHBondContact N-O 2.87Å; E261-I279 PolarHBondContact O-N 3.21Å; F263-I279 HydrophobicContact CD2-CD1 3.94Å; F263-I279 HydrophobicContact CD2-CG1 4.34Å; F263-I279 HydrophobicContact CE2-CD1 3.98Å; F263-I279 HydrophobicContact CE2-CG1 4.49Å; L277-I279 HydrophobicContact CD2-CD1 3.63Å; L277-I279 HydrophobicContact CD2-CG1 3.28Å; I279-F300 HydrophobicContact CG2-CE1 4.15Å; I279-F300 HydrophobicContact CG2-CZ 3.96Å; I279-M342 HydrophobicContact CD1-CE 4.04Å; I279-L345 HydrophobicContact CB-CD2 3.63Å; I279-L345 HydrophobicContact CB-CG 4.43Å; I279-L345 HydrophobicContact CD1-CD2 4.13Å; I279-L345 HydrophobicContact CG1-CD2 4.44Å; I279-L345 HydrophobicContact CG2-CD2 3.57Å; I279-L345 HydrophobicContact CG2-CG 3.81Å; I279-I346 HydrophobicContact CD1-CD1 3.98Å; I279-I346 HydrophobicContact CD1-CG1 3.85Å; I279-I346 HydrophobicContact CG2-CG1 4.35Å; I279-Y349 HydrophobicContact CG2-CD2 4.21Å; I279-Y349 HydrophobicContact CG2-CE2 4.3Å
280	G	94.8	Very high	89.6	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.4	179.5	176.4	0	0	0	0	0	108.2	R282 G283 F300	G280-R282 PolarHBondContact O-N 3.2Å; G280-G283 PolarHBondContact O-N 3.49Å; G280-G283 VanDerWaalsContact O-N 3.12Å; G280-F300 WeakPolarHBondContact O-CE2 3.48Å
281	G	91.1	Very high	89.5	Confident	7 Å²	7	57.2 Å²	57.2	7%	0.072	29%	0.288	C	S	.	.	S	Bend	trans	-51.6	-23	-173.2	0	0	0	0	0	116	V136 G283 Y349	V136-G281 VanDerWaalsContact CG2-C 3.48Å; V136-G281 WeakPolarHBondContact CG2-O 3.41Å; G281-G283 PolarHBondContact O-N 2.92Å; G281-G283 VanDerWaalsContact O-N 3.09Å; G281-Y349 PolarHBondContact N-OH 3.1Å
282	R	91.4	Very high	89.5	Confident	112 Å²	112	51.4 Å²	51.4	42%	0.423	27%	0.273	S	S	.	.	S	Bend	trans	-82.1	36.6	174.8	-56.1	-169.3	-54.5	-66	-2.9	113.7	V136 D259 E260 G280 R285	V136-R282 HydrophobicContact CG1-CG 4.2Å; V136-R282 HydrophobicContact CG2-CG 4.38Å; D259-R282 IonicContact OD2-NH1 2.71Å; E260-R282 IonicContact OE1-CZ 3.87Å; E260-R282 IonicContact OE1-NE 2.92Å; E260-R282 IonicContact OE1-NH1 3.26Å; E260-R282 PolarHBondContact OE1-NH1 3.28Å; E260-R282 IonicContact OE1-NH2 3.43Å; E260-R282 PolarHBondContact OE1-NH2 2.82Å; E260-R282 IonicContact OE2-CZ 3.48Å; E260-R282 IonicContact OE2-NH1 2.82Å; E260-R282 IonicContact OE2-NH2 2.74Å; E260-R282 PolarHBondContact OE2-NH2 3.01Å; G280-R282 PolarHBondContact O-N 3.2Å; R282-R285 PolarHBondContact O-NE 3.37Å
283	G	94.1	Very high	89.3	Confident	1 Å²	1	52 Å²	52	1%	0.01	28%	0.283	C	S	.	.			trans	63.9	-178.3	-177.5	0	0	0	0	0	114.9	G280 G281 R285	G280-G283 PolarHBondContact O-N 3.49Å; G280-G283 VanDerWaalsContact O-N 3.12Å; G281-G283 PolarHBondContact O-N 2.92Å; G281-G283 VanDerWaalsContact O-N 3.09Å; G283-R285 PolarHBondContact O-NE 2.94Å; G283-R285 VanDerWaalsContact O-NE 3.11Å; G283-R285 PolarHBondContact O-NH2 3.35Å
284	I	95.8	Very high	89.2	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	127.4	179.5	-60.9	-179	0	0	0	109.9	L277 L297 T298 F300 I303 I320 I346	L277-I284 HydrophobicContact CD1-CG2 4.38Å; L277-I284 HydrophobicContact CD2-CG2 3.77Å; L277-I284 HydrophobicContact CG-CG2 4.15Å; I284-L297 HydrophobicContact CG2-CB 4.37Å; I284-L297 HydrophobicContact CG2-CD1 4.22Å; I284-L297 PolarHBondContact O-N 3.42Å; I284-T298 HydrophobicContact CB-CG2 4.07Å; I284-T298 HydrophobicContact CD1-CG2 4.04Å; I284-T298 HydrophobicContact CG1-CG2 4.38Å; I284-T298 PolarHBondContact N-O 2.98Å; I284-T298 PolarHBondContact O-N 3.2Å; I284-F300 HydrophobicContact CD1-CE1 4.42Å; I284-F300 HydrophobicContact CG1-CE1 3.91Å; I284-F300 HydrophobicContact CG1-CZ 4.42Å; I284-I303 HydrophobicContact CD1-CD1 3.79Å; I284-I320 HydrophobicContact CD1-CD1 4.29Å; I284-I346 HydrophobicContact CD1-CD1 3.92Å; I284-I346 HydrophobicContact CD1-CG1 4.09Å; I284-I346 HydrophobicContact CD1-CG2 4.12Å
285	R	94.8	Very high	89.2	Confident	17 Å²	17	51.7 Å²	51.7	6%	0.064	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	155.4	-179.6	-76.1	153.1	-72.1	138.1	-3.5	112.7	E260 L277 V278 R282 G283 A294 L295 F296	E260-R285 VanDerWaalsContact CD-NH1 3.25Å; E260-R285 IonicContact OE1-CZ 3.21Å; E260-R285 IonicContact OE1-NH1 2.81Å; E260-R285 PolarHBondContact OE1-NH1 3.42Å; E260-R285 IonicContact OE1-NH2 2.96Å; E260-R285 PolarHBondContact OE1-NH2 3.42Å; E260-R285 IonicContact OE2-CZ 2.8Å; E260-R285 IonicContact OE2-NH1 2.96Å; E260-R285 PolarHBondContact OE2-NH1 2.96Å; L277-R285 CarbonylContact C-O 3.6Å; L277-R285 WeakPolarHBondContact CA-O 3.43Å; V278-R285 HydrophobicContact CB-CB 4.41Å; V278-R285 PolarHBondContact N-O 2.93Å; V278-R285 PolarHBondContact O-N 3.37Å; R282-R285 PolarHBondContact O-NE 3.37Å; G283-R285 PolarHBondContact O-NE 2.94Å; G283-R285 VanDerWaalsContact O-NE 3.11Å; G283-R285 PolarHBondContact O-NH2 3.35Å; R285-A294 HydrophobicContact CB-CB 3.96Å; R285-L295 CarbonylContact C-O 3.44Å; R285-L295 WeakPolarHBondContact CA-O 3.37Å; R285-L295 VanDerWaalsContact CB-O 3.28Å; R285-L295 WeakPolarHBondContact CB-O 3.41Å; R285-L295 WeakPolarHBondContact CG-O 3.48Å; R285-F296 HydrophobicContact CG-CB 4.43Å; R285-F296 HydrophobicContact CG-CD2 4.16Å
286	Q	93.7	Very high	89.2	Confident	26 Å²	26	56.8 Å²	56.8	12%	0.121	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	137.6	176.1	179.5	-171.2	-26.7	0	0	110.6	L267 V275 A294 L295 L297	L267-Q286 HydrophobicContact CD1-CG 4.21Å; V275-Q286 HydrophobicContact CB-CG 3.95Å; V275-Q286 HydrophobicContact CG1-CG 3.79Å; V275-Q286 HydrophobicContact CG2-CG 4.25Å; Q286-A294 CarbonylContact O-C 3.51Å; Q286-A294 VanDerWaalsContact O-CA 3.26Å; Q286-A294 WeakPolarHBondContact O-CA 3.47Å; Q286-L295 PolarHBondContact N-O 3.02Å; Q286-L295 PolarHBondContact O-N 3.42Å; Q286-L297 HydrophobicContact CB-CD1 4.09Å; Q286-L297 HydrophobicContact CB-CD2 4.19Å; Q286-L297 HydrophobicContact CB-CG 4.13Å
287	R	92.1	Very high	89.1	Confident	58 Å²	58	58 Å²	58	22%	0.219	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131	172.6	-177.9	170.1	70.8	-172.1	-9.4	110.1	E276 V278 Q289 K290 S292 A294	E276-R287 HydrophobicContact CB-CB 4.36Å; E276-R287 PolarHBondContact N-O 3.49Å; E276-R287 PolarHBondContact O-N 3.08Å; E276-R287 IonicContact OE2-CZ 2.88Å; E276-R287 IonicContact OE2-NE 2.73Å; E276-R287 PolarHBondContact OE2-NE 3.32Å; E276-R287 IonicContact OE2-NH2 3.69Å; E276-R287 PolarHBondContact OE2-NH2 2.95Å; V278-R287 HydrophobicContact CG2-CB 4.35Å; R287-Q289 VanDerWaalsContact CD-O 3.23Å; R287-Q289 WeakPolarHBondContact CD-O 3.34Å; R287-Q289 WeakPolarHBondContact CG-O 3.47Å; R287-K290 WeakPolarHBondContact CD-O 3.37Å; R287-K290 PolarHBondContact NE-O 3.23Å; R287-K290 PolarHBondContact NH1-O 2.99Å; R287-S292 WeakPolarHBondContact CD-O 3.5Å; R287-S292 WeakPolarHBondContact CG-OG 3.28Å; R287-A294 HydrophobicContact CB-CB 4.33Å
288	S	82.9	Confident	89.1	Confident	78 Å²	78	58.1 Å²	58.1	55%	0.545	31%	0.308	S	S	.	.	S	Bend	trans	-93.6	-25.1	-176.9	-53.9	0	0	0	0	113.5
289	Q	78.3	Confident	89	Confident	147 Å²	147	60.3 Å²	60.3	69%	0.687	32%	0.32	S	S	*	.	S	Bend	trans	-146.1	148.1	174.9	-64.8	-178.5	-7.6	0	0	109.1	R287 D291 S292	R287-Q289 VanDerWaalsContact CD-O 3.23Å; R287-Q289 WeakPolarHBondContact CD-O 3.34Å; R287-Q289 WeakPolarHBondContact CG-O 3.47Å; Q289-D291 PolarHBondContact O-N 2.96Å; Q289-S292 PolarHBondContact N-OG 3.48Å; Q289-S292 VanDerWaalsContact N-OG 3.08Å; Q289-S292 WeakPolarHBondContact O-CB 3.35Å; Q289-S292 PolarHBondContact O-N 2.84Å; Q289-S292 PolarHBondContact O-OG 3.36Å
290	K	71.9	Confident	88.9	Confident	139 Å²	139	60.2 Å²	60.2	60%	0.604	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-35.6	-169.5	-73.5	-177	174.5	-179.3	0	115.1	E276 R287	E276-K290 WeakPolarHBondContact OE1-CE 3.19Å; E276-K290 WeakPolarHBondContact OE1-CG 3.45Å; R287-K290 WeakPolarHBondContact CD-O 3.37Å; R287-K290 PolarHBondContact NE-O 3.23Å; R287-K290 PolarHBondContact NH1-O 2.99Å
291	D	72.9	Confident	88.7	Confident	168 Å²	168	65.9 Å²	65.9	90%	0.898	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	0.7	-179	-48.4	-54.5	0	0	0	113.7	Q289	Q289-D291 PolarHBondContact O-N 2.96Å
292	S	81.4	Confident	88.8	Confident	43 Å²	43	69.2 Å²	69.2	30%	0.301	36%	0.357	S	S	.	.	S	Bend	trans	-81.5	145.3	177	67.4	0	0	0	0	112.3	R287 Q289 A294	R287-S292 WeakPolarHBondContact CD-O 3.5Å; R287-S292 WeakPolarHBondContact CG-OG 3.28Å; Q289-S292 PolarHBondContact N-OG 3.48Å; Q289-S292 VanDerWaalsContact N-OG 3.08Å; Q289-S292 WeakPolarHBondContact O-CB 3.35Å; Q289-S292 PolarHBondContact O-N 2.84Å; Q289-S292 PolarHBondContact O-OG 3.36Å; S292-A294 PolarHBondContact O-N 2.87Å
293	A	83.1	Confident	88.9	Confident	89 Å²	89	64.2 Å²	64.2	74%	0.736	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-63	130	176	0	0	0	0	0	110.9	L295	A293-L295 PolarHBondContact O-N 3.09Å
294	A	88.1	Confident	88.8	Confident	41 Å²	41	70 Å²	70	34%	0.339	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-76.5	122.5	-176.6	0	0	0	0	0	111.4	R285 Q286 R287 S292	R285-A294 HydrophobicContact CB-CB 3.96Å; Q286-A294 CarbonylContact O-C 3.51Å; Q286-A294 VanDerWaalsContact O-CA 3.26Å; Q286-A294 WeakPolarHBondContact O-CA 3.47Å; R287-A294 HydrophobicContact CB-CB 4.33Å; S292-A294 PolarHBondContact O-N 2.87Å
295	L	91.8	Very high	88.7	Confident	110 Å²	110	73.4 Å²	73.4	58%	0.576	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	137.9	178.7	-61.1	175.6	0	0	0	110.5	R285 Q286 A293	R285-L295 CarbonylContact C-O 3.44Å; R285-L295 WeakPolarHBondContact CA-O 3.37Å; R285-L295 VanDerWaalsContact CB-O 3.28Å; R285-L295 WeakPolarHBondContact CB-O 3.41Å; R285-L295 WeakPolarHBondContact CG-O 3.48Å; Q286-L295 PolarHBondContact N-O 3.02Å; Q286-L295 PolarHBondContact O-N 3.42Å; A293-L295 PolarHBondContact O-N 3.09Å
296	F	94	Very high	88.7	Confident	116 Å²	116	72.6 Å²	72.6	51%	0.509	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	133.9	178.8	-171.9	-97.4	0	0	0	111.8	R285 D299	R285-F296 HydrophobicContact CG-CB 4.43Å; R285-F296 HydrophobicContact CG-CD2 4.16Å; F296-D299 HydrophobicContact CZ-CB 3.99Å
297	L	92.7	Very high	88.6	Confident	58 Å²	58	73.8 Å²	73.8	30%	0.304	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-54.6	175.3	-63.2	-177.8	0	0	0	112.2	L267 I284 Q286 L329	L267-L297 HydrophobicContact CD1-CD1 4.44Å; I284-L297 HydrophobicContact CG2-CB 4.37Å; I284-L297 HydrophobicContact CG2-CD1 4.22Å; I284-L297 PolarHBondContact O-N 3.42Å; Q286-L297 HydrophobicContact CB-CD1 4.09Å; Q286-L297 HydrophobicContact CB-CD2 4.19Å; Q286-L297 HydrophobicContact CB-CG 4.13Å; L297-L329 HydrophobicContact CD1-CD1 4.39Å; L297-L329 HydrophobicContact CD1-CD2 4.15Å
298	T	93.9	Very high	88.6	Confident	3 Å²	3	72.8 Å²	72.8	2%	0.018	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	152.9	-177	-172.3	0	0	0	0	113	I284 Q302 I303 V322	I284-T298 HydrophobicContact CB-CG2 4.07Å; I284-T298 HydrophobicContact CD1-CG2 4.04Å; I284-T298 HydrophobicContact CG1-CG2 4.38Å; I284-T298 PolarHBondContact N-O 2.98Å; I284-T298 PolarHBondContact O-N 3.2Å; T298-Q302 PolarHBondContact OG1-OE1 2.91Å; T298-I303 HydrophobicContact CG2-CD1 4.32Å; T298-I303 HydrophobicContact CG2-CG1 4.38Å; T298-V322 HydrophobicContact CG2-CG2 4.23Å; T298-V322 VanDerWaalsContact OG1-CG1 3.29Å; T298-V322 WeakPolarHBondContact OG1-CG1 3.46Å
299	D	93.4	Very high	88.9	Confident	51 Å²	51	72.6 Å²	72.6	27%	0.273	38%	0.375	S	S	.	.			trans	-89.7	146.5	174.4	-170.1	-82.8	0	0	0	110.4	F296 K301 Q302	F296-D299 HydrophobicContact CZ-CB 3.99Å; D299-K301 PolarHBondContact O-N 3.36Å; D299-K301 VanDerWaalsContact OD1-CB 3.31Å; D299-K301 WeakPolarHBondContact OD1-CB 3.41Å; D299-K301 WeakPolarHBondContact OD1-CG 3.45Å; D299-K301 PolarHBondContact OD1-N 3.03Å; D299-Q302 HydrophobicContact CB-CG 4.08Å; D299-Q302 VanDerWaalsContact N-OE1 3.12Å; D299-Q302 WeakPolarHBondContact O-CB 3.44Å; D299-Q302 PolarHBondContact O-N 2.88Å
300	F	94.3	Very high	89.1	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-62.8	-27.2	-177.3	-60.8	-69.9	0	0	0	112.9	I279 G280 I284 Q302 I303 I346 Y349 C350	I279-F300 HydrophobicContact CG2-CE1 4.15Å; I279-F300 HydrophobicContact CG2-CZ 3.96Å; G280-F300 WeakPolarHBondContact O-CE2 3.48Å; I284-F300 HydrophobicContact CD1-CE1 4.42Å; I284-F300 HydrophobicContact CG1-CE1 3.91Å; I284-F300 HydrophobicContact CG1-CZ 4.42Å; F300-Q302 PolarHBondContact O-N 3.15Å; F300-I303 HydrophobicContact CD1-CD1 4.17Å; F300-I303 PolarHBondContact O-N 3.26Å; F300-I346 HydrophobicContact CD1-CG2 4.2Å; F300-I346 HydrophobicContact CE1-CG2 4.29Å; F300-Y349 HydrophobicContact CD1-CG 4.42Å; F300-Y349 HydrophobicContact CD2-CD1 4.39Å; F300-Y349 HydrophobicContact CD2-CG 4.13Å; F300-Y349 HydrophobicContact CE1-CD2 4.01Å; F300-Y349 AromaticContact CE1-CG 3.97Å; F300-Y349 HydrophobicContact CE1-CG 3.97Å; F300-Y349 AromaticContact CE2-CD1 3.91Å; F300-Y349 HydrophobicContact CE2-CD1 3.91Å; F300-Y349 HydrophobicContact CE2-CD2 4.08Å; F300-Y349 AromaticContact CE2-CG 3.61Å; F300-Y349 HydrophobicContact CE2-CG 3.61Å; F300-Y349 HydrophobicContact CG-CG 4.5Å; F300-Y349 HydrophobicContact CZ-CD1 4.25Å; F300-Y349 AromaticContact CZ-CD2 3.56Å; F300-Y349 HydrophobicContact CZ-CD2 3.56Å; F300-Y349 HydrophobicContact CZ-CE2 4.35Å; F300-Y349 AromaticContact CZ-CG 3.53Å; F300-Y349 HydrophobicContact CZ-CG 3.53Å; F300-C350 PolarHBondContact O-SG 2.79Å
301	K	90.9	Very high	89.5	Confident	119 Å²	119	68 Å²	68	52%	0.517	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-71.9	-14.3	176.5	-61.5	167.9	-173.7	163.8	0	113.5	D299 E353	D299-K301 PolarHBondContact O-N 3.36Å; D299-K301 VanDerWaalsContact OD1-CB 3.31Å; D299-K301 WeakPolarHBondContact OD1-CB 3.41Å; D299-K301 WeakPolarHBondContact OD1-CG 3.45Å; D299-K301 PolarHBondContact OD1-N 3.03Å; K301-E353 VanDerWaalsContact CE-OE2 3.31Å; K301-E353 WeakPolarHBondContact CE-OE2 3.49Å; K301-E353 HydrophobicContact CG-CB 4.35Å; K301-E353 IonicContact NZ-OE2 3.95Å
302	Q	92.9	Very high	89.3	Confident	76 Å²	76	66.6 Å²	66.6	36%	0.355	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-88.3	-13.3	175.7	-60.5	170.1	-22.1	0	0	112.2	T298 D299 F300 K304 V322 E323	T298-Q302 PolarHBondContact OG1-OE1 2.91Å; D299-Q302 HydrophobicContact CB-CG 4.08Å; D299-Q302 VanDerWaalsContact N-OE1 3.12Å; D299-Q302 WeakPolarHBondContact O-CB 3.44Å; D299-Q302 PolarHBondContact O-N 2.88Å; F300-Q302 PolarHBondContact O-N 3.15Å; Q302-K304 PolarHBondContact O-N 3.12Å; Q302-V322 HydrophobicContact CB-CG1 3.83Å; Q302-V322 CarbonylContact O-C 3.58Å; Q302-V322 WeakPolarHBondContact O-CA 3.42Å; Q302-E323 HydrophobicContact CB-CB 4.43Å; Q302-E323 PolarHBondContact O-N 3.46Å
303	I	94.6	Very high	88.8	Confident	8 Å²	8	70.1 Å²	70.1	4%	0.041	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	119.2	-174.8	-61.1	177.3	0	0	0	109.6	I284 T298 F300 I306 I320 I346 V360	I284-I303 HydrophobicContact CD1-CD1 3.79Å; T298-I303 HydrophobicContact CG2-CD1 4.32Å; T298-I303 HydrophobicContact CG2-CG1 4.38Å; F300-I303 HydrophobicContact CD1-CD1 4.17Å; F300-I303 PolarHBondContact O-N 3.26Å; I303-I306 HydrophobicContact CG2-CD1 4.34Å; I303-I306 HydrophobicContact CG2-CG1 3.91Å; I303-I320 HydrophobicContact CB-CG2 4.44Å; I303-I320 HydrophobicContact CD1-CG2 4.1Å; I303-I320 HydrophobicContact CG1-CG2 4Å; I303-I320 HydrophobicContact CG2-CG2 3.73Å; I303-I346 HydrophobicContact CD1-CG2 3.49Å; I303-I346 VanDerWaalsContact CD1-CG2 3.49Å; I303-V360 HydrophobicContact CG2-CG2 4.29Å
304	K	91.8	Very high	88.4	Confident	122 Å²	122	72.5 Å²	72.5	53%	0.53	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-24.5	-177.7	-70.7	-167	164.5	179.9	0	114.7	Q302 S321 E323	Q302-K304 PolarHBondContact O-N 3.12Å; K304-S321 PolarHBondContact N-O 3.24Å; K304-E323 WeakPolarHBondContact CE-OE2 3.43Å; K304-E323 IonicContact NZ-OE1 3.63Å; K304-E323 PolarHBondContact NZ-OE1 3.28Å; K304-E323 IonicContact NZ-OE2 2.85Å; K304-E323 PolarHBondContact NZ-OE2 2.81Å
305	K	93.5	Very high	88.4	Confident	72 Å²	72	73.5 Å²	73.5	31%	0.313	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	137.1	-178.6	169.8	164.7	164.4	162.1	0	110.8	Q307 S321 V360 Y362	K305-Q307 VanDerWaalsContact CE-OE1 3.23Å; K305-S321 PolarHBondContact O-N 2.94Å; K305-V360 CarbonylContact C-O 3.56Å; K305-V360 WeakPolarHBondContact CA-O 3.49Å; K305-Y362 HydrophobicContact CD-CD2 4.31Å; K305-Y362 HydrophobicContact CD-CG 4.11Å; K305-Y362 VanDerWaalsContact CE-CG 3.41Å; K305-Y362 VanDerWaalsContact NZ-CD2 3.29Å
306	I	94.4	Very high	88.4	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	137.5	170.4	-51.4	174.2	0	0	0	108.1	I303 I320 M343 I346 V360 I361 Y362	I303-I306 HydrophobicContact CG2-CD1 4.34Å; I303-I306 HydrophobicContact CG2-CG1 3.91Å; I306-I320 HydrophobicContact CG2-CG1 4.41Å; I306-M343 HydrophobicContact CG2-CB 4.46Å; I306-M343 HydrophobicContact CG2-CG 3.72Å; I306-M343 HydrophobicContact CG2-SD 4.09Å; I306-I346 HydrophobicContact CD1-CB 3.88Å; I306-I346 HydrophobicContact CD1-CG2 3.56Å; I306-V360 HydrophobicContact CD1-CG2 3.69Å; I306-V360 HydrophobicContact CG1-CG2 3.88Å; I306-V360 PolarHBondContact N-O 3.03Å; I306-I361 HydrophobicContact CB-CG1 4.49Å; I306-Y362 PolarHBondContact O-N 3.2Å
307	Q	92.8	Very high	88.4	Confident	52 Å²	52	64.1 Å²	64.1	24%	0.243	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	128.1	176	-177.6	173.4	-13.1	0	0	110.6	K305 L309 N319 Y362	K305-Q307 VanDerWaalsContact CE-OE1 3.23Å; Q307-L309 HydrophobicContact CG-CD2 4.49Å; Q307-N319 PolarHBondContact N-O 2.87Å; Q307-N319 PolarHBondContact O-N 2.92Å; Q307-Y362 HydrophobicContact CG-CD1 4.36Å
308	C	91.6	Very high	88.5	Confident	36 Å²	36	61.3 Å²	61.3	24%	0.243	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	142.6	170.1	-178	0	0	0	0	110.8	L317 L318 M343	C308-L317 CarbonylContact C-O 3.59Å; C308-L317 WeakPolarHBondContact CA-O 3.34Å; C308-L318 HydrophobicContact CB-CD1 4.11Å; C308-M343 HydrophobicContact CB-CE 3.62Å; C308-M343 HydrophobicContact CB-SD 3.62Å
309	L	89.4	Confident	88.5	Confident	75 Å²	75	62.6 Å²	62.6	39%	0.393	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.2	170.2	-60.3	175.6	0	0	0	109.1	Q307 L317 N319	Q307-L309 HydrophobicContact CG-CD2 4.49Å; L309-L317 HydrophobicContact CB-CB 4.44Å; L309-L317 PolarHBondContact N-O 2.66Å; L309-L317 PolarHBondContact O-N 2.69Å; L309-N319 WeakPolarHBondContact CD1-ND2 3.41Å
310	T	82.5	Confident	88.5	Confident	108 Å²	108	60.2 Å²	60.2	66%	0.663	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	132.1	173.4	50.1	0	0	0	0	110.6	V336	T310-V336 HydrophobicContact CG2-CG2 4.01Å
311	Q	80.3	Confident	88.5	Confident	81 Å²	81	62.2 Å²	62.2	38%	0.379	32%	0.322	S	S	.	.			trans	-94.9	176.1	170.9	-59.8	-172.1	-22.5	0	0	110.7	D313 K315 L317	Q311-D313 VanDerWaalsContact C-N 3.26Å; Q311-D313 PolarHBondContact O-N 3.29Å; Q311-K315 HydrophobicContact CB-CB 4.33Å; Q311-K315 WeakPolarHBondContact CB-O 3.27Å; Q311-K315 PolarHBondContact N-O 3.03Å; Q311-L317 HydrophobicContact CG-CB 4.39Å
312	T	68.7	Low	88.6	Confident	139 Å²	139	57.5 Å²	57.5	85%	0.853	30%	0.304	S	S	*	.	S	Bend	trans	-74.1	-13.5	-177.6	43	0	0	0	0	114.7
313	D	70.4	Confident	88.5	Confident	117 Å²	117	59.2 Å²	59.2	63%	0.626	31%	0.312	S	S	*	.	S	Bend	trans	-117.2	34.1	-163.2	-57.7	18.2	0	0	0	110.8	Q311 K315	Q311-D313 VanDerWaalsContact C-N 3.26Å; Q311-D313 PolarHBondContact O-N 3.29Å; D313-K315 PolarHBondContact O-N 3Å
314	D	74.7	Confident	88	Confident	139 Å²	139	62.7 Å²	62.7	74%	0.743	35%	0.349	S	S	*	.	S	Bend	trans	56	-12.4	-168.6	-64.4	-38.9	0	0	0	116.7
315	K	87.6	Confident	87.8	Confident	62 Å²	62	59.4 Å²	59.4	27%	0.27	35%	0.345	S	S	.	.			trans	-57.8	150	169.1	-75.1	-170.6	169.1	-169.9	0	112.1	E266 Q311 D313 V333	E266-K315 IonicContact OE1-NZ 3.3Å; E266-K315 PolarHBondContact OE1-NZ 2.87Å; E266-K315 IonicContact OE2-NZ 2.79Å; E266-K315 PolarHBondContact OE2-NZ 3.22Å; Q311-K315 HydrophobicContact CB-CB 4.33Å; Q311-K315 WeakPolarHBondContact CB-O 3.27Å; Q311-K315 PolarHBondContact N-O 3.03Å; D313-K315 PolarHBondContact O-N 3Å; K315-V333 WeakPolarHBondContact CA-O 3.35Å
316	A	92.1	Very high	87.1	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	145.7	174.3	0	0	0	0	0	111.2	S332 V333 V336 A339	A316-S332 WeakPolarHBondContact O-CA 3.45Å; A316-V333 HydrophobicContact CB-CG2 3.93Å; A316-V333 PolarHBondContact N-O 2.7Å; A316-V333 WeakPolarHBondContact O-CG2 3.48Å; A316-V333 PolarHBondContact O-N 3.46Å; A316-V336 HydrophobicContact CB-CG2 4.18Å; A316-A339 HydrophobicContact CB-CB 3.54Å
317	L	93.6	Very high	86.7	Confident	28 Å²	28	72.9 Å²	72.9	15%	0.147	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	108.8	178.7	-176.3	70.7	0	0	0	110	V268 C308 L309 Q311 I331	V268-L317 HydrophobicContact CG2-CD1 4.3Å; C308-L317 CarbonylContact C-O 3.59Å; C308-L317 WeakPolarHBondContact CA-O 3.34Å; L309-L317 HydrophobicContact CB-CB 4.44Å; L309-L317 PolarHBondContact N-O 2.66Å; L309-L317 PolarHBondContact O-N 2.69Å; Q311-L317 HydrophobicContact CG-CB 4.39Å; L317-I331 CarbonylContact C-O 3.56Å; L317-I331 WeakPolarHBondContact CA-O 3.46Å
318	L	94.5	Very high	86.5	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	126.8	168.2	-105.6	64.6	0	0	0	109.7	C308 S330 I331 A339 M342 M343	C308-L318 HydrophobicContact CB-CD1 4.11Å; L318-S330 CarbonylContact O-C 3.44Å; L318-S330 WeakPolarHBondContact O-CA 3.4Å; L318-I331 HydrophobicContact CB-CB 4.17Å; L318-I331 PolarHBondContact N-O 3.07Å; L318-I331 PolarHBondContact O-N 2.97Å; L318-A339 HydrophobicContact CD1-CB 3.31Å; L318-M342 HydrophobicContact CD2-CB 3.96Å; L318-M343 HydrophobicContact CD1-CG 3.95Å; L318-M343 HydrophobicContact CD1-SD 4.38Å; L318-M343 HydrophobicContact CD2-CG 3.88Å; L318-M343 HydrophobicContact CG-CG 3.96Å
319	N	93.7	Very high	86.5	Confident	30 Å²	30	72.8 Å²	72.8	16%	0.16	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	114.4	168.8	-68.8	-37.8	0	0	0	109	Q307 L309 S330	Q307-N319 PolarHBondContact N-O 2.87Å; Q307-N319 PolarHBondContact O-N 2.92Å; L309-N319 WeakPolarHBondContact CD1-ND2 3.41Å; N319-S330 WeakPolarHBondContact OD1-CB 3.47Å; N319-S330 PolarHBondContact OD1-OG 3.22Å
320	I	94.8	Very high	86.8	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	121.4	178.1	-55.2	173.9	0	0	0	108.6	I284 I303 I306 V322 N328 L329 I331 I346	I284-I320 HydrophobicContact CD1-CD1 4.29Å; I303-I320 HydrophobicContact CB-CG2 4.44Å; I303-I320 HydrophobicContact CD1-CG2 4.1Å; I303-I320 HydrophobicContact CG1-CG2 4Å; I303-I320 HydrophobicContact CG2-CG2 3.73Å; I306-I320 HydrophobicContact CG2-CG1 4.41Å; I320-V322 HydrophobicContact CG2-CG2 4.13Å; I320-N328 CarbonylContact O-C 3.18Å; I320-N328 WeakPolarHBondContact O-CA 3.37Å; I320-N328 WeakPolarHBondContact O-CB 3.25Å; I320-L329 HydrophobicContact CB-CB 4.29Å; I320-L329 HydrophobicContact CD1-CD2 4.48Å; I320-L329 PolarHBondContact N-O 2.88Å; I320-L329 PolarHBondContact O-N 3.02Å; I320-I331 HydrophobicContact CD1-CD1 3.69Å; I320-I346 HydrophobicContact CD1-CD1 3.73Å
321	S	93.8	Very high	87.4	Confident	42 Å²	42	65.3 Å²	65.3	29%	0.294	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	122.5	176.7	-152.1	0	0	0	0	110.5	K304 K305 N328	K304-S321 PolarHBondContact N-O 3.24Å; K305-S321 PolarHBondContact O-N 2.94Å; S321-N328 WeakPolarHBondContact CA-OD1 3.48Å; S321-N328 VanDerWaalsContact CB-OD1 3.32Å; S321-N328 WeakPolarHBondContact CB-OD1 3.5Å; S321-N328 PolarHBondContact OG-OD1 3.03Å
322	V	92.8	Very high	88	Confident	21 Å²	21	61.7 Å²	61.7	13%	0.127	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	132.7	-171.2	179.6	0	0	0	0	109.8	T298 Q302 I320 G324 A325	T298-V322 HydrophobicContact CG2-CG2 4.23Å; T298-V322 VanDerWaalsContact OG1-CG1 3.29Å; T298-V322 WeakPolarHBondContact OG1-CG1 3.46Å; Q302-V322 HydrophobicContact CB-CG1 3.83Å; Q302-V322 CarbonylContact O-C 3.58Å; Q302-V322 WeakPolarHBondContact O-CA 3.42Å; I320-V322 HydrophobicContact CG2-CG2 4.13Å; V322-G324 PolarHBondContact O-N 3.15Å; V322-A325 HydrophobicContact CB-CB 3.97Å; V322-A325 HydrophobicContact CG1-CB 4.4Å; V322-A325 WeakPolarHBondContact O-CB 3.36Å; V322-A325 PolarHBondContact O-N 3.28Å; V322-A325 VanDerWaalsContact O-N 3.13Å
323	E	90.6	Very high	89.2	Confident	112 Å²	112	55.2 Å²	55.2	52%	0.523	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	129.8	176.1	177.1	114.3	-108.3	0	0	111.5	Q302 K304 A325	Q302-E323 HydrophobicContact CB-CB 4.43Å; Q302-E323 PolarHBondContact O-N 3.46Å; K304-E323 WeakPolarHBondContact CE-OE2 3.43Å; K304-E323 IonicContact NZ-OE1 3.63Å; K304-E323 PolarHBondContact NZ-OE1 3.28Å; K304-E323 IonicContact NZ-OE2 2.85Å; K304-E323 PolarHBondContact NZ-OE2 2.81Å; E323-A325 PolarHBondContact O-N 3.27Å
324	G	84.7	Confident	90.2	Very high	80 Å²	80	52.9 Å²	52.9	83%	0.825	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	-11.6	-179.6	0	0	0	0	0	115.2	V322	V322-G324 PolarHBondContact O-N 3.15Å
325	A	88.3	Confident	91	Very high	53 Å²	53	48 Å²	48	44%	0.438	28%	0.281	S	S	.	.			trans	-76.2	135.4	175.5	0	0	0	0	0	111.3	V322 E323 Q327	V322-A325 HydrophobicContact CB-CB 3.97Å; V322-A325 HydrophobicContact CG1-CB 4.4Å; V322-A325 WeakPolarHBondContact O-CB 3.36Å; V322-A325 PolarHBondContact O-N 3.28Å; V322-A325 VanDerWaalsContact O-N 3.13Å; E323-A325 PolarHBondContact O-N 3.27Å; A325-Q327 VanDerWaalsContact C-N 3.3Å; A325-Q327 WeakPolarHBondContact CB-O 2.86Å
326	K	78.9	Confident	91.1	Very high	214 Å²	214	47.5 Å²	47.5	93%	0.93	28%	0.282	S	S	*	.	S	Bend	trans	-79.8	-11.6	177	-67.2	-175.3	179	-180	0	113.9
327	Q	84.9	Confident	91	Very high	142 Å²	142	49.6 Å²	49.6	66%	0.664	30%	0.296	S	S	*	.	S	Bend	trans	-142.5	149	178.8	-64.7	-176.9	2.6	0	0	108	A325	A325-Q327 VanDerWaalsContact C-N 3.3Å; A325-Q327 WeakPolarHBondContact CB-O 2.86Å
328	N	89.6	Confident	90.9	Very high	70 Å²	70	51.1 Å²	51.1	37%	0.374	30%	0.303	S	S	.	.			trans	-69.9	151.1	173.6	-66.8	-22.1	0	0	0	110.5	I320 S321 S330	I320-N328 CarbonylContact O-C 3.18Å; I320-N328 WeakPolarHBondContact O-CA 3.37Å; I320-N328 WeakPolarHBondContact O-CB 3.25Å; S321-N328 WeakPolarHBondContact CA-OD1 3.48Å; S321-N328 VanDerWaalsContact CB-OD1 3.32Å; S321-N328 WeakPolarHBondContact CB-OD1 3.5Å; S321-N328 PolarHBondContact OG-OD1 3.03Å; N328-S330 PolarHBondContact O-N 2.93Å; N328-S330 PolarHBondContact O-OG 3.17Å
329	L	91.6	Very high	90.9	Very high	16 Å²	16	51.1 Å²	51.1	8%	0.084	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	103.9	167.4	175.8	61.9	0	0	0	108.3	L267 L297 I320 I331	L267-L329 HydrophobicContact CD2-CD1 4.04Å; L297-L329 HydrophobicContact CD1-CD1 4.39Å; L297-L329 HydrophobicContact CD1-CD2 4.15Å; I320-L329 HydrophobicContact CB-CB 4.29Å; I320-L329 HydrophobicContact CD1-CD2 4.48Å; I320-L329 PolarHBondContact N-O 2.88Å; I320-L329 PolarHBondContact O-N 3.02Å; L329-I331 HydrophobicContact CD2-CD1 4.34Å; L329-I331 HydrophobicContact CG-CD1 4.23Å; L329-I331 HydrophobicContact CG-CG1 4.13Å
330	S	94	Very high	90.8	Very high	25 Å²	25	52 Å²	52	18%	0.175	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	126.4	-178.6	-37.6	0	0	0	0	110.5	V268 L318 N319 N328	V268-S330 PolarHBondContact N-O 2.91Å; V268-S330 WeakPolarHBondContact O-CB 3.28Å; L318-S330 CarbonylContact O-C 3.44Å; L318-S330 WeakPolarHBondContact O-CA 3.4Å; N319-S330 WeakPolarHBondContact OD1-CB 3.47Å; N319-S330 PolarHBondContact OD1-OG 3.22Å; N328-S330 PolarHBondContact O-N 2.93Å; N328-S330 PolarHBondContact O-OG 3.17Å
331	I	95.1	Very high	90.9	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	112.6	-171.4	-50.5	166.8	0	0	0	109	C265 L267 L277 L317 L318 I320 L329 V333 M342	C265-I331 HydrophobicContact CB-CG2 3.7Å; L267-I331 HydrophobicContact CD2-CG1 3.93Å; L267-I331 HydrophobicContact CD2-CG2 4.48Å; L277-I331 HydrophobicContact CD1-CD1 3.7Å; L277-I331 HydrophobicContact CD1-CG1 4.29Å; L277-I331 HydrophobicContact CD1-CG2 4.35Å; L317-I331 CarbonylContact C-O 3.56Å; L317-I331 WeakPolarHBondContact CA-O 3.46Å; L318-I331 HydrophobicContact CB-CB 4.17Å; L318-I331 PolarHBondContact N-O 3.07Å; L318-I331 PolarHBondContact O-N 2.97Å; I320-I331 HydrophobicContact CD1-CD1 3.69Å; L329-I331 HydrophobicContact CD2-CD1 4.34Å; L329-I331 HydrophobicContact CG-CD1 4.23Å; L329-I331 HydrophobicContact CG-CG1 4.13Å; I331-V333 HydrophobicContact CG2-CG1 4.06Å; I331-M342 HydrophobicContact CG2-CE 4.47Å
332	S	94.1	Very high	91	Very high	4 Å²	4	50.7 Å²	50.7	3%	0.028	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	130.3	172.2	156.7	0	0	0	0	109.9	C265 E266 A316	C265-S332 WeakPolarHBondContact CB-O 3.3Å; E266-S332 PolarHBondContact N-O 2.96Å; E266-S332 PolarHBondContact O-N 3.44Å; E266-S332 PolarHBondContact OE2-OG 3.08Å; A316-S332 WeakPolarHBondContact O-CA 3.45Å
333	V	94.3	Very high	91.1	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.018	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	156.7	179.9	-59.6	0	0	0	0	111.4	C265 K315 A316 I331 S335 I338 A339 M342	C265-V333 HydrophobicContact CB-CG1 3.91Å; K315-V333 WeakPolarHBondContact CA-O 3.35Å; A316-V333 HydrophobicContact CB-CG2 3.93Å; A316-V333 PolarHBondContact N-O 2.7Å; A316-V333 WeakPolarHBondContact O-CG2 3.48Å; A316-V333 PolarHBondContact O-N 3.46Å; I331-V333 HydrophobicContact CG2-CG1 4.06Å; V333-S335 VanDerWaalsContact C-N 3.29Å; V333-S335 PolarHBondContact O-N 3.11Å; V333-I338 HydrophobicContact CB-CG2 3.97Å; V333-I338 HydrophobicContact CG1-CG2 4.28Å; V333-I338 HydrophobicContact CG2-CB 4.41Å; V333-I338 HydrophobicContact CG2-CG2 4.25Å; V333-A339 HydrophobicContact CG2-CB 3.77Å; V333-M342 HydrophobicContact CG1-SD 3.76Å
334	A	91.4	Very high	91.4	Very high	69 Å²	69	45.3 Å²	45.3	57%	0.57	27%	0.27	S	S	*	.	S	Bend	trans	-67.7	-18.9	-169.3	0	0	0	0	0	115.6	I338	A334-I338 HydrophobicContact CB-CD1 4.24Å
335	S	90.6	Very high	92	Very high	37 Å²	37	41.6 Å²	41.6	26%	0.259	23%	0.231	S	C	.	.			trans	-158.9	160.1	178.3	70.4	0	0	0	0	113.2	V333 I338 A339	V333-S335 VanDerWaalsContact C-N 3.29Å; V333-S335 PolarHBondContact O-N 3.11Å; S335-I338 PolarHBondContact O-N 3.38Å; S335-I338 WeakPolarHBondContact OG-CG1 3.37Å; S335-A339 PolarHBondContact O-N 3.14Å
336	V	89.4	Confident	92.4	Very high	50 Å²	50	39 Å²	39	30%	0.303	21%	0.21	S	C	.	.	H	α-helix	trans	-59.8	-42.5	176.3	-178.1	0	0	0	0	113.1	T310 A316 I338 A339 E340	T310-V336 HydrophobicContact CG2-CG2 4.01Å; A316-V336 HydrophobicContact CB-CG2 4.18Å; V336-I338 VanDerWaalsContact C-N 3.3Å; V336-I338 PolarHBondContact O-N 2.89Å; V336-A339 CarbonylContact O-C 3.51Å; V336-A339 WeakPolarHBondContact O-CA 3.35Å; V336-A339 VanDerWaalsContact O-CB 3.3Å; V336-A339 WeakPolarHBondContact O-CB 3.46Å; V336-A339 PolarHBondContact O-N 2.91Å; V336-E340 HydrophobicContact CG1-CG 4.37Å; V336-E340 PolarHBondContact O-N 3.43Å
337	P	90.1	Very high	93.2	Very high	45 Å²	45	28.9 Å²	28.9	29%	0.292	17%	0.166	S	C	.	.	H	α-helix	trans	-59.4	-35.4	174.1	-29.7	38.3	0	0	0	114.3	A339 E340 N341	P337-A339 VanDerWaalsContact C-N 3.34Å; P337-E340 PolarHBondContact O-N 3.31Å; P337-N341 VanDerWaalsContact O-CB 3.24Å; P337-N341 WeakPolarHBondContact O-CB 3.09Å; P337-N341 PolarHBondContact O-N 3.41Å; P337-N341 PolarHBondContact O-ND2 3.27Å
338	I	92.4	Very high	93.7	Very high	59 Å²	59	22.1 Å²	22.1	30%	0.303	14%	0.135	S	C	.	.	H	α-helix	trans	-65.9	-40.9	174.2	-65.8	168.7	0	0	0	110	F263 V333 A334 S335 V336 N341 M342	F263-I338 HydrophobicContact CD1-CG2 4.14Å; V333-I338 HydrophobicContact CB-CG2 3.97Å; V333-I338 HydrophobicContact CG1-CG2 4.28Å; V333-I338 HydrophobicContact CG2-CB 4.41Å; V333-I338 HydrophobicContact CG2-CG2 4.25Å; A334-I338 HydrophobicContact CB-CD1 4.24Å; S335-I338 PolarHBondContact O-N 3.38Å; S335-I338 WeakPolarHBondContact OG-CG1 3.37Å; V336-I338 VanDerWaalsContact C-N 3.3Å; V336-I338 PolarHBondContact O-N 2.89Å; I338-N341 PolarHBondContact O-N 3.09Å; I338-M342 HydrophobicContact CG2-SD 4.17Å; I338-M342 WeakPolarHBondContact O-CB 3.44Å; I338-M342 VanDerWaalsContact O-CG 3.32Å; I338-M342 WeakPolarHBondContact O-CG 3.3Å; I338-M342 PolarHBondContact O-N 3.36Å
339	A	93.5	Very high	94	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61	-48.1	173.4	0	0	0	0	0	112.5	A316 L318 V333 S335 V336 P337 M342 M343	A316-A339 HydrophobicContact CB-CB 3.54Å; L318-A339 HydrophobicContact CD1-CB 3.31Å; V333-A339 HydrophobicContact CG2-CB 3.77Å; S335-A339 PolarHBondContact O-N 3.14Å; V336-A339 CarbonylContact O-C 3.51Å; V336-A339 WeakPolarHBondContact O-CA 3.35Å; V336-A339 VanDerWaalsContact O-CB 3.3Å; V336-A339 WeakPolarHBondContact O-CB 3.46Å; V336-A339 PolarHBondContact O-N 2.91Å; P337-A339 VanDerWaalsContact C-N 3.34Å; A339-M342 PolarHBondContact O-N 2.87Å; A339-M343 VanDerWaalsContact O-CG 3.3Å; A339-M343 WeakPolarHBondContact O-CG 3.48Å; A339-M343 PolarHBondContact O-N 3.5Å
340	E	92.6	Very high	94.2	Very high	50 Å²	50	18.4 Å²	18.4	23%	0.234	12%	0.115	C	C	.	.	H	α-helix	trans	-61.3	-45.7	176.8	-67	-164.7	141.2	0	0	111.6	R115 Y116 V336 P337 M342 M343 D344	R115-E340 IonicContact NH1-OE1 2.71Å; Y116-E340 PolarHBondContact OH-OE2 2.89Å; V336-E340 HydrophobicContact CG1-CG 4.37Å; V336-E340 PolarHBondContact O-N 3.43Å; P337-E340 PolarHBondContact O-N 3.31Å; E340-M342 VanDerWaalsContact C-N 3.31Å; E340-M342 PolarHBondContact O-N 3.01Å; E340-M343 HydrophobicContact CB-CE 4.49Å; E340-M343 HydrophobicContact CG-CE 4.07Å; E340-M343 PolarHBondContact O-N 3.32Å; E340-D344 PolarHBondContact O-N 3.02Å
341	N	95.4	Very high	94.2	Very high	13 Å²	13	18.3 Å²	18.3	7%	0.07	11%	0.111	C	C	.	.	H	α-helix	trans	-60	-37	176.3	-77	-37.7	0	0	0	112.9	L100 W102 R132 P337 I338 L345	L100-N341 PolarHBondContact O-ND2 3.05Å; W102-N341 PolarHBondContact N-OD1 3.34Å; R132-N341 PolarHBondContact NH1-O 3.49Å; R132-N341 PolarHBondContact NH2-O 2.84Å; P337-N341 VanDerWaalsContact O-CB 3.24Å; P337-N341 WeakPolarHBondContact O-CB 3.09Å; P337-N341 PolarHBondContact O-N 3.41Å; P337-N341 PolarHBondContact O-ND2 3.27Å; I338-N341 PolarHBondContact O-N 3.09Å; N341-L345 PolarHBondContact O-N 3.23Å
342	M	96.4	Very high	94.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-73.4	-39.7	174	-74.2	179.8	74.4	0	0	112.5	F263 L277 I279 L318 I331 V333 I338 A339 E340 L345 I346	F263-M342 HydrophobicContact CB-CE 3.97Å; F263-M342 HydrophobicContact CB-CG 4.39Å; F263-M342 HydrophobicContact CB-SD 3.74Å; F263-M342 HydrophobicContact CD1-CG 3.44Å; F263-M342 VanDerWaalsContact CD1-CG 3.44Å; F263-M342 HydrophobicContact CD1-SD 3.76Å; F263-M342 HydrophobicContact CD2-CE 4.22Å; F263-M342 HydrophobicContact CD2-CG 3.86Å; F263-M342 HydrophobicContact CD2-SD 4.25Å; F263-M342 HydrophobicContact CE1-CG 3.51Å; F263-M342 HydrophobicContact CE1-SD 4.44Å; F263-M342 HydrophobicContact CE2-CG 3.93Å; F263-M342 HydrophobicContact CG-CE 4.06Å; F263-M342 HydrophobicContact CG-CG 3.62Å; F263-M342 HydrophobicContact CG-SD 3.64Å; F263-M342 HydrophobicContact CZ-CG 3.76Å; L277-M342 HydrophobicContact CD1-CE 4.39Å; L277-M342 HydrophobicContact CD2-CE 4.18Å; I279-M342 HydrophobicContact CD1-CE 4.04Å; L318-M342 HydrophobicContact CD2-CB 3.96Å; I331-M342 HydrophobicContact CG2-CE 4.47Å; V333-M342 HydrophobicContact CG1-SD 3.76Å; I338-M342 HydrophobicContact CG2-SD 4.17Å; I338-M342 WeakPolarHBondContact O-CB 3.44Å; I338-M342 VanDerWaalsContact O-CG 3.32Å; I338-M342 WeakPolarHBondContact O-CG 3.3Å; I338-M342 PolarHBondContact O-N 3.36Å; A339-M342 PolarHBondContact O-N 2.87Å; E340-M342 VanDerWaalsContact C-N 3.31Å; E340-M342 PolarHBondContact O-N 3.01Å; M342-L345 PolarHBondContact O-N 3.47Å; M342-I346 VanDerWaalsContact O-CG1 3.31Å; M342-I346 WeakPolarHBondContact O-CG1 3.29Å; M342-I346 PolarHBondContact O-N 2.94Å; M342-I346 VanDerWaalsContact O-N 3.12Å
343	M	95.5	Very high	93.9	Very high	18 Å²	18	21.9 Å²	21.9	9%	0.089	13%	0.128	C	C	.	.	H	α-helix	trans	-61.1	-48.4	177.7	-73.4	-167.9	-67.3	0	0	111.3	I306 C308 L318 A339 E340 L345 I346 D347 I361	I306-M343 HydrophobicContact CG2-CB 4.46Å; I306-M343 HydrophobicContact CG2-CG 3.72Å; I306-M343 HydrophobicContact CG2-SD 4.09Å; C308-M343 HydrophobicContact CB-CE 3.62Å; C308-M343 HydrophobicContact CB-SD 3.62Å; L318-M343 HydrophobicContact CD1-CG 3.95Å; L318-M343 HydrophobicContact CD1-SD 4.38Å; L318-M343 HydrophobicContact CD2-CG 3.88Å; L318-M343 HydrophobicContact CG-CG 3.96Å; A339-M343 VanDerWaalsContact O-CG 3.3Å; A339-M343 WeakPolarHBondContact O-CG 3.48Å; A339-M343 PolarHBondContact O-N 3.5Å; E340-M343 HydrophobicContact CB-CE 4.49Å; E340-M343 HydrophobicContact CG-CE 4.07Å; E340-M343 PolarHBondContact O-N 3.32Å; M343-L345 VanDerWaalsContact C-N 3.31Å; M343-L345 PolarHBondContact O-N 3.41Å; M343-I346 PolarHBondContact O-N 3.19Å; M343-D347 WeakPolarHBondContact O-CB 3.43Å; M343-D347 PolarHBondContact O-N 2.98Å; M343-I361 HydrophobicContact CB-CD1 3.89Å; M343-I361 HydrophobicContact CB-CG1 4.35Å; M343-I361 HydrophobicContact SD-CG2 4.24Å
344	D	96.3	Very high	93.6	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.016	15%	0.148	C	C	.	.	H	α-helix	trans	-60.5	-39.5	177.6	173.8	71.8	0	0	0	112.5	H104 R132 Y133 E340 G348	H104-D344 IonicContact CD2-OD1 3.63Å; H104-D344 PolarHBondContact CD2-OD1 3.4Å; R132-D344 IonicContact CZ-OD2 3.96Å; R132-D344 IonicContact NH1-OD2 3.16Å; R132-D344 PolarHBondContact NH1-OD2 3.04Å; Y133-D344 WeakPolarHBondContact CE1-O 3.44Å; Y133-D344 PolarHBondContact OH-OD1 2.96Å; Y133-D344 PolarHBondContact OH-OD2 3.45Å; E340-D344 PolarHBondContact O-N 3.02Å; D344-G348 PolarHBondContact O-N 3.38Å
345	L	97.3	Very high	93.4	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-62.5	-49.1	180	-173.4	61.5	0	0	0	111.5	R132 Y133 E261 F263 I279 N341 M342 M343 Y349	R132-L345 HydrophobicContact CG-CD1 3.88Å; Y133-L345 HydrophobicContact CD1-CD1 4.32Å; E261-L345 HydrophobicContact CB-CD2 3.78Å; E261-L345 HydrophobicContact CG-CD2 4.11Å; F263-L345 HydrophobicContact CE2-CD2 3.78Å; F263-L345 HydrophobicContact CZ-CD2 4.22Å; I279-L345 HydrophobicContact CB-CD2 3.63Å; I279-L345 HydrophobicContact CB-CG 4.43Å; I279-L345 HydrophobicContact CD1-CD2 4.13Å; I279-L345 HydrophobicContact CG1-CD2 4.44Å; I279-L345 HydrophobicContact CG2-CD2 3.57Å; I279-L345 HydrophobicContact CG2-CG 3.81Å; N341-L345 PolarHBondContact O-N 3.23Å; M342-L345 PolarHBondContact O-N 3.47Å; M343-L345 VanDerWaalsContact C-N 3.31Å; M343-L345 PolarHBondContact O-N 3.41Å; L345-Y349 HydrophobicContact CD1-CD2 4.09Å; L345-Y349 HydrophobicContact CD1-CE2 3.64Å; L345-Y349 HydrophobicContact CG-CD2 4.16Å; L345-Y349 HydrophobicContact CG-CE2 4.03Å; L345-Y349 WeakPolarHBondContact O-CD2 3.45Å; L345-Y349 PolarHBondContact O-N 3.43Å; L345-Y349 VanDerWaalsContact O-N 3.09Å
346	I	96.9	Very high	93.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-67.9	-44	-178.7	-60.7	167.6	0	0	0	109.8	I279 I284 F300 I303 I306 I320 M342 M343 G348 Y349 C350	I279-I346 HydrophobicContact CD1-CD1 3.98Å; I279-I346 HydrophobicContact CD1-CG1 3.85Å; I279-I346 HydrophobicContact CG2-CG1 4.35Å; I284-I346 HydrophobicContact CD1-CD1 3.92Å; I284-I346 HydrophobicContact CD1-CG1 4.09Å; I284-I346 HydrophobicContact CD1-CG2 4.12Å; F300-I346 HydrophobicContact CD1-CG2 4.2Å; F300-I346 HydrophobicContact CE1-CG2 4.29Å; I303-I346 HydrophobicContact CD1-CG2 3.49Å; I303-I346 VanDerWaalsContact CD1-CG2 3.49Å; I306-I346 HydrophobicContact CD1-CB 3.88Å; I306-I346 HydrophobicContact CD1-CG2 3.56Å; I320-I346 HydrophobicContact CD1-CD1 3.73Å; M342-I346 VanDerWaalsContact O-CG1 3.31Å; M342-I346 WeakPolarHBondContact O-CG1 3.29Å; M342-I346 PolarHBondContact O-N 2.94Å; M342-I346 VanDerWaalsContact O-N 3.12Å; M343-I346 PolarHBondContact O-N 3.19Å; I346-G348 PolarHBondContact O-N 2.91Å; I346-Y349 PolarHBondContact O-N 3.23Å; I346-C350 PolarHBondContact O-N 3.48Å; I346-C350 PolarHBondContact O-SG 2.81Å
347	D	96.3	Very high	93.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.7	-43.2	177.9	-166.5	65.2	0	0	0	111.7	H104 M343 Y349 C350 R351 S359 V360 I361	H104-D347 IonicContact CD2-OD2 2.71Å; H104-D347 IonicContact CE1-OD2 3Å; H104-D347 IonicContact NE2-OD1 3.11Å; H104-D347 CovalentContact NE2-OD2 1.79Å; H104-D347 IonicContact NE2-OD2 3.79Å; H104-D347 PolarHBondContact NE2-OD2 2.7Å; M343-D347 WeakPolarHBondContact O-CB 3.43Å; M343-D347 PolarHBondContact O-N 2.98Å; D347-Y349 PolarHBondContact O-N 3.43Å; D347-C350 WeakPolarHBondContact O-CB 3.33Å; D347-C350 PolarHBondContact O-N 2.78Å; D347-C350 VanDerWaalsContact O-N 3.1Å; D347-R351 WeakPolarHBondContact O-CG 3.49Å; D347-R351 PolarHBondContact O-N 2.78Å; D347-R351 IonicContact OD2-CZ 2.87Å; D347-R351 IonicContact OD2-NH1 3.74Å; D347-R351 PolarHBondContact OD2-NH1 2.95Å; D347-S359 WeakPolarHBondContact OD1-CA 3.47Å; D347-S359 PolarHBondContact OD1-OG 3.45Å; D347-S359 WeakPolarHBondContact OD2-CB 3.44Å; D347-S359 PolarHBondContact OD2-OG 3.3Å; D347-V360 WeakPolarHBondContact OD1-CG2 3.43Å; D347-V360 PolarHBondContact OD1-N 3.43Å; D347-I361 HydrophobicContact CB-CD1 3.79Å; D347-I361 HydrophobicContact CB-CG1 3.9Å
348	G	95.4	Very high	93.1	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-64.4	-36.2	175.7	0	0	0	0	0	113.9	D344 I346 R351 L352	D344-G348 PolarHBondContact O-N 3.38Å; I346-G348 PolarHBondContact O-N 2.91Å; G348-R351 VanDerWaalsContact CA-CZ 3.42Å; G348-R351 VanDerWaalsContact CA-NH2 3.28Å; G348-L352 WeakPolarHBondContact O-CB 3.12Å; G348-L352 PolarHBondContact O-N 2.73Å
349	Y	96.4	Very high	93.1	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.016	17%	0.172	C	C	.	.	H	α-helix	trans	-66.9	-39.1	168.7	-82.2	-64.7	0	0	0	112.5	I134 I279 G281 F300 L345 I346 D347 L352 E353	I134-Y349 PolarHBondContact N-OH 3.32Å; I134-Y349 WeakPolarHBondContact O-CE1 3.43Å; I134-Y349 PolarHBondContact O-OH 3Å; I279-Y349 HydrophobicContact CG2-CD2 4.21Å; I279-Y349 HydrophobicContact CG2-CE2 4.3Å; G281-Y349 PolarHBondContact N-OH 3.1Å; F300-Y349 HydrophobicContact CD1-CG 4.42Å; F300-Y349 HydrophobicContact CD2-CD1 4.39Å; F300-Y349 HydrophobicContact CD2-CG 4.13Å; F300-Y349 HydrophobicContact CE1-CD2 4.01Å; F300-Y349 AromaticContact CE1-CG 3.97Å; F300-Y349 HydrophobicContact CE1-CG 3.97Å; F300-Y349 AromaticContact CE2-CD1 3.91Å; F300-Y349 HydrophobicContact CE2-CD1 3.91Å; F300-Y349 HydrophobicContact CE2-CD2 4.08Å; F300-Y349 AromaticContact CE2-CG 3.61Å; F300-Y349 HydrophobicContact CE2-CG 3.61Å; F300-Y349 HydrophobicContact CG-CG 4.5Å; F300-Y349 HydrophobicContact CZ-CD1 4.25Å; F300-Y349 AromaticContact CZ-CD2 3.56Å; F300-Y349 HydrophobicContact CZ-CD2 3.56Å; F300-Y349 HydrophobicContact CZ-CE2 4.35Å; F300-Y349 AromaticContact CZ-CG 3.53Å; F300-Y349 HydrophobicContact CZ-CG 3.53Å; L345-Y349 HydrophobicContact CD1-CD2 4.09Å; L345-Y349 HydrophobicContact CD1-CE2 3.64Å; L345-Y349 HydrophobicContact CG-CD2 4.16Å; L345-Y349 HydrophobicContact CG-CE2 4.03Å; L345-Y349 WeakPolarHBondContact O-CD2 3.45Å; L345-Y349 PolarHBondContact O-N 3.43Å; L345-Y349 VanDerWaalsContact O-N 3.09Å; I346-Y349 PolarHBondContact O-N 3.23Å; D347-Y349 PolarHBondContact O-N 3.43Å; Y349-L352 HydrophobicContact CD1-CD2 4.47Å; Y349-L352 PolarHBondContact O-N 2.63Å; Y349-E353 WeakPolarHBondContact O-CB 3.33Å; Y349-E353 WeakPolarHBondContact O-CG 3.48Å; Y349-E353 PolarHBondContact O-N 2.72Å
350	C	95.2	Very high	93.1	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.02	18%	0.181	C	C	.	.	H	α-helix	trans	-62.5	-44	175.2	-63.4	0	0	0	0	112	F300 I346 D347 N354 V360	F300-C350 PolarHBondContact O-SG 2.79Å; I346-C350 PolarHBondContact O-N 3.48Å; I346-C350 PolarHBondContact O-SG 2.81Å; D347-C350 WeakPolarHBondContact O-CB 3.33Å; D347-C350 PolarHBondContact O-N 2.78Å; D347-C350 VanDerWaalsContact O-N 3.1Å; C350-N354 WeakPolarHBondContact O-CB 3.26Å; C350-N354 PolarHBondContact O-N 3.32Å; C350-N354 VanDerWaalsContact O-N 3.14Å; C350-N354 PolarHBondContact O-ND2 2.99Å; C350-V360 HydrophobicContact CB-CG2 4.15Å
351	R	93.8	Very high	93	Very high	24 Å²	24	33 Å²	33	9%	0.091	18%	0.178	C	C	.	.	H	α-helix	trans	-60.5	-46.7	173.4	-67.6	-179.4	-40.6	-115.4	4.6	111.5	H104 Y133 D347 G348 E353 D355 T356 D358	H104-R351 PolarHBondContact NE2-NH1 2.73Å; Y133-R351 PolarHBondContact OH-NH2 3.49Å; D347-R351 WeakPolarHBondContact O-CG 3.49Å; D347-R351 PolarHBondContact O-N 2.78Å; D347-R351 IonicContact OD2-CZ 2.87Å; D347-R351 IonicContact OD2-NH1 3.74Å; D347-R351 PolarHBondContact OD2-NH1 2.95Å; G348-R351 VanDerWaalsContact CA-CZ 3.42Å; G348-R351 VanDerWaalsContact CA-NH2 3.28Å; R351-E353 PolarHBondContact O-N 3.38Å; R351-D355 WeakPolarHBondContact O-CA 3.34Å; R351-D355 PolarHBondContact O-N 2.87Å; R351-T356 PolarHBondContact O-N 3.43Å; R351-D358 WeakPolarHBondContact CG-O 3.33Å
352	L	92.5	Very high	92.7	Very high	28 Å²	28	37.8 Å²	37.8	15%	0.147	20%	0.196	C	C	.	.	H	α-helix	trans	-68.6	-31.5	-177.3	-177.2	64.6	0	0	0	114	K86 Y133 P135 G348 Y349	K86-L352 HydrophobicContact CB-CD1 3.95Å; Y133-L352 WeakPolarHBondContact O-CD2 3.42Å; P135-L352 HydrophobicContact CG-CD2 4.17Å; G348-L352 WeakPolarHBondContact O-CB 3.12Å; G348-L352 PolarHBondContact O-N 2.73Å; Y349-L352 HydrophobicContact CD1-CD2 4.47Å; Y349-L352 PolarHBondContact O-N 2.63Å
353	E	89.5	Confident	91.8	Very high	52 Å²	52	42.7 Å²	42.7	24%	0.243	22%	0.215	C	C	.	.	H	α-helix	trans	-91.8	-26.5	-178.2	-72.1	-151.2	171.6	0	0	115.1	K301 Y349 R351	K301-E353 VanDerWaalsContact CE-OE2 3.31Å; K301-E353 WeakPolarHBondContact CE-OE2 3.49Å; K301-E353 HydrophobicContact CG-CB 4.35Å; K301-E353 IonicContact NZ-OE2 3.95Å; Y349-E353 WeakPolarHBondContact O-CB 3.33Å; Y349-E353 WeakPolarHBondContact O-CG 3.48Å; Y349-E353 PolarHBondContact O-N 2.72Å; R351-E353 PolarHBondContact O-N 3.38Å
354	N	88.7	Confident	90.1	Very high	84 Å²	84	46.3 Å²	46.3	45%	0.449	24%	0.239	S	C	.	.	H	α-helix	trans	-93.2	-3.7	173.1	-61.8	-62.5	0	0	0	112.8	C350 T356	C350-N354 WeakPolarHBondContact O-CB 3.26Å; C350-N354 PolarHBondContact O-N 3.32Å; C350-N354 VanDerWaalsContact O-N 3.14Å; C350-N354 PolarHBondContact O-ND2 2.99Å; N354-T356 HydrophobicContact CB-CG2 4.39Å; N354-T356 PolarHBondContact O-N 3.01Å
355	D	87.2	Confident	87.4	Confident	122 Å²	122	51.7 Å²	51.7	65%	0.652	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	31.5	-174.4	-157.7	16.5	0	0	0	115.3	K86 R351	K86-D355 PolarHBondContact NZ-O 3.28Å; K86-D355 IonicContact NZ-OD1 2.69Å; K86-D355 PolarHBondContact NZ-OD1 2.84Å; R351-D355 WeakPolarHBondContact O-CA 3.34Å; R351-D355 PolarHBondContact O-N 2.87Å
356	T	90	Very high	84.8	Confident	41 Å²	41	60.7 Å²	60.7	25%	0.252	31%	0.307	S	S	.	.			trans	-97.3	168.1	170.5	-170.4	0	0	0	0	111.7	K86 R351 N354 D358	K86-T356 PolarHBondContact NZ-O 3.15Å; R351-T356 PolarHBondContact O-N 3.43Å; N354-T356 HydrophobicContact CB-CG2 4.39Å; N354-T356 PolarHBondContact O-N 3.01Å; T356-D358 HydrophobicContact CG2-CB 3.89Å; T356-D358 PolarHBondContact OG1-N 3.47Å; T356-D358 PolarHBondContact OG1-OD2 3.39Å
357	D	85.8	Confident	81.9	Confident	74 Å²	74	66 Å²	66	40%	0.396	34%	0.335	S	S	.	.			trans	-96.5	-10.6	161.8	-77.9	2.3	0	0	0	111.4	R70 K86	R70-D357 IonicContact CZ-OD2 2.71Å; R70-D357 IonicContact NH1-OD2 3.13Å; R70-D357 IonicContact NH2-OD1 2.66Å; R70-D357 IonicContact NH2-OD2 2.83Å; R70-D357 PolarHBondContact NH2-OD2 2.95Å; K86-D357 WeakPolarHBondContact CE-OD1 3.41Å; K86-D357 IonicContact NZ-OD1 3.57Å; K86-D357 PolarHBondContact NZ-OD1 2.61Å
358	D	88	Confident	78.9	Confident	120 Å²	120	69.9 Å²	69.9	64%	0.642	37%	0.368	S	S	*	.			trans	-63.1	134.8	-178.1	-57.2	-55	0	0	0	113.2	R351 T356	R351-D358 WeakPolarHBondContact CG-O 3.33Å; T356-D358 HydrophobicContact CG2-CB 3.89Å; T356-D358 PolarHBondContact OG1-N 3.47Å; T356-D358 PolarHBondContact OG1-OD2 3.39Å
359	S	92.1	Very high	75.9	Confident	40 Å²	40	79.4 Å²	79.4	28%	0.28	41%	0.409	S	S	.	.			trans	-88.7	136.4	173.3	-171.9	0	0	0	0	112.4	H104 D347 I361	H104-S359 WeakPolarHBondContact CE1-CB 3.47Å; H104-S359 PolarHBondContact CE1-OG 3.31Å; H104-S359 VanDerWaalsContact CE1-OG 3.25Å; H104-S359 PolarHBondContact NE2-OG 3.27Å; D347-S359 WeakPolarHBondContact OD1-CA 3.47Å; D347-S359 PolarHBondContact OD1-OG 3.45Å; D347-S359 WeakPolarHBondContact OD2-CB 3.44Å; D347-S359 PolarHBondContact OD2-OG 3.3Å; S359-I361 VanDerWaalsContact C-N 3.32Å; S359-I361 WeakPolarHBondContact OG-CB 3.37Å; S359-I361 PolarHBondContact OG-N 3.04Å
360	V	93.2	Very high	72.8	Confident	33 Å²	33	83.9 Å²	83.9	20%	0.2	44%	0.441	C	S	.	.			trans	-86.2	-0	168.7	-64.9	0	0	0	0	112.7	I303 K305 I306 D347 C350 Y362	I303-V360 HydrophobicContact CG2-CG2 4.29Å; K305-V360 CarbonylContact C-O 3.56Å; K305-V360 WeakPolarHBondContact CA-O 3.49Å; I306-V360 HydrophobicContact CD1-CG2 3.69Å; I306-V360 HydrophobicContact CG1-CG2 3.88Å; I306-V360 PolarHBondContact N-O 3.03Å; D347-V360 WeakPolarHBondContact OD1-CG2 3.43Å; D347-V360 PolarHBondContact OD1-N 3.43Å; C350-V360 HydrophobicContact CB-CG2 4.15Å; V360-Y362 PolarHBondContact O-N 2.98Å
361	I	91.9	Very high	69.6	Low	31 Å²	31	88 Å²	88	16%	0.159	48%	0.475	C	S	.	.	B	Isolated β-bridge	trans	-76	111.5	176	-59.2	172.6	0	0	0	110.2	I306 M343 D347 S359 R363	I306-I361 HydrophobicContact CB-CG1 4.49Å; M343-I361 HydrophobicContact CB-CD1 3.89Å; M343-I361 HydrophobicContact CB-CG1 4.35Å; M343-I361 HydrophobicContact SD-CG2 4.24Å; D347-I361 HydrophobicContact CB-CD1 3.79Å; D347-I361 HydrophobicContact CB-CG1 3.9Å; S359-I361 VanDerWaalsContact C-N 3.32Å; S359-I361 WeakPolarHBondContact OG-CB 3.37Å; S359-I361 PolarHBondContact OG-N 3.04Å; I361-R363 PolarHBondContact O-N 3.38Å
362	Y	87.9	Confident	66.7	Low	115 Å²	115	95.6 Å²	95.6	45%	0.451	51%	0.512	S	S	.	.			trans	-79.2	102.4	176.5	179.9	-95.9	0	0	0	111.6	K305 I306 Q307 V360 P364	K305-Y362 HydrophobicContact CD-CD2 4.31Å; K305-Y362 HydrophobicContact CD-CG 4.11Å; K305-Y362 VanDerWaalsContact CE-CG 3.41Å; K305-Y362 VanDerWaalsContact NZ-CD2 3.29Å; I306-Y362 PolarHBondContact O-N 3.2Å; Q307-Y362 HydrophobicContact CG-CD1 4.36Å; V360-Y362 PolarHBondContact O-N 2.98Å; Y362-P364 HydrophobicContact CE1-CB 4.28Å
363	R	77.5	Confident	63.7	Low	103 Å²	103	100.9 Å²	100.9	39%	0.389	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-85.7	122.6	166.6	-56	-175.8	-172.5	-167.5	5.1	108.8	H104 E111 I361 N365	H104-R363 PolarHBondContact ND1-NH2 3.4Å; E111-R363 IonicContact OE1-NH1 2.93Å; E111-R363 IonicContact OE2-NH1 2.66Å; I361-R363 PolarHBondContact O-N 3.38Å; R363-N365 PolarHBondContact O-N 2.94Å
364	P	59.9	Low	61	Low	94 Å²	94	103.7 Å²	103.7	61%	0.61	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-67.9	121.4	175.5	27.3	-32.8	0	0	0	109.9	Y362 K366	Y362-P364 HydrophobicContact CE1-CB 4.28Å; P364-K366 PolarHBondContact O-N 3.48Å
365	N	40.6	Very low	58	Low	116 Å²	116	107.8 Å²	107.8	62%	0.62	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-63.5	121.8	-172.1	-169.5	-5.9	0	0	0	111.7	R363 D367	R363-N365 PolarHBondContact O-N 2.94Å; N365-D367 PolarHBondContact OD1-N 3.31Å; N365-D367 PolarHBondContact OD1-OD2 2.93Å
366	K	41.8	Very low	55.3	Low	190 Å²	190	107.3 Å²	107.3	83%	0.826	60%	0.595	S	S	*	*	S	Bend	trans	-82.1	-19.6	178.5	-88.2	-174.7	174.3	177.7	0	113.1	P364 A368	P364-K366 PolarHBondContact O-N 3.48Å; K366-A368 VanDerWaalsContact C-N 3.3Å; K366-A368 PolarHBondContact O-N 3.12Å
367	D	37.1	Very low	52.4	Low	110 Å²	110	112.2 Å²	112.2	59%	0.588	62%	0.619	S	S	*	*			trans	-88.3	2.4	-166.6	-52.7	-59.8	0	0	0	113.5	N365 K369 S370	N365-D367 PolarHBondContact OD1-N 3.31Å; N365-D367 PolarHBondContact OD1-OD2 2.93Å; D367-K369 PolarHBondContact O-N 3.22Å; D367-S370 PolarHBondContact O-N 3.25Å; D367-S370 PolarHBondContact O-OG 3.13Å
368	A	32.7	Very low	49.7	Very low	82 Å²	82	116.2 Å²	116.2	68%	0.678	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	28.3	175.2	0	0	0	0	0	114.8	K366	K366-A368 VanDerWaalsContact C-N 3.3Å; K366-A368 PolarHBondContact O-N 3.12Å
369	K	32.3	Very low	47.1	Very low	201 Å²	201	115.1 Å²	115.1	87%	0.874	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133	-9.4	176.7	-77.4	-166.5	174	-173.9	0	115.1	D367	D367-K369 PolarHBondContact O-N 3.22Å
370	S	30.5	Very low	43.9	Very low	99 Å²	99	119 Å²	119	69%	0.692	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-30.2	173.8	48.6	0	0	0	0	112.8	D367 Q372	D367-S370 PolarHBondContact O-N 3.25Å; D367-S370 PolarHBondContact O-OG 3.13Å; S370-Q372 VanDerWaalsContact C-N 3.25Å; S370-Q372 PolarHBondContact O-N 3.14Å
371	A	29.2	Very low	40.6	Very low	89 Å²	89	122 Å²	122	74%	0.736	68%	0.683	S	S	*	*			trans	-76.7	58.4	-176.3	0	0	0	0	0	114.1
372	Q	32	Very low	37.4	Very low	184 Å²	184	125.9 Å²	125.9	86%	0.86	71%	0.708	S	S	*	*			trans	-140.1	43.3	172.8	-150.1	-178.1	13.6	0	0	114.9	S370	S370-Q372 VanDerWaalsContact C-N 3.25Å; S370-Q372 PolarHBondContact O-N 3.14Å
373	V	30.6	Very low	34.3	Very low	138 Å²	138	127 Å²	127	84%	0.836	72%	0.722	S	S	*	*			trans	-133.6	110	151.9	-176.1	0	0	0	0	108.4
374	S	31.5	Very low	31.8	Very low	112 Å²	112	128 Å²	128	78%	0.783	74%	0.74	S	S	*	*			trans	-150.3	135.9	172	-50.6	0	0	0	0	109.3
375	L	26.2	Very low	30.1	Very low	170 Å²	170	130.2 Å²	130.2	89%	0.89	75%	0.747	S	S	*	*			trans	-134.4	157.1	174.5	-82.2	171.5	0	0	0	108.1
376	P	30.6	Very low	29.4	Very low	112 Å²	112	129.4 Å²	129.4	73%	0.727	75%	0.75	S	S	*	*				-102.2	175.5	-121.1	36.9	-39.8	0	0	0	117.1
377	D	29.5	Very low	28.5	Very low	143 Å²	143	125.4 Å²	125.4	77%	0.765	75%	0.746	S	S	*	*			trans	-57.8	177.4	177.2	-39.5	-98.2	0	0	0	113.7
378	I	28.7	Very low	28	Very low	158 Å²	158	130.2 Å²	130.2	81%	0.81	76%	0.756	S	S	*	*			cis	-168.5	-167.3	37.6	1.8	174.1	0	0	0	108
379	P	32.9	Very low	27.7	Very low	98 Å²	98	134.3 Å²	134.3	64%	0.636	76%	0.761	S	S	*	*			cis	-139.8	174.8	-15.6	32.6	-10.4	0	0	0	117.7
380	T	25.1	Very low	27.4	Very low	120 Å²	120	129.9 Å²	129.9	74%	0.736	76%	0.755	S	S	*	*			trans	59.3	114	148.2	44.1	0	0	0	0	121
381	S	23.8	Very low	27.3	Very low	98 Å²	98	134 Å²	134	69%	0.685	77%	0.766	S	S	*	*				83.3	152.1	89	89	0	0	0	0	114.5
382	T	25.4	Very low	27.4	Very low	111 Å²	111	133.4 Å²	133.4	68%	0.681	77%	0.768	S	S	*	*			cis	-160.1	144.8	26	-23	0	0	0	0	112.4
383	D	23.4	Very low	27.2	Very low	138 Å²	138	129.5 Å²	129.5	74%	0.738	76%	0.761	S	S	*	*			trans	55	129.6	143.8	-75.4	-4	0	0	0	126.7
384	T	23.5	Very low	27.3	Very low	125 Å²	125	130.9 Å²	130.9	77%	0.767	76%	0.764	S	S	*	*			trans	94.6	143.6	136.3	57.8	0	0	0	0	125
385	N	25.1	Very low	27.2	Very low	141 Å²	141	132.5 Å²	132.5	75%	0.754	76%	0.762	S	S	*	*			trans	76.8	79	153.4	-69.7	-7	0	0	0	123.1
386	S	24.9	Very low	27.3	Very low	98 Å²	98	134.5 Å²	134.5	69%	0.685	76%	0.759	S	S	*	*				54.1	104.6	114.3	68	0	0	0	0	122.2
387	S	24.5	Very low	27.2	Very low	106 Å²	106	135.3 Å²	135.3	74%	0.741	77%	0.766	S	S	*	*				100.7	140.3	117.6	83.5	0	0	0	0	122.1
388	R	26.2	Very low	27.3	Very low	211 Å²	211	136 Å²	136	80%	0.796	77%	0.765	S	S	*	*			trans	88.2	95.4	154.1	-68.6	-176.7	171.8	152.6	1.8	121.5
389	H	26	Very low	27.2	Very low	168 Å²	168	134.1 Å²	134.1	78%	0.778	76%	0.755	S	S	*	*				83.7	121.7	125.6	-64.7	-56.1	0	0	0	122.6
390	S	26.7	Very low	26.9	Very low	108 Å²	108	136.9 Å²	136.9	76%	0.755	76%	0.764	S	S	*	*				75.8	98.4	123.8	-175.5	0	0	0	0	120.2
391	M	27.1	Very low	27.2	Very low	186 Å²	186	138.5 Å²	138.5	92%	0.916	77%	0.768	S	S	*	*				-151.6	162.2	97.4	-76.1	-140.3	-68.5	0	0	106.4
392	G	32.4	Very low	27.4	Very low	76 Å²	76	142.2 Å²	142.2	78%	0.784	78%	0.775	S	S	*	*			cis	112.2	107.5	35	0	0	0	0	0	106.4
393	S	26.3	Very low	27.7	Very low	103 Å²	103	145.1 Å²	145.1	72%	0.72	77%	0.773	S	S	*	*			trans	-151.5	125.4	-171.5	176.7	0	0	0	0	110.1
394	D	34.3	Very low	28	Very low	166 Å²	166	144.2 Å²	144.2	89%	0.888	78%	0.775	S	S	*	*			trans	-83.8	118.8	-176.3	-56.1	-76.8	0	0	0	111.3
395	I	29.5	Very low	28.3	Very low	147 Å²	147	148 Å²	148	75%	0.754	78%	0.781	S	S	*	*			trans	-136.1	82.9	170.1	-51.9	-179.2	0	0	0	109.2
396	Y	28	Very low	28.7	Very low	211 Å²	211	145.1 Å²	145.1	83%	0.827	77%	0.772	S	S	*	*			trans	-154.4	92.5	157.8	-117.2	-79.3	0	0	0	110.4	E398	Y396-E398 HydrophobicContact CD1-CG 4.02Å; Y396-E398 PolarHBondContact O-N 2.81Å
397	C	28.5	Very low	29.4	Very low	130 Å²	130	145.3 Å²	145.3	88%	0.878	78%	0.779	S	S	*	*			trans	-85.1	99.4	157.9	-65	0	0	0	0	107.3
398	E	30.5	Very low	30.2	Very low	158 Å²	158	144.9 Å²	144.9	74%	0.738	77%	0.772	S	S	*	*			trans	-63.7	143.5	171.8	-65.5	-165.9	142.7	0	0	110.4	Y396 L400	Y396-E398 HydrophobicContact CD1-CG 4.02Å; Y396-E398 PolarHBondContact O-N 2.81Å; E398-L400 PolarHBondContact O-N 2.92Å
399	I	28.2	Very low	31.5	Very low	117 Å²	117	144 Å²	144	60%	0.6	77%	0.774	S	S	*	*			trans	-81.5	115.5	171.7	-57.1	162.1	0	0	0	105.5	K58 D401	K58-I399 HydrophobicContact CD-CD1 3.44Å; K58-I399 VanDerWaalsContact CD-CD1 3.44Å; K58-I399 VanDerWaalsContact NZ-CD1 3.3Å; I399-D401 PolarHBondContact O-N 2.96Å
400	L	26.6	Very low	33.5	Very low	157 Å²	157	140.8 Å²	140.8	82%	0.822	76%	0.755	S	S	*	*			trans	-64.2	108.3	173	-68	169.4	0	0	0	108.8	E398 E402	E398-L400 PolarHBondContact O-N 2.92Å; L400-E402 PolarHBondContact O-N 3.45Å; L400-E402 VanDerWaalsContact O-N 3.14Å
401	D	30.3	Very low	36.1	Very low	153 Å²	153	137.5 Å²	137.5	82%	0.818	74%	0.739	S	S	*	*			trans	-60.6	111.7	156.5	-84.4	-33.4	0	0	0	106.9	I399 R403	I399-D401 PolarHBondContact O-N 2.96Å; D401-R403 PolarHBondContact O-N 3.43Å
402	E	28.3	Very low	38.9	Very low	177 Å²	177	129.3 Å²	129.3	83%	0.827	70%	0.698	S	S	*	*			trans	-62.8	100.9	173.9	-77.3	-154.6	118.4	0	0	109.3	L400	L400-E402 PolarHBondContact O-N 3.45Å; L400-E402 VanDerWaalsContact O-N 3.14Å
403	R	31.8	Very low	41.5	Very low	171 Å²	171	129.7 Å²	129.7	65%	0.645	68%	0.682	S	S	*	*			trans	-52.8	128.6	169.7	-62	-177.3	-173.6	174.4	6.2	107.7	D401 K405 E485	D401-R403 PolarHBondContact O-N 3.43Å; R403-K405 PolarHBondContact O-N 2.87Å; R403-K405 VanDerWaalsContact O-N 3.12Å; R403-E485 IonicContact NH1-OE2 2.73Å; R403-E485 PolarHBondContact NH1-OE2 3.3Å
404	P	29.7	Very low	44.4	Very low	120 Å²	120	127.4 Å²	127.4	78%	0.779	66%	0.658	S	S	*	*			trans	-57.3	124.9	171.3	24.3	-32.9	0	0	0	108.2	S406	P404-S406 PolarHBondContact O-N 3.16Å
405	K	30	Very low	47	Very low	204 Å²	204	123.3 Å²	123.3	89%	0.887	64%	0.643	S	S	*	*			trans	-64.7	80.6	-175.4	-72.5	175.7	-178.7	164.6	0	110.8	R403 A407	R403-K405 PolarHBondContact O-N 2.87Å; R403-K405 VanDerWaalsContact O-N 3.12Å; K405-A407 PolarHBondContact O-N 3.35Å
406	S	33.7	Very low	49.9	Very low	81 Å²	81	118.6 Å²	118.6	57%	0.566	62%	0.619	S	S	*	*			trans	-68.5	127.8	-179.5	87.7	0	0	0	0	109.3	P404 V408	P404-S406 PolarHBondContact O-N 3.16Å; S406-V408 WeakPolarHBondContact O-CG2 3.5Å; S406-V408 PolarHBondContact O-N 3.24Å
407	A	38.3	Very low	53	Low	102 Å²	102	109.1 Å²	109.1	84%	0.843	58%	0.582	S	S	*	*			trans	-61.4	108.3	-178.5	0	0	0	0	0	110.6	K405 K409	K405-A407 PolarHBondContact O-N 3.35Å; A407-K409 PolarHBondContact O-N 3.5Å
408	V	41.4	Very low	56	Low	97 Å²	97	107 Å²	107	59%	0.588	56%	0.562	S	S	*	*			trans	-69.6	124.4	-168.3	-179.6	0	0	0	0	111.1	S406	S406-V408 WeakPolarHBondContact O-CG2 3.5Å; S406-V408 PolarHBondContact O-N 3.24Å
409	K	53.6	Low	59	Low	193 Å²	193	102.4 Å²	102.4	84%	0.839	54%	0.542	S	S	*	.	S	Bend	trans	-122.4	-2.1	169.1	-91.2	-172.6	174.3	179.9	0	114.3	A407	A407-K409 PolarHBondContact O-N 3.5Å
410	Y	67.7	Low	62	Low	99 Å²	99	99 Å²	99	39%	0.388	54%	0.535	S	S	.	.	S	Bend	trans	-137.2	1.9	-172.4	-68.1	-74.9	0	0	0	114.1	K470 G482 I483	Y410-K470 HydrophobicContact CD2-CD 4.32Å; Y410-K470 HydrophobicContact CD2-CG 4.16Å; Y410-K470 HydrophobicContact CE2-CD 4.42Å; Y410-K470 HydrophobicContact CE2-CG 3.92Å; Y410-G482 CarbonylContact O-C 3.52Å; Y410-G482 WeakPolarHBondContact O-CA 3.37Å; Y410-I483 PolarHBondContact O-N 3.35Å
411	G	81	Confident	65.1	Low	39 Å²	39	99.4 Å²	99.4	40%	0.402	53%	0.525	S	S	.	.	B	Isolated β-bridge	trans	-69.5	136.4	171	0	0	0	0	0	110	I483	G411-I483 CarbonylContact C-O 3.55Å; G411-I483 WeakPolarHBondContact CA-O 3.39Å
412	I	87	Confident	68	Low	14 Å²	14	96 Å²	96	7%	0.072	51%	0.507	C	S	.	.			trans	-118.1	140.1	173.9	-65.5	175	0	0	0	107.4	D416 I417 Y436 I481 I483 I484 V492	I412-D416 HydrophobicContact CG2-CB 4.39Å; I412-I417 HydrophobicContact CG2-CD1 4.1Å; I412-I417 HydrophobicContact CG2-CG1 4.02Å; I412-Y436 HydrophobicContact CD1-CD1 4.42Å; I412-Y436 HydrophobicContact CD1-CE1 3.99Å; I412-Y436 HydrophobicContact CD1-CE2 4.32Å; I412-Y436 HydrophobicContact CG1-CE2 4.37Å; I412-Y436 HydrophobicContact CG2-CD2 4.12Å; I412-Y436 HydrophobicContact CG2-CE2 3.69Å; I412-I481 HydrophobicContact CD1-CG2 4.14Å; I412-I483 PolarHBondContact N-O 3.2Å; I412-I484 HydrophobicContact CB-CG1 4.15Å; I412-I484 HydrophobicContact CG2-CG1 4.29Å; I412-I484 VanDerWaalsContact O-CG1 3.29Å; I412-I484 WeakPolarHBondContact O-CG1 3.3Å; I412-V492 HydrophobicContact CD1-CB 4.17Å; I412-V492 HydrophobicContact CD1-CG1 4.37Å; I412-V492 HydrophobicContact CD1-CG2 4.28Å
413	D	85.8	Confident	70.7	Confident	84 Å²	84	91.2 Å²	91.2	45%	0.449	49%	0.486	S	S	.	.			trans	-73.6	135.2	172.3	-174.1	-64.5	0	0	0	109.7	S415 D416	D413-S415 PolarHBondContact O-N 2.94Å; D413-S415 VanDerWaalsContact O-N 3.16Å; D413-S415 WeakPolarHBondContact OD1-CA 3.34Å; D413-S415 VanDerWaalsContact OD1-CB 3.22Å; D413-S415 WeakPolarHBondContact OD1-CB 3.49Å; D413-S415 PolarHBondContact OD1-N 2.92Å; D413-S415 PolarHBondContact OD1-OG 2.96Å; D413-D416 PolarHBondContact O-N 2.63Å; D413-D416 VanDerWaalsContact O-N 3.11Å
414	R	88.4	Confident	73	Confident	56 Å²	56	84.7 Å²	84.7	21%	0.211	47%	0.472	C	S	.	.	G	3₁₀ helix	trans	-58.3	-30.4	-178.7	178.1	170.3	-81.4	144.4	-6.5	113	D416 I417 I484 E486 D487 P488 W490	R414-D416 VanDerWaalsContact C-N 3.32Å; R414-D416 PolarHBondContact O-N 2.94Å; R414-I417 PolarHBondContact O-N 3.14Å; R414-I484 HydrophobicContact CB-CD1 4.49Å; R414-I484 HydrophobicContact CB-CG2 4.16Å; R414-E486 WeakPolarHBondContact CB-OE1 3.2Å; R414-E486 WeakPolarHBondContact CB-OE2 3.27Å; R414-E486 IonicContact CZ-OE2 3.86Å; R414-E486 IonicContact NE-OE2 3.62Å; R414-E486 IonicContact NH1-OE2 3.92Å; R414-E486 PolarHBondContact NH1-OE2 2.86Å; R414-E486 PolarHBondContact NH2-O 3.14Å; R414-D487 PolarHBondContact NH1-O 3.33Å; R414-D487 VanDerWaalsContact NH2-C 3.26Å; R414-D487 PolarHBondContact NH2-O 2.71Å; R414-D487 VanDerWaalsContact NH2-O 3.12Å; R414-P488 PolarHBondContact NH2-O 3.42Å; R414-W490 HydrophobicContact CG-CH2 4.24Å; R414-W490 HydrophobicContact CG-CZ3 4.32Å
415	S	87.8	Confident	75.2	Confident	80 Å²	80	85.7 Å²	85.7	56%	0.559	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-73.5	-18.5	-179.8	73.7	0	0	0	0	114.3	D413 I417 K437	D413-S415 PolarHBondContact O-N 2.94Å; D413-S415 VanDerWaalsContact O-N 3.16Å; D413-S415 WeakPolarHBondContact OD1-CA 3.34Å; D413-S415 VanDerWaalsContact OD1-CB 3.22Å; D413-S415 WeakPolarHBondContact OD1-CB 3.49Å; D413-S415 PolarHBondContact OD1-N 2.92Å; D413-S415 PolarHBondContact OD1-OG 2.96Å; S415-I417 VanDerWaalsContact C-N 3.32Å; S415-K437 PolarHBondContact O-NZ 2.86Å
416	D	90.6	Very high	76.9	Confident	47 Å²	47	77.6 Å²	77.6	25%	0.251	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-75.9	-19.6	173	-83.8	-27.2	0	0	0	112.7	I412 D413 R414 Y436 K437	I412-D416 HydrophobicContact CG2-CB 4.39Å; D413-D416 PolarHBondContact O-N 2.63Å; D413-D416 VanDerWaalsContact O-N 3.11Å; R414-D416 VanDerWaalsContact C-N 3.32Å; R414-D416 PolarHBondContact O-N 2.94Å; D416-Y436 HydrophobicContact CB-CD2 3.93Å; D416-Y436 HydrophobicContact CB-CE2 3.81Å; D416-K437 WeakPolarHBondContact CB-O 3.37Å; D416-K437 PolarHBondContact O-N 3.44Å
417	I	93.1	Very high	78.3	Confident	13 Å²	13	81.8 Å²	81.8	7%	0.067	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	119.6	176.1	-58.7	-57.4	0	0	0	110.9	I412 R414 S415 Y436 V446 V448 I484 W490 V492	I412-I417 HydrophobicContact CG2-CD1 4.1Å; I412-I417 HydrophobicContact CG2-CG1 4.02Å; R414-I417 PolarHBondContact O-N 3.14Å; S415-I417 VanDerWaalsContact C-N 3.32Å; I417-Y436 HydrophobicContact CD1-CD2 3.69Å; I417-Y436 HydrophobicContact CD1-CG 3.85Å; I417-V446 HydrophobicContact CD1-CG2 4.37Å; I417-V448 HydrophobicContact CG2-CG2 4.08Å; I417-I484 HydrophobicContact CB-CD1 4.36Å; I417-I484 HydrophobicContact CG1-CD1 3.68Å; I417-W490 HydrophobicContact CB-CZ3 4.23Å; I417-W490 HydrophobicContact CG2-CE3 4.3Å; I417-W490 HydrophobicContact CG2-CZ3 3.91Å; I417-V492 HydrophobicContact CD1-CG1 4.13Å; I417-V492 HydrophobicContact CD1-CG2 4.32Å; I417-V492 HydrophobicContact CG1-CG2 4.49Å
418	I	92.6	Very high	79.5	Confident	86 Å²	86	78.1 Å²	78.1	44%	0.441	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	112.1	160	-58.5	175.2	0	0	0	107.4	G434 V435	I418-G434 CarbonylContact O-C 3.55Å; I418-G434 WeakPolarHBondContact O-CA 3.33Å; I418-V435 HydrophobicContact CB-CB 4.46Å; I418-V435 PolarHBondContact N-O 3.37Å; I418-V435 PolarHBondContact O-N 2.82Å
419	L	92.3	Very high	81.2	Confident	61 Å²	61	73.7 Å²	73.7	32%	0.319	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	141.2	173.8	-157.4	72.3	0	0	0	110.6	Y432 V448 W490	L419-Y432 HydrophobicContact CD1-CD1 4.39Å; L419-Y432 HydrophobicContact CD1-CD2 4.21Å; L419-Y432 HydrophobicContact CD1-CG 3.85Å; L419-Y432 HydrophobicContact CD2-CD1 3.89Å; L419-Y432 HydrophobicContact CD2-CD2 4.24Å; L419-Y432 HydrophobicContact CD2-CE1 4Å; L419-Y432 HydrophobicContact CD2-CE2 4.35Å; L419-Y432 HydrophobicContact CD2-CG 4.02Å; L419-Y432 HydrophobicContact CG-CD1 3.91Å; L419-Y432 HydrophobicContact CG-CD2 4.47Å; L419-Y432 HydrophobicContact CG-CG 3.89Å; L419-V448 HydrophobicContact CD1-CB 3.73Å; L419-V448 HydrophobicContact CD1-CG1 3.8Å; L419-V448 HydrophobicContact CD1-CG2 3.97Å; L419-W490 HydrophobicContact CD1-CH2 4.49Å; L419-W490 HydrophobicContact CD1-CZ3 4.29Å; L419-W490 HydrophobicContact CD2-CH2 4.32Å; L419-W490 HydrophobicContact CD2-CZ2 4.43Å
420	G	91.9	Very high	82.8	Confident	44 Å²	44	66.2 Å²	66.2	45%	0.454	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-132.4	-177.1	0	0	0	0	0	113.3	D433	G420-D433 WeakPolarHBondContact CA-O 3.45Å; G420-D433 WeakPolarHBondContact CA-OD1 3.4Å; G420-D433 PolarHBondContact N-O 3.08Å
421	R	91.9	Very high	83.9	Confident	166 Å²	166	63.1 Å²	63.1	63%	0.626	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	157.4	179	66.2	173.2	-178.4	-66.1	-14.2	111.5	L423 Y432 D433	R421-L423 PolarHBondContact O-N 3.09Å; R421-Y432 CarbonylContact O-C 3.58Å; R421-Y432 VanDerWaalsContact O-CA 3.22Å; R421-Y432 WeakPolarHBondContact O-CA 3.41Å; R421-D433 WeakPolarHBondContact CG-OD1 3.41Å; R421-D433 IonicContact CZ-OD2 3.71Å; R421-D433 PolarHBondContact N-OD1 3.17Å; R421-D433 IonicContact NE-OD2 3.47Å; R421-D433 IonicContact NH1-OD2 3.42Å; R421-D433 PolarHBondContact NH1-OD2 3.41Å; R421-D433 IonicContact NH2-OD2 3.97Å; R421-D433 PolarHBondContact NH2-OD2 2.68Å; R421-D433 VanDerWaalsContact NH2-OD2 3.08Å; R421-D433 PolarHBondContact O-N 3.3Å
422	I	90.4	Very high	84.4	Confident	83 Å²	83	63.4 Å²	63.4	43%	0.426	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	132	168.9	-61	167.7	0	0	0	109.4	E430 Y432	I422-E430 HydrophobicContact CD1-CG 4.12Å; I422-E430 HydrophobicContact CG1-CG 4.38Å; I422-E430 HydrophobicContact CG2-CB 4.49Å; I422-E430 HydrophobicContact CG2-CG 4.19Å; I422-Y432 HydrophobicContact CD1-CE1 4.26Å; I422-Y432 HydrophobicContact CG1-CD1 3.82Å; I422-Y432 HydrophobicContact CG1-CE1 3.42Å; I422-Y432 VanDerWaalsContact CG1-CE1 3.42Å; I422-Y432 HydrophobicContact CG1-CE2 4.48Å
423	L	86.5	Confident	84.8	Confident	76 Å²	76	63.9 Å²	63.9	40%	0.398	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-28.7	171.8	-63	174.5	0	0	0	112.1	R421 V431 D433 L495	R421-L423 PolarHBondContact O-N 3.09Å; L423-V431 HydrophobicContact CD1-CG1 4.38Å; L423-V431 PolarHBondContact N-O 3.31Å; L423-D433 HydrophobicContact CD1-CB 3.98Å; L423-D433 HydrophobicContact CD2-CB 4.09Å; L423-D433 HydrophobicContact CG-CB 4.13Å; L423-L495 HydrophobicContact CD1-CD1 3.49Å; L423-L495 VanDerWaalsContact CD1-CD1 3.49Å
424	G	80	Confident	85.2	Confident	33 Å²	33	60.2 Å²	60.2	34%	0.34	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	179.8	168.4	176.7	0	0	0	0	0	112.5	V431	G424-V431 PolarHBondContact N-O 3.03Å; G424-V431 PolarHBondContact O-N 3.26Å
425	E	75.3	Confident	85.5	Confident	141 Å²	141	59.4 Å²	59.4	66%	0.659	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	132	175	-176	170.3	-138.3	0	0	109.7	E430 K452	E425-E430 HydrophobicContact CB-CG 4.42Å; E425-E430 HydrophobicContact CG-CG 4.41Å; E425-K452 IonicContact OE1-NZ 2.99Å; E425-K452 PolarHBondContact OE1-NZ 2.8Å
426	G	66	Low	85.8	Confident	35 Å²	35	57.4 Å²	57.4	36%	0.361	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	178.1	177.8	0	0	0	0	0	112	F428 G429	G426-F428 PolarHBondContact O-N 3.29Å; G426-F428 VanDerWaalsContact O-N 3.15Å; G426-G429 WeakPolarHBondContact CA-O 3.44Å; G426-G429 PolarHBondContact N-O 3.38Å; G426-G429 PolarHBondContact O-N 3Å
427	F	63.5	Low	86	Confident	169 Å²	169	58.7 Å²	58.7	74%	0.741	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-29.6	-173.1	-176.6	-96.7	0	0	0	114.6
428	F	63.7	Low	85.6	Confident	25 Å²	25	62.4 Å²	62.4	11%	0.11	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-13.9	-178	-63	-75.8	0	0	0	114.1	G426 C451 K452 V458 K461 F462	G426-F428 PolarHBondContact O-N 3.29Å; G426-F428 VanDerWaalsContact O-N 3.15Å; F428-C451 WeakPolarHBondContact O-CA 3.41Å; F428-K452 PolarHBondContact O-N 3.04Å; F428-V458 HydrophobicContact CD1-CG1 3.77Å; F428-V458 HydrophobicContact CE1-CG1 4.23Å; F428-K461 HydrophobicContact CE1-CB 3.76Å; F428-K461 HydrophobicContact CZ-CB 3.89Å; F428-F462 HydrophobicContact CB-CD2 3.66Å; F428-F462 HydrophobicContact CB-CE2 4.05Å; F428-F462 HydrophobicContact CD1-CD2 4.49Å; F428-F462 HydrophobicContact CD2-CD2 4.48Å; F428-F462 AromaticContact CG-CD2 3.99Å; F428-F462 HydrophobicContact CG-CD2 3.99Å
429	G	76.2	Confident	85.2	Confident	3 Å²	3	63.5 Å²	63.5	3%	0.031	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	150.9	-165.8	-171	0	0	0	0	0	113.2	G426 T450	G426-G429 WeakPolarHBondContact CA-O 3.44Å; G426-G429 PolarHBondContact N-O 3.38Å; G426-G429 PolarHBondContact O-N 3Å; G429-T450 WeakPolarHBondContact CA-O 3.47Å
430	E	86.8	Confident	84.8	Confident	36 Å²	36	66 Å²	66	17%	0.168	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	153.4	-175	-80.9	143.9	170.8	0	0	112.6	I422 E425 Y432 K449 T450 K452	I422-E430 HydrophobicContact CD1-CG 4.12Å; I422-E430 HydrophobicContact CG1-CG 4.38Å; I422-E430 HydrophobicContact CG2-CB 4.49Å; I422-E430 HydrophobicContact CG2-CG 4.19Å; E425-E430 HydrophobicContact CB-CG 4.42Å; E425-E430 HydrophobicContact CG-CG 4.41Å; E430-Y432 HydrophobicContact CB-CD2 4.14Å; E430-Y432 HydrophobicContact CB-CE2 3.53Å; E430-Y432 PolarHBondContact OE2-OH 3.02Å; E430-K449 WeakPolarHBondContact O-CA 3.39Å; E430-T450 PolarHBondContact N-OG1 3.1Å; E430-T450 PolarHBondContact O-N 3.47Å; E430-T450 PolarHBondContact O-OG1 3.08Å; E430-K452 WeakPolarHBondContact OE1-CE 3.49Å; E430-K452 IonicContact OE1-NZ 2.8Å; E430-K452 PolarHBondContact OE1-NZ 3Å; E430-K452 WeakPolarHBondContact OE2-CE 3.49Å; E430-K452 IonicContact OE2-NZ 2.69Å; E430-K452 PolarHBondContact OE2-NZ 3.41Å
431	V	90.6	Very high	84.3	Confident	34 Å²	34	66.9 Å²	66.9	21%	0.206	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.4	166.4	-176.1	0	0	0	0	107.7	L423 G424 A447 V448 K449	L423-V431 HydrophobicContact CD1-CG1 4.38Å; L423-V431 PolarHBondContact N-O 3.31Å; G424-V431 PolarHBondContact N-O 3.03Å; G424-V431 PolarHBondContact O-N 3.26Å; V431-A447 HydrophobicContact CG1-CB 4.25Å; V431-V448 CarbonylContact C-O 3.6Å; V431-V448 WeakPolarHBondContact CA-O 3.22Å; V431-K449 HydrophobicContact CG2-CB 4.37Å; V431-K449 HydrophobicContact CG2-CG 4.06Å
432	Y	92.6	Very high	84.3	Confident	46 Å²	46	63 Å²	63	18%	0.18	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	158.1	176.8	-63.3	-105.3	0	0	0	111.1	L419 R421 I422 E430 A447 V448 T450	L419-Y432 HydrophobicContact CD1-CD1 4.39Å; L419-Y432 HydrophobicContact CD1-CD2 4.21Å; L419-Y432 HydrophobicContact CD1-CG 3.85Å; L419-Y432 HydrophobicContact CD2-CD1 3.89Å; L419-Y432 HydrophobicContact CD2-CD2 4.24Å; L419-Y432 HydrophobicContact CD2-CE1 4Å; L419-Y432 HydrophobicContact CD2-CE2 4.35Å; L419-Y432 HydrophobicContact CD2-CG 4.02Å; L419-Y432 HydrophobicContact CG-CD1 3.91Å; L419-Y432 HydrophobicContact CG-CD2 4.47Å; L419-Y432 HydrophobicContact CG-CG 3.89Å; R421-Y432 CarbonylContact O-C 3.58Å; R421-Y432 VanDerWaalsContact O-CA 3.22Å; R421-Y432 WeakPolarHBondContact O-CA 3.41Å; I422-Y432 HydrophobicContact CD1-CE1 4.26Å; I422-Y432 HydrophobicContact CG1-CD1 3.82Å; I422-Y432 HydrophobicContact CG1-CE1 3.42Å; I422-Y432 VanDerWaalsContact CG1-CE1 3.42Å; I422-Y432 HydrophobicContact CG1-CE2 4.48Å; E430-Y432 HydrophobicContact CB-CD2 4.14Å; E430-Y432 HydrophobicContact CB-CE2 3.53Å; E430-Y432 PolarHBondContact OE2-OH 3.02Å; Y432-A447 WeakPolarHBondContact O-CA 3.46Å; Y432-V448 PolarHBondContact N-O 2.86Å; Y432-V448 PolarHBondContact O-N 3.3Å; Y432-T450 HydrophobicContact CD2-CG2 3.84Å; Y432-T450 HydrophobicContact CE2-CG2 3.69Å
433	D	94	Very high	84.3	Confident	24 Å²	24	68 Å²	68	13%	0.128	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	162.6	153.6	65.8	6.6	0	0	0	110.5	G420 R421 L423 V446 L495	G420-D433 WeakPolarHBondContact CA-O 3.45Å; G420-D433 WeakPolarHBondContact CA-OD1 3.4Å; G420-D433 PolarHBondContact N-O 3.08Å; R421-D433 WeakPolarHBondContact CG-OD1 3.41Å; R421-D433 IonicContact CZ-OD2 3.71Å; R421-D433 PolarHBondContact N-OD1 3.17Å; R421-D433 IonicContact NE-OD2 3.47Å; R421-D433 IonicContact NH1-OD2 3.42Å; R421-D433 PolarHBondContact NH1-OD2 3.41Å; R421-D433 IonicContact NH2-OD2 3.97Å; R421-D433 PolarHBondContact NH2-OD2 2.68Å; R421-D433 VanDerWaalsContact NH2-OD2 3.08Å; R421-D433 PolarHBondContact O-N 3.3Å; L423-D433 HydrophobicContact CD1-CB 3.98Å; L423-D433 HydrophobicContact CD2-CB 4.09Å; L423-D433 HydrophobicContact CG-CB 4.13Å; D433-V446 CarbonylContact C-O 3.47Å; D433-L495 HydrophobicContact CB-CD2 3.8Å
434	G	94.4	Very high	84.6	Confident	6 Å²	6	65.7 Å²	65.7	6%	0.062	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	176.5	177.3	0	0	0	0	0	112.5	I418 N445 V446	I418-G434 CarbonylContact O-C 3.55Å; I418-G434 WeakPolarHBondContact O-CA 3.33Å; G434-N445 WeakPolarHBondContact O-CA 3.38Å; G434-V446 PolarHBondContact N-O 2.65Å; G434-V446 PolarHBondContact O-N 2.94Å
435	V	95.3	Very high	85.3	Confident	39 Å²	39	69.1 Å²	69.1	24%	0.236	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	116.4	176.5	-178.1	0	0	0	0	109.1	I418 R443 V444	I418-V435 HydrophobicContact CB-CB 4.46Å; I418-V435 PolarHBondContact N-O 3.37Å; I418-V435 PolarHBondContact O-N 2.82Å; V435-R443 HydrophobicContact CG1-CB 3.84Å; V435-R443 HydrophobicContact CG1-CG 4.25Å; V435-V444 CarbonylContact C-O 3.58Å; V435-V444 WeakPolarHBondContact CA-O 3.4Å
436	Y	94.9	Very high	86.3	Confident	39 Å²	39	62.4 Å²	62.4	15%	0.153	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	122.4	170.3	177.2	-149.5	0	0	0	109.6	I412 D416 I417 R438 R443 V444 I481	I412-Y436 HydrophobicContact CD1-CD1 4.42Å; I412-Y436 HydrophobicContact CD1-CE1 3.99Å; I412-Y436 HydrophobicContact CD1-CE2 4.32Å; I412-Y436 HydrophobicContact CG1-CE2 4.37Å; I412-Y436 HydrophobicContact CG2-CD2 4.12Å; I412-Y436 HydrophobicContact CG2-CE2 3.69Å; D416-Y436 HydrophobicContact CB-CD2 3.93Å; D416-Y436 HydrophobicContact CB-CE2 3.81Å; I417-Y436 HydrophobicContact CD1-CD2 3.69Å; I417-Y436 HydrophobicContact CD1-CG 3.85Å; Y436-R438 HydrophobicContact CD1-CG 4.08Å; Y436-R438 HydrophobicContact CE1-CG 3.75Å; Y436-R443 WeakPolarHBondContact O-CA 3.45Å; Y436-V444 PolarHBondContact N-O 3.09Å; Y436-V444 PolarHBondContact O-N 3.43Å; Y436-I481 HydrophobicContact CD1-CG2 3.69Å; Y436-I481 HydrophobicContact CE1-CG2 3.77Å
437	K	93.4	Very high	87.7	Confident	73 Å²	73	61.3 Å²	61.3	32%	0.317	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	116.3	167	-52.1	166.4	-150.9	142.4	0	107.4	S415 D416	S415-K437 PolarHBondContact O-NZ 2.86Å; D416-K437 WeakPolarHBondContact CB-O 3.37Å; D416-K437 PolarHBondContact O-N 3.44Å
438	R	86.4	Confident	89.1	Confident	92 Å²	92	53.2 Å²	53.2	35%	0.347	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-80.6	154	170	-72.9	175	175.7	167.5	5.1	109.9	Y436 N440 G441 E442	Y436-R438 HydrophobicContact CD1-CG 4.08Å; Y436-R438 HydrophobicContact CE1-CG 3.75Å; R438-N440 WeakPolarHBondContact CB-OD1 3.34Å; R438-N440 PolarHBondContact O-N 3.09Å; R438-G441 PolarHBondContact O-N 3.02Å; R438-E442 HydrophobicContact CB-CB 4.31Å; R438-E442 WeakPolarHBondContact CD-OE2 3.23Å; R438-E442 IonicContact CZ-OE1 3.78Å; R438-E442 IonicContact CZ-OE2 2.72Å; R438-E442 PolarHBondContact N-O 2.94Å; R438-E442 IonicContact NE-OE2 3.08Å; R438-E442 IonicContact NH1-OE1 3.76Å; R438-E442 PolarHBondContact NH1-OE1 2.99Å; R438-E442 IonicContact NH1-OE2 3.31Å; R438-E442 PolarHBondContact NH1-OE2 3.35Å
439	A	82.3	Confident	90.4	Very high	109 Å²	109	52.8 Å²	52.8	90%	0.901	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-14.6	176.5	0	0	0	0	0	115.1	G441	A439-G441 VanDerWaalsContact C-N 3.31Å
440	N	83.9	Confident	91	Very high	112 Å²	112	53.2 Å²	53.2	60%	0.599	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	2.1	171.2	68.1	-10.6	0	0	0	113.7	R438 E442	R438-N440 WeakPolarHBondContact CB-OD1 3.34Å; R438-N440 PolarHBondContact O-N 3.09Å; N440-E442 VanDerWaalsContact C-N 3.33Å; N440-E442 PolarHBondContact ND2-OE2 3.39Å; N440-E442 WeakPolarHBondContact OD1-CB 3.32Å; N440-E442 PolarHBondContact OD1-N 3Å
441	G	83	Confident	90.7	Very high	63 Å²	63	51.8 Å²	51.8	65%	0.649	28%	0.281	S	S	*	.	S	Bend	trans	84.2	-3.7	-176	0	0	0	0	0	115.3	R438 A439	R438-G441 PolarHBondContact O-N 3.02Å; A439-G441 VanDerWaalsContact C-N 3.31Å
442	E	90.9	Very high	89.7	Confident	84 Å²	84	55.4 Å²	55.4	39%	0.393	29%	0.293	S	S	.	.			trans	-69.5	138.9	177.7	-171.6	-171.6	168.2	0	0	110.9	R438 N440 V444	R438-E442 HydrophobicContact CB-CB 4.31Å; R438-E442 WeakPolarHBondContact CD-OE2 3.23Å; R438-E442 IonicContact CZ-OE1 3.78Å; R438-E442 IonicContact CZ-OE2 2.72Å; R438-E442 PolarHBondContact N-O 2.94Å; R438-E442 IonicContact NE-OE2 3.08Å; R438-E442 IonicContact NH1-OE1 3.76Å; R438-E442 PolarHBondContact NH1-OE1 2.99Å; R438-E442 IonicContact NH1-OE2 3.31Å; R438-E442 PolarHBondContact NH1-OE2 3.35Å; N440-E442 VanDerWaalsContact C-N 3.33Å; N440-E442 PolarHBondContact ND2-OE2 3.39Å; N440-E442 WeakPolarHBondContact OD1-CB 3.32Å; N440-E442 PolarHBondContact OD1-N 3Å; E442-V444 HydrophobicContact CG-CG2 4.32Å
443	R	91.8	Very high	88.5	Confident	188 Å²	188	57.2 Å²	57.2	71%	0.709	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.8	176.7	-65.6	-174.6	-174.2	-168.2	1.4	110	V435 Y436	V435-R443 HydrophobicContact CG1-CB 3.84Å; V435-R443 HydrophobicContact CG1-CG 4.25Å; Y436-R443 WeakPolarHBondContact O-CA 3.45Å
444	V	92.8	Very high	87	Confident	29 Å²	29	59.2 Å²	59.2	18%	0.176	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.2	-179	-177.3	0	0	0	0	109.2	V435 Y436 E442 V446 I481	V435-V444 CarbonylContact C-O 3.58Å; V435-V444 WeakPolarHBondContact CA-O 3.4Å; Y436-V444 PolarHBondContact N-O 3.09Å; Y436-V444 PolarHBondContact O-N 3.43Å; E442-V444 HydrophobicContact CG-CG2 4.32Å; V444-V446 HydrophobicContact CG1-CG1 4.26Å; V444-I481 HydrophobicContact CG1-CD1 4.41Å
445	N	93.9	Very high	85.9	Confident	105 Å²	105	61.5 Å²	61.5	56%	0.561	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	128.2	173.5	-66.4	-10.3	0	0	0	109.6	G434 L495	G434-N445 WeakPolarHBondContact O-CA 3.38Å; N445-L495 HydrophobicContact CB-CB 4.37Å; N445-L495 HydrophobicContact CB-CD2 4.15Å
446	V	95.6	Very high	84.5	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	153.1	-172	-60.3	0	0	0	0	112	I417 D433 G434 V444 V448 I481 V492 M493	I417-V446 HydrophobicContact CD1-CG2 4.37Å; D433-V446 CarbonylContact C-O 3.47Å; G434-V446 PolarHBondContact N-O 2.65Å; G434-V446 PolarHBondContact O-N 2.94Å; V444-V446 HydrophobicContact CG1-CG1 4.26Å; V446-V448 HydrophobicContact CG2-CG2 3.89Å; V446-I481 HydrophobicContact CB-CD1 4.46Å; V446-I481 HydrophobicContact CG1-CD1 3.57Å; V446-V492 HydrophobicContact CB-CG1 3.7Å; V446-V492 HydrophobicContact CG1-CG1 3.89Å; V446-V492 HydrophobicContact CG2-CG1 3.9Å; V446-M493 CarbonylContact C-O 3.01Å; V446-M493 VanDerWaalsContact CA-O 3.29Å; V446-M493 WeakPolarHBondContact CA-O 3.44Å; V446-M493 WeakPolarHBondContact CB-O 3.44Å
447	A	95.1	Very high	83.1	Confident	11 Å²	11	66.1 Å²	66.1	9%	0.091	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	129.8	166.2	0	0	0	0	0	108.3	V431 Y432 M493 L495	V431-A447 HydrophobicContact CG1-CB 4.25Å; Y432-A447 WeakPolarHBondContact O-CA 3.46Å; A447-M493 HydrophobicContact CB-CB 4.47Å; A447-M493 PolarHBondContact N-O 2.91Å; A447-M493 PolarHBondContact O-N 2.66Å; A447-L495 HydrophobicContact CB-CD1 4.05Å
448	V	93.6	Very high	81.9	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	108.7	-175.5	-173.8	0	0	0	0	108.8	I417 L419 V431 Y432 V446 W490	I417-V448 HydrophobicContact CG2-CG2 4.08Å; L419-V448 HydrophobicContact CD1-CB 3.73Å; L419-V448 HydrophobicContact CD1-CG1 3.8Å; L419-V448 HydrophobicContact CD1-CG2 3.97Å; V431-V448 CarbonylContact C-O 3.6Å; V431-V448 WeakPolarHBondContact CA-O 3.22Å; Y432-V448 PolarHBondContact N-O 2.86Å; Y432-V448 PolarHBondContact O-N 3.3Å; V446-V448 HydrophobicContact CG2-CG2 3.89Å; V448-W490 HydrophobicContact CG1-CB 3.79Å; V448-W490 HydrophobicContact CG1-CD2 3.81Å; V448-W490 HydrophobicContact CG1-CE3 3.64Å; V448-W490 HydrophobicContact CG1-CG 3.88Å
449	K	91.8	Very high	81.2	Confident	16 Å²	16	61.1 Å²	61.1	7%	0.07	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	126.6	174.5	-162.9	179.7	-156.7	177.5	0	107.9	E430 V431 F462 E465 W490 I491 M493 D558	E430-K449 WeakPolarHBondContact O-CA 3.39Å; V431-K449 HydrophobicContact CG2-CB 4.37Å; V431-K449 HydrophobicContact CG2-CG 4.06Å; K449-F462 HydrophobicContact CD-CE2 4.21Å; K449-F462 HydrophobicContact CG-CE2 4Å; K449-F462 HydrophobicContact CG-CZ 4.4Å; K449-E465 IonicContact NZ-OE1 3.71Å; K449-E465 PolarHBondContact NZ-OE1 3.11Å; K449-E465 IonicContact NZ-OE2 3.95Å; K449-E465 PolarHBondContact NZ-OE2 2.88Å; K449-W490 WeakPolarHBondContact O-CA 3.14Å; K449-I491 HydrophobicContact CB-CB 4.3Å; K449-I491 PolarHBondContact N-O 3.21Å; K449-I491 PolarHBondContact O-N 2.91Å; K449-M493 HydrophobicContact CB-CE 3.87Å; K449-D558 IonicContact NZ-OD1 3.76Å; K449-D558 PolarHBondContact NZ-OD1 3.05Å; K449-D558 VanDerWaalsContact NZ-OD1 3.07Å
450	T	88.2	Confident	80.6	Confident	12 Å²	12	62.3 Å²	62.3	7%	0.074	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	154.4	179.2	67.1	0	0	0	0	111.1	G429 E430 Y432 W490	G429-T450 WeakPolarHBondContact CA-O 3.47Å; E430-T450 PolarHBondContact N-OG1 3.1Å; E430-T450 PolarHBondContact O-N 3.47Å; E430-T450 PolarHBondContact O-OG1 3.08Å; Y432-T450 HydrophobicContact CD2-CG2 3.84Å; Y432-T450 HydrophobicContact CE2-CG2 3.69Å; T450-W490 HydrophobicContact CG2-CG 4.23Å
451	C	81.1	Confident	79.9	Confident	6 Å²	6	60.2 Å²	60.2	4%	0.041	33%	0.327	C	S	.	.			trans	-98.1	125.1	169.5	-152.7	0	0	0	0	110	F428 D453 F462	F428-C451 WeakPolarHBondContact O-CA 3.41Å; C451-D453 PolarHBondContact SG-O 3.39Å; C451-F462 HydrophobicContact CB-CD1 3.98Å; C451-F462 HydrophobicContact CB-CD2 4.28Å; C451-F462 HydrophobicContact CB-CE1 3.88Å; C451-F462 HydrophobicContact CB-CE2 4.17Å; C451-F462 HydrophobicContact CB-CG 4.18Å; C451-F462 HydrophobicContact CB-CZ 3.97Å
452	K	69.1	Low	79.7	Confident	109 Å²	109	57.2 Å²	57.2	47%	0.474	30%	0.296	S	S	.	.	S	Bend	trans	-88.7	-22.9	176.7	-78.9	-174.2	-178.2	-172.1	0	113.7	E425 F428 E430	E425-K452 IonicContact OE1-NZ 2.99Å; E425-K452 PolarHBondContact OE1-NZ 2.8Å; F428-K452 PolarHBondContact O-N 3.04Å; E430-K452 WeakPolarHBondContact OE1-CE 3.49Å; E430-K452 IonicContact OE1-NZ 2.8Å; E430-K452 PolarHBondContact OE1-NZ 3Å; E430-K452 WeakPolarHBondContact OE2-CE 3.49Å; E430-K452 IonicContact OE2-NZ 2.69Å; E430-K452 PolarHBondContact OE2-NZ 3.41Å
453	D	67.1	Low	79.2	Confident	85 Å²	85	55.4 Å²	55.4	46%	0.455	29%	0.288	S	S	.	.			trans	-127.3	107.2	-177.4	178.9	-21.6	0	0	0	108.2	C451 S455 V458	C451-D453 PolarHBondContact SG-O 3.39Å; D453-S455 VanDerWaalsContact C-N 3.29Å; D453-S455 PolarHBondContact O-N 2.77Å; D453-S455 WeakPolarHBondContact OD1-CB 3.45Å; D453-S455 PolarHBondContact OD1-N 3.25Å; D453-S455 PolarHBondContact OD1-OG 2.98Å; D453-V458 HydrophobicContact CB-CG1 4.31Å; D453-V458 WeakPolarHBondContact O-CB 3.32Å; D453-V458 VanDerWaalsContact O-CG1 3.28Å; D453-V458 WeakPolarHBondContact O-CG1 3.43Å
454	C	63.1	Low	78.3	Confident	65 Å²	65	47.7 Å²	47.7	44%	0.439	26%	0.263	S	S	.	.			trans	-90.3	16.2	-175.4	-60.5	0	0	0	0	113.2	M459	C454-M459 HydrophobicContact CB-CE 4.05Å
455	S	71.3	Confident	77.9	Confident	54 Å²	54	46.3 Å²	46.3	38%	0.378	26%	0.255	S	S	.	.			trans	-59.3	140.2	171.8	59.4	0	0	0	0	110.8	D453 D457 V458 M459	D453-S455 VanDerWaalsContact C-N 3.29Å; D453-S455 PolarHBondContact O-N 2.77Å; D453-S455 WeakPolarHBondContact OD1-CB 3.45Å; D453-S455 PolarHBondContact OD1-N 3.25Å; D453-S455 PolarHBondContact OD1-OG 2.98Å; S455-D457 VanDerWaalsContact C-N 3.27Å; S455-D457 PolarHBondContact O-N 3.49Å; S455-D457 VanDerWaalsContact O-N 3.14Å; S455-V458 WeakPolarHBondContact O-CA 3.5Å; S455-V458 WeakPolarHBondContact O-CB 3.45Å; S455-V458 PolarHBondContact O-N 3.18Å; S455-V458 VanDerWaalsContact OG-CG2 3.27Å; S455-V458 WeakPolarHBondContact OG-CG2 3.22Å; S455-M459 PolarHBondContact O-N 3.04Å
456	S	66.2	Low	77.4	Confident	101 Å²	101	41.3 Å²	41.3	71%	0.706	23%	0.228	S	C	*	.	H	α-helix	trans	-50.3	-45	-170.8	179	0	0	0	0	113.4	V458 M459 E460	S456-V458 VanDerWaalsContact C-N 3.27Å; S456-V458 PolarHBondContact O-N 3.34Å; S456-M459 PolarHBondContact O-N 3.31Å; S456-E460 WeakPolarHBondContact O-CB 3.36Å; S456-E460 PolarHBondContact O-N 3.06Å
457	D	63.9	Low	76.6	Confident	75 Å²	75	45.2 Å²	45.2	40%	0.401	25%	0.251	S	S	.	.	H	α-helix	trans	-60.6	-31.4	177	-118.4	78.2	0	0	0	112.6	R77 S455 K461	R77-D457 IonicContact NH1-OD1 3.81Å; S455-D457 VanDerWaalsContact C-N 3.27Å; S455-D457 PolarHBondContact O-N 3.49Å; S455-D457 VanDerWaalsContact O-N 3.14Å; D457-K461 WeakPolarHBondContact O-CD 3.45Å; D457-K461 VanDerWaalsContact O-CG 3.29Å; D457-K461 WeakPolarHBondContact O-CG 3.41Å; D457-K461 PolarHBondContact O-NZ 3.46Å; D457-K461 IonicContact OD2-NZ 3.27Å; D457-K461 PolarHBondContact OD2-NZ 3.23Å
458	V	68.4	Low	76	Confident	31 Å²	31	45 Å²	45	19%	0.188	25%	0.249	C	C	.	.	H	α-helix	trans	-84.8	-43.3	178.1	-179.2	0	0	0	0	110.7	F428 D453 S455 S456 E460 K461 F462	F428-V458 HydrophobicContact CD1-CG1 3.77Å; F428-V458 HydrophobicContact CE1-CG1 4.23Å; D453-V458 HydrophobicContact CB-CG1 4.31Å; D453-V458 WeakPolarHBondContact O-CB 3.32Å; D453-V458 VanDerWaalsContact O-CG1 3.28Å; D453-V458 WeakPolarHBondContact O-CG1 3.43Å; S455-V458 WeakPolarHBondContact O-CA 3.5Å; S455-V458 WeakPolarHBondContact O-CB 3.45Å; S455-V458 PolarHBondContact O-N 3.18Å; S455-V458 VanDerWaalsContact OG-CG2 3.27Å; S455-V458 WeakPolarHBondContact OG-CG2 3.22Å; S456-V458 VanDerWaalsContact C-N 3.27Å; S456-V458 PolarHBondContact O-N 3.34Å; V458-E460 PolarHBondContact O-N 2.83Å; V458-K461 PolarHBondContact O-N 3.49Å; V458-K461 VanDerWaalsContact O-N 3.16Å; V458-F462 WeakPolarHBondContact O-CB 3.43Å; V458-F462 PolarHBondContact O-N 3Å
459	M	72.1	Confident	75.5	Confident	29 Å²	29	45.1 Å²	45.1	14%	0.143	25%	0.249	C	C	.	.	H	α-helix	trans	-61.7	-40.1	177.5	-172.7	62	80.7	0	0	112.4	C454 S455 S456 K461 F462 M463 D487 V489	C454-M459 HydrophobicContact CB-CE 4.05Å; S455-M459 PolarHBondContact O-N 3.04Å; S456-M459 PolarHBondContact O-N 3.31Å; M459-K461 VanDerWaalsContact C-N 3.33Å; M459-K461 PolarHBondContact O-N 3.2Å; M459-F462 PolarHBondContact O-N 3.06Å; M459-F462 HydrophobicContact SD-CD1 4.33Å; M459-M463 WeakPolarHBondContact O-CB 3.47Å; M459-M463 WeakPolarHBondContact O-CG 3.36Å; M459-M463 PolarHBondContact O-N 3.06Å; M459-M463 HydrophobicContact SD-CG 4.31Å; M459-D487 WeakPolarHBondContact CE-OD1 3.47Å; M459-V489 HydrophobicContact CE-CB 3.91Å; M459-V489 HydrophobicContact CE-CG2 3.63Å; M459-V489 HydrophobicContact SD-CB 3.84Å; M459-V489 HydrophobicContact SD-CG1 4.33Å; M459-V489 HydrophobicContact SD-CG2 3.76Å
460	E	70.6	Confident	75	Confident	133 Å²	133	49 Å²	49	62%	0.621	27%	0.266	S	S	*	.	H	α-helix	trans	-57.3	-46.3	173.3	-171.8	-154.4	164.9	0	0	111.2	S456 V458 M463 S464	S456-E460 WeakPolarHBondContact O-CB 3.36Å; S456-E460 PolarHBondContact O-N 3.06Å; V458-E460 PolarHBondContact O-N 2.83Å; E460-M463 PolarHBondContact O-N 2.99Å; E460-S464 WeakPolarHBondContact O-CB 3.15Å; E460-S464 PolarHBondContact O-N 3.19Å
461	K	68.3	Low	74.5	Confident	69 Å²	69	53.3 Å²	53.3	30%	0.3	29%	0.289	S	S	.	.	H	α-helix	trans	-67.3	-39.9	-179.8	-65.6	173.5	-171.4	82.1	0	111.1	F428 D457 V458 M459 S464	F428-K461 HydrophobicContact CE1-CB 3.76Å; F428-K461 HydrophobicContact CZ-CB 3.89Å; D457-K461 WeakPolarHBondContact O-CD 3.45Å; D457-K461 VanDerWaalsContact O-CG 3.29Å; D457-K461 WeakPolarHBondContact O-CG 3.41Å; D457-K461 PolarHBondContact O-NZ 3.46Å; D457-K461 IonicContact OD2-NZ 3.27Å; D457-K461 PolarHBondContact OD2-NZ 3.23Å; V458-K461 PolarHBondContact O-N 3.49Å; V458-K461 VanDerWaalsContact O-N 3.16Å; M459-K461 VanDerWaalsContact C-N 3.33Å; M459-K461 PolarHBondContact O-N 3.2Å; K461-S464 PolarHBondContact O-N 3.49Å; K461-S464 PolarHBondContact O-OG 3.16Å
462	F	78.6	Confident	74.8	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-50.9	175.3	-169.2	-108.6	0	0	0	111.7	F428 K449 C451 V458 M459 S464 E465 V489 I491	F428-F462 HydrophobicContact CB-CD2 3.66Å; F428-F462 HydrophobicContact CB-CE2 4.05Å; F428-F462 HydrophobicContact CD1-CD2 4.49Å; F428-F462 HydrophobicContact CD2-CD2 4.48Å; F428-F462 AromaticContact CG-CD2 3.99Å; F428-F462 HydrophobicContact CG-CD2 3.99Å; K449-F462 HydrophobicContact CD-CE2 4.21Å; K449-F462 HydrophobicContact CG-CE2 4Å; K449-F462 HydrophobicContact CG-CZ 4.4Å; C451-F462 HydrophobicContact CB-CD1 3.98Å; C451-F462 HydrophobicContact CB-CD2 4.28Å; C451-F462 HydrophobicContact CB-CE1 3.88Å; C451-F462 HydrophobicContact CB-CE2 4.17Å; C451-F462 HydrophobicContact CB-CG 4.18Å; C451-F462 HydrophobicContact CB-CZ 3.97Å; V458-F462 WeakPolarHBondContact O-CB 3.43Å; V458-F462 PolarHBondContact O-N 3Å; M459-F462 PolarHBondContact O-N 3.06Å; M459-F462 HydrophobicContact SD-CD1 4.33Å; F462-S464 VanDerWaalsContact C-N 3.29Å; F462-S464 PolarHBondContact O-N 3.11Å; F462-E465 WeakPolarHBondContact O-CB 3.49Å; F462-E465 PolarHBondContact O-N 3.07Å; F462-V489 HydrophobicContact CD1-CG1 4.29Å; F462-V489 HydrophobicContact CE1-CB 4.42Å; F462-V489 HydrophobicContact CE1-CG1 4.09Å; F462-V489 WeakPolarHBondContact CE1-O 3.35Å; F462-I491 HydrophobicContact CD1-CD1 3.95Å; F462-I491 HydrophobicContact CD1-CG1 4.31Å; F462-I491 HydrophobicContact CD2-CD1 4.24Å; F462-I491 HydrophobicContact CE1-CD1 3.71Å; F462-I491 HydrophobicContact CE1-CG1 3.7Å; F462-I491 HydrophobicContact CE2-CD1 4.04Å; F462-I491 HydrophobicContact CG-CD1 4.21Å; F462-I491 HydrophobicContact CZ-CD1 3.76Å; F462-I491 HydrophobicContact CZ-CG1 3.9Å
463	M	79.7	Confident	75.7	Confident	45 Å²	45	53.4 Å²	53.4	22%	0.222	29%	0.294	C	S	.	.	H	α-helix	trans	-64.5	-31	176.6	-72.5	-63.6	-76.8	0	0	112.9	M459 E460 E465 A466 V467 I483 V489	M459-M463 WeakPolarHBondContact O-CB 3.47Å; M459-M463 WeakPolarHBondContact O-CG 3.36Å; M459-M463 PolarHBondContact O-N 3.06Å; M459-M463 HydrophobicContact SD-CG 4.31Å; E460-M463 PolarHBondContact O-N 2.99Å; M463-E465 PolarHBondContact O-N 3.42Å; M463-A466 PolarHBondContact O-N 3.13Å; M463-A466 VanDerWaalsContact O-N 3.16Å; M463-V467 WeakPolarHBondContact O-CG2 3.38Å; M463-V467 PolarHBondContact O-N 2.73Å; M463-I483 HydrophobicContact CE-CD1 4.4Å; M463-I483 HydrophobicContact CE-CG2 4.36Å; M463-I483 HydrophobicContact SD-CG2 4.26Å; M463-V489 HydrophobicContact SD-CG1 3.73Å
464	S	74.6	Confident	77	Confident	26 Å²	26	51 Å²	51	18%	0.182	28%	0.28	C	S	.	.	H	α-helix	trans	-59.5	-31.3	175.9	78.8	0	0	0	0	113.1	E460 K461 F462 I468 R563	E460-S464 WeakPolarHBondContact O-CB 3.15Å; E460-S464 PolarHBondContact O-N 3.19Å; K461-S464 PolarHBondContact O-N 3.49Å; K461-S464 PolarHBondContact O-OG 3.16Å; F462-S464 VanDerWaalsContact C-N 3.29Å; F462-S464 PolarHBondContact O-N 3.11Å; S464-I468 WeakPolarHBondContact O-CB 3.26Å; S464-I468 WeakPolarHBondContact O-CD1 3.25Å; S464-I468 VanDerWaalsContact O-CG1 3.3Å; S464-I468 WeakPolarHBondContact O-CG1 3.49Å; S464-I468 PolarHBondContact O-N 3.29Å; S464-R563 PolarHBondContact OG-NH2 3.46Å
465	E	83.4	Confident	78.6	Confident	1 Å²	1	52 Å²	52	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-67.1	-47	175.1	-173.1	173.9	168.8	0	0	111.6	K449 F462 M463 I468 M469 F559 G560	K449-E465 IonicContact NZ-OE1 3.71Å; K449-E465 PolarHBondContact NZ-OE1 3.11Å; K449-E465 IonicContact NZ-OE2 3.95Å; K449-E465 PolarHBondContact NZ-OE2 2.88Å; F462-E465 WeakPolarHBondContact O-CB 3.49Å; F462-E465 PolarHBondContact O-N 3.07Å; M463-E465 PolarHBondContact O-N 3.42Å; E465-I468 PolarHBondContact O-N 2.88Å; E465-M469 HydrophobicContact CG-SD 4.22Å; E465-M469 WeakPolarHBondContact O-CG 3.39Å; E465-M469 PolarHBondContact O-N 3Å; E465-F559 HydrophobicContact CG-CB 3.97Å; E465-F559 PolarHBondContact OE1-N 2.71Å; E465-G560 WeakPolarHBondContact OE2-CA 3.28Å
466	A	82.8	Confident	79.9	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.3	-39	177.9	0	0	0	0	0	112.3	M463 I468 M469 K470 I483 I491	M463-A466 PolarHBondContact O-N 3.13Å; M463-A466 VanDerWaalsContact O-N 3.16Å; A466-I468 VanDerWaalsContact C-N 3.33Å; A466-I468 PolarHBondContact O-N 3.34Å; A466-M469 PolarHBondContact O-N 2.85Å; A466-K470 WeakPolarHBondContact O-CB 3.23Å; A466-K470 PolarHBondContact O-N 3.06Å; A466-I483 HydrophobicContact CB-CD1 3.63Å; A466-I483 HydrophobicContact CB-CG1 4.05Å; A466-I491 HydrophobicContact CB-CD1 3.99Å; A466-I491 HydrophobicContact CB-CG1 4.08Å; A466-I491 HydrophobicContact CB-CG2 4.24Å
467	V	80.6	Confident	81.3	Confident	81 Å²	81	45.8 Å²	45.8	49%	0.491	24%	0.24	S	C	.	.	H	α-helix	trans	-62.8	-39	175.4	170.6	0	0	0	0	111.6	M463	M463-V467 WeakPolarHBondContact O-CG2 3.38Å; M463-V467 PolarHBondContact O-N 2.73Å
468	I	81.3	Confident	82.7	Confident	7 Å²	7	42.5 Å²	42.5	4%	0.036	22%	0.222	C	C	.	.	H	α-helix	trans	-63.6	-54.5	171.6	-76.7	166.8	0	0	0	110.4	S464 E465 A466 K470 N471 L472 M536 F559 S562 Y564	S464-I468 WeakPolarHBondContact O-CB 3.26Å; S464-I468 WeakPolarHBondContact O-CD1 3.25Å; S464-I468 VanDerWaalsContact O-CG1 3.3Å; S464-I468 WeakPolarHBondContact O-CG1 3.49Å; S464-I468 PolarHBondContact O-N 3.29Å; E465-I468 PolarHBondContact O-N 2.88Å; A466-I468 VanDerWaalsContact C-N 3.33Å; A466-I468 PolarHBondContact O-N 3.34Å; I468-K470 VanDerWaalsContact C-N 3.26Å; I468-K470 PolarHBondContact O-N 3.09Å; I468-N471 PolarHBondContact O-N 3.4Å; I468-L472 HydrophobicContact CG2-CD1 4.2Å; I468-M536 HydrophobicContact CD1-SD 4.42Å; I468-M536 HydrophobicContact CG1-SD 4.4Å; I468-M536 HydrophobicContact CG2-CE 3.75Å; I468-M536 HydrophobicContact CG2-SD 3.4Å; I468-M536 WeakPolarHBondContact CG2-SD 3.31Å; I468-F559 HydrophobicContact CG2-CB 4.04Å; I468-F559 HydrophobicContact CG2-CD1 3.97Å; I468-F559 HydrophobicContact CG2-CG 4.21Å; I468-S562 WeakPolarHBondContact CD1-O 3.32Å; I468-Y564 HydrophobicContact CG1-CE2 4.05Å
469	M	83.9	Confident	83.9	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.015	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-28.2	-173.9	-69.5	-179	68.1	0	0	113.7	E465 A466 N471 L472 V478 L480 M493 F559	E465-M469 HydrophobicContact CG-SD 4.22Å; E465-M469 WeakPolarHBondContact O-CG 3.39Å; E465-M469 PolarHBondContact O-N 3Å; A466-M469 PolarHBondContact O-N 2.85Å; M469-N471 PolarHBondContact O-N 2.98Å; M469-N471 VanDerWaalsContact O-N 3.12Å; M469-L472 PolarHBondContact O-N 3.17Å; M469-L472 VanDerWaalsContact O-N 3.13Å; M469-V478 HydrophobicContact CE-CB 4.37Å; M469-V478 HydrophobicContact CE-CG1 4.13Å; M469-V478 WeakPolarHBondContact CE-O 3.49Å; M469-L480 HydrophobicContact CB-CB 4.03Å; M469-M493 HydrophobicContact CE-CG 4.04Å; M469-M493 HydrophobicContact CE-SD 3.81Å; M469-M493 HydrophobicContact SD-SD 4.19Å; M469-F559 HydrophobicContact CE-CD2 4.38Å; M469-F559 HydrophobicContact CG-CB 4.05Å; M469-F559 HydrophobicContact CG-CD2 3.61Å; M469-F559 HydrophobicContact CG-CE2 4.35Å; M469-F559 HydrophobicContact CG-CG 3.98Å; M469-F559 HydrophobicContact SD-CD2 3.88Å
470	K	80.8	Confident	84.8	Confident	98 Å²	98	44 Å²	44	43%	0.426	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-29.5	175.1	178.7	-179.1	175.7	180	0	113.9	Y410 A466 I468 L480	Y410-K470 HydrophobicContact CD2-CD 4.32Å; Y410-K470 HydrophobicContact CD2-CG 4.16Å; Y410-K470 HydrophobicContact CE2-CD 4.42Å; Y410-K470 HydrophobicContact CE2-CG 3.92Å; A466-K470 WeakPolarHBondContact O-CB 3.23Å; A466-K470 PolarHBondContact O-N 3.06Å; I468-K470 VanDerWaalsContact C-N 3.26Å; I468-K470 PolarHBondContact O-N 3.09Å; K470-L480 HydrophobicContact CB-CD2 4.08Å
471	N	78.1	Confident	85.8	Confident	101 Å²	101	39.3 Å²	39.3	54%	0.54	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	4.1	-175.6	-61.6	-30.4	0	0	0	113.5	I468 M469	I468-N471 PolarHBondContact O-N 3.4Å; M469-N471 PolarHBondContact O-N 2.98Å; M469-N471 VanDerWaalsContact O-N 3.12Å
472	L	86.1	Confident	86.9	Confident	10 Å²	10	36 Å²	36	5%	0.052	19%	0.19	C	C	.	.			trans	-102.7	122.1	-177	-51	178.1	0	0	0	111.2	I468 M469 I477 Y530 L531 M536 F559	I468-L472 HydrophobicContact CG2-CD1 4.2Å; M469-L472 PolarHBondContact O-N 3.17Å; M469-L472 VanDerWaalsContact O-N 3.13Å; L472-I477 HydrophobicContact CB-CG2 4.22Å; L472-I477 HydrophobicContact CD1-CG2 4.21Å; L472-Y530 HydrophobicContact CB-CE1 4.37Å; L472-Y530 HydrophobicContact CD2-CE1 4.14Å; L472-L531 HydrophobicContact CD2-CD2 4.25Å; L472-M536 HydrophobicContact CD1-CE 3.86Å; L472-M536 HydrophobicContact CD2-CE 3.72Å; L472-M536 HydrophobicContact CG-CE 4.4Å; L472-F559 HydrophobicContact CD1-CD1 3.92Å; L472-F559 HydrophobicContact CD1-CD2 4.41Å; L472-F559 HydrophobicContact CD1-CE1 3.52Å; L472-F559 HydrophobicContact CD1-CE2 4.03Å; L472-F559 HydrophobicContact CD1-CG 4.37Å; L472-F559 HydrophobicContact CD1-CZ 3.58Å
473	D	88.9	Confident	87.4	Confident	107 Å²	107	36.8 Å²	36.8	57%	0.572	19%	0.194	S	C	*	.			trans	-136.2	102.1	170.3	-161.3	30.3	0	0	0	110.6	K479 Y530	D473-K479 IonicContact OD1-NZ 2.74Å; D473-K479 PolarHBondContact OD1-NZ 3.4Å; D473-K479 IonicContact OD2-NZ 3.7Å; D473-Y530 PolarHBondContact N-OH 3.43Å
474	H	95	Very high	87.9	Confident	35 Å²	35	34.6 Å²	34.6	16%	0.162	18%	0.184	C	C	.	.			trans	-152.9	138	-178.6	179.8	-101	0	0	0	110	H476 I477 A527 Y530	H474-H476 AromaticContact CE1-CD2 3.89Å; H474-H476 PolarHBondContact ND1-N 3.02Å; H474-H476 PolarHBondContact O-N 2.94Å; H474-I477 HydrophobicContact CB-CB 4.26Å; H474-I477 HydrophobicContact CB-CD1 3.96Å; H474-I477 HydrophobicContact CB-CG1 4.11Å; H474-I477 PolarHBondContact O-N 2.94Å; H474-A527 VanDerWaalsContact CE1-CA 3.44Å; H474-A527 WeakPolarHBondContact CE1-CA 3.49Å; H474-A527 PolarHBondContact CE1-N 3.39Å; H474-Y530 HydrophobicContact CB-CD1 3.77Å; H474-Y530 HydrophobicContact CB-CD2 4.37Å; H474-Y530 HydrophobicContact CB-CE1 3.96Å; H474-Y530 HydrophobicContact CB-CG 3.99Å
475	P	95.9	Very high	88.2	Confident	86 Å²	86	37.3 Å²	37.3	56%	0.558	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.8	-174.8	21.5	-35.2	0	0	0	115.1	K555	P475-K555 VanDerWaalsContact O-CE 3.29Å; P475-K555 WeakPolarHBondContact O-CE 3.48Å
476	H	97.6	Very high	88.1	Confident	22 Å²	22	41.4 Å²	41.4	10%	0.102	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	28.5	177	-55.2	-59.3	0	0	0	113.3	H474 Q523 A527 V554 K555 L556	H474-H476 AromaticContact CE1-CD2 3.89Å; H474-H476 PolarHBondContact ND1-N 3.02Å; H474-H476 PolarHBondContact O-N 2.94Å; H476-Q523 HydrophobicContact CB-CB 4.43Å; H476-Q523 WeakPolarHBondContact CB-O 3.46Å; H476-Q523 VanDerWaalsContact CE1-CG 3.42Å; H476-Q523 WeakPolarHBondContact CE1-CG 3.37Å; H476-A527 HydrophobicContact CB-CB 4.21Å; H476-A527 WeakPolarHBondContact O-CB 3.32Å; H476-V554 PolarHBondContact ND1-O 3.12Å; H476-K555 WeakPolarHBondContact O-CA 3.25Å; H476-L556 PolarHBondContact O-N 2.7Å
477	I	96.1	Very high	87.8	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.015	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-123.7	146.3	171.1	-69.6	-179.4	0	0	0	109.9	L472 H474 A527 Y530 L531 K555 L556 F559	L472-I477 HydrophobicContact CB-CG2 4.22Å; L472-I477 HydrophobicContact CD1-CG2 4.21Å; H474-I477 HydrophobicContact CB-CB 4.26Å; H474-I477 HydrophobicContact CB-CD1 3.96Å; H474-I477 HydrophobicContact CB-CG1 4.11Å; H474-I477 PolarHBondContact O-N 2.94Å; I477-A527 HydrophobicContact CD1-CB 4.33Å; I477-A527 HydrophobicContact CG1-CB 3.87Å; I477-Y530 HydrophobicContact CD1-CD1 3.62Å; I477-Y530 HydrophobicContact CD1-CE1 3.99Å; I477-L531 HydrophobicContact CD1-CD2 3.55Å; I477-L531 HydrophobicContact CD1-CG 4.35Å; I477-K555 WeakPolarHBondContact O-CD 3.41Å; I477-K555 WeakPolarHBondContact O-CE 3.39Å; I477-K555 PolarHBondContact O-NZ 3.34Å; I477-L556 WeakPolarHBondContact CA-O 3.24Å; I477-F559 HydrophobicContact CG2-CE2 3.98Å; I477-F559 HydrophobicContact CG2-CZ 3.83Å
478	V	94.7	Very high	87.8	Confident	6 Å²	6	45.3 Å²	45.3	4%	0.036	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-68.3	126.4	172.7	178	0	0	0	0	109.6	M469 M493 Y496 L547 K555 L556	M469-V478 HydrophobicContact CE-CB 4.37Å; M469-V478 HydrophobicContact CE-CG1 4.13Å; M469-V478 WeakPolarHBondContact CE-O 3.49Å; V478-M493 HydrophobicContact CG1-CB 4.21Å; V478-M493 HydrophobicContact CG1-SD 4.32Å; V478-Y496 HydrophobicContact CB-CE2 4.37Å; V478-Y496 HydrophobicContact CG1-CE2 4.06Å; V478-Y496 HydrophobicContact CG2-CE2 3.86Å; V478-L547 HydrophobicContact CG2-CD1 3.93Å; V478-L547 HydrophobicContact CG2-CG 4.42Å; V478-K555 HydrophobicContact CG2-CB 4.14Å; V478-L556 WeakPolarHBondContact CG2-O 3.25Å; V478-L556 PolarHBondContact N-O 3.1Å
479	K	92.3	Very high	87.9	Confident	78 Å²	78	45.3 Å²	45.3	34%	0.339	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-92.4	133	-173.9	-168.2	158.4	-172.8	152.7	0	111.9	D473 M493 E494	D473-K479 IonicContact OD1-NZ 2.74Å; D473-K479 PolarHBondContact OD1-NZ 3.4Å; D473-K479 IonicContact OD2-NZ 3.7Å; K479-M493 WeakPolarHBondContact O-CA 3.41Å; K479-E494 HydrophobicContact CB-CG 4.08Å; K479-E494 PolarHBondContact O-N 2.9Å; K479-E494 VanDerWaalsContact O-N 3.12Å
480	L	92.3	Very high	88.3	Confident	13 Å²	13	46.8 Å²	46.8	7%	0.068	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	132	166.3	-175.7	71	0	0	0	109.4	M469 K470 I491	M469-L480 HydrophobicContact CB-CB 4.03Å; K470-L480 HydrophobicContact CB-CD2 4.08Å; L480-I491 HydrophobicContact CD1-CG2 3.55Å
481	I	91.7	Very high	88.8	Confident	34 Å²	34	42.1 Å²	42.1	17%	0.174	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-39.3	174	-63.1	177.4	0	0	0	109.9	I412 Y436 V444 V446 V492 E494	I412-I481 HydrophobicContact CD1-CG2 4.14Å; Y436-I481 HydrophobicContact CD1-CG2 3.69Å; Y436-I481 HydrophobicContact CE1-CG2 3.77Å; V444-I481 HydrophobicContact CG1-CD1 4.41Å; V446-I481 HydrophobicContact CB-CD1 4.46Å; V446-I481 HydrophobicContact CG1-CD1 3.57Å; I481-V492 HydrophobicContact CB-CG1 4.26Å; I481-V492 HydrophobicContact CG2-CG1 4.47Å; I481-V492 PolarHBondContact N-O 3.46Å; I481-E494 HydrophobicContact CD1-CG 4.19Å; I481-E494 HydrophobicContact CG1-CG 4.4Å
482	G	90.3	Very high	89.5	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.8	-171.7	173.7	0	0	0	0	0	113.2	Y410 V492	Y410-G482 CarbonylContact O-C 3.52Å; Y410-G482 WeakPolarHBondContact O-CA 3.37Å; G482-V492 PolarHBondContact N-O 3.02Å; G482-V492 PolarHBondContact O-N 3.16Å
483	I	90.3	Very high	89.9	Confident	16 Å²	16	37.7 Å²	37.7	8%	0.082	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	137	-177.5	-50.1	173.2	0	0	0	107.9	Y410 G411 I412 M463 A466 E485 V489 W490	Y410-I483 PolarHBondContact O-N 3.35Å; G411-I483 CarbonylContact C-O 3.55Å; G411-I483 WeakPolarHBondContact CA-O 3.39Å; I412-I483 PolarHBondContact N-O 3.2Å; M463-I483 HydrophobicContact CE-CD1 4.4Å; M463-I483 HydrophobicContact CE-CG2 4.36Å; M463-I483 HydrophobicContact SD-CG2 4.26Å; A466-I483 HydrophobicContact CB-CD1 3.63Å; A466-I483 HydrophobicContact CB-CG1 4.05Å; I483-E485 HydrophobicContact CG2-CG 4.04Å; I483-V489 HydrophobicContact CG2-CG1 4.25Å; I483-W490 WeakPolarHBondContact CA-O 3.29Å
484	I	89	Confident	90.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	110.2	162.8	-70.8	156.4	0	0	0	106.2	I412 R414 I417 E486 V489 W490 V492	I412-I484 HydrophobicContact CB-CG1 4.15Å; I412-I484 HydrophobicContact CG2-CG1 4.29Å; I412-I484 VanDerWaalsContact O-CG1 3.29Å; I412-I484 WeakPolarHBondContact O-CG1 3.3Å; R414-I484 HydrophobicContact CB-CD1 4.49Å; R414-I484 HydrophobicContact CB-CG2 4.16Å; I417-I484 HydrophobicContact CB-CD1 4.36Å; I417-I484 HydrophobicContact CG1-CD1 3.68Å; I484-E486 VanDerWaalsContact C-N 3.33Å; I484-E486 HydrophobicContact CG2-CB 3.96Å; I484-E486 HydrophobicContact CG2-CG 4.35Å; I484-V489 WeakPolarHBondContact O-CA 3.4Å; I484-V489 WeakPolarHBondContact O-CG1 3.29Å; I484-W490 HydrophobicContact CB-CB 4.22Å; I484-W490 HydrophobicContact CD1-CB 4.31Å; I484-W490 HydrophobicContact CD1-CD2 4.18Å; I484-W490 HydrophobicContact CD1-CE3 3.44Å; I484-W490 VanDerWaalsContact CD1-CE3 3.44Å; I484-W490 HydrophobicContact CD1-CZ3 4.06Å; I484-W490 PolarHBondContact N-O 3.29Å; I484-W490 PolarHBondContact O-N 3.05Å; I484-W490 VanDerWaalsContact O-N 3.11Å; I484-V492 HydrophobicContact CD1-CG2 4.4Å
485	E	81.6	Confident	90.1	Very high	83 Å²	83	36.2 Å²	36.2	39%	0.388	19%	0.187	S	C	.	.			trans	-84.6	-6.3	-177.2	-64.9	-172.1	-145	0	0	113.4	R403 I483	R403-E485 IonicContact NH1-OE2 2.73Å; R403-E485 PolarHBondContact NH1-OE2 3.3Å; I483-E485 HydrophobicContact CG2-CG 4.04Å
486	E	80.6	Confident	90	Very high	87 Å²	87	33.2 Å²	33.2	41%	0.407	16%	0.164	S	C	.	.	S	Bend	trans	-68.1	138.2	168.9	-60.7	168	-142.7	0	0	110.9	R414 I484 P488 V489	R414-E486 WeakPolarHBondContact CB-OE1 3.2Å; R414-E486 WeakPolarHBondContact CB-OE2 3.27Å; R414-E486 IonicContact CZ-OE2 3.86Å; R414-E486 IonicContact NE-OE2 3.62Å; R414-E486 IonicContact NH1-OE2 3.92Å; R414-E486 PolarHBondContact NH1-OE2 2.86Å; R414-E486 PolarHBondContact NH2-O 3.14Å; I484-E486 VanDerWaalsContact C-N 3.33Å; I484-E486 HydrophobicContact CG2-CB 3.96Å; I484-E486 HydrophobicContact CG2-CG 4.35Å; E486-P488 CarbonylContact O-C 3.6Å; E486-V489 WeakPolarHBondContact O-CA 3.48Å; E486-V489 PolarHBondContact O-N 3.12Å
487	D	75.8	Confident	89.6	Confident	102 Å²	102	39.6 Å²	39.6	55%	0.545	19%	0.194	S	C	.	.	S	Bend	trans	-69.5	143.6	173.4	-85.1	-56.3	0	0	0	112.9	R414 M459	R414-D487 PolarHBondContact NH1-O 3.33Å; R414-D487 VanDerWaalsContact NH2-C 3.26Å; R414-D487 PolarHBondContact NH2-O 2.71Å; R414-D487 VanDerWaalsContact NH2-O 3.12Å; M459-D487 WeakPolarHBondContact CE-OD1 3.47Å
488	P	80.6	Confident	89.5	Confident	61 Å²	61	43.7 Å²	43.7	40%	0.396	21%	0.21	S	C	.	.	S	Bend	cis	-70	127.5	-12.2	30	-33.8	0	0	0	111.4	R414 E486 W490	R414-P488 PolarHBondContact NH2-O 3.42Å; E486-P488 CarbonylContact O-C 3.6Å; P488-W490 PolarHBondContact O-NE1 3.45Å; P488-W490 VanDerWaalsContact O-NE1 3.13Å
489	V	85.2	Confident	89.4	Confident	7 Å²	7	44.8 Å²	44.8	4%	0.042	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-58.2	135	-174.7	175.4	0	0	0	0	112.3	M459 F462 M463 I483 I484 E486	M459-V489 HydrophobicContact CE-CB 3.91Å; M459-V489 HydrophobicContact CE-CG2 3.63Å; M459-V489 HydrophobicContact SD-CB 3.84Å; M459-V489 HydrophobicContact SD-CG1 4.33Å; M459-V489 HydrophobicContact SD-CG2 3.76Å; F462-V489 HydrophobicContact CD1-CG1 4.29Å; F462-V489 HydrophobicContact CE1-CB 4.42Å; F462-V489 HydrophobicContact CE1-CG1 4.09Å; F462-V489 WeakPolarHBondContact CE1-O 3.35Å; M463-V489 HydrophobicContact SD-CG1 3.73Å; I483-V489 HydrophobicContact CG2-CG1 4.25Å; I484-V489 WeakPolarHBondContact O-CA 3.4Å; I484-V489 WeakPolarHBondContact O-CG1 3.29Å; E486-V489 WeakPolarHBondContact O-CA 3.48Å; E486-V489 PolarHBondContact O-N 3.12Å
490	W	91.1	Very high	89.5	Confident	33 Å²	33	43.3 Å²	43.3	13%	0.125	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	142	177.5	-57.7	-9.7	0	0	0	112.5	R414 I417 L419 V448 K449 T450 I483 I484 P488	R414-W490 HydrophobicContact CG-CH2 4.24Å; R414-W490 HydrophobicContact CG-CZ3 4.32Å; I417-W490 HydrophobicContact CB-CZ3 4.23Å; I417-W490 HydrophobicContact CG2-CE3 4.3Å; I417-W490 HydrophobicContact CG2-CZ3 3.91Å; L419-W490 HydrophobicContact CD1-CH2 4.49Å; L419-W490 HydrophobicContact CD1-CZ3 4.29Å; L419-W490 HydrophobicContact CD2-CH2 4.32Å; L419-W490 HydrophobicContact CD2-CZ2 4.43Å; V448-W490 HydrophobicContact CG1-CB 3.79Å; V448-W490 HydrophobicContact CG1-CD2 3.81Å; V448-W490 HydrophobicContact CG1-CE3 3.64Å; V448-W490 HydrophobicContact CG1-CG 3.88Å; K449-W490 WeakPolarHBondContact O-CA 3.14Å; T450-W490 HydrophobicContact CG2-CG 4.23Å; I483-W490 WeakPolarHBondContact CA-O 3.29Å; I484-W490 HydrophobicContact CB-CB 4.22Å; I484-W490 HydrophobicContact CD1-CB 4.31Å; I484-W490 HydrophobicContact CD1-CD2 4.18Å; I484-W490 HydrophobicContact CD1-CE3 3.44Å; I484-W490 VanDerWaalsContact CD1-CE3 3.44Å; I484-W490 HydrophobicContact CD1-CZ3 4.06Å; I484-W490 PolarHBondContact N-O 3.29Å; I484-W490 PolarHBondContact O-N 3.05Å; I484-W490 VanDerWaalsContact O-N 3.11Å; P488-W490 PolarHBondContact O-NE1 3.45Å; P488-W490 VanDerWaalsContact O-NE1 3.13Å
491	I	91.8	Very high	89.7	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	121.5	172.9	-56.1	170.3	0	0	0	108.5	K449 F462 A466 L480 M493	K449-I491 HydrophobicContact CB-CB 4.3Å; K449-I491 PolarHBondContact N-O 3.21Å; K449-I491 PolarHBondContact O-N 2.91Å; F462-I491 HydrophobicContact CD1-CD1 3.95Å; F462-I491 HydrophobicContact CD1-CG1 4.31Å; F462-I491 HydrophobicContact CD2-CD1 4.24Å; F462-I491 HydrophobicContact CE1-CD1 3.71Å; F462-I491 HydrophobicContact CE1-CG1 3.7Å; F462-I491 HydrophobicContact CE2-CD1 4.04Å; F462-I491 HydrophobicContact CG-CD1 4.21Å; F462-I491 HydrophobicContact CZ-CD1 3.76Å; F462-I491 HydrophobicContact CZ-CG1 3.9Å; A466-I491 HydrophobicContact CB-CD1 3.99Å; A466-I491 HydrophobicContact CB-CG1 4.08Å; A466-I491 HydrophobicContact CB-CG2 4.24Å; L480-I491 HydrophobicContact CD1-CG2 3.55Å; I491-M493 HydrophobicContact CG2-CG 4.29Å
492	V	93.5	Very high	89.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.6	-173.8	-171.1	0	0	0	0	110.4	I412 I417 V446 I481 G482 I484	I412-V492 HydrophobicContact CD1-CB 4.17Å; I412-V492 HydrophobicContact CD1-CG1 4.37Å; I412-V492 HydrophobicContact CD1-CG2 4.28Å; I417-V492 HydrophobicContact CD1-CG1 4.13Å; I417-V492 HydrophobicContact CD1-CG2 4.32Å; I417-V492 HydrophobicContact CG1-CG2 4.49Å; V446-V492 HydrophobicContact CB-CG1 3.7Å; V446-V492 HydrophobicContact CG1-CG1 3.89Å; V446-V492 HydrophobicContact CG2-CG1 3.9Å; I481-V492 HydrophobicContact CB-CG1 4.26Å; I481-V492 HydrophobicContact CG2-CG1 4.47Å; I481-V492 PolarHBondContact N-O 3.46Å; G482-V492 PolarHBondContact N-O 3.02Å; G482-V492 PolarHBondContact O-N 3.16Å; I484-V492 HydrophobicContact CD1-CG2 4.4Å
493	M	94.4	Very high	90	Very high	19 Å²	19	47.2 Å²	47.2	9%	0.094	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	164.2	-172.8	-62.2	172	-74.3	0	0	111.9	V446 A447 K449 M469 V478 K479 I491 L495	V446-M493 CarbonylContact C-O 3.01Å; V446-M493 VanDerWaalsContact CA-O 3.29Å; V446-M493 WeakPolarHBondContact CA-O 3.44Å; V446-M493 WeakPolarHBondContact CB-O 3.44Å; A447-M493 HydrophobicContact CB-CB 4.47Å; A447-M493 PolarHBondContact N-O 2.91Å; A447-M493 PolarHBondContact O-N 2.66Å; K449-M493 HydrophobicContact CB-CE 3.87Å; M469-M493 HydrophobicContact CE-CG 4.04Å; M469-M493 HydrophobicContact CE-SD 3.81Å; M469-M493 HydrophobicContact SD-SD 4.19Å; V478-M493 HydrophobicContact CG1-CB 4.21Å; V478-M493 HydrophobicContact CG1-SD 4.32Å; K479-M493 WeakPolarHBondContact O-CA 3.41Å; I491-M493 HydrophobicContact CG2-CG 4.29Å; M493-L495 PolarHBondContact O-N 3.39Å
494	E	93.4	Very high	90.3	Very high	59 Å²	59	47.4 Å²	47.4	28%	0.276	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	132.4	169	-79.2	178.5	-175.3	0	0	112	K479 I481 Y496 K555	K479-E494 HydrophobicContact CB-CG 4.08Å; K479-E494 PolarHBondContact O-N 2.9Å; K479-E494 VanDerWaalsContact O-N 3.12Å; I481-E494 HydrophobicContact CD1-CG 4.19Å; I481-E494 HydrophobicContact CG1-CG 4.4Å; E494-Y496 HydrophobicContact CB-CE1 3.88Å; E494-Y496 HydrophobicContact CB-CE2 4.26Å; E494-Y496 WeakPolarHBondContact CB-OH 3.35Å; E494-Y496 WeakPolarHBondContact O-CE2 3.48Å; E494-Y496 WeakPolarHBondContact OE2-CE1 3.4Å; E494-Y496 PolarHBondContact OE2-OH 2.85Å; E494-K555 IonicContact OE2-NZ 3.97Å; E494-K555 PolarHBondContact OE2-NZ 3.25Å
495	L	93.7	Very high	90.7	Very high	52 Å²	52	47.4 Å²	47.4	27%	0.272	23%	0.234	S	C	.	.			trans	-90.7	136.3	172.8	-174.6	63.3	0	0	0	111.7	L423 D433 N445 A447 M493	L423-L495 HydrophobicContact CD1-CD1 3.49Å; L423-L495 VanDerWaalsContact CD1-CD1 3.49Å; D433-L495 HydrophobicContact CB-CD2 3.8Å; N445-L495 HydrophobicContact CB-CB 4.37Å; N445-L495 HydrophobicContact CB-CD2 4.15Å; A447-L495 HydrophobicContact CB-CD1 4.05Å; M493-L495 PolarHBondContact O-N 3.39Å
496	Y	93.6	Very high	91.2	Very high	23 Å²	23	47.1 Å²	47.1	9%	0.09	24%	0.238	C	C	.	.			trans	-118	124.2	176.3	-49.6	-66.9	0	0	0	112	V478 E494 Y498 G499 L547 V548 A549 K555	V478-Y496 HydrophobicContact CB-CE2 4.37Å; V478-Y496 HydrophobicContact CG1-CE2 4.06Å; V478-Y496 HydrophobicContact CG2-CE2 3.86Å; E494-Y496 HydrophobicContact CB-CE1 3.88Å; E494-Y496 HydrophobicContact CB-CE2 4.26Å; E494-Y496 WeakPolarHBondContact CB-OH 3.35Å; E494-Y496 WeakPolarHBondContact O-CE2 3.48Å; E494-Y496 WeakPolarHBondContact OE2-CE1 3.4Å; E494-Y496 PolarHBondContact OE2-OH 2.85Å; Y496-Y498 VanDerWaalsContact C-N 3.27Å; Y496-Y498 PolarHBondContact O-N 3.06Å; Y496-G499 PolarHBondContact O-N 3.47Å; Y496-G499 VanDerWaalsContact O-N 3.07Å; Y496-L547 HydrophobicContact CD2-CB 3.68Å; Y496-L547 HydrophobicContact CD2-CD1 3.67Å; Y496-L547 HydrophobicContact CD2-CG 4.32Å; Y496-L547 HydrophobicContact CE2-CB 4.34Å; Y496-L547 HydrophobicContact CE2-CD1 4.01Å; Y496-L547 HydrophobicContact CG-CB 4.46Å; Y496-V548 WeakPolarHBondContact CB-O 3.41Å; Y496-A549 HydrophobicContact CD1-CB 3.74Å; Y496-A549 HydrophobicContact CE1-CB 4.2Å; Y496-A549 HydrophobicContact CG-CB 4.35Å; Y496-K555 HydrophobicContact CE1-CD 3.63Å; Y496-K555 HydrophobicContact CE2-CD 4.07Å; Y496-K555 WeakPolarHBondContact OH-CD 3.34Å; Y496-K555 PolarHBondContact OH-NZ 3.3Å
497	Q	89.9	Confident	91.9	Very high	155 Å²	155	49.9 Å²	49.9	72%	0.724	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-21.6	-167	69.8	-173.7	14.9	0	0	115.5
498	Y	93	Very high	92.8	Very high	89 Å²	89	46 Å²	46	35%	0.349	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-6.4	178.3	-58.5	-76.2	0	0	0	113.1	Y496 Y504 V548 P551	Y496-Y498 VanDerWaalsContact C-N 3.27Å; Y496-Y498 PolarHBondContact O-N 3.06Å; Y498-Y504 HydrophobicContact CD1-CD2 4.22Å; Y498-Y504 AromaticContact CD1-CE2 3.83Å; Y498-Y504 HydrophobicContact CD1-CE2 3.83Å; Y498-Y504 HydrophobicContact CE1-CE2 4.47Å; Y498-Y504 HydrophobicContact CG-CD2 4.37Å; Y498-Y504 HydrophobicContact CG-CE2 4.16Å; Y498-V548 HydrophobicContact CD2-CG1 4.01Å; Y498-V548 HydrophobicContact CG-CG1 4.03Å; Y498-P551 HydrophobicContact CE2-CG 4.23Å
499	G	93	Very high	93.2	Very high	29 Å²	29	47.1 Å²	47.1	30%	0.299	23%	0.23	S	C	.	.			trans	63.3	-140.3	176.5	0	0	0	0	0	114.3	Y496 L547 V548	Y496-G499 PolarHBondContact O-N 3.47Å; Y496-G499 VanDerWaalsContact O-N 3.07Å; G499-L547 CarbonylContact O-C 3.56Å; G499-L547 VanDerWaalsContact O-CA 3.31Å; G499-L547 WeakPolarHBondContact O-CA 3.46Å; G499-V548 PolarHBondContact O-N 2.61Å
500	E	94.1	Very high	93.3	Very high	47 Å²	47	54.9 Å²	54.9	22%	0.22	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-69.4	132.1	-173.9	-171	-162	137.9	0	0	113.2	G502 K503 Y504	E500-G502 VanDerWaalsContact C-N 3.33Å; E500-G502 PolarHBondContact O-N 3.02Å; E500-K503 HydrophobicContact CB-CB 4.44Å; E500-K503 HydrophobicContact CB-CD 4.33Å; E500-K503 HydrophobicContact CB-CG 4.35Å; E500-K503 PolarHBondContact O-N 3.33Å; E500-K503 WeakPolarHBondContact OE2-CE 3.39Å; E500-K503 IonicContact OE2-NZ 2.67Å; E500-K503 PolarHBondContact OE2-NZ 2.88Å; E500-Y504 WeakPolarHBondContact O-CB 3.45Å; E500-Y504 PolarHBondContact O-N 3.1Å
501	L	97.1	Very high	93.2	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60	-40.4	178.5	177.1	61.2	0	0	0	112.2	K503 Y504 L505 F520 I524 V543 V546 V548 V554 I609	L501-K503 PolarHBondContact O-N 3.48Å; L501-Y504 HydrophobicContact CD1-CD1 4.34Å; L501-Y504 PolarHBondContact O-N 3.39Å; L501-L505 HydrophobicContact CD1-CD1 4.25Å; L501-L505 HydrophobicContact CD1-CD2 4.08Å; L501-L505 HydrophobicContact CD1-CG 3.82Å; L501-L505 HydrophobicContact CG-CD1 4.02Å; L501-L505 HydrophobicContact CG-CG 4.11Å; L501-L505 WeakPolarHBondContact O-CB 3.43Å; L501-L505 VanDerWaalsContact O-CG 3.23Å; L501-L505 WeakPolarHBondContact O-CG 3.48Å; L501-L505 PolarHBondContact O-N 2.97Å; L501-F520 HydrophobicContact CD1-CD2 3.75Å; L501-F520 HydrophobicContact CD1-CE2 3.87Å; L501-I524 HydrophobicContact CD2-CD1 4.37Å; L501-V543 HydrophobicContact CD2-CB 4.48Å; L501-V543 HydrophobicContact CD2-CG1 4.26Å; L501-V543 HydrophobicContact CG-CB 4.43Å; L501-V546 HydrophobicContact CB-CB 4.03Å; L501-V546 HydrophobicContact CB-CG1 4.02Å; L501-V546 WeakPolarHBondContact CB-O 3.34Å; L501-V546 HydrophobicContact CD2-CB 4.04Å; L501-V546 HydrophobicContact CD2-CG1 3.66Å; L501-V546 HydrophobicContact CG-CG1 4.48Å; L501-V546 PolarHBondContact N-O 2.67Å; L501-V548 HydrophobicContact CB-CG2 3.96Å; L501-V548 HydrophobicContact CD1-CG2 3.74Å; L501-V548 HydrophobicContact CG-CG2 4.46Å; L501-V554 HydrophobicContact CD1-CG1 4.13Å; L501-V554 HydrophobicContact CD2-CG1 4.27Å; L501-I609 HydrophobicContact CD2-CD1 4.05Å; L501-I609 HydrophobicContact CD2-CG1 4.03Å
502	G	94.8	Very high	93.3	Very high	9 Å²	9	62 Å²	62	9%	0.093	31%	0.305	C	S	.	.	H	α-helix	trans	-52.2	-52.1	175.6	0	0	0	0	0	112.7	E500 T506 V543	E500-G502 VanDerWaalsContact C-N 3.33Å; E500-G502 PolarHBondContact O-N 3.02Å; G502-T506 PolarHBondContact O-N 3.02Å; G502-T506 PolarHBondContact O-OG1 2.99Å; G502-V543 PolarHBondContact N-O 3.22Å
503	K	93.9	Very high	93.3	Very high	120 Å²	120	64.7 Å²	64.7	52%	0.522	32%	0.321	S	S	.	.	H	α-helix	trans	-64.2	-43.3	175.8	-65.6	178.5	177	113.1	0	112.2	E500 L501 L505 T506 Q507	E500-K503 HydrophobicContact CB-CB 4.44Å; E500-K503 HydrophobicContact CB-CD 4.33Å; E500-K503 HydrophobicContact CB-CG 4.35Å; E500-K503 PolarHBondContact O-N 3.33Å; E500-K503 WeakPolarHBondContact OE2-CE 3.39Å; E500-K503 IonicContact OE2-NZ 2.67Å; E500-K503 PolarHBondContact OE2-NZ 2.88Å; L501-K503 PolarHBondContact O-N 3.48Å; K503-L505 PolarHBondContact O-N 3.16Å; K503-T506 PolarHBondContact O-N 3.38Å; K503-Q507 WeakPolarHBondContact O-CB 3.33Å; K503-Q507 VanDerWaalsContact O-CG 3.27Å; K503-Q507 WeakPolarHBondContact O-CG 3.26Å; K503-Q507 PolarHBondContact O-N 2.73Å
504	Y	96.8	Very high	93.3	Very high	20 Å²	20	65.5 Å²	65.5	8%	0.078	33%	0.326	C	S	.	.	H	α-helix	trans	-62.8	-39.3	-179.2	-179.8	-99.8	0	0	0	113	Y498 E500 L501 N508 L512 F520 V548	Y498-Y504 HydrophobicContact CD1-CD2 4.22Å; Y498-Y504 AromaticContact CD1-CE2 3.83Å; Y498-Y504 HydrophobicContact CD1-CE2 3.83Å; Y498-Y504 HydrophobicContact CE1-CE2 4.47Å; Y498-Y504 HydrophobicContact CG-CD2 4.37Å; Y498-Y504 HydrophobicContact CG-CE2 4.16Å; E500-Y504 WeakPolarHBondContact O-CB 3.45Å; E500-Y504 PolarHBondContact O-N 3.1Å; L501-Y504 HydrophobicContact CD1-CD1 4.34Å; L501-Y504 PolarHBondContact O-N 3.39Å; Y504-N508 WeakPolarHBondContact CD2-ND2 3.31Å; Y504-N508 WeakPolarHBondContact O-CB 3.46Å; Y504-N508 PolarHBondContact O-N 2.9Å; Y504-N508 VanDerWaalsContact O-N 3.15Å; Y504-N508 PolarHBondContact O-ND2 3.46Å; Y504-L512 HydrophobicContact CE1-CD2 4.03Å; Y504-F520 HydrophobicContact CD1-CE2 4.5Å; Y504-F520 HydrophobicContact CE1-CE2 4.22Å; Y504-F520 HydrophobicContact CE1-CZ 4.11Å; Y504-V548 HydrophobicContact CD1-CG1 4.15Å; Y504-V548 HydrophobicContact CD1-CG2 3.84Å; Y504-V548 HydrophobicContact CD2-CG1 4.28Å; Y504-V548 HydrophobicContact CE1-CG1 4.11Å; Y504-V548 HydrophobicContact CE2-CG1 4.26Å; Y504-V548 HydrophobicContact CG-CB 4.41Å; Y504-V548 HydrophobicContact CG-CG1 4.23Å; Y504-V548 HydrophobicContact CG-CG2 3.88Å
505	L	96.4	Very high	93.5	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-58.8	-55.5	174.8	-71.4	168.9	0	0	0	110.7	L501 K503 Q507 N508 Q509 L512 L517 V543 I609	L501-L505 HydrophobicContact CD1-CD1 4.25Å; L501-L505 HydrophobicContact CD1-CD2 4.08Å; L501-L505 HydrophobicContact CD1-CG 3.82Å; L501-L505 HydrophobicContact CG-CD1 4.02Å; L501-L505 HydrophobicContact CG-CG 4.11Å; L501-L505 WeakPolarHBondContact O-CB 3.43Å; L501-L505 VanDerWaalsContact O-CG 3.23Å; L501-L505 WeakPolarHBondContact O-CG 3.48Å; L501-L505 PolarHBondContact O-N 2.97Å; K503-L505 PolarHBondContact O-N 3.16Å; L505-Q507 VanDerWaalsContact C-N 3.32Å; L505-Q507 PolarHBondContact O-N 3.01Å; L505-N508 PolarHBondContact O-N 3.25Å; L505-Q509 WeakPolarHBondContact O-CG 3.39Å; L505-Q509 PolarHBondContact O-N 2.96Å; L505-Q509 VanDerWaalsContact O-N 3.14Å; L505-L512 HydrophobicContact CD2-CD1 3.92Å; L505-L517 HydrophobicContact CD2-CD2 3.49Å; L505-L517 VanDerWaalsContact CD2-CD2 3.49Å; L505-V543 HydrophobicContact CD1-CG1 4.29Å; L505-I609 HydrophobicContact CD1-CG1 4.37Å
506	T	93.6	Very high	93.6	Very high	77 Å²	77	62.3 Å²	62.3	47%	0.472	31%	0.313	S	S	.	.	H	α-helix	trans	-62.3	-37.2	-178.7	-50.6	0	0	0	0	112.4	G502 K503 N508 Q612	G502-T506 PolarHBondContact O-N 3.02Å; G502-T506 PolarHBondContact O-OG1 2.99Å; K503-T506 PolarHBondContact O-N 3.38Å; T506-N508 VanDerWaalsContact C-N 3.33Å; T506-N508 PolarHBondContact O-N 2.71Å; T506-Q612 PolarHBondContact OG1-O 2.94Å
507	Q	94.4	Very high	93.8	Very high	145 Å²	145	61.5 Å²	61.5	68%	0.678	31%	0.31	S	S	*	.	H	α-helix	trans	-74.3	-18.3	178.3	-70.9	174.4	2.2	0	0	114.4	K503 L505	K503-Q507 WeakPolarHBondContact O-CB 3.33Å; K503-Q507 VanDerWaalsContact O-CG 3.27Å; K503-Q507 WeakPolarHBondContact O-CG 3.26Å; K503-Q507 PolarHBondContact O-N 2.73Å; L505-Q507 VanDerWaalsContact C-N 3.32Å; L505-Q507 PolarHBondContact O-N 3.01Å
508	N	94.3	Very high	94.2	Very high	20 Å²	20	54.1 Å²	54.1	11%	0.107	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	20.5	-173.4	-64.1	-82.6	0	0	0	114.1	Y504 L505 T506 N510 K511 L512	Y504-N508 WeakPolarHBondContact CD2-ND2 3.31Å; Y504-N508 WeakPolarHBondContact O-CB 3.46Å; Y504-N508 PolarHBondContact O-N 2.9Å; Y504-N508 VanDerWaalsContact O-N 3.15Å; Y504-N508 PolarHBondContact O-ND2 3.46Å; L505-N508 PolarHBondContact O-N 3.25Å; T506-N508 VanDerWaalsContact C-N 3.33Å; T506-N508 PolarHBondContact O-N 2.71Å; N508-N510 PolarHBondContact O-N 3.28Å; N508-N510 VanDerWaalsContact O-N 3.07Å; N508-K511 PolarHBondContact O-N 3.07Å; N508-K511 PolarHBondContact OD1-NZ 3.39Å; N508-L512 HydrophobicContact CB-CD1 4.02Å; N508-L512 HydrophobicContact CB-CG 4.1Å; N508-L512 WeakPolarHBondContact O-CG 3.44Å; N508-L512 PolarHBondContact O-N 2.78Å; N508-L512 VanDerWaalsContact O-N 3.16Å
509	Q	88.9	Confident	94.5	Very high	85 Å²	85	51.4 Å²	51.4	40%	0.397	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.6	-43.2	-179.6	-68.8	-179.7	-20.5	0	0	113.7	L505 K511 Q612	L505-Q509 WeakPolarHBondContact O-CG 3.39Å; L505-Q509 PolarHBondContact O-N 2.96Å; L505-Q509 VanDerWaalsContact O-N 3.14Å; Q509-K511 VanDerWaalsContact C-N 3.3Å; Q509-K511 PolarHBondContact O-N 3.27Å; Q509-Q612 HydrophobicContact CG-CB 4.01Å; Q509-Q612 PolarHBondContact O-NE2 3.48Å
510	N	87.1	Confident	94.8	Very high	171 Å²	171	50 Å²	50	91%	0.914	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-6	-179.6	-65.4	-32.7	0	0	0	115.3	N508	N508-N510 PolarHBondContact O-N 3.28Å; N508-N510 VanDerWaalsContact O-N 3.07Å
511	K	90.5	Very high	95	Very high	161 Å²	161	47.8 Å²	47.8	70%	0.7	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.5	-21.4	-178.8	-56.9	178.2	-164.6	154.4	0	113.3	N508 Q509	N508-K511 PolarHBondContact O-N 3.07Å; N508-K511 PolarHBondContact OD1-NZ 3.39Å; Q509-K511 VanDerWaalsContact C-N 3.3Å; Q509-K511 PolarHBondContact O-N 3.27Å
512	L	93.2	Very high	95	Very high	21 Å²	21	48 Å²	48	11%	0.11	24%	0.243	C	C	.	.			trans	-85	126.1	-173.5	-68.6	167.1	0	0	0	110.8	Y504 L505 N508 T516 L517 F520	Y504-L512 HydrophobicContact CE1-CD2 4.03Å; L505-L512 HydrophobicContact CD2-CD1 3.92Å; N508-L512 HydrophobicContact CB-CD1 4.02Å; N508-L512 HydrophobicContact CB-CG 4.1Å; N508-L512 WeakPolarHBondContact O-CG 3.44Å; N508-L512 PolarHBondContact O-N 2.78Å; N508-L512 VanDerWaalsContact O-N 3.16Å; L512-T516 HydrophobicContact CD2-CG2 3.84Å; L512-L517 HydrophobicContact CB-CD2 4.27Å; L512-L517 HydrophobicContact CD1-CD2 4.33Å; L512-F520 HydrophobicContact CD2-CE2 4.29Å
513	T	94	Very high	95.2	Very high	57 Å²	57	48.3 Å²	48.3	35%	0.35	24%	0.242	S	C	.	.			trans	-95.6	160.2	174.8	68.6	0	0	0	0	111.2	T515 T516 L517	T513-T515 PolarHBondContact O-N 2.97Å; T513-T516 PolarHBondContact O-N 3.44Å; T513-T516 PolarHBondContact OG1-N 3.13Å; T513-T516 PolarHBondContact OG1-OG1 3.01Å; T513-L517 WeakPolarHBondContact O-CG 3.45Å; T513-L517 PolarHBondContact O-N 3.41Å; T513-L517 VanDerWaalsContact O-N 3.08Å
514	N	94	Very high	95.4	Very high	35 Å²	35	42.6 Å²	42.6	19%	0.187	22%	0.217	C	C	.	.	H	α-helix	trans	-47.9	-45.5	170.6	-85.7	4.8	0	0	0	111.9	T516 L517 V518 N640 E677	N514-T516 VanDerWaalsContact C-N 3.26Å; N514-T516 PolarHBondContact O-N 3.13Å; N514-L517 PolarHBondContact O-N 3.08Å; N514-L517 VanDerWaalsContact O-N 3.12Å; N514-V518 WeakPolarHBondContact O-CB 3.35Å; N514-V518 VanDerWaalsContact O-CG2 3.26Å; N514-V518 WeakPolarHBondContact O-CG2 3.46Å; N514-V518 PolarHBondContact O-N 3.21Å; N514-N640 PolarHBondContact ND2-O 2.85Å; N514-N640 PolarHBondContact OD1-O 2.89Å; N514-E677 HydrophobicContact CB-CG 4.43Å; N514-E677 VanDerWaalsContact CB-OE2 3.22Å; N514-E677 WeakPolarHBondContact CB-OE2 3.4Å; N514-E677 PolarHBondContact ND2-OE2 3.47Å
515	T	96.6	Very high	95.5	Very high	13 Å²	13	41.7 Å²	41.7	8%	0.08	21%	0.214	C	C	.	.	H	α-helix	trans	-53.2	-40.3	176.1	-63.5	0	0	0	0	113.1	T513 L519 H674 E677 K678 D681	T513-T515 PolarHBondContact O-N 2.97Å; T515-L519 VanDerWaalsContact O-CB 3.26Å; T515-L519 WeakPolarHBondContact O-CB 3.38Å; T515-L519 PolarHBondContact O-N 3.33Å; T515-H674 PolarHBondContact O-CE1 3.4Å; T515-H674 VanDerWaalsContact O-CE1 3.23Å; T515-H674 PolarHBondContact O-ND1 3.1Å; T515-E677 PolarHBondContact OG1-O 3.4Å; T515-K678 HydrophobicContact CG2-CD 4.35Å; T515-K678 HydrophobicContact CG2-CG 3.48Å; T515-K678 VanDerWaalsContact CG2-CG 3.48Å; T515-D681 WeakPolarHBondContact CB-OD2 3.37Å; T515-D681 PolarHBondContact OG1-OD2 2.89Å
516	T	96.9	Very high	95.6	Very high	32 Å²	32	45.8 Å²	45.8	20%	0.196	23%	0.231	C	C	.	.	H	α-helix	trans	-73.3	-40.7	177.3	-53.9	0	0	0	0	111.8	L512 T513 N514 L519 F520	L512-T516 HydrophobicContact CD2-CG2 3.84Å; T513-T516 PolarHBondContact O-N 3.44Å; T513-T516 PolarHBondContact OG1-N 3.13Å; T513-T516 PolarHBondContact OG1-OG1 3.01Å; N514-T516 VanDerWaalsContact C-N 3.26Å; N514-T516 PolarHBondContact O-N 3.13Å; T516-L519 WeakPolarHBondContact O-CB 3.42Å; T516-L519 PolarHBondContact O-N 3.1Å; T516-F520 HydrophobicContact CG2-CD1 4.5Å; T516-F520 HydrophobicContact CG2-CD2 4.47Å; T516-F520 HydrophobicContact CG2-CE1 3.85Å; T516-F520 HydrophobicContact CG2-CE2 3.82Å; T516-F520 HydrophobicContact CG2-CZ 3.47Å; T516-F520 VanDerWaalsContact CG2-CZ 3.47Å; T516-F520 WeakPolarHBondContact O-CG 3.41Å; T516-F520 PolarHBondContact O-N 3.25Å
517	L	98	Very high	95.8	Very high	6 Å²	6	42.1 Å²	42.1	3%	0.031	21%	0.209	C	C	.	.	H	α-helix	trans	-66.4	-39.5	178	-60.2	179.5	0	0	0	112.2	L505 L512 T513 N514 S521 I609 M610 Q612	L505-L517 HydrophobicContact CD2-CD2 3.49Å; L505-L517 VanDerWaalsContact CD2-CD2 3.49Å; L512-L517 HydrophobicContact CB-CD2 4.27Å; L512-L517 HydrophobicContact CD1-CD2 4.33Å; T513-L517 WeakPolarHBondContact O-CG 3.45Å; T513-L517 PolarHBondContact O-N 3.41Å; T513-L517 VanDerWaalsContact O-N 3.08Å; N514-L517 PolarHBondContact O-N 3.08Å; N514-L517 VanDerWaalsContact O-N 3.12Å; L517-S521 PolarHBondContact O-N 3.35Å; L517-S521 VanDerWaalsContact O-N 3.14Å; L517-S521 PolarHBondContact O-OG 3Å; L517-I609 HydrophobicContact CB-CG2 3.88Å; L517-I609 HydrophobicContact CD2-CG2 3.97Å; L517-I609 HydrophobicContact CG-CG2 4.49Å; L517-I609 WeakPolarHBondContact O-CG2 3.4Å; L517-M610 HydrophobicContact CB-CE 4.11Å; L517-M610 HydrophobicContact CB-SD 3.5Å; L517-M610 WeakPolarHBondContact CB-SD 3.37Å; L517-M610 HydrophobicContact CD1-CE 4.07Å; L517-M610 HydrophobicContact CD1-SD 4.28Å; L517-Q612 HydrophobicContact CD1-CG 4.48Å
518	V	98.2	Very high	95.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-69.4	-35.8	172.5	-178.2	0	0	0	0	111	N514 S521 L522 M610 P642 L645 I670 V673 H674 E677	N514-V518 WeakPolarHBondContact O-CB 3.35Å; N514-V518 VanDerWaalsContact O-CG2 3.26Å; N514-V518 WeakPolarHBondContact O-CG2 3.46Å; N514-V518 PolarHBondContact O-N 3.21Å; V518-S521 WeakPolarHBondContact O-CB 3.19Å; V518-S521 PolarHBondContact O-N 3.18Å; V518-L522 WeakPolarHBondContact O-CB 3.44Å; V518-L522 PolarHBondContact O-N 3.38Å; V518-M610 HydrophobicContact CG2-SD 4.49Å; V518-P642 HydrophobicContact CG2-CG 4.25Å; V518-L645 HydrophobicContact CG2-CD2 4.26Å; V518-I670 HydrophobicContact CG1-CG2 4.13Å; V518-V673 HydrophobicContact CG1-CG1 4.2Å; V518-V673 HydrophobicContact CG2-CG1 4.44Å; V518-H674 HydrophobicContact CG1-CB 3.77Å; V518-E677 HydrophobicContact CG2-CG 4.36Å
519	L	98.4	Very high	95.9	Very high	32 Å²	32	36.7 Å²	36.7	17%	0.168	19%	0.186	C	C	.	.	H	α-helix	trans	-60.6	-47.9	173.3	179.2	56.8	0	0	0	111.9	T515 T516 S521 L522 Q523 D552	T515-L519 VanDerWaalsContact O-CB 3.26Å; T515-L519 WeakPolarHBondContact O-CB 3.38Å; T515-L519 PolarHBondContact O-N 3.33Å; T516-L519 WeakPolarHBondContact O-CB 3.42Å; T516-L519 PolarHBondContact O-N 3.1Å; L519-S521 VanDerWaalsContact C-N 3.32Å; L519-S521 PolarHBondContact O-N 2.97Å; L519-L522 WeakPolarHBondContact O-CB 3.29Å; L519-L522 PolarHBondContact O-N 3.39Å; L519-L522 VanDerWaalsContact O-N 3.17Å; L519-Q523 HydrophobicContact CD1-CG 4.06Å; L519-Q523 HydrophobicContact CG-CG 4.42Å; L519-Q523 VanDerWaalsContact O-CG 3.27Å; L519-Q523 WeakPolarHBondContact O-CG 3.41Å; L519-Q523 PolarHBondContact O-N 3.38Å; L519-D552 HydrophobicContact CD2-CB 4.3Å; L519-D552 WeakPolarHBondContact CD2-O 3.28Å
520	F	98.6	Very high	96.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.3	-44	177.1	-62.4	-20.7	0	0	0	111.3	L501 Y504 L512 T516 L522 Q523 I524 P551 V554 I609	L501-F520 HydrophobicContact CD1-CD2 3.75Å; L501-F520 HydrophobicContact CD1-CE2 3.87Å; Y504-F520 HydrophobicContact CD1-CE2 4.5Å; Y504-F520 HydrophobicContact CE1-CE2 4.22Å; Y504-F520 HydrophobicContact CE1-CZ 4.11Å; L512-F520 HydrophobicContact CD2-CE2 4.29Å; T516-F520 HydrophobicContact CG2-CD1 4.5Å; T516-F520 HydrophobicContact CG2-CD2 4.47Å; T516-F520 HydrophobicContact CG2-CE1 3.85Å; T516-F520 HydrophobicContact CG2-CE2 3.82Å; T516-F520 HydrophobicContact CG2-CZ 3.47Å; T516-F520 VanDerWaalsContact CG2-CZ 3.47Å; T516-F520 WeakPolarHBondContact O-CG 3.41Å; T516-F520 PolarHBondContact O-N 3.25Å; F520-L522 VanDerWaalsContact C-N 3.32Å; F520-L522 PolarHBondContact O-N 3.25Å; F520-Q523 PolarHBondContact O-N 3.34Å; F520-I524 WeakPolarHBondContact O-CD1 3.28Å; F520-I524 WeakPolarHBondContact O-CG1 3.46Å; F520-I524 PolarHBondContact O-N 3.2Å; F520-P551 WeakPolarHBondContact CZ-O 3.44Å; F520-V554 HydrophobicContact CB-CG1 4.27Å; F520-V554 HydrophobicContact CB-CG2 3.96Å; F520-V554 HydrophobicContact CD1-CB 4.42Å; F520-V554 HydrophobicContact CD1-CG1 3.57Å; F520-V554 HydrophobicContact CD1-CG2 4.1Å; F520-V554 HydrophobicContact CD2-CG1 4.29Å; F520-V554 HydrophobicContact CE1-CG1 3.87Å; F520-V554 HydrophobicContact CG-CG1 3.8Å; F520-V554 HydrophobicContact CG-CG2 4.28Å; F520-V554 HydrophobicContact CZ-CG1 4.34Å; F520-I609 HydrophobicContact CB-CD1 4.43Å
521	S	98.6	Very high	96.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-57.2	-43.3	174.1	-57.7	0	0	0	0	112.2	L517 V518 L519 C525 F602	L517-S521 PolarHBondContact O-N 3.35Å; L517-S521 VanDerWaalsContact O-N 3.14Å; L517-S521 PolarHBondContact O-OG 3Å; V518-S521 WeakPolarHBondContact O-CB 3.19Å; V518-S521 PolarHBondContact O-N 3.18Å; L519-S521 VanDerWaalsContact C-N 3.32Å; L519-S521 PolarHBondContact O-N 2.97Å; S521-C525 WeakPolarHBondContact O-CB 3.42Å; S521-C525 PolarHBondContact O-N 3.08Å; S521-F602 WeakPolarHBondContact O-CZ 3.43Å
522	L	98.6	Very high	95.8	Very high	5 Å²	5	21.4 Å²	21.4	3%	0.026	12%	0.118	C	C	.	.	H	α-helix	trans	-66.6	-38.9	177.2	-177.9	58	0	0	0	112.9	V518 L519 F520 C525 K526 V667 I670 H674	V518-L522 WeakPolarHBondContact O-CB 3.44Å; V518-L522 PolarHBondContact O-N 3.38Å; L519-L522 WeakPolarHBondContact O-CB 3.29Å; L519-L522 PolarHBondContact O-N 3.39Å; L519-L522 VanDerWaalsContact O-N 3.17Å; F520-L522 VanDerWaalsContact C-N 3.32Å; F520-L522 PolarHBondContact O-N 3.25Å; L522-C525 PolarHBondContact O-N 3.36Å; L522-K526 WeakPolarHBondContact O-CG 3.38Å; L522-K526 PolarHBondContact O-N 3.23Å; L522-V667 HydrophobicContact CD1-CG1 4.24Å; L522-V667 WeakPolarHBondContact CD1-O 3.32Å; L522-I670 HydrophobicContact CB-CG2 3.85Å; L522-I670 HydrophobicContact CD1-CB 4.2Å; L522-I670 HydrophobicContact CD1-CG2 4.14Å; L522-H674 HydrophobicContact CD2-CB 4.22Å
523	Q	98.6	Very high	95.1	Very high	14 Å²	14	23.6 Å²	23.6	7%	0.065	15%	0.146	C	C	.	.	H	α-helix	trans	-67.9	-44.2	-179.9	-73.3	175.6	-15.4	0	0	111.7	H476 L519 F520 K526 A527 D552 V554	H476-Q523 HydrophobicContact CB-CB 4.43Å; H476-Q523 WeakPolarHBondContact CB-O 3.46Å; H476-Q523 VanDerWaalsContact CE1-CG 3.42Å; H476-Q523 WeakPolarHBondContact CE1-CG 3.37Å; L519-Q523 HydrophobicContact CD1-CG 4.06Å; L519-Q523 HydrophobicContact CG-CG 4.42Å; L519-Q523 VanDerWaalsContact O-CG 3.27Å; L519-Q523 WeakPolarHBondContact O-CG 3.41Å; L519-Q523 PolarHBondContact O-N 3.38Å; F520-Q523 PolarHBondContact O-N 3.34Å; Q523-K526 PolarHBondContact O-N 2.95Å; Q523-A527 PolarHBondContact O-N 2.88Å; Q523-A527 VanDerWaalsContact O-N 3.17Å; Q523-D552 PolarHBondContact NE2-O 2.83Å; Q523-V554 HydrophobicContact CB-CG2 3.87Å
524	I	98.6	Very high	94.5	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-62.2	-44.7	172.2	-61.9	159.3	0	0	0	110	L501 F520 K526 A527 L528 V546 V554 F602 I609	L501-I524 HydrophobicContact CD2-CD1 4.37Å; F520-I524 WeakPolarHBondContact O-CD1 3.28Å; F520-I524 WeakPolarHBondContact O-CG1 3.46Å; F520-I524 PolarHBondContact O-N 3.2Å; I524-K526 VanDerWaalsContact C-N 3.27Å; I524-K526 PolarHBondContact O-N 3.43Å; I524-A527 WeakPolarHBondContact O-CB 3.47Å; I524-A527 PolarHBondContact O-N 3.27Å; I524-A527 VanDerWaalsContact O-N 3.08Å; I524-L528 HydrophobicContact CG2-CD1 3.92Å; I524-L528 HydrophobicContact CG2-CG 4.41Å; I524-L528 WeakPolarHBondContact O-CG 3.36Å; I524-L528 PolarHBondContact O-N 2.9Å; I524-V546 HydrophobicContact CD1-CG1 4.1Å; I524-V546 HydrophobicContact CD1-CG2 4Å; I524-V546 HydrophobicContact CG1-CG1 4.22Å; I524-V546 HydrophobicContact CG1-CG2 4.24Å; I524-V554 HydrophobicContact CD1-CG2 4.38Å; I524-V554 HydrophobicContact CG1-CG2 3.99Å; I524-F602 HydrophobicContact CB-CE2 4.1Å; I524-F602 HydrophobicContact CG2-CD2 3.82Å; I524-F602 HydrophobicContact CG2-CE2 3.83Å; I524-I609 HydrophobicContact CD1-CD1 3.56Å
525	C	98.5	Very high	93.7	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.7	-35.8	178.4	-158.4	0	0	0	0	112.9	S521 L522 L528 V529 F602 V667 I670	S521-C525 WeakPolarHBondContact O-CB 3.42Å; S521-C525 PolarHBondContact O-N 3.08Å; L522-C525 PolarHBondContact O-N 3.36Å; C525-L528 PolarHBondContact O-N 3.12Å; C525-V529 PolarHBondContact O-N 3.48Å; C525-F602 HydrophobicContact CB-CE1 4.01Å; C525-F602 HydrophobicContact CB-CE2 4.09Å; C525-F602 HydrophobicContact CB-CZ 3.49Å; C525-F602 VanDerWaalsContact CB-CZ 3.49Å; C525-V667 HydrophobicContact CB-CG2 3.84Å; C525-V667 WeakPolarHBondContact O-CG2 3.42Å; C525-V667 WeakPolarHBondContact SG-CG2 3.32Å; C525-I670 HydrophobicContact CB-CD1 4.18Å
526	K	97.8	Very high	93	Very high	86 Å²	86	25.6 Å²	25.6	37%	0.374	16%	0.156	S	C	.	.	H	α-helix	trans	-66.4	-42.1	173.9	-74.1	172.1	178.8	-177.4	0	112.3	L522 Q523 I524 L528 V529 Y530 V667	L522-K526 WeakPolarHBondContact O-CG 3.38Å; L522-K526 PolarHBondContact O-N 3.23Å; Q523-K526 PolarHBondContact O-N 2.95Å; I524-K526 VanDerWaalsContact C-N 3.27Å; I524-K526 PolarHBondContact O-N 3.43Å; K526-L528 VanDerWaalsContact C-N 3.27Å; K526-L528 PolarHBondContact O-N 3.1Å; K526-V529 PolarHBondContact O-N 3.24Å; K526-Y530 PolarHBondContact O-N 3.14Å; K526-Y530 VanDerWaalsContact O-N 3.09Å; K526-V667 HydrophobicContact CG-CG1 4.08Å; K526-V667 HydrophobicContact CG-CG2 4.19Å
527	A	97.2	Very high	92.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59	-41.5	173.6	0	0	0	0	0	111.2	H474 H476 I477 Q523 I524 Y530 L531 L556	H474-A527 VanDerWaalsContact CE1-CA 3.44Å; H474-A527 WeakPolarHBondContact CE1-CA 3.49Å; H474-A527 PolarHBondContact CE1-N 3.39Å; H476-A527 HydrophobicContact CB-CB 4.21Å; H476-A527 WeakPolarHBondContact O-CB 3.32Å; I477-A527 HydrophobicContact CD1-CB 4.33Å; I477-A527 HydrophobicContact CG1-CB 3.87Å; Q523-A527 PolarHBondContact O-N 2.88Å; Q523-A527 VanDerWaalsContact O-N 3.17Å; I524-A527 WeakPolarHBondContact O-CB 3.47Å; I524-A527 PolarHBondContact O-N 3.27Å; I524-A527 VanDerWaalsContact O-N 3.08Å; A527-Y530 WeakPolarHBondContact O-CB 3.19Å; A527-Y530 PolarHBondContact O-N 2.98Å; A527-Y530 VanDerWaalsContact O-N 3.16Å; A527-L531 WeakPolarHBondContact O-CG 3.47Å; A527-L531 PolarHBondContact O-N 2.75Å; A527-L556 HydrophobicContact CB-CB 4.24Å; A527-L556 HydrophobicContact CB-CD2 4.11Å
528	L	97	Very high	92.3	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-71.1	-30.4	179.3	-63.8	171.3	0	0	0	113.7	I524 C525 K526 L531 G532 I541 L556 F602 F663	I524-L528 HydrophobicContact CG2-CD1 3.92Å; I524-L528 HydrophobicContact CG2-CG 4.41Å; I524-L528 WeakPolarHBondContact O-CG 3.36Å; I524-L528 PolarHBondContact O-N 2.9Å; C525-L528 PolarHBondContact O-N 3.12Å; K526-L528 VanDerWaalsContact C-N 3.27Å; K526-L528 PolarHBondContact O-N 3.1Å; L528-L531 HydrophobicContact CD2-CD1 4.18Å; L528-G532 PolarHBondContact O-N 3.21Å; L528-I541 HydrophobicContact CD1-CD1 3.91Å; L528-I541 HydrophobicContact CD1-CG2 4.28Å; L528-I541 HydrophobicContact CD2-CD1 3.51Å; L528-I541 HydrophobicContact CD2-CG1 4.1Å; L528-I541 HydrophobicContact CG-CD1 4.38Å; L528-L556 HydrophobicContact CD2-CD2 3.64Å; L528-L556 HydrophobicContact CG-CD2 4.09Å; L528-F602 HydrophobicContact CD1-CB 3.73Å; L528-F602 HydrophobicContact CD1-CD2 3.5Å; L528-F602 HydrophobicContact CD1-CE2 4.31Å; L528-F602 HydrophobicContact CD1-CG 3.66Å; L528-F663 HydrophobicContact CB-CD1 3.79Å; L528-F663 HydrophobicContact CB-CD2 4.07Å; L528-F663 HydrophobicContact CB-CE1 3.71Å; L528-F663 HydrophobicContact CB-CE2 3.99Å; L528-F663 HydrophobicContact CB-CG 3.98Å; L528-F663 HydrophobicContact CB-CZ 3.8Å; L528-F663 HydrophobicContact CD1-CD1 4.3Å; L528-F663 HydrophobicContact CD1-CE1 3.53Å; L528-F663 HydrophobicContact CD1-CZ 3.76Å; L528-F663 HydrophobicContact CD2-CZ 4.46Å; L528-F663 HydrophobicContact CG-CE1 4.21Å; L528-F663 HydrophobicContact CG-CZ 4.21Å
529	V	94.9	Very high	92	Very high	50 Å²	50	24.6 Å²	24.6	30%	0.303	15%	0.149	S	C	.	.	H	α-helix	trans	-62.3	-44.1	166.2	169.1	0	0	0	0	111	C525 K526 G532 G533 F663 V667	C525-V529 PolarHBondContact O-N 3.48Å; K526-V529 PolarHBondContact O-N 3.24Å; V529-G532 PolarHBondContact O-N 3.14Å; V529-G533 PolarHBondContact O-N 3.03Å; V529-F663 VanDerWaalsContact CG2-C 3.44Å; V529-F663 HydrophobicContact CG2-CB 3.61Å; V529-F663 WeakPolarHBondContact CG2-O 3.4Å; V529-V667 HydrophobicContact CB-CG2 4.45Å; V529-V667 HydrophobicContact CG2-CB 4.35Å; V529-V667 HydrophobicContact CG2-CG2 3.46Å; V529-V667 VanDerWaalsContact CG2-CG2 3.46Å
530	Y	93.3	Very high	91.6	Very high	64 Å²	64	23.7 Å²	23.7	25%	0.251	14%	0.144	S	C	.	.	H	α-helix	trans	-63.3	-45.7	177.1	173.8	-96.2	0	0	0	111.7	L472 D473 H474 I477 K526 A527 G532 G533 C534	L472-Y530 HydrophobicContact CB-CE1 4.37Å; L472-Y530 HydrophobicContact CD2-CE1 4.14Å; D473-Y530 PolarHBondContact N-OH 3.43Å; H474-Y530 HydrophobicContact CB-CD1 3.77Å; H474-Y530 HydrophobicContact CB-CD2 4.37Å; H474-Y530 HydrophobicContact CB-CE1 3.96Å; H474-Y530 HydrophobicContact CB-CG 3.99Å; I477-Y530 HydrophobicContact CD1-CD1 3.62Å; I477-Y530 HydrophobicContact CD1-CE1 3.99Å; K526-Y530 PolarHBondContact O-N 3.14Å; K526-Y530 VanDerWaalsContact O-N 3.09Å; A527-Y530 WeakPolarHBondContact O-CB 3.19Å; A527-Y530 PolarHBondContact O-N 2.98Å; A527-Y530 VanDerWaalsContact O-N 3.16Å; Y530-G532 VanDerWaalsContact C-N 3.33Å; Y530-G532 PolarHBondContact O-N 3.43Å; Y530-G533 PolarHBondContact O-N 3.03Å; Y530-G533 VanDerWaalsContact O-N 3.1Å; Y530-C534 PolarHBondContact O-N 3.34Å; Y530-C534 VanDerWaalsContact O-N 3.14Å; Y530-C534 PolarHBondContact O-SG 2.96Å
531	L	88.4	Confident	91.6	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-58.8	-42.8	174.9	-62.4	-162.5	0	0	0	112.5	L472 I477 A527 L528 G533 C534 N535 M536 H538 L556 F559	L472-L531 HydrophobicContact CD2-CD2 4.25Å; I477-L531 HydrophobicContact CD1-CD2 3.55Å; I477-L531 HydrophobicContact CD1-CG 4.35Å; A527-L531 WeakPolarHBondContact O-CG 3.47Å; A527-L531 PolarHBondContact O-N 2.75Å; L528-L531 HydrophobicContact CD2-CD1 4.18Å; L531-G533 VanDerWaalsContact C-N 3.3Å; L531-G533 PolarHBondContact O-N 3.22Å; L531-C534 CarbonylContact O-C 3.58Å; L531-C534 WeakPolarHBondContact O-CA 3.29Å; L531-C534 PolarHBondContact O-N 2.82Å; L531-N535 PolarHBondContact O-N 3.37Å; L531-M536 HydrophobicContact CD1-CE 4.25Å; L531-M536 HydrophobicContact CD2-CE 3.54Å; L531-M536 HydrophobicContact CG-CE 4.38Å; L531-M536 PolarHBondContact O-N 3Å; L531-H538 HydrophobicContact CD1-CB 4.07Å; L531-L556 HydrophobicContact CD1-CD2 4.4Å; L531-F559 HydrophobicContact CD1-CE1 4.03Å; L531-F559 HydrophobicContact CD2-CE1 4.15Å
532	G	81.5	Confident	91.5	Very high	31 Å²	31	23.7 Å²	23.7	32%	0.32	14%	0.144	S	C	.	.	H	α-helix	trans	-62.7	-33.9	175.7	0	0	0	0	0	113.4	L528 V529 Y530 C534 N535	L528-G532 PolarHBondContact O-N 3.21Å; V529-G532 PolarHBondContact O-N 3.14Å; Y530-G532 VanDerWaalsContact C-N 3.33Å; Y530-G532 PolarHBondContact O-N 3.43Å; G532-C534 VanDerWaalsContact C-N 3.27Å; G532-C534 PolarHBondContact O-N 3Å; G532-N535 PolarHBondContact O-N 3.28Å
533	G	79.1	Confident	91.4	Very high	67 Å²	67	23.8 Å²	23.8	69%	0.691	15%	0.145	S	C	*	.	H	α-helix	trans	-70.9	-19.5	171.9	0	0	0	0	0	114.2	V529 Y530 L531	V529-G533 PolarHBondContact O-N 3.03Å; Y530-G533 PolarHBondContact O-N 3.03Å; Y530-G533 VanDerWaalsContact O-N 3.1Å; L531-G533 VanDerWaalsContact C-N 3.3Å; L531-G533 PolarHBondContact O-N 3.22Å
534	C	81	Confident	91.2	Very high	43 Å²	43	26.9 Å²	26.9	29%	0.291	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	13.7	172.2	-61.6	0	0	0	0	113.1	Y530 L531 G532 M536 Y564	Y530-C534 PolarHBondContact O-N 3.34Å; Y530-C534 VanDerWaalsContact O-N 3.14Å; Y530-C534 PolarHBondContact O-SG 2.96Å; L531-C534 CarbonylContact O-C 3.58Å; L531-C534 WeakPolarHBondContact O-CA 3.29Å; L531-C534 PolarHBondContact O-N 2.82Å; G532-C534 VanDerWaalsContact C-N 3.27Å; G532-C534 PolarHBondContact O-N 3Å; C534-M536 PolarHBondContact O-N 2.83Å; C534-M536 VanDerWaalsContact O-N 3.12Å; C534-Y564 WeakPolarHBondContact O-CD1 3.4Å
535	N	78.7	Confident	91	Very high	101 Å²	101	27.5 Å²	27.5	54%	0.54	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	30.6	-171.6	-73.8	7	0	0	0	114.1	L531 G532 Y564 I565	L531-N535 PolarHBondContact O-N 3.37Å; G532-N535 PolarHBondContact O-N 3.28Å; N535-Y564 CarbonylContact O-C 3.6Å; N535-I565 PolarHBondContact O-N 3.41Å
536	M	81.7	Confident	90.9	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.015	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	137.5	-179.1	-175.9	161.6	65	0	0	112.5	I468 L472 L531 C534 F559 R563 Y564	I468-M536 HydrophobicContact CD1-SD 4.42Å; I468-M536 HydrophobicContact CG1-SD 4.4Å; I468-M536 HydrophobicContact CG2-CE 3.75Å; I468-M536 HydrophobicContact CG2-SD 3.4Å; I468-M536 WeakPolarHBondContact CG2-SD 3.31Å; L472-M536 HydrophobicContact CD1-CE 3.86Å; L472-M536 HydrophobicContact CD2-CE 3.72Å; L472-M536 HydrophobicContact CG-CE 4.4Å; L531-M536 HydrophobicContact CD1-CE 4.25Å; L531-M536 HydrophobicContact CD2-CE 3.54Å; L531-M536 HydrophobicContact CG-CE 4.38Å; L531-M536 PolarHBondContact O-N 3Å; C534-M536 PolarHBondContact O-N 2.83Å; C534-M536 VanDerWaalsContact O-N 3.12Å; M536-F559 HydrophobicContact CE-CD1 3.77Å; M536-F559 HydrophobicContact CE-CE1 3.7Å; M536-F559 HydrophobicContact SD-CD1 4.46Å; M536-R563 WeakPolarHBondContact CG-O 3.48Å; M536-Y564 HydrophobicContact CB-CD1 4.12Å; M536-Y564 HydrophobicContact CB-CE1 4.36Å
537	V	88.6	Confident	90.9	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.018	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	129.7	172.4	-178.3	0	0	0	0	108.6	R539 S562 R563 I565 F593 D598	V537-R539 HydrophobicContact CB-CG 4.33Å; V537-R539 HydrophobicContact CG1-CG 3.72Å; V537-S562 CarbonylContact O-C 3.52Å; V537-S562 VanDerWaalsContact O-CA 3.29Å; V537-S562 WeakPolarHBondContact O-CA 3.48Å; V537-R563 PolarHBondContact N-O 2.64Å; V537-R563 PolarHBondContact O-N 3.05Å; V537-I565 HydrophobicContact CB-CD1 4.39Å; V537-I565 HydrophobicContact CG2-CD1 3.45Å; V537-I565 VanDerWaalsContact CG2-CD1 3.45Å; V537-I565 HydrophobicContact CG2-CG1 4.09Å; V537-F593 HydrophobicContact CG1-CB 4.42Å; V537-D598 WeakPolarHBondContact CA-OD2 3.44Å; V537-D598 HydrophobicContact CG1-CB 4.48Å; V537-D598 VanDerWaalsContact CG1-CG 3.46Å; V537-D598 WeakPolarHBondContact CG1-OD1 3.21Å; V537-D598 WeakPolarHBondContact CG1-OD2 3.42Å
538	H	92.1	Very high	90.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.154	C	C	.	.			trans	-83.6	-32.3	-171.9	-166.9	-40	0	0	0	113	L531 D540 I541 L556 G557 D558 S562 D598	L531-H538 HydrophobicContact CD1-CB 4.07Å; H538-D540 PolarHBondContact O-N 3.05Å; H538-I541 HydrophobicContact CB-CD1 4.23Å; H538-I541 HydrophobicContact CB-CG1 3.91Å; H538-L556 WeakPolarHBondContact NE2-CD1 3.43Å; H538-L556 WeakPolarHBondContact NE2-CG 3.16Å; H538-G557 PolarHBondContact CE1-O 3.02Å; H538-G557 VanDerWaalsContact CE1-O 3.27Å; H538-G557 PolarHBondContact NE2-O 3.36Å; H538-D558 PolarHBondContact CE1-O 3Å; H538-D558 VanDerWaalsContact CE1-O 3.29Å; H538-S562 WeakPolarHBondContact CA-OG 3.42Å; H538-S562 PolarHBondContact ND1-OG 3.11Å; H538-S562 PolarHBondContact O-OG 3.36Å; H538-D598 PolarHBondContact N-OD2 2.91Å
539	R	90.3	Very high	90.8	Very high	14 Å²	14	27.1 Å²	27.1	5%	0.053	17%	0.166	C	C	.	.	S	Bend	trans	66.8	-6	170.2	-53.2	-178.3	45.2	-123.8	-9.6	117.2	V537 L561 F593 D598	V537-R539 HydrophobicContact CB-CG 4.33Å; V537-R539 HydrophobicContact CG1-CG 3.72Å; R539-L561 HydrophobicContact CB-CB 4.48Å; R539-L561 WeakPolarHBondContact CD-O 3.3Å; R539-L561 PolarHBondContact NH1-O 2.89Å; R539-F593 HydrophobicContact CB-CD1 3.64Å; R539-F593 HydrophobicContact CB-CE1 3.94Å; R539-F593 HydrophobicContact CB-CG 4.34Å; R539-F593 HydrophobicContact CG-CB 3.85Å; R539-F593 HydrophobicContact CG-CD1 3.61Å; R539-F593 HydrophobicContact CG-CE1 4.38Å; R539-F593 HydrophobicContact CG-CG 3.87Å; R539-D598 PolarHBondContact N-OD1 3.23Å
540	D	91.4	Very high	90.9	Very high	13 Å²	13	26.4 Å²	26.4	7%	0.07	16%	0.162	C	C	.	.			trans	-150.2	73.5	171.1	-167.3	27.1	0	0	0	112.3	H538 R544 N545 L561 P579	H538-D540 PolarHBondContact O-N 3.05Å; D540-R544 IonicContact OD1-CZ 3.37Å; D540-R544 IonicContact OD1-NH2 2.69Å; D540-R544 PolarHBondContact OD1-NH2 3.37Å; D540-R544 IonicContact OD2-CZ 2.81Å; D540-R544 IonicContact OD2-NE 2.74Å; D540-R544 IonicContact OD2-NH2 3.14Å; D540-R544 PolarHBondContact OD2-NH2 2.64Å; D540-N545 VanDerWaalsContact CG-ND2 3.34Å; D540-N545 PolarHBondContact O-ND2 2.95Å; D540-N545 PolarHBondContact OD2-ND2 3Å; D540-L561 HydrophobicContact CB-CD1 3.95Å; D540-P579 WeakPolarHBondContact OD1-CG 3.47Å
541	I	97.1	Very high	91	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.17	C	C	.	.			trans	-92.5	108	179.3	-57.4	160.3	0	0	0	109	L528 H538 D598 M601 F602 C605	L528-I541 HydrophobicContact CD1-CD1 3.91Å; L528-I541 HydrophobicContact CD1-CG2 4.28Å; L528-I541 HydrophobicContact CD2-CD1 3.51Å; L528-I541 HydrophobicContact CD2-CG1 4.1Å; L528-I541 HydrophobicContact CG-CD1 4.38Å; H538-I541 HydrophobicContact CB-CD1 4.23Å; H538-I541 HydrophobicContact CB-CG1 3.91Å; I541-D598 HydrophobicContact CD1-CB 3.57Å; I541-M601 HydrophobicContact CB-CB 3.98Å; I541-F602 HydrophobicContact CG2-CB 4.31Å; I541-C605 HydrophobicContact CG2-CB 4.04Å
542	A	96.4	Very high	91.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-153.2	159.2	-179.6	0	0	0	0	0	110.7	R544 N545 W582	A542-R544 HydrophobicContact CB-CG 3.92Å; A542-R544 VanDerWaalsContact CB-NH1 3.32Å; A542-R544 PolarHBondContact O-N 2.85Å; A542-R544 VanDerWaalsContact O-N 3.08Å; A542-N545 PolarHBondContact O-N 3.17Å; A542-W582 HydrophobicContact CB-CG 4.36Å
543	V	97	Very high	92.1	Very high	7 Å²	7	30.7 Å²	30.7	4%	0.042	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-62.9	-18.6	-177.6	-63.5	0	0	0	0	114.8	L501 G502 L505 N545 E608 I609	L501-V543 HydrophobicContact CD2-CB 4.48Å; L501-V543 HydrophobicContact CD2-CG1 4.26Å; L501-V543 HydrophobicContact CG-CB 4.43Å; G502-V543 PolarHBondContact N-O 3.22Å; L505-V543 HydrophobicContact CD1-CG1 4.29Å; V543-N545 VanDerWaalsContact C-N 3.32Å; V543-E608 HydrophobicContact CB-CB 4.44Å; V543-E608 HydrophobicContact CG1-CB 3.57Å; V543-E608 HydrophobicContact CG2-CB 4.01Å; V543-E608 HydrophobicContact CG2-CG 4.45Å; V543-E608 PolarHBondContact N-OE2 3.18Å; V543-E608 VanDerWaalsContact N-OE2 3.11Å; V543-I609 HydrophobicContact CG1-CD1 4.37Å; V543-I609 HydrophobicContact CG1-CG1 3.59Å
544	R	93.7	Very high	93	Very high	79 Å²	79	27.5 Å²	27.5	30%	0.298	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-71.8	-22.8	173	57.4	164.1	-165.6	-74.6	-1.1	114.1	D540 A542	D540-R544 IonicContact OD1-CZ 3.37Å; D540-R544 IonicContact OD1-NH2 2.69Å; D540-R544 PolarHBondContact OD1-NH2 3.37Å; D540-R544 IonicContact OD2-CZ 2.81Å; D540-R544 IonicContact OD2-NE 2.74Å; D540-R544 IonicContact OD2-NH2 3.14Å; D540-R544 PolarHBondContact OD2-NH2 2.64Å; A542-R544 HydrophobicContact CB-CG 3.92Å; A542-R544 VanDerWaalsContact CB-NH1 3.32Å; A542-R544 PolarHBondContact O-N 2.85Å; A542-R544 VanDerWaalsContact O-N 3.08Å
545	N	94.8	Very high	93.8	Very high	14 Å²	14	26.6 Å²	26.6	8%	0.075	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-101.2	15.5	179.9	-59.9	-4.1	0	0	0	111	D540 A542 V543 G557 D558	D540-N545 VanDerWaalsContact CG-ND2 3.34Å; D540-N545 PolarHBondContact O-ND2 2.95Å; D540-N545 PolarHBondContact OD2-ND2 3Å; A542-N545 PolarHBondContact O-N 3.17Å; V543-N545 VanDerWaalsContact C-N 3.32Å; N545-G557 PolarHBondContact O-N 3.47Å; N545-D558 HydrophobicContact CB-CB 4.39Å
546	V	97.8	Very high	94.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	131.5	178	179.5	0	0	0	0	108.8	L501 I524 V554 K555 L556	L501-V546 HydrophobicContact CB-CB 4.03Å; L501-V546 HydrophobicContact CB-CG1 4.02Å; L501-V546 WeakPolarHBondContact CB-O 3.34Å; L501-V546 HydrophobicContact CD2-CB 4.04Å; L501-V546 HydrophobicContact CD2-CG1 3.66Å; L501-V546 HydrophobicContact CG-CG1 4.48Å; L501-V546 PolarHBondContact N-O 2.67Å; I524-V546 HydrophobicContact CD1-CG1 4.1Å; I524-V546 HydrophobicContact CD1-CG2 4Å; I524-V546 HydrophobicContact CG1-CG1 4.22Å; I524-V546 HydrophobicContact CG1-CG2 4.24Å; V546-V554 HydrophobicContact CG1-CB 3.74Å; V546-V554 HydrophobicContact CG1-CG1 4.26Å; V546-V554 HydrophobicContact CG1-CG2 4.2Å; V546-K555 CarbonylContact C-O 3.47Å; V546-K555 WeakPolarHBondContact CA-O 3.42Å; V546-L556 HydrophobicContact CG2-CD1 3.83Å
547	L	97.1	Very high	95.2	Very high	51 Å²	51	21.8 Å²	21.8	27%	0.267	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	145.8	-179	-56.2	-178.6	0	0	0	111.1	V478 Y496 G499 V554 K555	V478-L547 HydrophobicContact CG2-CD1 3.93Å; V478-L547 HydrophobicContact CG2-CG 4.42Å; Y496-L547 HydrophobicContact CD2-CB 3.68Å; Y496-L547 HydrophobicContact CD2-CD1 3.67Å; Y496-L547 HydrophobicContact CD2-CG 4.32Å; Y496-L547 HydrophobicContact CE2-CB 4.34Å; Y496-L547 HydrophobicContact CE2-CD1 4.01Å; Y496-L547 HydrophobicContact CG-CB 4.46Å; G499-L547 CarbonylContact O-C 3.56Å; G499-L547 VanDerWaalsContact O-CA 3.31Å; G499-L547 WeakPolarHBondContact O-CA 3.46Å; L547-V554 CarbonylContact O-C 3.43Å; L547-V554 VanDerWaalsContact O-CA 3.3Å; L547-V554 WeakPolarHBondContact O-CA 3.4Å; L547-K555 PolarHBondContact N-O 2.7Å; L547-K555 PolarHBondContact O-N 3.39Å
548	V	97.6	Very high	95	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	106.5	-178.2	179	0	0	0	0	109.1	Y496 Y498 G499 L501 Y504 S550 V554	Y496-V548 WeakPolarHBondContact CB-O 3.41Å; Y498-V548 HydrophobicContact CD2-CG1 4.01Å; Y498-V548 HydrophobicContact CG-CG1 4.03Å; G499-V548 PolarHBondContact O-N 2.61Å; L501-V548 HydrophobicContact CB-CG2 3.96Å; L501-V548 HydrophobicContact CD1-CG2 3.74Å; L501-V548 HydrophobicContact CG-CG2 4.46Å; Y504-V548 HydrophobicContact CD1-CG1 4.15Å; Y504-V548 HydrophobicContact CD1-CG2 3.84Å; Y504-V548 HydrophobicContact CD2-CG1 4.28Å; Y504-V548 HydrophobicContact CE1-CG1 4.11Å; Y504-V548 HydrophobicContact CE2-CG1 4.26Å; Y504-V548 HydrophobicContact CG-CB 4.41Å; Y504-V548 HydrophobicContact CG-CG1 4.23Å; Y504-V548 HydrophobicContact CG-CG2 3.88Å; V548-S550 WeakPolarHBondContact CG1-O 3.41Å; V548-V554 HydrophobicContact CG2-CG1 4.03Å
549	A	94.9	Very high	94.7	Very high	29 Å²	29	25 Å²	25	24%	0.24	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-41.7	-179.9	0	0	0	0	0	111.9	Y496 C553 K555	Y496-A549 HydrophobicContact CD1-CB 3.74Å; Y496-A549 HydrophobicContact CE1-CB 4.2Å; Y496-A549 HydrophobicContact CG-CB 4.35Å; A549-C553 HydrophobicContact CB-CB 4.44Å; A549-C553 PolarHBondContact N-O 3.06Å; A549-K555 HydrophobicContact CB-CD 4.4Å
550	S	96.1	Very high	94	Very high	34 Å²	34	24.7 Å²	24.7	24%	0.238	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	167.6	172.9	63.2	0	0	0	0	109.7	V548 D552 C553	V548-S550 WeakPolarHBondContact CG1-O 3.41Å; S550-D552 WeakPolarHBondContact CB-OD1 3.46Å; S550-D552 PolarHBondContact O-N 3.26Å; S550-D552 PolarHBondContact OG-OD1 3.41Å; S550-C553 PolarHBondContact N-O 3.04Å; S550-C553 VanDerWaalsContact N-O 3.16Å; S550-C553 PolarHBondContact O-N 2.91Å; S550-C553 VanDerWaalsContact O-O 3.11Å; S550-C553 WeakPolarHBondContact OG-CB 3.18Å; S550-C553 PolarHBondContact OG-N 3.45Å
551	P	95.1	Very high	93.1	Very high	62 Å²	62	27.1 Å²	27.1	40%	0.403	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-15.2	180	-26.5	37.1	0	0	0	114.9	Y498 F520	Y498-P551 HydrophobicContact CE2-CG 4.23Å; F520-P551 WeakPolarHBondContact CZ-O 3.44Å
552	D	95.3	Very high	92.2	Very high	97 Å²	97	27.1 Å²	27.1	52%	0.519	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	6.2	178.6	66.9	-35.9	0	0	0	114.1	L519 Q523 S550	L519-D552 HydrophobicContact CD2-CB 4.3Å; L519-D552 WeakPolarHBondContact CD2-O 3.28Å; Q523-D552 PolarHBondContact NE2-O 2.83Å; S550-D552 WeakPolarHBondContact CB-OD1 3.46Å; S550-D552 PolarHBondContact O-N 3.26Å; S550-D552 PolarHBondContact OG-OD1 3.41Å
553	C	97.4	Very high	91.1	Very high	27 Å²	27	30.2 Å²	30.2	18%	0.182	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	123.6	-178.6	-166.7	0	0	0	0	113.6	A549 S550	A549-C553 HydrophobicContact CB-CB 4.44Å; A549-C553 PolarHBondContact N-O 3.06Å; S550-C553 PolarHBondContact N-O 3.04Å; S550-C553 VanDerWaalsContact N-O 3.16Å; S550-C553 PolarHBondContact O-N 2.91Å; S550-C553 VanDerWaalsContact O-O 3.11Å; S550-C553 WeakPolarHBondContact OG-CB 3.18Å; S550-C553 PolarHBondContact OG-N 3.45Å
554	V	98.4	Very high	89.7	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	156.9	169.6	-64.9	0	0	0	0	112.8	H476 L501 F520 Q523 I524 V546 L547 V548	H476-V554 PolarHBondContact ND1-O 3.12Å; L501-V554 HydrophobicContact CD1-CG1 4.13Å; L501-V554 HydrophobicContact CD2-CG1 4.27Å; F520-V554 HydrophobicContact CB-CG1 4.27Å; F520-V554 HydrophobicContact CB-CG2 3.96Å; F520-V554 HydrophobicContact CD1-CB 4.42Å; F520-V554 HydrophobicContact CD1-CG1 3.57Å; F520-V554 HydrophobicContact CD1-CG2 4.1Å; F520-V554 HydrophobicContact CD2-CG1 4.29Å; F520-V554 HydrophobicContact CE1-CG1 3.87Å; F520-V554 HydrophobicContact CG-CG1 3.8Å; F520-V554 HydrophobicContact CG-CG2 4.28Å; F520-V554 HydrophobicContact CZ-CG1 4.34Å; Q523-V554 HydrophobicContact CB-CG2 3.87Å; I524-V554 HydrophobicContact CD1-CG2 4.38Å; I524-V554 HydrophobicContact CG1-CG2 3.99Å; V546-V554 HydrophobicContact CG1-CB 3.74Å; V546-V554 HydrophobicContact CG1-CG1 4.26Å; V546-V554 HydrophobicContact CG1-CG2 4.2Å; L547-V554 CarbonylContact O-C 3.43Å; L547-V554 VanDerWaalsContact O-CA 3.3Å; L547-V554 WeakPolarHBondContact O-CA 3.4Å; V548-V554 HydrophobicContact CG2-CG1 4.03Å
555	K	98.2	Very high	88.3	Confident	24 Å²	24	32.5 Å²	32.5	10%	0.104	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	137.3	177.8	-75.5	-179.9	162.9	-134.5	0	111.3	P475 H476 I477 V478 E494 Y496 V546 L547 A549	P475-K555 VanDerWaalsContact O-CE 3.29Å; P475-K555 WeakPolarHBondContact O-CE 3.48Å; H476-K555 WeakPolarHBondContact O-CA 3.25Å; I477-K555 WeakPolarHBondContact O-CD 3.41Å; I477-K555 WeakPolarHBondContact O-CE 3.39Å; I477-K555 PolarHBondContact O-NZ 3.34Å; V478-K555 HydrophobicContact CG2-CB 4.14Å; E494-K555 IonicContact OE2-NZ 3.97Å; E494-K555 PolarHBondContact OE2-NZ 3.25Å; Y496-K555 HydrophobicContact CE1-CD 3.63Å; Y496-K555 HydrophobicContact CE2-CD 4.07Å; Y496-K555 WeakPolarHBondContact OH-CD 3.34Å; Y496-K555 PolarHBondContact OH-NZ 3.3Å; V546-K555 CarbonylContact C-O 3.47Å; V546-K555 WeakPolarHBondContact CA-O 3.42Å; L547-K555 PolarHBondContact N-O 2.7Å; L547-K555 PolarHBondContact O-N 3.39Å; A549-K555 HydrophobicContact CB-CD 4.4Å
556	L	97.3	Very high	85.9	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	137	178	-175.2	60.7	0	0	0	111.2	H476 I477 V478 A527 L528 L531 H538 V546	H476-L556 PolarHBondContact O-N 2.7Å; I477-L556 WeakPolarHBondContact CA-O 3.24Å; V478-L556 WeakPolarHBondContact CG2-O 3.25Å; V478-L556 PolarHBondContact N-O 3.1Å; A527-L556 HydrophobicContact CB-CB 4.24Å; A527-L556 HydrophobicContact CB-CD2 4.11Å; L528-L556 HydrophobicContact CD2-CD2 3.64Å; L528-L556 HydrophobicContact CG-CD2 4.09Å; L531-L556 HydrophobicContact CD1-CD2 4.4Å; H538-L556 WeakPolarHBondContact NE2-CD1 3.43Å; H538-L556 WeakPolarHBondContact NE2-CG 3.16Å; V546-L556 HydrophobicContact CG2-CD1 3.83Å
557	G	92.1	Very high	83.2	Confident	4 Å²	4	47.2 Å²	47.2	4%	0.041	25%	0.248	C	C	.	.			trans	-150.1	-168.4	-174.8	0	0	0	0	0	114.2	H538 N545	H538-G557 PolarHBondContact CE1-O 3.02Å; H538-G557 VanDerWaalsContact CE1-O 3.27Å; H538-G557 PolarHBondContact NE2-O 3.36Å; N545-G557 PolarHBondContact O-N 3.47Å
558	D	85.6	Confident	80.4	Confident	71 Å²	71	54 Å²	54	38%	0.38	28%	0.278	S	S	.	.			trans	55.3	80.5	-168.1	-162.8	17.6	0	0	0	113.8	K449 H538 N545 G560	K449-D558 IonicContact NZ-OD1 3.76Å; K449-D558 PolarHBondContact NZ-OD1 3.05Å; K449-D558 VanDerWaalsContact NZ-OD1 3.07Å; H538-D558 PolarHBondContact CE1-O 3Å; H538-D558 VanDerWaalsContact CE1-O 3.29Å; N545-D558 HydrophobicContact CB-CB 4.39Å; D558-G560 VanDerWaalsContact C-N 3.33Å
559	F	84.9	Confident	77.5	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.314	C	S	.	.			trans	-89.2	7	-177.7	-69.8	-92.1	0	0	0	113.3	E465 I468 M469 L472 I477 L531 M536 L561 S562	E465-F559 HydrophobicContact CG-CB 3.97Å; E465-F559 PolarHBondContact OE1-N 2.71Å; I468-F559 HydrophobicContact CG2-CB 4.04Å; I468-F559 HydrophobicContact CG2-CD1 3.97Å; I468-F559 HydrophobicContact CG2-CG 4.21Å; M469-F559 HydrophobicContact CE-CD2 4.38Å; M469-F559 HydrophobicContact CG-CB 4.05Å; M469-F559 HydrophobicContact CG-CD2 3.61Å; M469-F559 HydrophobicContact CG-CE2 4.35Å; M469-F559 HydrophobicContact CG-CG 3.98Å; M469-F559 HydrophobicContact SD-CD2 3.88Å; L472-F559 HydrophobicContact CD1-CD1 3.92Å; L472-F559 HydrophobicContact CD1-CD2 4.41Å; L472-F559 HydrophobicContact CD1-CE1 3.52Å; L472-F559 HydrophobicContact CD1-CE2 4.03Å; L472-F559 HydrophobicContact CD1-CG 4.37Å; L472-F559 HydrophobicContact CD1-CZ 3.58Å; I477-F559 HydrophobicContact CG2-CE2 3.98Å; I477-F559 HydrophobicContact CG2-CZ 3.83Å; L531-F559 HydrophobicContact CD1-CE1 4.03Å; L531-F559 HydrophobicContact CD2-CE1 4.15Å; M536-F559 HydrophobicContact CE-CD1 3.77Å; M536-F559 HydrophobicContact CE-CE1 3.7Å; M536-F559 HydrophobicContact SD-CD1 4.46Å; F559-L561 PolarHBondContact O-N 3.22Å; F559-L561 VanDerWaalsContact O-N 3.14Å; F559-S562 WeakPolarHBondContact CA-OG 3.45Å; F559-S562 WeakPolarHBondContact CD1-OG 3.21Å; F559-S562 WeakPolarHBondContact O-CB 3.29Å; F559-S562 PolarHBondContact O-N 3.5Å
560	G	75.3	Confident	74.9	Confident	6 Å²	6	61.8 Å²	61.8	6%	0.062	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-29.9	-175.1	0	0	0	0	0	114.4	E465 D558 R563	E465-G560 WeakPolarHBondContact OE2-CA 3.28Å; D558-G560 VanDerWaalsContact C-N 3.33Å; G560-R563 PolarHBondContact O-NH1 2.7Å
561	L	73.2	Confident	72.4	Confident	65 Å²	65	64.8 Å²	64.8	34%	0.34	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-14.2	173.8	-65.1	177.7	0	0	0	113.9	R539 D540 F559	R539-L561 HydrophobicContact CB-CB 4.48Å; R539-L561 WeakPolarHBondContact CD-O 3.3Å; R539-L561 PolarHBondContact NH1-O 2.89Å; D540-L561 HydrophobicContact CB-CD1 3.95Å; F559-L561 PolarHBondContact O-N 3.22Å; F559-L561 VanDerWaalsContact O-N 3.14Å
562	S	79.1	Confident	70	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	31%	0.31	C	S	.	.			trans	-66	146.2	-177.6	-55.9	0	0	0	0	111.6	I468 V537 H538 F559	I468-S562 WeakPolarHBondContact CD1-O 3.32Å; V537-S562 CarbonylContact O-C 3.52Å; V537-S562 VanDerWaalsContact O-CA 3.29Å; V537-S562 WeakPolarHBondContact O-CA 3.48Å; H538-S562 WeakPolarHBondContact CA-OG 3.42Å; H538-S562 PolarHBondContact ND1-OG 3.11Å; H538-S562 PolarHBondContact O-OG 3.36Å; F559-S562 WeakPolarHBondContact CA-OG 3.45Å; F559-S562 WeakPolarHBondContact CD1-OG 3.21Å; F559-S562 WeakPolarHBondContact O-CB 3.29Å; F559-S562 PolarHBondContact O-N 3.5Å
563	R	71.9	Confident	67.2	Low	64 Å²	64	61.2 Å²	61.2	24%	0.242	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	144.7	175.9	-68	-61.6	-179	-92.2	18.7	111.1	S464 M536 V537 G560	S464-R563 PolarHBondContact OG-NH2 3.46Å; M536-R563 WeakPolarHBondContact CG-O 3.48Å; V537-R563 PolarHBondContact N-O 2.64Å; V537-R563 PolarHBondContact O-N 3.05Å; G560-R563 PolarHBondContact O-NH1 2.7Å
564	Y	67.8	Low	64.6	Low	94 Å²	94	63.2 Å²	63.2	37%	0.369	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	150.5	164.4	-63.2	-71.1	0	0	0	110.3	I468 C534 N535 M536	I468-Y564 HydrophobicContact CG1-CE2 4.05Å; C534-Y564 WeakPolarHBondContact O-CD1 3.4Å; N535-Y564 CarbonylContact O-C 3.6Å; M536-Y564 HydrophobicContact CB-CD1 4.12Å; M536-Y564 HydrophobicContact CB-CE1 4.36Å
565	I	63.9	Low	61.8	Low	41 Å²	41	69.2 Å²	69.2	21%	0.21	34%	0.342	C	S	.	.			trans	-110.6	125	169.6	-68.9	-173.8	0	0	0	108.9	N535 V537 E569	N535-I565 PolarHBondContact O-N 3.41Å; V537-I565 HydrophobicContact CB-CD1 4.39Å; V537-I565 HydrophobicContact CG2-CD1 3.45Å; V537-I565 VanDerWaalsContact CG2-CD1 3.45Å; V537-I565 HydrophobicContact CG2-CG1 4.09Å; I565-E569 WeakPolarHBondContact CG2-O 3.48Å
566	E	45.4	Very low	59.3	Low	172 Å²	172	71.1 Å²	71.1	80%	0.804	36%	0.356	S	S	*	.			trans	-94.7	132.2	167.8	-65.7	172.9	-169.4	0	0	108.1	E568 E569	E566-E568 PolarHBondContact O-N 2.9Å; E566-E569 PolarHBondContact O-N 2.74Å
567	D	40.8	Very low	57.4	Low	151 Å²	151	83 Å²	83	81%	0.807	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	15.4	90.7	177.5	-67.6	-11.2	0	0	0	118.7	E569	D567-E569 PolarHBondContact O-N 3.42Å
568	E	38.3	Very low	56.3	Low	193 Å²	193	84 Å²	84	90%	0.902	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	-12.7	173.2	-64	-163	159.5	0	0	118.1	E566	E566-E568 PolarHBondContact O-N 2.9Å
569	E	36.4	Very low	56.3	Low	159 Å²	159	81.6 Å²	81.6	74%	0.743	39%	0.393	S	S	*	.			trans	-70	148	177.6	-70.1	-156.5	167.8	0	0	112.5	I565 E566 D567	I565-E569 WeakPolarHBondContact CG2-O 3.48Å; E566-E569 PolarHBondContact O-N 2.74Å; D567-E569 PolarHBondContact O-N 3.42Å
570	Y	41.3	Very low	56.3	Low	34 Å²	34	83 Å²	83	13%	0.133	40%	0.401	C	S	.	.			trans	-115.2	129.5	-176.1	63.3	-80.6	0	0	0	112.1	E205 K572 R592	E205-Y570 HydrophobicContact CB-CE1 4Å; Y570-K572 HydrophobicContact CD2-CG 4.34Å; Y570-K572 HydrophobicContact CE2-CD 4.29Å; Y570-K572 HydrophobicContact CE2-CG 3.95Å; Y570-K572 PolarHBondContact O-N 2.87Å; Y570-K572 WeakPolarHBondContact OH-CE 3.23Å; Y570-K572 PolarHBondContact OH-NZ 3.2Å; Y570-K572 VanDerWaalsContact OH-NZ 3.16Å; Y570-R592 HydrophobicContact CD2-CB 3.69Å; Y570-R592 HydrophobicContact CD2-CG 3.63Å; Y570-R592 HydrophobicContact CE2-CB 4.28Å; Y570-R592 HydrophobicContact CG-CB 4.43Å; Y570-R592 HydrophobicContact CG-CG 3.85Å
571	Y	43	Very low	57.2	Low	97 Å²	97	83.4 Å²	83.4	38%	0.38	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	132.4	178.3	-179.6	-101.2	0	0	0	112	A573 F593	Y571-A573 HydrophobicContact CD1-CB 4.31Å; Y571-A573 VanDerWaalsContact CE1-CA 3.45Å; Y571-A573 HydrophobicContact CE1-CB 3.71Å; Y571-F593 HydrophobicContact CD1-CD2 4.31Å
572	K	44.1	Very low	58.2	Low	69 Å²	69	81.9 Å²	81.9	30%	0.3	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	112.5	170.7	-72.1	177.2	-176.9	167	0	110	Y570	Y570-K572 HydrophobicContact CD2-CG 4.34Å; Y570-K572 HydrophobicContact CE2-CD 4.29Å; Y570-K572 HydrophobicContact CE2-CG 3.95Å; Y570-K572 PolarHBondContact O-N 2.87Å; Y570-K572 WeakPolarHBondContact OH-CE 3.23Å; Y570-K572 PolarHBondContact OH-NZ 3.2Å; Y570-K572 VanDerWaalsContact OH-NZ 3.16Å
573	A	37.7	Very low	58.9	Low	15 Å²	15	81.9 Å²	81.9	12%	0.124	39%	0.39	C	S	.	.			trans	-76.3	150.3	-175.3	0	0	0	0	0	115	Y571 F593	Y571-A573 HydrophobicContact CD1-CB 4.31Å; Y571-A573 VanDerWaalsContact CE1-CA 3.45Å; Y571-A573 HydrophobicContact CE1-CB 3.71Å; A573-F593 HydrophobicContact CB-CE2 3.74Å
574	S	42	Very low	59.9	Low	68 Å²	68	78.9 Å²	78.9	48%	0.476	38%	0.379	S	S	.	.			trans	-73.1	-178.5	172.2	62.3	0	0	0	0	113.2	T576 R591	S574-T576 VanDerWaalsContact C-N 3.27Å; S574-T576 PolarHBondContact O-N 3.38Å; S574-R591 PolarHBondContact O-NH1 3.41Å; S574-R591 VanDerWaalsContact O-NH1 3.17Å
575	V	39	Very low	60.9	Low	127 Å²	127	74.4 Å²	74.4	77%	0.77	36%	0.362	S	S	*	.	S	Bend	trans	-87.9	41.9	-163.4	-156.6	0	0	0	0	113.3
576	T	45.8	Very low	62	Low	63 Å²	63	73 Å²	73	39%	0.387	35%	0.354	S	S	.	.	S	Bend	trans	-81.1	168.7	177.7	51.9	0	0	0	0	113	S574 L578	S574-T576 VanDerWaalsContact C-N 3.27Å; S574-T576 PolarHBondContact O-N 3.38Å; T576-L578 PolarHBondContact O-N 3.27Å; T576-L578 VanDerWaalsContact O-N 3.1Å
577	R	56.9	Low	63.9	Low	249 Å²	249	64.9 Å²	64.9	94%	0.94	32%	0.316	S	S	*	.			trans	-63.8	106.1	172.3	-79.8	173.2	60.1	165.9	-3.5	109.9
578	L	70.8	Confident	65.8	Low	27 Å²	27	58.3 Å²	58.3	14%	0.141	28%	0.281	C	S	.	.			trans	-87.8	147.9	-179.1	-74.8	179.9	0	0	0	113.5	T576 I580 M583 F593	T576-L578 PolarHBondContact O-N 3.27Å; T576-L578 VanDerWaalsContact O-N 3.1Å; L578-I580 HydrophobicContact CB-CD1 3.66Å; L578-I580 HydrophobicContact CB-CG1 4.2Å; L578-I580 HydrophobicContact CD1-CD1 4.12Å; L578-I580 PolarHBondContact O-N 2.89Å; L578-M583 HydrophobicContact CB-SD 3.74Å; L578-M583 HydrophobicContact CD1-CE 3.94Å; L578-M583 HydrophobicContact CD1-SD 4Å; L578-M583 HydrophobicContact CD2-CE 4.31Å; L578-M583 HydrophobicContact CD2-SD 4.04Å; L578-M583 HydrophobicContact CG-SD 4.15Å; L578-F593 HydrophobicContact CD2-CZ 4.48Å
579	P	84.8	Confident	67.4	Low	19 Å²	19	49.3 Å²	49.3	12%	0.123	24%	0.239	C	C	.	.			trans	-79.8	59.1	175.3	34.8	-36.3	0	0	0	111.9	D540 K581 W582 M583	D540-P579 WeakPolarHBondContact OD1-CG 3.47Å; P579-K581 PolarHBondContact O-N 3.23Å; P579-W582 HydrophobicContact CB-CE3 3.94Å; P579-W582 PolarHBondContact O-N 3.23Å; P579-M583 HydrophobicContact CG-CG 4.07Å; P579-M583 HydrophobicContact CG-SD 4.2Å; P579-M583 WeakPolarHBondContact O-CG 3.47Å; P579-M583 PolarHBondContact O-N 2.79Å
580	I	84.8	Confident	69.1	Low	31 Å²	31	42.3 Å²	42.3	16%	0.159	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-36.3	-168.7	-59	-62.4	0	0	0	114.4	L578 W582 M583 I588 N622 V625	L578-I580 HydrophobicContact CB-CD1 3.66Å; L578-I580 HydrophobicContact CB-CG1 4.2Å; L578-I580 HydrophobicContact CD1-CD1 4.12Å; L578-I580 PolarHBondContact O-N 2.89Å; I580-W582 PolarHBondContact O-N 2.92Å; I580-M583 HydrophobicContact CD1-SD 4.2Å; I580-M583 PolarHBondContact O-N 3.31Å; I580-I588 HydrophobicContact CD1-CG1 4.41Å; I580-I588 HydrophobicContact CG2-CD1 4.09Å; I580-I588 HydrophobicContact CG2-CG1 4.41Å; I580-N622 HydrophobicContact CB-CB 4.12Å; I580-N622 HydrophobicContact CG1-CB 4.37Å; I580-N622 HydrophobicContact CG2-CB 4.33Å; I580-N622 WeakPolarHBondContact CG2-O 3.32Å; I580-V625 HydrophobicContact CG2-CB 4.35Å
581	K	93.2	Very high	70.5	Confident	14 Å²	14	42.9 Å²	42.9	6%	0.061	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-18.3	180	-69.4	173.3	171.4	-144.4	0	114.6	P579 Q615 P616 F617 L620 N622 V625	P579-K581 PolarHBondContact O-N 3.23Å; K581-Q615 HydrophobicContact CD-CG 4.48Å; K581-P616 HydrophobicContact CB-CG 4.24Å; K581-P616 WeakPolarHBondContact CD-O 3.26Å; K581-F617 HydrophobicContact CB-CD2 4.48Å; K581-F617 HydrophobicContact CG-CB 4.47Å; K581-F617 PolarHBondContact NZ-O 3.23Å; K581-L620 WeakPolarHBondContact CE-O 3.34Å; K581-L620 PolarHBondContact NZ-O 3.22Å; K581-N622 VanDerWaalsContact CE-OD1 3.22Å; K581-N622 WeakPolarHBondContact CE-OD1 3.36Å; K581-V625 HydrophobicContact CG-CG2 3.91Å
582	W	95.4	Very high	72.1	Confident	32 Å²	32	40.1 Å²	40.1	12%	0.121	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-28.8	176.3	-67.4	-102.8	0	0	0	112.7	A542 P579 I580 W600 M601 V604 E608 Q615 P616	A542-W582 HydrophobicContact CB-CG 4.36Å; P579-W582 HydrophobicContact CB-CE3 3.94Å; P579-W582 PolarHBondContact O-N 3.23Å; I580-W582 PolarHBondContact O-N 2.92Å; W582-W600 VanDerWaalsContact O-CD1 3.22Å; W582-W600 PolarHBondContact O-NE1 3.11Å; W582-M601 VanDerWaalsContact O-CG 3.31Å; W582-M601 WeakPolarHBondContact O-CG 2.89Å; W582-V604 HydrophobicContact CB-CG1 4.48Å; W582-V604 HydrophobicContact CG-CG1 4.12Å; W582-E608 VanDerWaalsContact CE2-OE1 3.3Å; W582-E608 VanDerWaalsContact CZ2-OE1 3.25Å; W582-E608 WeakPolarHBondContact CZ2-OE1 3.39Å; W582-E608 PolarHBondContact NE1-OE1 3.05Å; W582-E608 PolarHBondContact NE1-OE2 3.07Å; W582-Q615 HydrophobicContact CH2-CG 4.16Å; W582-P616 HydrophobicContact CD2-CG 3.96Å; W582-P616 HydrophobicContact CG-CG 4.38Å; W582-P616 HydrophobicContact CH2-CG 4.34Å; W582-P616 HydrophobicContact CZ2-CG 3.78Å
583	M	92.6	Very high	73.9	Confident	1 Å²	1	37 Å²	37	1%	0.005	18%	0.183	C	C	.	.	S	Bend	trans	-69.2	152.3	-168.6	-71.1	177.6	64.7	0	0	114.6	L578 P579 I580 S587 I588 F593 W600	L578-M583 HydrophobicContact CB-SD 3.74Å; L578-M583 HydrophobicContact CD1-CE 3.94Å; L578-M583 HydrophobicContact CD1-SD 4Å; L578-M583 HydrophobicContact CD2-CE 4.31Å; L578-M583 HydrophobicContact CD2-SD 4.04Å; L578-M583 HydrophobicContact CG-SD 4.15Å; P579-M583 HydrophobicContact CG-CG 4.07Å; P579-M583 HydrophobicContact CG-SD 4.2Å; P579-M583 WeakPolarHBondContact O-CG 3.47Å; P579-M583 PolarHBondContact O-N 2.79Å; I580-M583 HydrophobicContact CD1-SD 4.2Å; I580-M583 PolarHBondContact O-N 3.31Å; M583-S587 VanDerWaalsContact CE-C 3.49Å; M583-S587 VanDerWaalsContact CE-CB 3.45Å; M583-S587 VanDerWaalsContact CE-O 3.28Å; M583-S587 WeakPolarHBondContact CE-O 3.41Å; M583-I588 HydrophobicContact CB-CD1 4.18Å; M583-I588 HydrophobicContact CB-CG1 3.78Å; M583-I588 HydrophobicContact CE-CG1 4.47Å; M583-F593 HydrophobicContact CE-CE1 3.97Å; M583-F593 HydrophobicContact CE-CZ 3.62Å; M583-W600 PolarHBondContact O-NE1 3.09Å; M583-W600 VanDerWaalsContact O-NE1 3.08Å
584	A	94.1	Very high	76.3	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.184	C	C	.	.			trans	-73.4	152.3	173.3	0	0	0	0	0	112.1	E586 S587 I588 W600	A584-E586 VanDerWaalsContact C-N 3.28Å; A584-E586 VanDerWaalsContact CB-OE1 3.24Å; A584-E586 WeakPolarHBondContact CB-OE1 3.45Å; A584-E586 WeakPolarHBondContact CB-OE2 3.34Å; A584-E586 PolarHBondContact O-N 3.41Å; A584-S587 WeakPolarHBondContact O-CB 3.34Å; A584-S587 PolarHBondContact O-N 3.27Å; A584-I588 WeakPolarHBondContact O-CG1 3.18Å; A584-I588 PolarHBondContact O-N 3.02Å; A584-W600 HydrophobicContact CB-CB 3.83Å; A584-W600 HydrophobicContact CB-CD2 4.05Å; A584-W600 HydrophobicContact CB-CG 3.7Å
585	P	89.3	Confident	78.6	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-57.9	-35	-176.8	-25.5	34.7	0	0	0	114.4	I588 N589 W600 I626 L629 Y655	P585-I588 PolarHBondContact O-N 2.95Å; P585-N589 WeakPolarHBondContact O-CB 3.15Å; P585-N589 PolarHBondContact O-N 3.22Å; P585-N589 PolarHBondContact O-ND2 2.86Å; P585-W600 HydrophobicContact CG-CH2 3.65Å; P585-W600 HydrophobicContact CG-CZ2 4.12Å; P585-W600 HydrophobicContact CG-CZ3 3.85Å; P585-I626 HydrophobicContact CB-CD1 4.13Å; P585-L629 HydrophobicContact CG-CD1 4.39Å; P585-Y655 HydrophobicContact CB-CD2 4.05Å; P585-Y655 HydrophobicContact CB-CE2 3.54Å; P585-Y655 HydrophobicContact CG-CD2 3.92Å; P585-Y655 HydrophobicContact CG-CE2 3.92Å
586	E	86.3	Confident	81.3	Confident	12 Å²	12	31.9 Å²	31.9	6%	0.056	15%	0.153	C	C	.	.	H	α-helix	trans	-72.2	-31.7	176.1	71.8	-74.9	-178.4	0	0	112.9	A584 F590 S597 P657 R660	A584-E586 VanDerWaalsContact C-N 3.28Å; A584-E586 VanDerWaalsContact CB-OE1 3.24Å; A584-E586 WeakPolarHBondContact CB-OE1 3.45Å; A584-E586 WeakPolarHBondContact CB-OE2 3.34Å; A584-E586 PolarHBondContact O-N 3.41Å; E586-F590 HydrophobicContact CB-CD2 4.17Å; E586-F590 WeakPolarHBondContact O-CA 3.34Å; E586-F590 WeakPolarHBondContact O-CB 3.34Å; E586-F590 PolarHBondContact O-N 3.44Å; E586-S597 WeakPolarHBondContact OE1-CB 3.47Å; E586-P657 HydrophobicContact CG-CG 4.07Å; E586-R660 IonicContact OE1-CZ 3.67Å; E586-R660 IonicContact OE1-NH1 2.69Å; E586-R660 PolarHBondContact OE1-NH1 3.47Å; E586-R660 IonicContact OE1-NH2 2.79Å; E586-R660 PolarHBondContact OE1-NH2 2.97Å; E586-R660 IonicContact OE2-CZ 3.41Å; E586-R660 IonicContact OE2-NH1 2.75Å; E586-R660 PolarHBondContact OE2-NH1 3.4Å; E586-R660 IonicContact OE2-NH2 3.89Å; E586-R660 PolarHBondContact OE2-NH2 3.31Å
587	S	85.6	Confident	83.6	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-72.4	-30.7	174.2	-46.9	0	0	0	0	112	M583 A584 R591 R592 S597	M583-S587 VanDerWaalsContact CE-C 3.49Å; M583-S587 VanDerWaalsContact CE-CB 3.45Å; M583-S587 VanDerWaalsContact CE-O 3.28Å; M583-S587 WeakPolarHBondContact CE-O 3.41Å; A584-S587 WeakPolarHBondContact O-CB 3.34Å; A584-S587 PolarHBondContact O-N 3.27Å; S587-R591 VanDerWaalsContact O-CA 3.25Å; S587-R591 WeakPolarHBondContact O-CA 3.46Å; S587-R591 PolarHBondContact O-N 3.31Å; S587-R592 WeakPolarHBondContact CA-O 3.47Å; S587-R592 WeakPolarHBondContact CB-O 3.32Å; S587-R592 PolarHBondContact OG-O 2.85Å; S587-S597 VanDerWaalsContact OG-CB 3.29Å; S587-S597 WeakPolarHBondContact OG-CB 3.23Å
588	I	80.1	Confident	85.5	Confident	14 Å²	14	17.2 Å²	17.2	7%	0.072	9%	0.091	C	C	.	.	H	α-helix	trans	-73.8	-56.4	173.3	-62.2	165.1	0	0	0	110.1	I580 M583 A584 P585 I626 L629	I580-I588 HydrophobicContact CD1-CG1 4.41Å; I580-I588 HydrophobicContact CG2-CD1 4.09Å; I580-I588 HydrophobicContact CG2-CG1 4.41Å; M583-I588 HydrophobicContact CB-CD1 4.18Å; M583-I588 HydrophobicContact CB-CG1 3.78Å; M583-I588 HydrophobicContact CE-CG1 4.47Å; A584-I588 WeakPolarHBondContact O-CG1 3.18Å; A584-I588 PolarHBondContact O-N 3.02Å; P585-I588 PolarHBondContact O-N 2.95Å; I588-I626 HydrophobicContact CB-CD1 4.22Å; I588-I626 HydrophobicContact CD1-CD1 4.22Å; I588-I626 HydrophobicContact CG2-CB 4.2Å; I588-I626 HydrophobicContact CG2-CD1 4.12Å; I588-I626 HydrophobicContact CG2-CG1 4.15Å; I588-L629 HydrophobicContact CD1-CD1 4.41Å
589	N	73.1	Confident	86.9	Confident	4 Å²	4	16.1 Å²	16.1	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-71.2	-38.5	-173.1	-77.3	-41.8	0	0	0	114.3	P585	P585-N589 WeakPolarHBondContact O-CB 3.15Å; P585-N589 PolarHBondContact O-N 3.22Å; P585-N589 PolarHBondContact O-ND2 2.86Å
590	F	70.8	Confident	87.5	Confident	11 Å²	11	15.3 Å²	15.3	5%	0.048	8%	0.08	C	C	.	.	S	Bend	trans	-120.3	3.5	-168.5	-49.1	-68.4	0	0	0	113.4	Y185 M188 N198 L201 E586 R592	Y185-F590 AromaticContact CD1-CD1 3.69Å; Y185-F590 HydrophobicContact CD1-CD1 3.69Å; Y185-F590 HydrophobicContact CD1-CE1 4.47Å; Y185-F590 HydrophobicContact CE1-CB 4.19Å; Y185-F590 AromaticContact CE1-CD1 3.73Å; Y185-F590 HydrophobicContact CE1-CD1 3.73Å; Y185-F590 HydrophobicContact CE1-CG 4.46Å; Y185-F590 HydrophobicContact CG-CD1 4.34Å; M188-F590 HydrophobicContact SD-CE1 3.63Å; M188-F590 HydrophobicContact SD-CZ 4.06Å; N198-F590 HydrophobicContact CB-CE2 4.27Å; N198-F590 HydrophobicContact CB-CZ 3.78Å; L201-F590 HydrophobicContact CD2-CB 3.94Å; L201-F590 HydrophobicContact CD2-CD1 3.96Å; L201-F590 HydrophobicContact CD2-CD2 3.27Å; L201-F590 HydrophobicContact CD2-CE1 4.34Å; L201-F590 HydrophobicContact CD2-CE2 3.72Å; L201-F590 HydrophobicContact CD2-CG 3.43Å; L201-F590 VanDerWaalsContact CD2-CG 3.43Å; L201-F590 HydrophobicContact CD2-CZ 4.24Å; E586-F590 HydrophobicContact CB-CD2 4.17Å; E586-F590 WeakPolarHBondContact O-CA 3.34Å; E586-F590 WeakPolarHBondContact O-CB 3.34Å; E586-F590 PolarHBondContact O-N 3.44Å; F590-R592 HydrophobicContact CB-CB 4.48Å; F590-R592 PolarHBondContact O-N 2.57Å; F590-R592 VanDerWaalsContact O-N 3.12Å
591	R	72.3	Confident	88.2	Confident	47 Å²	47	13.9 Å²	13.9	18%	0.177	7%	0.072	C	C	.	.			trans	54.9	20.1	-173.2	-54.4	-54.9	-169.9	103.6	-11	114.3	D187 S574 S587 F593	D187-R591 IonicContact OD2-CZ 2.68Å; D187-R591 VanDerWaalsContact OD2-CZ 3.31Å; D187-R591 IonicContact OD2-NE 2.74Å; D187-R591 PolarHBondContact OD2-NE 2.91Å; D187-R591 VanDerWaalsContact OD2-NE 3.1Å; D187-R591 IonicContact OD2-NH2 2.74Å; D187-R591 PolarHBondContact OD2-NH2 3.39Å; S574-R591 PolarHBondContact O-NH1 3.41Å; S574-R591 VanDerWaalsContact O-NH1 3.17Å; S587-R591 VanDerWaalsContact O-CA 3.25Å; S587-R591 WeakPolarHBondContact O-CA 3.46Å; S587-R591 PolarHBondContact O-N 3.31Å; R591-F593 WeakPolarHBondContact O-CD2 3.48Å; R591-F593 WeakPolarHBondContact O-CE2 3.41Å
592	R	75.6	Confident	88.4	Confident	38 Å²	38	13.2 Å²	13.2	14%	0.143	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	128.6	-178.2	172.9	161	-165.8	-156.6	12	111.8	L201 E205 Y570 S587 F590 T594	L201-R592 VanDerWaalsContact CD1-NH1 3.35Å; E205-R592 VanDerWaalsContact CD-CZ 3.41Å; E205-R592 VanDerWaalsContact CD-NH2 3.27Å; E205-R592 IonicContact OE1-CZ 3.69Å; E205-R592 IonicContact OE1-NH1 2.72Å; E205-R592 PolarHBondContact OE1-NH1 2.82Å; E205-R592 IonicContact OE1-NH2 3.83Å; E205-R592 PolarHBondContact OE1-NH2 3.3Å; E205-R592 IonicContact OE2-CZ 3.6Å; E205-R592 IonicContact OE2-NE 3.07Å; E205-R592 PolarHBondContact OE2-NE 2.88Å; E205-R592 IonicContact OE2-NH1 2.78Å; E205-R592 PolarHBondContact OE2-NH1 2.85Å; E205-R592 IonicContact OE2-NH2 3.82Å; E205-R592 PolarHBondContact OE2-NH2 2.85Å; Y570-R592 HydrophobicContact CD2-CB 3.69Å; Y570-R592 HydrophobicContact CD2-CG 3.63Å; Y570-R592 HydrophobicContact CE2-CB 4.28Å; Y570-R592 HydrophobicContact CG-CB 4.43Å; Y570-R592 HydrophobicContact CG-CG 3.85Å; S587-R592 WeakPolarHBondContact CA-O 3.47Å; S587-R592 WeakPolarHBondContact CB-O 3.32Å; S587-R592 PolarHBondContact OG-O 2.85Å; F590-R592 HydrophobicContact CB-CB 4.48Å; F590-R592 PolarHBondContact O-N 2.57Å; F590-R592 VanDerWaalsContact O-N 3.12Å; R592-T594 HydrophobicContact CG-CG2 4.04Å
593	F	82.5	Confident	88.6	Confident	4 Å²	4	11.7 Å²	11.7	2%	0.018	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.6	172.7	-64.9	-94.5	0	0	0	110.5	V537 R539 Y571 A573 L578 M583 R591 M601	V537-F593 HydrophobicContact CG1-CB 4.42Å; R539-F593 HydrophobicContact CB-CD1 3.64Å; R539-F593 HydrophobicContact CB-CE1 3.94Å; R539-F593 HydrophobicContact CB-CG 4.34Å; R539-F593 HydrophobicContact CG-CB 3.85Å; R539-F593 HydrophobicContact CG-CD1 3.61Å; R539-F593 HydrophobicContact CG-CE1 4.38Å; R539-F593 HydrophobicContact CG-CG 3.87Å; Y571-F593 HydrophobicContact CD1-CD2 4.31Å; A573-F593 HydrophobicContact CB-CE2 3.74Å; L578-F593 HydrophobicContact CD2-CZ 4.48Å; M583-F593 HydrophobicContact CE-CE1 3.97Å; M583-F593 HydrophobicContact CE-CZ 3.62Å; R591-F593 WeakPolarHBondContact O-CD2 3.48Å; R591-F593 WeakPolarHBondContact O-CE2 3.41Å; F593-M601 HydrophobicContact CD1-CE 4.28Å
594	T	87.3	Confident	88.9	Confident	22 Å²	22	11.7 Å²	11.7	14%	0.135	6%	0.063	C	C	.	.			trans	-151	169.9	178.9	66	0	0	0	0	110.2	R592 A596 S597 D598	R592-T594 HydrophobicContact CG-CG2 4.04Å; T594-A596 PolarHBondContact O-N 3.36Å; T594-A596 VanDerWaalsContact O-N 3.12Å; T594-A596 PolarHBondContact OG1-N 3.17Å; T594-S597 PolarHBondContact N-OG 2.98Å; T594-S597 WeakPolarHBondContact O-CA 3.45Å; T594-S597 WeakPolarHBondContact O-CB 3.49Å; T594-S597 PolarHBondContact O-N 3.45Å; T594-S597 PolarHBondContact O-OG 2.71Å; T594-S597 PolarHBondContact OG1-N 2.88Å; T594-D598 PolarHBondContact O-N 2.92Å
595	S	91.1	Very high	89.1	Confident	57 Å²	57	11.7 Å²	11.7	40%	0.399	6%	0.063	S	C	.	.	H	α-helix	trans	-55	-29.7	172.9	-38.4	0	0	0	0	113.3	D598 V599	S595-D598 PolarHBondContact O-N 3.38Å; S595-V599 WeakPolarHBondContact O-CG2 3.4Å; S595-V599 PolarHBondContact O-N 3.34Å
596	A	95.1	Very high	89.5	Confident	24 Å²	24	11.6 Å²	11.6	20%	0.198	6%	0.063	C	C	.	.	H	α-helix	trans	-73.4	-28.7	175.2	0	0	0	0	0	113.1	T594 W600 P657 R660	T594-A596 PolarHBondContact O-N 3.36Å; T594-A596 VanDerWaalsContact O-N 3.12Å; T594-A596 PolarHBondContact OG1-N 3.17Å; A596-W600 PolarHBondContact O-N 3.44Å; A596-P657 HydrophobicContact CB-CB 3.88Å; A596-R660 WeakPolarHBondContact O-CD 3.4Å; A596-R660 PolarHBondContact O-NH1 3.22Å
597	S	95.2	Very high	90.1	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-74.1	-34.4	170	70.9	0	0	0	0	111.9	E586 S587 T594 W600 M601	E586-S597 WeakPolarHBondContact OE1-CB 3.47Å; S587-S597 VanDerWaalsContact OG-CB 3.29Å; S587-S597 WeakPolarHBondContact OG-CB 3.23Å; T594-S597 PolarHBondContact N-OG 2.98Å; T594-S597 WeakPolarHBondContact O-CA 3.45Å; T594-S597 WeakPolarHBondContact O-CB 3.49Å; T594-S597 PolarHBondContact O-N 3.45Å; T594-S597 PolarHBondContact O-OG 2.71Å; T594-S597 PolarHBondContact OG1-N 2.88Å; S597-W600 WeakPolarHBondContact O-CB 3.28Å; S597-W600 PolarHBondContact O-N 3.46Å; S597-M601 WeakPolarHBondContact O-CE 3.46Å; S597-M601 PolarHBondContact O-N 2.8Å
598	D	96.7	Very high	90.7	Very high	3 Å²	3	11.5 Å²	11.5	2%	0.016	6%	0.062	C	C	.	.	H	α-helix	trans	-66.9	-36.6	172.2	-87.4	9.8	0	0	0	111.8	V537 H538 R539 I541 T594 S595 W600 M601 F602 F663	V537-D598 WeakPolarHBondContact CA-OD2 3.44Å; V537-D598 HydrophobicContact CG1-CB 4.48Å; V537-D598 VanDerWaalsContact CG1-CG 3.46Å; V537-D598 WeakPolarHBondContact CG1-OD1 3.21Å; V537-D598 WeakPolarHBondContact CG1-OD2 3.42Å; H538-D598 PolarHBondContact N-OD2 2.91Å; R539-D598 PolarHBondContact N-OD1 3.23Å; I541-D598 HydrophobicContact CD1-CB 3.57Å; T594-D598 PolarHBondContact O-N 2.92Å; S595-D598 PolarHBondContact O-N 3.38Å; D598-W600 VanDerWaalsContact C-N 3.28Å; D598-W600 PolarHBondContact O-N 3.05Å; D598-M601 PolarHBondContact O-N 3.32Å; D598-M601 WeakPolarHBondContact OD1-CE 3.49Å; D598-F602 VanDerWaalsContact O-CB 3.26Å; D598-F602 WeakPolarHBondContact O-CB 3.4Å; D598-F602 PolarHBondContact O-N 2.63Å; D598-F663 HydrophobicContact CB-CE2 3.99Å; D598-F663 HydrophobicContact CB-CZ 3.91Å
599	V	98.5	Very high	91.6	Very high	4 Å²	4	10.8 Å²	10.8	2%	0.024	6%	0.059	C	C	.	.	H	α-helix	trans	-58.8	-39.1	171.8	162.3	0	0	0	0	111.9	S595 A603 C652 R660 P661 F663 L666	S595-V599 WeakPolarHBondContact O-CG2 3.4Å; S595-V599 PolarHBondContact O-N 3.34Å; V599-A603 PolarHBondContact O-N 3.13Å; V599-A603 VanDerWaalsContact O-N 3.1Å; V599-C652 HydrophobicContact CG1-CB 3.81Å; V599-R660 HydrophobicContact CG1-CB 4.07Å; V599-P661 WeakPolarHBondContact CG2-O 3.31Å; V599-F663 HydrophobicContact CB-CE1 4.46Å; V599-F663 HydrophobicContact CB-CZ 4.31Å; V599-F663 HydrophobicContact CG2-CD1 3.99Å; V599-F663 HydrophobicContact CG2-CD2 3.99Å; V599-F663 HydrophobicContact CG2-CE1 3.76Å; V599-F663 HydrophobicContact CG2-CE2 3.77Å; V599-F663 HydrophobicContact CG2-CG 4.1Å; V599-F663 HydrophobicContact CG2-CZ 3.65Å; V599-L666 HydrophobicContact CG1-CD1 4.12Å; V599-L666 HydrophobicContact CG2-CD1 4.36Å
600	W	98.5	Very high	92.7	Very high	3 Å²	3	10.9 Å²	10.9	1%	0.011	6%	0.059	C	C	.	.	H	α-helix	trans	-65.9	-49.4	174.7	175.8	-68.5	0	0	0	111.3	W582 M583 A584 P585 A596 S597 D598 F602 A603 V604 L629 W653	W582-W600 VanDerWaalsContact O-CD1 3.22Å; W582-W600 PolarHBondContact O-NE1 3.11Å; M583-W600 PolarHBondContact O-NE1 3.09Å; M583-W600 VanDerWaalsContact O-NE1 3.08Å; A584-W600 HydrophobicContact CB-CB 3.83Å; A584-W600 HydrophobicContact CB-CD2 4.05Å; A584-W600 HydrophobicContact CB-CG 3.7Å; P585-W600 HydrophobicContact CG-CH2 3.65Å; P585-W600 HydrophobicContact CG-CZ2 4.12Å; P585-W600 HydrophobicContact CG-CZ3 3.85Å; A596-W600 PolarHBondContact O-N 3.44Å; S597-W600 WeakPolarHBondContact O-CB 3.28Å; S597-W600 PolarHBondContact O-N 3.46Å; D598-W600 VanDerWaalsContact C-N 3.28Å; D598-W600 PolarHBondContact O-N 3.05Å; W600-F602 VanDerWaalsContact C-N 3.34Å; W600-F602 PolarHBondContact O-N 3.48Å; W600-A603 PolarHBondContact O-N 3.02Å; W600-A603 VanDerWaalsContact O-N 3.13Å; W600-V604 PolarHBondContact O-N 3.46Å; W600-V604 VanDerWaalsContact O-N 3.08Å; W600-L629 HydrophobicContact CH2-CD1 4.34Å; W600-L629 HydrophobicContact CH2-CD2 3.95Å; W600-L629 HydrophobicContact CZ2-CD1 3.74Å; W600-L629 HydrophobicContact CZ2-CD2 3.64Å; W600-L629 HydrophobicContact CZ2-CG 4.26Å; W600-W653 AromaticContact CD2-CD1 3.83Å; W600-W653 AromaticContact CE2-CD1 3.93Å; W600-W653 HydrophobicContact CE3-CB 4.18Å; W600-W653 HydrophobicContact CH2-CB 4.18Å; W600-W653 HydrophobicContact CZ3-CB 3.96Å; W600-W653 VanDerWaalsContact CZ3-O 3.29Å; W600-W653 WeakPolarHBondContact CZ3-O 3.46Å
601	M	98.4	Very high	93.9	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61.5	-41.4	178.7	-72.9	-179.7	-93.7	0	0	111.6	I541 W582 F593 S597 D598 A603 V604 C605	I541-M601 HydrophobicContact CB-CB 3.98Å; W582-M601 VanDerWaalsContact O-CG 3.31Å; W582-M601 WeakPolarHBondContact O-CG 2.89Å; F593-M601 HydrophobicContact CD1-CE 4.28Å; S597-M601 WeakPolarHBondContact O-CE 3.46Å; S597-M601 PolarHBondContact O-N 2.8Å; D598-M601 PolarHBondContact O-N 3.32Å; D598-M601 WeakPolarHBondContact OD1-CE 3.49Å; M601-A603 VanDerWaalsContact C-N 3.32Å; M601-A603 PolarHBondContact O-N 3.01Å; M601-V604 CarbonylContact O-C 3.6Å; M601-V604 WeakPolarHBondContact O-CA 3.45Å; M601-V604 WeakPolarHBondContact O-CB 3.46Å; M601-V604 PolarHBondContact O-N 2.9Å; M601-V604 VanDerWaalsContact O-N 3.1Å; M601-C605 PolarHBondContact O-N 2.65Å
602	F	98.8	Very high	95	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-59	-39.5	172.8	172	-115.6	0	0	0	112.8	S521 I524 C525 L528 I541 D598 W600 V604 C605 M606 F663 L666 I670	S521-F602 WeakPolarHBondContact O-CZ 3.43Å; I524-F602 HydrophobicContact CB-CE2 4.1Å; I524-F602 HydrophobicContact CG2-CD2 3.82Å; I524-F602 HydrophobicContact CG2-CE2 3.83Å; C525-F602 HydrophobicContact CB-CE1 4.01Å; C525-F602 HydrophobicContact CB-CE2 4.09Å; C525-F602 HydrophobicContact CB-CZ 3.49Å; C525-F602 VanDerWaalsContact CB-CZ 3.49Å; L528-F602 HydrophobicContact CD1-CB 3.73Å; L528-F602 HydrophobicContact CD1-CD2 3.5Å; L528-F602 HydrophobicContact CD1-CE2 4.31Å; L528-F602 HydrophobicContact CD1-CG 3.66Å; I541-F602 HydrophobicContact CG2-CB 4.31Å; D598-F602 VanDerWaalsContact O-CB 3.26Å; D598-F602 WeakPolarHBondContact O-CB 3.4Å; D598-F602 PolarHBondContact O-N 2.63Å; W600-F602 VanDerWaalsContact C-N 3.34Å; W600-F602 PolarHBondContact O-N 3.48Å; F602-V604 VanDerWaalsContact C-N 3.35Å; F602-C605 CarbonylContact O-C 3.5Å; F602-C605 WeakPolarHBondContact O-CB 3.26Å; F602-C605 PolarHBondContact O-N 3.28Å; F602-M606 HydrophobicContact CD1-CE 3.89Å; F602-M606 HydrophobicContact CD1-SD 4.41Å; F602-M606 HydrophobicContact CD2-CG 4.29Å; F602-M606 HydrophobicContact CE1-CE 3.48Å; F602-M606 VanDerWaalsContact CE1-CE 3.48Å; F602-M606 HydrophobicContact CE1-CG 3.97Å; F602-M606 HydrophobicContact CE1-SD 3.55Å; F602-M606 VanDerWaalsContact CE1-SD 3.55Å; F602-M606 HydrophobicContact CE2-CG 3.71Å; F602-M606 HydrophobicContact CE2-SD 4.27Å; F602-M606 HydrophobicContact CZ-CE 4.01Å; F602-M606 HydrophobicContact CZ-CG 3.51Å; F602-M606 HydrophobicContact CZ-SD 3.44Å; F602-M606 WeakPolarHBondContact CZ-SD 3.45Å; F602-M606 WeakPolarHBondContact O-CG 3.48Å; F602-M606 PolarHBondContact O-N 3.39Å; F602-F663 HydrophobicContact CB-CE1 3.8Å; F602-F663 HydrophobicContact CB-CZ 4.24Å; F602-F663 HydrophobicContact CD1-CD1 4.3Å; F602-F663 AromaticContact CD1-CE1 3.77Å; F602-F663 HydrophobicContact CD1-CE1 3.77Å; F602-F663 AromaticContact CG-CE1 3.87Å; F602-F663 HydrophobicContact CG-CE1 3.87Å; F602-L666 HydrophobicContact CD1-CD1 4.14Å; F602-L666 HydrophobicContact CE1-CD1 4.22Å; F602-I670 HydrophobicContact CE1-CD1 3.81Å; F602-I670 HydrophobicContact CZ-CD1 3.81Å
603	A	98.6	Very high	95.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-69.6	-30.5	174.9	0	0	0	0	0	113.4	V599 W600 M601 M606 W607 M649 C652 W653	V599-A603 PolarHBondContact O-N 3.13Å; V599-A603 VanDerWaalsContact O-N 3.1Å; W600-A603 PolarHBondContact O-N 3.02Å; W600-A603 VanDerWaalsContact O-N 3.13Å; M601-A603 VanDerWaalsContact C-N 3.32Å; M601-A603 PolarHBondContact O-N 3.01Å; A603-M606 HydrophobicContact CB-CE 4.08Å; A603-W607 PolarHBondContact O-N 2.92Å; A603-M649 HydrophobicContact CB-CB 4.49Å; A603-C652 HydrophobicContact CB-CB 3.32Å; A603-W653 HydrophobicContact CB-CZ2 4.37Å; A603-W653 WeakPolarHBondContact O-CZ2 3.45Å
604	V	98.6	Very high	96.4	Very high	1 Å²	1	15 Å²	15	1%	0.006	9%	0.092	C	C	.	.	H	α-helix	trans	-66	-43.2	167.2	-178.2	0	0	0	0	110.7	W582 W600 M601 F602 M606 W607 E608 P616 L635	W582-V604 HydrophobicContact CB-CG1 4.48Å; W582-V604 HydrophobicContact CG-CG1 4.12Å; W600-V604 PolarHBondContact O-N 3.46Å; W600-V604 VanDerWaalsContact O-N 3.08Å; M601-V604 CarbonylContact O-C 3.6Å; M601-V604 WeakPolarHBondContact O-CA 3.45Å; M601-V604 WeakPolarHBondContact O-CB 3.46Å; M601-V604 PolarHBondContact O-N 2.9Å; M601-V604 VanDerWaalsContact O-N 3.1Å; F602-V604 VanDerWaalsContact C-N 3.35Å; V604-M606 PolarHBondContact O-N 3.25Å; V604-W607 CarbonylContact O-C 3.58Å; V604-W607 WeakPolarHBondContact O-CA 3.38Å; V604-W607 VanDerWaalsContact O-CB 3.32Å; V604-W607 WeakPolarHBondContact O-CB 3.46Å; V604-W607 PolarHBondContact O-N 2.77Å; V604-E608 WeakPolarHBondContact O-CG 3.27Å; V604-E608 PolarHBondContact O-N 2.93Å; V604-P616 HydrophobicContact CG1-CB 3.63Å; V604-P616 HydrophobicContact CG1-CG 3.67Å; V604-L635 HydrophobicContact CG1-CD1 4.11Å; V604-L635 HydrophobicContact CG2-CD1 4.29Å
605	C	98.6	Very high	96.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.9	-41.1	175.2	-175.1	0	0	0	0	112.5	I541 M601 F602 W607 E608 I609	I541-C605 HydrophobicContact CG2-CB 4.04Å; M601-C605 PolarHBondContact O-N 2.65Å; F602-C605 CarbonylContact O-C 3.5Å; F602-C605 WeakPolarHBondContact O-CB 3.26Å; F602-C605 PolarHBondContact O-N 3.28Å; C605-W607 VanDerWaalsContact C-N 3.28Å; C605-W607 PolarHBondContact O-N 2.96Å; C605-E608 WeakPolarHBondContact O-CB 3.49Å; C605-E608 PolarHBondContact O-N 2.87Å; C605-I609 VanDerWaalsContact O-CG1 3.28Å; C605-I609 WeakPolarHBondContact O-CG1 3.47Å; C605-I609 PolarHBondContact O-N 3.17Å
606	M	98.6	Very high	96.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.6	-37	170.9	-69.9	-166.3	-73	0	0	111.9	F602 A603 V604 I609 M610 L645 M649 I670	F602-M606 HydrophobicContact CD1-CE 3.89Å; F602-M606 HydrophobicContact CD1-SD 4.41Å; F602-M606 HydrophobicContact CD2-CG 4.29Å; F602-M606 HydrophobicContact CE1-CE 3.48Å; F602-M606 VanDerWaalsContact CE1-CE 3.48Å; F602-M606 HydrophobicContact CE1-CG 3.97Å; F602-M606 HydrophobicContact CE1-SD 3.55Å; F602-M606 VanDerWaalsContact CE1-SD 3.55Å; F602-M606 HydrophobicContact CE2-CG 3.71Å; F602-M606 HydrophobicContact CE2-SD 4.27Å; F602-M606 HydrophobicContact CZ-CE 4.01Å; F602-M606 HydrophobicContact CZ-CG 3.51Å; F602-M606 HydrophobicContact CZ-SD 3.44Å; F602-M606 WeakPolarHBondContact CZ-SD 3.45Å; F602-M606 WeakPolarHBondContact O-CG 3.48Å; F602-M606 PolarHBondContact O-N 3.39Å; A603-M606 HydrophobicContact CB-CE 4.08Å; V604-M606 PolarHBondContact O-N 3.25Å; M606-I609 PolarHBondContact O-N 3.03Å; M606-M610 VanDerWaalsContact O-CG 3.3Å; M606-M610 WeakPolarHBondContact O-CG 3.5Å; M606-M610 PolarHBondContact O-N 2.79Å; M606-L645 HydrophobicContact SD-CD1 4.05Å; M606-M649 HydrophobicContact CB-CE 3.95Å; M606-M649 HydrophobicContact CB-CG 4.49Å; M606-M649 HydrophobicContact CE-CG 4.22Å; M606-I670 HydrophobicContact CE-CD1 4.43Å; M606-I670 HydrophobicContact SD-CD1 3.64Å; M606-I670 HydrophobicContact SD-CG1 4.45Å
607	W	98.6	Very high	96.7	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.008	8%	0.079	C	C	.	.	H	α-helix	trans	-65.1	-45.1	174.5	-177.8	92.9	0	0	0	111.6	A603 V604 C605 I609 M610 S611 Q614 P616 L635 P636 P638 M649 W653	A603-W607 PolarHBondContact O-N 2.92Å; V604-W607 CarbonylContact O-C 3.58Å; V604-W607 WeakPolarHBondContact O-CA 3.38Å; V604-W607 VanDerWaalsContact O-CB 3.32Å; V604-W607 WeakPolarHBondContact O-CB 3.46Å; V604-W607 PolarHBondContact O-N 2.77Å; C605-W607 VanDerWaalsContact C-N 3.28Å; C605-W607 PolarHBondContact O-N 2.96Å; W607-I609 VanDerWaalsContact C-N 3.32Å; W607-I609 PolarHBondContact O-N 2.94Å; W607-M610 CarbonylContact O-C 3.55Å; W607-M610 PolarHBondContact O-N 3.22Å; W607-S611 WeakPolarHBondContact O-CB 3.29Å; W607-S611 PolarHBondContact O-N 2.93Å; W607-S611 PolarHBondContact O-OG 2.78Å; W607-Q614 HydrophobicContact CH2-CB 4.17Å; W607-Q614 HydrophobicContact CH2-CG 4.11Å; W607-Q614 VanDerWaalsContact CH2-OE1 3.26Å; W607-Q614 HydrophobicContact CZ3-CB 4.32Å; W607-Q614 VanDerWaalsContact CZ3-O 3.3Å; W607-Q614 WeakPolarHBondContact CZ3-O 3.33Å; W607-P616 HydrophobicContact CE3-CB 4.25Å; W607-P616 HydrophobicContact CZ3-CB 4.14Å; W607-L635 HydrophobicContact CB-CD1 4.2Å; W607-L635 HydrophobicContact CD2-CB 4.15Å; W607-L635 HydrophobicContact CD2-CD1 3.78Å; W607-L635 HydrophobicContact CD2-CG 4.37Å; W607-L635 HydrophobicContact CE3-CD1 4Å; W607-L635 HydrophobicContact CG-CB 4.12Å; W607-L635 HydrophobicContact CG-CD1 3.85Å; W607-L635 HydrophobicContact CH2-CD2 4.47Å; W607-L635 HydrophobicContact CZ2-CB 4.5Å; W607-L635 HydrophobicContact CZ2-CD2 4.36Å; W607-P636 PolarHBondContact NE1-O 3.42Å; W607-P638 HydrophobicContact CG-CG 4.24Å; W607-M649 HydrophobicContact CB-SD 4.16Å; W607-W653 HydrophobicContact CB-CH2 4.06Å; W607-W653 HydrophobicContact CB-CZ2 3.98Å; W607-W653 AromaticContact CD1-CH2 3.91Å; W607-W653 HydrophobicContact CG-CH2 4.2Å; W607-W653 HydrophobicContact CG-CZ2 4.49Å
608	E	98.2	Very high	96.5	Very high	7 Å²	7	20.2 Å²	20.2	3%	0.033	10%	0.103	C	C	.	.	H	α-helix	trans	-58.4	-39.9	174.5	-69.8	-178.5	123.7	0	0	112.7	V543 W582 V604 C605 S611 Q612 G613	V543-E608 HydrophobicContact CB-CB 4.44Å; V543-E608 HydrophobicContact CG1-CB 3.57Å; V543-E608 HydrophobicContact CG2-CB 4.01Å; V543-E608 HydrophobicContact CG2-CG 4.45Å; V543-E608 PolarHBondContact N-OE2 3.18Å; V543-E608 VanDerWaalsContact N-OE2 3.11Å; W582-E608 VanDerWaalsContact CE2-OE1 3.3Å; W582-E608 VanDerWaalsContact CZ2-OE1 3.25Å; W582-E608 WeakPolarHBondContact CZ2-OE1 3.39Å; W582-E608 PolarHBondContact NE1-OE1 3.05Å; W582-E608 PolarHBondContact NE1-OE2 3.07Å; V604-E608 WeakPolarHBondContact O-CG 3.27Å; V604-E608 PolarHBondContact O-N 2.93Å; C605-E608 WeakPolarHBondContact O-CB 3.49Å; C605-E608 PolarHBondContact O-N 2.87Å; E608-S611 WeakPolarHBondContact CA-OG 3.46Å; E608-S611 PolarHBondContact O-OG 3.26Å; E608-Q612 PolarHBondContact O-N 3.12Å; E608-G613 PolarHBondContact O-N 3.41Å
609	I	98.3	Very high	96.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.7	-47.3	176.1	-68.3	167.7	0	0	0	110.5	L501 L505 L517 F520 I524 V543 C605 M606 W607 S611 Q612	L501-I609 HydrophobicContact CD2-CD1 4.05Å; L501-I609 HydrophobicContact CD2-CG1 4.03Å; L505-I609 HydrophobicContact CD1-CG1 4.37Å; L517-I609 HydrophobicContact CB-CG2 3.88Å; L517-I609 HydrophobicContact CD2-CG2 3.97Å; L517-I609 HydrophobicContact CG-CG2 4.49Å; L517-I609 WeakPolarHBondContact O-CG2 3.4Å; F520-I609 HydrophobicContact CB-CD1 4.43Å; I524-I609 HydrophobicContact CD1-CD1 3.56Å; V543-I609 HydrophobicContact CG1-CD1 4.37Å; V543-I609 HydrophobicContact CG1-CG1 3.59Å; C605-I609 VanDerWaalsContact O-CG1 3.28Å; C605-I609 WeakPolarHBondContact O-CG1 3.47Å; C605-I609 PolarHBondContact O-N 3.17Å; M606-I609 PolarHBondContact O-N 3.03Å; W607-I609 VanDerWaalsContact C-N 3.32Å; W607-I609 PolarHBondContact O-N 2.94Å; I609-S611 VanDerWaalsContact C-N 3.34Å; I609-S611 PolarHBondContact O-N 3.12Å; I609-Q612 PolarHBondContact O-N 2.87Å
610	M	97.8	Very high	95.4	Very high	6 Å²	6	26.9 Å²	26.9	3%	0.03	13%	0.13	C	C	.	.	H	α-helix	trans	-75.7	-19.3	-179	-62.6	-51.5	-53.3	0	0	113.8	L517 V518 M606 W607 Q612 P638 C641 L645 M649	L517-M610 HydrophobicContact CB-CE 4.11Å; L517-M610 HydrophobicContact CB-SD 3.5Å; L517-M610 WeakPolarHBondContact CB-SD 3.37Å; L517-M610 HydrophobicContact CD1-CE 4.07Å; L517-M610 HydrophobicContact CD1-SD 4.28Å; V518-M610 HydrophobicContact CG2-SD 4.49Å; M606-M610 VanDerWaalsContact O-CG 3.3Å; M606-M610 WeakPolarHBondContact O-CG 3.5Å; M606-M610 PolarHBondContact O-N 2.79Å; W607-M610 CarbonylContact O-C 3.55Å; W607-M610 PolarHBondContact O-N 3.22Å; M610-Q612 VanDerWaalsContact C-N 3.32Å; M610-P638 HydrophobicContact CB-CB 4.24Å; M610-P638 HydrophobicContact CB-CG 4.05Å; M610-P638 WeakPolarHBondContact O-CB 3.19Å; M610-C641 HydrophobicContact CB-CB 4.2Å; M610-C641 HydrophobicContact CE-CB 4.12Å; M610-L645 HydrophobicContact CG-CD2 3.66Å; M610-L645 HydrophobicContact SD-CD2 3.81Å; M610-M649 HydrophobicContact CB-CE 4.31Å; M610-M649 HydrophobicContact CG-CE 3.82Å
611	S	95.9	Very high	94.4	Very high	22 Å²	22	31.7 Å²	31.7	15%	0.154	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	12	169.4	68.1	0	0	0	0	113.1	W607 E608 I609 G613 Q614	W607-S611 WeakPolarHBondContact O-CB 3.29Å; W607-S611 PolarHBondContact O-N 2.93Å; W607-S611 PolarHBondContact O-OG 2.78Å; E608-S611 WeakPolarHBondContact CA-OG 3.46Å; E608-S611 PolarHBondContact O-OG 3.26Å; I609-S611 VanDerWaalsContact C-N 3.34Å; I609-S611 PolarHBondContact O-N 3.12Å; S611-G613 VanDerWaalsContact C-N 3.3Å; S611-G613 PolarHBondContact O-N 3.18Å; S611-Q614 PolarHBondContact O-N 3.32Å; S611-Q614 WeakPolarHBondContact OG-CB 3.2Å
612	Q	94.2	Very high	93.4	Very high	53 Å²	53	35.4 Å²	35.4	25%	0.248	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	38.6	176.1	-52.9	-172.6	-53.2	0	0	114.8	T506 Q509 L517 E608 I609 M610	T506-Q612 PolarHBondContact OG1-O 2.94Å; Q509-Q612 HydrophobicContact CG-CB 4.01Å; Q509-Q612 PolarHBondContact O-NE2 3.48Å; L517-Q612 HydrophobicContact CD1-CG 4.48Å; E608-Q612 PolarHBondContact O-N 3.12Å; I609-Q612 PolarHBondContact O-N 2.87Å; M610-Q612 VanDerWaalsContact C-N 3.32Å
613	G	92.9	Very high	92.3	Very high	27 Å²	27	43.2 Å²	43.2	28%	0.278	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.9	10.6	176.2	0	0	0	0	0	115.3	E608 S611	E608-G613 PolarHBondContact O-N 3.41Å; S611-G613 VanDerWaalsContact C-N 3.3Å; S611-G613 PolarHBondContact O-N 3.18Å
614	Q	94.1	Very high	91.5	Very high	85 Å²	85	45.7 Å²	45.7	40%	0.397	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-66.3	138.7	175.1	-168.5	177.1	61	0	0	111.1	W607 S611 F618	W607-Q614 HydrophobicContact CH2-CB 4.17Å; W607-Q614 HydrophobicContact CH2-CG 4.11Å; W607-Q614 VanDerWaalsContact CH2-OE1 3.26Å; W607-Q614 HydrophobicContact CZ3-CB 4.32Å; W607-Q614 VanDerWaalsContact CZ3-O 3.3Å; W607-Q614 WeakPolarHBondContact CZ3-O 3.33Å; S611-Q614 PolarHBondContact O-N 3.32Å; S611-Q614 WeakPolarHBondContact OG-CB 3.2Å; Q614-F618 HydrophobicContact CG-CD1 3.92Å; Q614-F618 HydrophobicContact CG-CE1 4.23Å
615	Q	93	Very high	90.8	Very high	93 Å²	93	45.7 Å²	45.7	44%	0.435	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-67.8	132.3	176	-175.6	-174.5	105.9	0	0	111.1	K581 W582 F617 F618	K581-Q615 HydrophobicContact CD-CG 4.48Å; W582-Q615 HydrophobicContact CH2-CG 4.16Å; Q615-F617 PolarHBondContact O-N 3.37Å; Q615-F618 HydrophobicContact CB-CB 4.26Å; Q615-F618 PolarHBondContact O-N 2.93Å
616	P	94.4	Very high	90.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	136.8	174.6	26.4	-34.7	0	0	0	110.7	K581 W582 V604 W607 F618 L635	K581-P616 HydrophobicContact CB-CG 4.24Å; K581-P616 WeakPolarHBondContact CD-O 3.26Å; W582-P616 HydrophobicContact CD2-CG 3.96Å; W582-P616 HydrophobicContact CG-CG 4.38Å; W582-P616 HydrophobicContact CH2-CG 4.34Å; W582-P616 HydrophobicContact CZ2-CG 3.78Å; V604-P616 HydrophobicContact CG1-CB 3.63Å; V604-P616 HydrophobicContact CG1-CG 3.67Å; W607-P616 HydrophobicContact CE3-CB 4.25Å; W607-P616 HydrophobicContact CZ3-CB 4.14Å; P616-F618 VanDerWaalsContact C-N 3.27Å; P616-F618 PolarHBondContact O-N 3.42Å; P616-L635 HydrophobicContact CB-CD1 3.82Å; P616-L635 HydrophobicContact CB-CD2 3.93Å
617	F	92.5	Very high	89.4	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.018	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	41.2	-177.6	-52.8	-75.6	0	0	0	113.5	K581 Q615 W619 L620 V625 L629 L635	K581-F617 HydrophobicContact CB-CD2 4.48Å; K581-F617 HydrophobicContact CG-CB 4.47Å; K581-F617 PolarHBondContact NZ-O 3.23Å; Q615-F617 PolarHBondContact O-N 3.37Å; F617-W619 HydrophobicContact CD1-CH2 4.12Å; F617-W619 AromaticContact CD1-CZ2 3.77Å; F617-W619 HydrophobicContact CD1-CZ2 3.77Å; F617-W619 HydrophobicContact CE1-CZ2 4.45Å; F617-W619 PolarHBondContact O-N 3.37Å; F617-W619 VanDerWaalsContact O-N 3.07Å; F617-L620 HydrophobicContact CB-CB 4.27Å; F617-L620 HydrophobicContact CB-CD1 4.1Å; F617-L620 HydrophobicContact CB-CG 4.33Å; F617-L620 HydrophobicContact CD1-CD1 3.89Å; F617-L620 HydrophobicContact CG-CD1 4.28Å; F617-L620 PolarHBondContact O-N 3.32Å; F617-V625 HydrophobicContact CB-CG2 4.44Å; F617-V625 HydrophobicContact CD2-CG1 4.21Å; F617-V625 HydrophobicContact CE2-CG1 4.34Å; F617-L629 HydrophobicContact CE1-CD2 4.41Å; F617-L629 HydrophobicContact CE2-CD2 4.33Å; F617-L629 HydrophobicContact CZ-CD2 3.67Å; F617-L635 HydrophobicContact CD1-CD2 3.73Å; F617-L635 HydrophobicContact CD2-CD2 3.74Å; F617-L635 HydrophobicContact CD2-CG 4.38Å; F617-L635 HydrophobicContact CE1-CD2 3.69Å; F617-L635 HydrophobicContact CE1-CG 4.04Å; F617-L635 HydrophobicContact CE2-CD1 4.26Å; F617-L635 HydrophobicContact CE2-CD2 3.71Å; F617-L635 HydrophobicContact CE2-CG 3.84Å; F617-L635 HydrophobicContact CG-CD2 3.75Å; F617-L635 HydrophobicContact CZ-CD1 4.48Å; F617-L635 HydrophobicContact CZ-CD2 3.68Å; F617-L635 HydrophobicContact CZ-CG 3.64Å; F617-L635 VanDerWaalsContact N-CD2 3.33Å
618	F	90.8	Very high	88.9	Confident	114 Å²	114	52.5 Å²	52.5	50%	0.5	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-26.1	-179.6	69.6	-94.8	0	0	0	113.4	Q614 Q615 P616 L620	Q614-F618 HydrophobicContact CG-CD1 3.92Å; Q614-F618 HydrophobicContact CG-CE1 4.23Å; Q615-F618 HydrophobicContact CB-CB 4.26Å; Q615-F618 PolarHBondContact O-N 2.93Å; P616-F618 VanDerWaalsContact C-N 3.27Å; P616-F618 PolarHBondContact O-N 3.42Å; F618-L620 VanDerWaalsContact C-N 3.33Å; F618-L620 PolarHBondContact O-N 3.25Å
619	W	90.6	Very high	88.5	Confident	118 Å²	118	52.2 Å²	52.2	45%	0.447	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	2.1	177.4	65.6	93.5	0	0	0	115.1	F617 L635 P636	F617-W619 HydrophobicContact CD1-CH2 4.12Å; F617-W619 AromaticContact CD1-CZ2 3.77Å; F617-W619 HydrophobicContact CD1-CZ2 3.77Å; F617-W619 HydrophobicContact CE1-CZ2 4.45Å; F617-W619 PolarHBondContact O-N 3.37Å; F617-W619 VanDerWaalsContact O-N 3.07Å; W619-L635 HydrophobicContact CH2-CD2 4.02Å; W619-P636 HydrophobicContact CH2-CG 4.46Å
620	L	83	Confident	87.9	Confident	30 Å²	30	53.5 Å²	53.5	16%	0.157	25%	0.254	C	S	.	.	S	Bend	trans	-120.3	148.5	179.5	-59.1	-179.4	0	0	0	112.4	K581 F617 F618 V625 Q628	K581-L620 WeakPolarHBondContact CE-O 3.34Å; K581-L620 PolarHBondContact NZ-O 3.22Å; F617-L620 HydrophobicContact CB-CB 4.27Å; F617-L620 HydrophobicContact CB-CD1 4.1Å; F617-L620 HydrophobicContact CB-CG 4.33Å; F617-L620 HydrophobicContact CD1-CD1 3.89Å; F617-L620 HydrophobicContact CG-CD1 4.28Å; F617-L620 PolarHBondContact O-N 3.32Å; F618-L620 VanDerWaalsContact C-N 3.33Å; F618-L620 PolarHBondContact O-N 3.25Å; L620-V625 HydrophobicContact CB-CG2 4.27Å; L620-V625 HydrophobicContact CD1-CG2 4.37Å; L620-Q628 HydrophobicContact CD1-CB 4.19Å; L620-Q628 HydrophobicContact CD1-CG 3.8Å; L620-Q628 HydrophobicContact CD2-CG 4.4Å
621	E	76.9	Confident	87.5	Confident	104 Å²	104	59.6 Å²	59.6	49%	0.486	28%	0.282	S	S	.	.			trans	-76.2	152.6	159.6	-69.4	-174.2	-137.8	0	0	111	R623 D624 V625	E621-R623 HydrophobicContact CB-CG 4.27Å; E621-R623 VanDerWaalsContact CD-CZ 3.4Å; E621-R623 PolarHBondContact O-N 3.39Å; E621-R623 VanDerWaalsContact O-N 3.11Å; E621-R623 IonicContact OE1-CZ 3.74Å; E621-R623 IonicContact OE1-NH1 3.19Å; E621-R623 IonicContact OE1-NH2 3.93Å; E621-R623 PolarHBondContact OE1-NH2 2.92Å; E621-R623 IonicContact OE2-CZ 2.7Å; E621-R623 IonicContact OE2-NE 3.57Å; E621-R623 PolarHBondContact OE2-NE 2.82Å; E621-R623 IonicContact OE2-NH1 3.66Å; E621-R623 PolarHBondContact OE2-NH1 2.71Å; E621-R623 IonicContact OE2-NH2 2.71Å; E621-R623 PolarHBondContact OE2-NH2 3.11Å; E621-R623 VanDerWaalsContact OE2-NH2 3.11Å; E621-D624 PolarHBondContact O-N 3.46Å; E621-V625 PolarHBondContact O-N 3.49Å
622	N	77.9	Confident	87.2	Confident	78 Å²	78	60.9 Å²	60.9	42%	0.417	30%	0.299	S	S	.	.	H	α-helix	trans	-55.2	-33.7	-177.9	-71.7	-2.4	0	0	0	113.8	I580 K581 D624	I580-N622 HydrophobicContact CB-CB 4.12Å; I580-N622 HydrophobicContact CG1-CB 4.37Å; I580-N622 HydrophobicContact CG2-CB 4.33Å; I580-N622 WeakPolarHBondContact CG2-O 3.32Å; K581-N622 VanDerWaalsContact CE-OD1 3.22Å; K581-N622 WeakPolarHBondContact CE-OD1 3.36Å; N622-D624 VanDerWaalsContact C-N 3.26Å; N622-D624 PolarHBondContact O-N 3.13Å
623	R	75.1	Confident	87.1	Confident	163 Å²	163	62.1 Å²	62.1	62%	0.615	31%	0.306	S	S	*	.	H	α-helix	trans	-66.8	-26	179.6	71.9	-175	179.6	-142	-10.3	113.4	E621	E621-R623 HydrophobicContact CB-CG 4.27Å; E621-R623 VanDerWaalsContact CD-CZ 3.4Å; E621-R623 PolarHBondContact O-N 3.39Å; E621-R623 VanDerWaalsContact O-N 3.11Å; E621-R623 IonicContact OE1-CZ 3.74Å; E621-R623 IonicContact OE1-NH1 3.19Å; E621-R623 IonicContact OE1-NH2 3.93Å; E621-R623 PolarHBondContact OE1-NH2 2.92Å; E621-R623 IonicContact OE2-CZ 2.7Å; E621-R623 IonicContact OE2-NE 3.57Å; E621-R623 PolarHBondContact OE2-NE 2.82Å; E621-R623 IonicContact OE2-NH1 3.66Å; E621-R623 PolarHBondContact OE2-NH1 2.71Å; E621-R623 IonicContact OE2-NH2 2.71Å; E621-R623 PolarHBondContact OE2-NH2 3.11Å; E621-R623 VanDerWaalsContact OE2-NH2 3.11Å
624	D	82.1	Confident	87.2	Confident	53 Å²	53	63.2 Å²	63.2	28%	0.283	30%	0.302	S	S	.	.	H	α-helix	trans	-95.6	-19.5	-172	-64.2	-58.4	0	0	0	112.5	E621 N622 I626 N627 Q628	E621-D624 PolarHBondContact O-N 3.46Å; N622-D624 VanDerWaalsContact C-N 3.26Å; N622-D624 PolarHBondContact O-N 3.13Å; D624-I626 VanDerWaalsContact C-N 3.34Å; D624-I626 PolarHBondContact O-N 3.27Å; D624-N627 PolarHBondContact O-N 3.32Å; D624-Q628 WeakPolarHBondContact O-CG 3.41Å; D624-Q628 PolarHBondContact O-N 3.16Å
625	V	84.3	Confident	87.4	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-52.3	-48.9	177.4	177.1	0	0	0	0	111.7	I580 K581 F617 L620 E621 N627 Q628 L629	I580-V625 HydrophobicContact CG2-CB 4.35Å; K581-V625 HydrophobicContact CG-CG2 3.91Å; F617-V625 HydrophobicContact CB-CG2 4.44Å; F617-V625 HydrophobicContact CD2-CG1 4.21Å; F617-V625 HydrophobicContact CE2-CG1 4.34Å; L620-V625 HydrophobicContact CB-CG2 4.27Å; L620-V625 HydrophobicContact CD1-CG2 4.37Å; E621-V625 PolarHBondContact O-N 3.49Å; V625-N627 PolarHBondContact O-N 3.41Å; V625-Q628 PolarHBondContact O-N 3.03Å; V625-L629 HydrophobicContact CG1-CD1 3.84Å; V625-L629 HydrophobicContact CG1-CG 4.15Å; V625-L629 WeakPolarHBondContact O-CG 3.17Å; V625-L629 PolarHBondContact O-N 2.72Å
626	I	84.9	Confident	87.5	Confident	16 Å²	16	58.2 Å²	58.2	8%	0.082	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-46	-177	-170.9	58.5	0	0	0	111.4	P585 I588 D624 Q628 L629 E630	P585-I626 HydrophobicContact CB-CD1 4.13Å; I588-I626 HydrophobicContact CB-CD1 4.22Å; I588-I626 HydrophobicContact CD1-CD1 4.22Å; I588-I626 HydrophobicContact CG2-CB 4.2Å; I588-I626 HydrophobicContact CG2-CD1 4.12Å; I588-I626 HydrophobicContact CG2-CG1 4.15Å; D624-I626 VanDerWaalsContact C-N 3.34Å; D624-I626 PolarHBondContact O-N 3.27Å; I626-Q628 PolarHBondContact O-N 2.97Å; I626-L629 PolarHBondContact O-N 2.74Å; I626-E630 HydrophobicContact CD1-CG 4.08Å; I626-E630 HydrophobicContact CG1-CG 4.22Å; I626-E630 VanDerWaalsContact O-CB 3.28Å; I626-E630 WeakPolarHBondContact O-CB 3.28Å; I626-E630 WeakPolarHBondContact O-CG 3.4Å; I626-E630 PolarHBondContact O-N 2.99Å
627	N	81.4	Confident	87.7	Confident	68 Å²	68	62.9 Å²	62.9	36%	0.364	31%	0.305	S	S	.	.	H	α-helix	trans	-58.7	-36	179	-64.3	-46.2	0	0	0	112.2	D624 V625 Q631	D624-N627 PolarHBondContact O-N 3.32Å; V625-N627 PolarHBondContact O-N 3.41Å; N627-Q631 VanDerWaalsContact O-CG 3.3Å; N627-Q631 WeakPolarHBondContact O-CG 3.35Å; N627-Q631 PolarHBondContact O-N 3.18Å; N627-Q631 PolarHBondContact O-NE2 3.41Å
628	Q	88.9	Confident	87.8	Confident	61 Å²	61	63.2 Å²	63.2	29%	0.285	31%	0.308	S	S	.	.	H	α-helix	trans	-73.8	-48	177.5	-65	-66	-24.6	0	0	111.8	L620 D624 V625 I626 E630 Q631 G632 I633	L620-Q628 HydrophobicContact CD1-CB 4.19Å; L620-Q628 HydrophobicContact CD1-CG 3.8Å; L620-Q628 HydrophobicContact CD2-CG 4.4Å; D624-Q628 WeakPolarHBondContact O-CG 3.41Å; D624-Q628 PolarHBondContact O-N 3.16Å; V625-Q628 PolarHBondContact O-N 3.03Å; I626-Q628 PolarHBondContact O-N 2.97Å; Q628-E630 PolarHBondContact O-N 2.76Å; Q628-Q631 PolarHBondContact O-N 3.17Å; Q628-Q631 VanDerWaalsContact O-N 3.11Å; Q628-G632 PolarHBondContact O-N 3.29Å; Q628-I633 HydrophobicContact CB-CB 4.27Å; Q628-I633 WeakPolarHBondContact O-CB 3.47Å; Q628-I633 PolarHBondContact O-N 3.47Å; Q628-I633 VanDerWaalsContact O-N 3.09Å
629	L	90.1	Very high	87.7	Confident	2 Å²	2	66 Å²	66	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-57.3	-35.6	175	-69	179.6	0	0	0	112	P585 I588 W600 F617 V625 I626 G632 R634	P585-L629 HydrophobicContact CG-CD1 4.39Å; I588-L629 HydrophobicContact CD1-CD1 4.41Å; W600-L629 HydrophobicContact CH2-CD1 4.34Å; W600-L629 HydrophobicContact CH2-CD2 3.95Å; W600-L629 HydrophobicContact CZ2-CD1 3.74Å; W600-L629 HydrophobicContact CZ2-CD2 3.64Å; W600-L629 HydrophobicContact CZ2-CG 4.26Å; F617-L629 HydrophobicContact CE1-CD2 4.41Å; F617-L629 HydrophobicContact CE2-CD2 4.33Å; F617-L629 HydrophobicContact CZ-CD2 3.67Å; V625-L629 HydrophobicContact CG1-CD1 3.84Å; V625-L629 HydrophobicContact CG1-CG 4.15Å; V625-L629 WeakPolarHBondContact O-CG 3.17Å; V625-L629 PolarHBondContact O-N 2.72Å; I626-L629 PolarHBondContact O-N 2.74Å; L629-G632 PolarHBondContact O-N 2.9Å; L629-R634 PolarHBondContact O-NH1 2.66Å
630	E	85.4	Confident	87.6	Confident	26 Å²	26	66.9 Å²	66.9	12%	0.121	34%	0.336	C	S	.	.	H	α-helix	trans	-74.8	-23.2	179.2	-76.6	-159.7	98.3	0	0	115.2	N189 K195 I626 Q628 Y655	N189-E630 PolarHBondContact ND2-OE1 2.89Å; N189-E630 PolarHBondContact ND2-OE2 2.55Å; K195-E630 VanDerWaalsContact NZ-CB 3.26Å; K195-E630 PolarHBondContact NZ-O 3.26Å; K195-E630 IonicContact NZ-OE1 3.47Å; K195-E630 PolarHBondContact NZ-OE1 3.35Å; I626-E630 HydrophobicContact CD1-CG 4.08Å; I626-E630 HydrophobicContact CG1-CG 4.22Å; I626-E630 VanDerWaalsContact O-CB 3.28Å; I626-E630 WeakPolarHBondContact O-CB 3.28Å; I626-E630 WeakPolarHBondContact O-CG 3.4Å; I626-E630 PolarHBondContact O-N 2.99Å; Q628-E630 PolarHBondContact O-N 2.76Å; E630-Y655 HydrophobicContact CG-CE2 4Å
631	Q	88.1	Confident	88.2	Confident	134 Å²	134	65.5 Å²	65.5	63%	0.626	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-2.8	169.8	-72.6	166.9	58.5	0	0	112.5	N627 Q628 I633	N627-Q631 VanDerWaalsContact O-CG 3.3Å; N627-Q631 WeakPolarHBondContact O-CG 3.35Å; N627-Q631 PolarHBondContact O-N 3.18Å; N627-Q631 PolarHBondContact O-NE2 3.41Å; Q628-Q631 PolarHBondContact O-N 3.17Å; Q628-Q631 VanDerWaalsContact O-N 3.11Å; Q631-I633 HydrophobicContact CB-CG1 4.41Å
632	G	89.9	Confident	89.2	Confident	49 Å²	49	60.7 Å²	60.7	51%	0.505	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	0	-177.5	0	0	0	0	0	114.5	Q628 L629	Q628-G632 PolarHBondContact O-N 3.29Å; L629-G632 PolarHBondContact O-N 2.9Å
633	I	92.6	Very high	90	Very high	79 Å²	79	61.6 Å²	61.6	41%	0.405	32%	0.316	S	S	.	.			trans	-66.1	142.8	175.3	-53.9	-57.1	0	0	0	109.8	Q628 Q631	Q628-I633 HydrophobicContact CB-CB 4.27Å; Q628-I633 WeakPolarHBondContact O-CB 3.47Å; Q628-I633 PolarHBondContact O-N 3.47Å; Q628-I633 VanDerWaalsContact O-N 3.09Å; Q631-I633 HydrophobicContact CB-CG1 4.41Å
634	R	95.8	Very high	91	Very high	51 Å²	51	55.9 Å²	55.9	19%	0.192	30%	0.304	C	S	.	.			trans	-137.9	169.8	-179.2	-64.7	-61.1	-178.1	-92.1	4	110.1	L629 W653	L629-R634 PolarHBondContact O-NH1 2.66Å; R634-W653 HydrophobicContact CB-CE3 4.08Å; R634-W653 HydrophobicContact CG-CB 4.43Å; R634-W653 HydrophobicContact CG-CE3 4.41Å; R634-W653 PolarHBondContact NE-O 3.44Å; R634-W653 PolarHBondContact NH2-O 2.93Å
635	L	96.7	Very high	91.8	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.01	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-62.8	135.8	173.1	-64.1	168.3	0	0	0	109.7	V604 W607 P616 F617 W619 Y646 W653	V604-L635 HydrophobicContact CG1-CD1 4.11Å; V604-L635 HydrophobicContact CG2-CD1 4.29Å; W607-L635 HydrophobicContact CB-CD1 4.2Å; W607-L635 HydrophobicContact CD2-CB 4.15Å; W607-L635 HydrophobicContact CD2-CD1 3.78Å; W607-L635 HydrophobicContact CD2-CG 4.37Å; W607-L635 HydrophobicContact CE3-CD1 4Å; W607-L635 HydrophobicContact CG-CB 4.12Å; W607-L635 HydrophobicContact CG-CD1 3.85Å; W607-L635 HydrophobicContact CH2-CD2 4.47Å; W607-L635 HydrophobicContact CZ2-CB 4.5Å; W607-L635 HydrophobicContact CZ2-CD2 4.36Å; P616-L635 HydrophobicContact CB-CD1 3.82Å; P616-L635 HydrophobicContact CB-CD2 3.93Å; F617-L635 HydrophobicContact CD1-CD2 3.73Å; F617-L635 HydrophobicContact CD2-CD2 3.74Å; F617-L635 HydrophobicContact CD2-CG 4.38Å; F617-L635 HydrophobicContact CE1-CD2 3.69Å; F617-L635 HydrophobicContact CE1-CG 4.04Å; F617-L635 HydrophobicContact CE2-CD1 4.26Å; F617-L635 HydrophobicContact CE2-CD2 3.71Å; F617-L635 HydrophobicContact CE2-CG 3.84Å; F617-L635 HydrophobicContact CG-CD2 3.75Å; F617-L635 HydrophobicContact CZ-CD1 4.48Å; F617-L635 HydrophobicContact CZ-CD2 3.68Å; F617-L635 HydrophobicContact CZ-CG 3.64Å; F617-L635 VanDerWaalsContact N-CD2 3.33Å; W619-L635 HydrophobicContact CH2-CD2 4.02Å; L635-Y646 PolarHBondContact O-OH 3.42Å; L635-Y646 VanDerWaalsContact O-OH 3.13Å; L635-W653 HydrophobicContact CB-CH2 3.8Å; L635-W653 HydrophobicContact CB-CZ2 4.35Å; L635-W653 HydrophobicContact CB-CZ3 4.17Å; L635-W653 HydrophobicContact CD1-CH2 4.18Å; L635-W653 HydrophobicContact CD1-CZ2 3.89Å; L635-W653 HydrophobicContact CG-CH2 4.49Å
636	P	96.6	Very high	92.5	Very high	70 Å²	70	55.9 Å²	55.9	46%	0.455	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-71	157.2	-179.3	30.9	-35.7	0	0	0	111.3	W607 W619 P638	W607-P636 PolarHBondContact NE1-O 3.42Å; W619-P636 HydrophobicContact CH2-CG 4.46Å; P636-P638 WeakPolarHBondContact O-CD 3.43Å
637	K	97.4	Very high	93.1	Very high	99 Å²	99	58.5 Å²	58.5	43%	0.43	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-57.8	121.2	173.7	172.8	-180	153.6	58.5	0	110.7	C641 Y646	K637-C641 PolarHBondContact NZ-O 3.27Å; K637-Y646 HydrophobicContact CB-CD1 3.95Å; K637-Y646 HydrophobicContact CB-CD2 3.94Å; K637-Y646 HydrophobicContact CB-CE1 3.83Å; K637-Y646 HydrophobicContact CB-CE2 3.83Å; K637-Y646 HydrophobicContact CB-CG 3.99Å; K637-Y646 HydrophobicContact CD-CD1 4.38Å; K637-Y646 HydrophobicContact CG-CD1 4.24Å; K637-Y646 HydrophobicContact CG-CD2 4.34Å; K637-Y646 HydrophobicContact CG-CG 4.1Å; K637-Y646 PolarHBondContact N-OH 2.68Å
638	P	95.6	Very high	93.8	Very high	11 Å²	11	56 Å²	56	7%	0.071	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-62.9	153.8	173.5	-22	33.7	0	0	0	112.2	W607 M610 P636 C641	W607-P638 HydrophobicContact CG-CG 4.24Å; M610-P638 HydrophobicContact CB-CB 4.24Å; M610-P638 HydrophobicContact CB-CG 4.05Å; M610-P638 WeakPolarHBondContact O-CB 3.19Å; P636-P638 WeakPolarHBondContact O-CD 3.43Å; P638-C641 HydrophobicContact CB-CB 4.06Å; P638-C641 HydrophobicContact CG-CB 4.41Å; P638-C641 WeakPolarHBondContact O-CB 3.29Å; P638-C641 PolarHBondContact O-N 3.14Å
639	E	88.9	Confident	94.3	Very high	172 Å²	172	53.1 Å²	53.1	80%	0.804	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	147.2	171.5	-62.6	-171.2	-179.6	0	0	110.9	C641	E639-C641 PolarHBondContact O-N 3.01Å
640	N	87.8	Confident	94.7	Very high	136 Å²	136	55.7 Å²	55.7	73%	0.727	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	-9	-177	-55.5	-55	0	0	0	117.3	N514	N514-N640 PolarHBondContact ND2-O 2.85Å; N514-N640 PolarHBondContact OD1-O 2.89Å
641	C	96.2	Very high	95.3	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.014	32%	0.321	C	S	.	.			trans	-59.8	132.6	-177.6	175.2	0	0	0	0	112.5	M610 K637 P638 E639	M610-C641 HydrophobicContact CB-CB 4.2Å; M610-C641 HydrophobicContact CE-CB 4.12Å; K637-C641 PolarHBondContact NZ-O 3.27Å; P638-C641 HydrophobicContact CB-CB 4.06Å; P638-C641 HydrophobicContact CG-CB 4.41Å; P638-C641 WeakPolarHBondContact O-CB 3.29Å; P638-C641 PolarHBondContact O-N 3.14Å; E639-C641 PolarHBondContact O-N 3.01Å
642	P	96.6	Very high	95.8	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.019	29%	0.292	C	S	.	.			trans	-57.2	130.2	178.1	-27.7	36.6	0	0	0	112.1	V518 A644 L645 Y646 V673 E677	V518-P642 HydrophobicContact CG2-CG 4.25Å; P642-A644 PolarHBondContact O-N 2.87Å; P642-L645 HydrophobicContact CB-CB 4.23Å; P642-L645 PolarHBondContact O-N 3.14Å; P642-Y646 PolarHBondContact O-N 2.88Å; P642-V673 HydrophobicContact CB-CG1 4.04Å; P642-V673 HydrophobicContact CG-CG1 4.38Å; P642-E677 VanDerWaalsContact CG-CD 3.47Å; P642-E677 HydrophobicContact CG-CG 3.85Å; P642-E677 WeakPolarHBondContact CG-OE1 3.16Å
643	P	96.2	Very high	96.1	Very high	96 Å²	96	50.7 Å²	50.7	62%	0.623	27%	0.269	S	S	*	.	H	α-helix	trans	-57.2	-35.6	-178.6	-26.3	34.7	0	0	0	113.6	Y646 S647	P643-Y646 PolarHBondContact O-N 2.89Å; P643-S647 WeakPolarHBondContact O-CB 3.12Å; P643-S647 PolarHBondContact O-N 3.03Å
644	A	96.2	Very high	96.4	Very high	44 Å²	44	48.7 Å²	48.7	36%	0.364	26%	0.261	S	S	.	.	H	α-helix	trans	-62.8	-42.9	175.9	0	0	0	0	0	112.3	P642 S647 L648 V673	P642-A644 PolarHBondContact O-N 2.87Å; A644-S647 WeakPolarHBondContact O-CB 3.29Å; A644-S647 PolarHBondContact O-N 3.09Å; A644-L648 PolarHBondContact O-N 2.95Å; A644-V673 HydrophobicContact CB-CG2 3.66Å
645	L	97.9	Very high	96.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.4	-44.8	178.1	-171.7	71.2	0	0	0	111.4	V518 M606 M610 P642 S647 L648 M649 I670 V673	V518-L645 HydrophobicContact CG2-CD2 4.26Å; M606-L645 HydrophobicContact SD-CD1 4.05Å; M610-L645 HydrophobicContact CG-CD2 3.66Å; M610-L645 HydrophobicContact SD-CD2 3.81Å; P642-L645 HydrophobicContact CB-CB 4.23Å; P642-L645 PolarHBondContact O-N 3.14Å; L645-S647 VanDerWaalsContact C-N 3.26Å; L645-S647 PolarHBondContact O-N 2.95Å; L645-L648 WeakPolarHBondContact O-CA 3.15Å; L645-L648 WeakPolarHBondContact O-CB 3.44Å; L645-L648 PolarHBondContact O-N 3.21Å; L645-M649 HydrophobicContact CD2-CE 3.76Å; L645-M649 HydrophobicContact CG-CE 3.86Å; L645-M649 PolarHBondContact O-N 3.32Å; L645-I670 HydrophobicContact CD1-CG1 4.12Å; L645-I670 HydrophobicContact CD1-CG2 4.38Å; L645-V673 HydrophobicContact CB-CG1 4.35Å
646	Y	98.3	Very high	95.9	Very high	53 Å²	53	51.3 Å²	51.3	21%	0.208	28%	0.276	C	S	.	.	H	α-helix	trans	-62.4	-33.9	177	-176.6	-106.6	0	0	0	112.4	L635 K637 P642 P643 L648 M649 T650 W653	L635-Y646 PolarHBondContact O-OH 3.42Å; L635-Y646 VanDerWaalsContact O-OH 3.13Å; K637-Y646 HydrophobicContact CB-CD1 3.95Å; K637-Y646 HydrophobicContact CB-CD2 3.94Å; K637-Y646 HydrophobicContact CB-CE1 3.83Å; K637-Y646 HydrophobicContact CB-CE2 3.83Å; K637-Y646 HydrophobicContact CB-CG 3.99Å; K637-Y646 HydrophobicContact CD-CD1 4.38Å; K637-Y646 HydrophobicContact CG-CD1 4.24Å; K637-Y646 HydrophobicContact CG-CD2 4.34Å; K637-Y646 HydrophobicContact CG-CG 4.1Å; K637-Y646 PolarHBondContact N-OH 2.68Å; P642-Y646 PolarHBondContact O-N 2.88Å; P643-Y646 PolarHBondContact O-N 2.89Å; Y646-L648 VanDerWaalsContact C-N 3.26Å; Y646-L648 PolarHBondContact O-N 3Å; Y646-M649 HydrophobicContact CD2-SD 3.96Å; Y646-M649 WeakPolarHBondContact O-CB 3.15Å; Y646-M649 PolarHBondContact O-N 2.93Å; Y646-T650 HydrophobicContact CD1-CG2 4.23Å; Y646-T650 HydrophobicContact CE1-CG2 3.74Å; Y646-T650 HydrophobicContact CE2-CG2 4.27Å; Y646-T650 PolarHBondContact O-N 2.52Å; Y646-T650 PolarHBondContact O-OG1 2.98Å; Y646-W653 HydrophobicContact CE2-CZ3 4.1Å
647	S	97.9	Very high	95.7	Very high	70 Å²	70	49.6 Å²	49.6	49%	0.49	27%	0.265	S	S	.	.	H	α-helix	trans	-65.4	-25.4	172.2	-164.7	0	0	0	0	113.5	P643 A644 L645 T650	P643-S647 WeakPolarHBondContact O-CB 3.12Å; P643-S647 PolarHBondContact O-N 3.03Å; A644-S647 WeakPolarHBondContact O-CB 3.29Å; A644-S647 PolarHBondContact O-N 3.09Å; L645-S647 VanDerWaalsContact C-N 3.26Å; L645-S647 PolarHBondContact O-N 2.95Å; S647-T650 PolarHBondContact O-OG1 2.85Å
648	L	97.8	Very high	95.3	Very high	16 Å²	16	48 Å²	48	8%	0.084	28%	0.277	C	S	.	.	H	α-helix	trans	-76	-43.1	168.8	-58.4	175.1	0	0	0	111.1	A644 L645 Y646 T650 R651 C652 L666 K669 I670	A644-L648 PolarHBondContact O-N 2.95Å; L645-L648 WeakPolarHBondContact O-CA 3.15Å; L645-L648 WeakPolarHBondContact O-CB 3.44Å; L645-L648 PolarHBondContact O-N 3.21Å; Y646-L648 VanDerWaalsContact C-N 3.26Å; Y646-L648 PolarHBondContact O-N 3Å; L648-T650 VanDerWaalsContact C-N 3.35Å; L648-T650 PolarHBondContact O-N 3.41Å; L648-R651 PolarHBondContact O-N 3.16Å; L648-C652 PolarHBondContact O-N 3.02Å; L648-C652 PolarHBondContact O-SG 3Å; L648-L666 HydrophobicContact CB-CD2 4.31Å; L648-K669 HydrophobicContact CD1-CB 3.73Å; L648-K669 HydrophobicContact CD2-CB 3.95Å; L648-K669 HydrophobicContact CD2-CD 3.75Å; L648-K669 HydrophobicContact CD2-CG 4.48Å; L648-I670 HydrophobicContact CD1-CG1 3.84Å
649	M	98.5	Very high	95.3	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-56.2	-47.4	176.8	-59.7	177.3	-168.2	0	0	111.5	A603 M606 W607 M610 L645 Y646 R651 C652 W653	A603-M649 HydrophobicContact CB-CB 4.49Å; M606-M649 HydrophobicContact CB-CE 3.95Å; M606-M649 HydrophobicContact CB-CG 4.49Å; M606-M649 HydrophobicContact CE-CG 4.22Å; W607-M649 HydrophobicContact CB-SD 4.16Å; M610-M649 HydrophobicContact CB-CE 4.31Å; M610-M649 HydrophobicContact CG-CE 3.82Å; L645-M649 HydrophobicContact CD2-CE 3.76Å; L645-M649 HydrophobicContact CG-CE 3.86Å; L645-M649 PolarHBondContact O-N 3.32Å; Y646-M649 HydrophobicContact CD2-SD 3.96Å; Y646-M649 WeakPolarHBondContact O-CB 3.15Å; Y646-M649 PolarHBondContact O-N 2.93Å; M649-R651 VanDerWaalsContact C-N 3.34Å; M649-R651 PolarHBondContact O-N 2.99Å; M649-C652 WeakPolarHBondContact O-CB 3.49Å; M649-C652 PolarHBondContact O-N 2.78Å; M649-C652 VanDerWaalsContact O-N 3.11Å; M649-W653 HydrophobicContact CB-CE3 4.29Å; M649-W653 HydrophobicContact CB-CH2 3.79Å; M649-W653 HydrophobicContact CB-CZ2 4.09Å; M649-W653 HydrophobicContact CB-CZ3 3.92Å; M649-W653 HydrophobicContact CG-CH2 4.48Å; M649-W653 PolarHBondContact O-N 2.86Å; M649-W653 HydrophobicContact SD-CH2 4.15Å
650	T	97.8	Very high	95.7	Very high	57 Å²	57	46.7 Å²	46.7	35%	0.35	27%	0.269	S	S	.	.	H	α-helix	trans	-65.7	-32.9	-179.4	55.3	0	0	0	0	113.3	Y646 S647 L648 W653	Y646-T650 HydrophobicContact CD1-CG2 4.23Å; Y646-T650 HydrophobicContact CE1-CG2 3.74Å; Y646-T650 HydrophobicContact CE2-CG2 4.27Å; Y646-T650 PolarHBondContact O-N 2.52Å; Y646-T650 PolarHBondContact O-OG1 2.98Å; S647-T650 PolarHBondContact O-OG1 2.85Å; L648-T650 VanDerWaalsContact C-N 3.35Å; L648-T650 PolarHBondContact O-N 3.41Å; T650-W653 HydrophobicContact CG2-CE3 4.4Å; T650-W653 CarbonylContact O-C 3.58Å; T650-W653 PolarHBondContact O-N 3.1Å
651	R	97.8	Very high	96.1	Very high	99 Å²	99	40.5 Å²	40.5	37%	0.374	24%	0.236	S	C	.	.	H	α-helix	trans	-67	-39.5	169.8	-82.5	-169.1	61.8	-156.7	-13	112.8	L648 M649 W653 S654 P661 E665	L648-R651 PolarHBondContact O-N 3.16Å; M649-R651 VanDerWaalsContact C-N 3.34Å; M649-R651 PolarHBondContact O-N 2.99Å; R651-W653 PolarHBondContact O-N 3.15Å; R651-S654 PolarHBondContact O-N 3.1Å; R651-P661 HydrophobicContact CB-CG 4.45Å; R651-E665 IonicContact CZ-OE1 3.6Å; R651-E665 IonicContact NH1-OE1 3.92Å; R651-E665 PolarHBondContact NH1-OE1 2.96Å; R651-E665 IonicContact NH2-OE1 2.69Å; R651-E665 PolarHBondContact NH2-OE1 3.47Å; R651-E665 IonicContact NH2-OE2 3.33Å; R651-E665 PolarHBondContact NH2-OE2 2.81Å
652	C	98.5	Very high	96.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.6	-30.9	174.5	-60.2	0	0	0	0	112.1	V599 A603 L648 M649 S654 R660	V599-C652 HydrophobicContact CG1-CB 3.81Å; A603-C652 HydrophobicContact CB-CB 3.32Å; L648-C652 PolarHBondContact O-N 3.02Å; L648-C652 PolarHBondContact O-SG 3Å; M649-C652 WeakPolarHBondContact O-CB 3.49Å; M649-C652 PolarHBondContact O-N 2.78Å; M649-C652 VanDerWaalsContact O-N 3.11Å; C652-S654 VanDerWaalsContact C-N 3.26Å; C652-S654 PolarHBondContact O-N 3.47Å; C652-R660 VanDerWaalsContact O-CD 3.25Å; C652-R660 WeakPolarHBondContact O-CD 3.11Å; C652-R660 WeakPolarHBondContact O-CG 3.44Å
653	W	98.1	Very high	96.1	Very high	5 Å²	5	44.1 Å²	44.1	2%	0.019	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	22.9	174.1	-53.8	-40.7	0	0	0	114.6	W600 A603 W607 R634 L635 Y646 M649 T650 R651 Y655	W600-W653 AromaticContact CD2-CD1 3.83Å; W600-W653 AromaticContact CE2-CD1 3.93Å; W600-W653 HydrophobicContact CE3-CB 4.18Å; W600-W653 HydrophobicContact CH2-CB 4.18Å; W600-W653 HydrophobicContact CZ3-CB 3.96Å; W600-W653 VanDerWaalsContact CZ3-O 3.29Å; W600-W653 WeakPolarHBondContact CZ3-O 3.46Å; A603-W653 HydrophobicContact CB-CZ2 4.37Å; A603-W653 WeakPolarHBondContact O-CZ2 3.45Å; W607-W653 HydrophobicContact CB-CH2 4.06Å; W607-W653 HydrophobicContact CB-CZ2 3.98Å; W607-W653 AromaticContact CD1-CH2 3.91Å; W607-W653 HydrophobicContact CG-CH2 4.2Å; W607-W653 HydrophobicContact CG-CZ2 4.49Å; R634-W653 HydrophobicContact CB-CE3 4.08Å; R634-W653 HydrophobicContact CG-CB 4.43Å; R634-W653 HydrophobicContact CG-CE3 4.41Å; R634-W653 PolarHBondContact NE-O 3.44Å; R634-W653 PolarHBondContact NH2-O 2.93Å; L635-W653 HydrophobicContact CB-CH2 3.8Å; L635-W653 HydrophobicContact CB-CZ2 4.35Å; L635-W653 HydrophobicContact CB-CZ3 4.17Å; L635-W653 HydrophobicContact CD1-CH2 4.18Å; L635-W653 HydrophobicContact CD1-CZ2 3.89Å; L635-W653 HydrophobicContact CG-CH2 4.49Å; Y646-W653 HydrophobicContact CE2-CZ3 4.1Å; M649-W653 HydrophobicContact CB-CE3 4.29Å; M649-W653 HydrophobicContact CB-CH2 3.79Å; M649-W653 HydrophobicContact CB-CZ2 4.09Å; M649-W653 HydrophobicContact CB-CZ3 3.92Å; M649-W653 HydrophobicContact CG-CH2 4.48Å; M649-W653 PolarHBondContact O-N 2.86Å; M649-W653 HydrophobicContact SD-CH2 4.15Å; T650-W653 HydrophobicContact CG2-CE3 4.4Å; T650-W653 CarbonylContact O-C 3.58Å; T650-W653 PolarHBondContact O-N 3.1Å; R651-W653 PolarHBondContact O-N 3.15Å; W653-Y655 PolarHBondContact O-N 3.13Å
654	S	97.3	Very high	95.9	Very high	36 Å²	36	43.6 Å²	43.6	25%	0.252	26%	0.255	S	S	.	.			trans	-56.7	135.6	165.4	-171.9	0	0	0	0	110	R651 C652 D656 E659 R660	R651-S654 PolarHBondContact O-N 3.1Å; C652-S654 VanDerWaalsContact C-N 3.26Å; C652-S654 PolarHBondContact O-N 3.47Å; S654-D656 VanDerWaalsContact C-N 3.32Å; S654-E659 WeakPolarHBondContact OG-CB 3.4Å; S654-R660 PolarHBondContact O-NE 2.92Å; S654-R660 PolarHBondContact O-NH2 3.01Å
655	Y	92.5	Very high	95.9	Very high	41 Å²	41	44.1 Å²	44.1	16%	0.161	25%	0.25	C	C	.	.	S	Bend	trans	-64.4	-41.4	179.6	-174.4	-88.7	0	0	0	110.8	K195 N198 P585 E630 W653 P657 R660	K195-Y655 HydrophobicContact CD-CE1 3.83Å; K195-Y655 WeakPolarHBondContact CD-OH 3.42Å; K195-Y655 PolarHBondContact NZ-OH 3.26Å; N198-Y655 PolarHBondContact ND2-OH 3.05Å; N198-Y655 PolarHBondContact OD1-OH 3.14Å; P585-Y655 HydrophobicContact CB-CD2 4.05Å; P585-Y655 HydrophobicContact CB-CE2 3.54Å; P585-Y655 HydrophobicContact CG-CD2 3.92Å; P585-Y655 HydrophobicContact CG-CE2 3.92Å; E630-Y655 HydrophobicContact CG-CE2 4Å; W653-Y655 PolarHBondContact O-N 3.13Å; Y655-P657 WeakPolarHBondContact O-CD 3.32Å; Y655-R660 PolarHBondContact O-NH2 3.46Å
656	D	89.4	Confident	95.9	Very high	67 Å²	67	44.1 Å²	44.1	36%	0.358	25%	0.25	S	C	.	.	S	Bend	trans	-74.9	123.7	174	-160.2	-53.5	0	0	0	110.2	S654 G658 E659	S654-D656 VanDerWaalsContact C-N 3.32Å; D656-G658 PolarHBondContact O-N 3.49Å; D656-G658 PolarHBondContact OD1-N 2.93Å; D656-E659 HydrophobicContact CB-CB 4.45Å; D656-E659 HydrophobicContact CB-CG 4.1Å; D656-E659 PolarHBondContact O-N 3.33Å
657	P	92.2	Very high	95.8	Very high	34 Å²	34	42.9 Å²	42.9	22%	0.221	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-60	-30.3	176.9	-23.3	34.4	0	0	0	114	E586 A596 Y655 E659 R660	E586-P657 HydrophobicContact CG-CG 4.07Å; A596-P657 HydrophobicContact CB-CB 3.88Å; Y655-P657 WeakPolarHBondContact O-CD 3.32Å; P657-E659 VanDerWaalsContact C-N 3.3Å; P657-E659 PolarHBondContact O-N 2.97Å; P657-R660 PolarHBondContact O-N 2.95Å
658	G	89.7	Confident	95.7	Very high	66 Å²	66	44.4 Å²	44.4	68%	0.68	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-72.6	-19.9	-177.5	0	0	0	0	0	114.5	D656	D656-G658 PolarHBondContact O-N 3.49Å; D656-G658 PolarHBondContact OD1-N 2.93Å
659	E	94.9	Very high	95.7	Very high	137 Å²	137	47.1 Å²	47.1	64%	0.64	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-89.4	-2.9	178.3	-66	-67.9	149.1	0	0	112.8	S654 D656 P657	S654-E659 WeakPolarHBondContact OG-CB 3.4Å; D656-E659 HydrophobicContact CB-CB 4.45Å; D656-E659 HydrophobicContact CB-CG 4.1Å; D656-E659 PolarHBondContact O-N 3.33Å; P657-E659 VanDerWaalsContact C-N 3.3Å; P657-E659 PolarHBondContact O-N 2.97Å
660	R	97.7	Very high	95.7	Very high	19 Å²	19	47.1 Å²	47.1	7%	0.072	26%	0.261	C	S	.	.	S	Bend	trans	-80.5	137.4	-179.1	-59.2	179.8	-167.7	153	12.6	110.3	E586 A596 V599 C652 S654 Y655 P657	E586-R660 IonicContact OE1-CZ 3.67Å; E586-R660 IonicContact OE1-NH1 2.69Å; E586-R660 PolarHBondContact OE1-NH1 3.47Å; E586-R660 IonicContact OE1-NH2 2.79Å; E586-R660 PolarHBondContact OE1-NH2 2.97Å; E586-R660 IonicContact OE2-CZ 3.41Å; E586-R660 IonicContact OE2-NH1 2.75Å; E586-R660 PolarHBondContact OE2-NH1 3.4Å; E586-R660 IonicContact OE2-NH2 3.89Å; E586-R660 PolarHBondContact OE2-NH2 3.31Å; A596-R660 WeakPolarHBondContact O-CD 3.4Å; A596-R660 PolarHBondContact O-NH1 3.22Å; V599-R660 HydrophobicContact CG1-CB 4.07Å; C652-R660 VanDerWaalsContact O-CD 3.25Å; C652-R660 WeakPolarHBondContact O-CD 3.11Å; C652-R660 WeakPolarHBondContact O-CG 3.44Å; S654-R660 PolarHBondContact O-NE 2.92Å; S654-R660 PolarHBondContact O-NH2 3.01Å; Y655-R660 PolarHBondContact O-NH2 3.46Å; P657-R660 PolarHBondContact O-N 2.95Å
661	P	97.5	Very high	95.7	Very high	5 Å²	5	47 Å²	47	3%	0.032	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-64.1	147.7	177.2	28.3	-35.3	0	0	0	111.5	V599 R651 E665 L666	V599-P661 WeakPolarHBondContact CG2-O 3.31Å; R651-P661 HydrophobicContact CB-CG 4.45Å; P661-E665 WeakPolarHBondContact CA-OE2 3.35Å; P661-E665 HydrophobicContact CB-CB 4.28Å; P661-E665 HydrophobicContact CB-CG 4.3Å; P661-E665 WeakPolarHBondContact CB-OE2 3.47Å; P661-L666 HydrophobicContact CB-CD2 4.21Å; P661-L666 HydrophobicContact CB-CG 4.16Å; P661-L666 HydrophobicContact CG-CD1 4.22Å; P661-L666 HydrophobicContact CG-CD2 3.75Å; P661-L666 HydrophobicContact CG-CG 4Å
662	S	95.2	Very high	95.7	Very high	65 Å²	65	47 Å²	47	46%	0.455	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-72.4	156.6	173.4	69.9	0	0	0	0	111.6	T664 E665 L666	S662-T664 PolarHBondContact O-N 2.83Å; S662-E665 WeakPolarHBondContact O-CB 3.38Å; S662-E665 PolarHBondContact O-N 3.16Å; S662-E665 PolarHBondContact OG-N 2.96Å; S662-L666 WeakPolarHBondContact O-CG 3.32Å; S662-L666 PolarHBondContact O-N 2.74Å
663	F	95.9	Very high	95.6	Very high	16 Å²	16	47.4 Å²	47.4	7%	0.07	27%	0.272	C	S	.	.	H	α-helix	trans	-56.6	-32.1	173.7	-74.2	-59.2	0	0	0	112.7	L528 V529 D598 V599 F602 L666 V667	L528-F663 HydrophobicContact CB-CD1 3.79Å; L528-F663 HydrophobicContact CB-CD2 4.07Å; L528-F663 HydrophobicContact CB-CE1 3.71Å; L528-F663 HydrophobicContact CB-CE2 3.99Å; L528-F663 HydrophobicContact CB-CG 3.98Å; L528-F663 HydrophobicContact CB-CZ 3.8Å; L528-F663 HydrophobicContact CD1-CD1 4.3Å; L528-F663 HydrophobicContact CD1-CE1 3.53Å; L528-F663 HydrophobicContact CD1-CZ 3.76Å; L528-F663 HydrophobicContact CD2-CZ 4.46Å; L528-F663 HydrophobicContact CG-CE1 4.21Å; L528-F663 HydrophobicContact CG-CZ 4.21Å; V529-F663 VanDerWaalsContact CG2-C 3.44Å; V529-F663 HydrophobicContact CG2-CB 3.61Å; V529-F663 WeakPolarHBondContact CG2-O 3.4Å; D598-F663 HydrophobicContact CB-CE2 3.99Å; D598-F663 HydrophobicContact CB-CZ 3.91Å; V599-F663 HydrophobicContact CB-CE1 4.46Å; V599-F663 HydrophobicContact CB-CZ 4.31Å; V599-F663 HydrophobicContact CG2-CD1 3.99Å; V599-F663 HydrophobicContact CG2-CD2 3.99Å; V599-F663 HydrophobicContact CG2-CE1 3.76Å; V599-F663 HydrophobicContact CG2-CE2 3.77Å; V599-F663 HydrophobicContact CG2-CG 4.1Å; V599-F663 HydrophobicContact CG2-CZ 3.65Å; F602-F663 HydrophobicContact CB-CE1 3.8Å; F602-F663 HydrophobicContact CB-CZ 4.24Å; F602-F663 HydrophobicContact CD1-CD1 4.3Å; F602-F663 AromaticContact CD1-CE1 3.77Å; F602-F663 HydrophobicContact CD1-CE1 3.77Å; F602-F663 AromaticContact CG-CE1 3.87Å; F602-F663 HydrophobicContact CG-CE1 3.87Å; F663-L666 HydrophobicContact CD1-CD1 4.15Å; F663-L666 PolarHBondContact O-N 3.06Å; F663-V667 PolarHBondContact O-N 3.06Å
664	T	93.1	Very high	95.6	Very high	86 Å²	86	47.9 Å²	47.9	53%	0.528	27%	0.274	S	S	.	.	H	α-helix	trans	-66	-39.6	174.4	-44.1	0	0	0	0	112.3	S662 L666 I668	S662-T664 PolarHBondContact O-N 2.83Å; T664-L666 VanDerWaalsContact C-N 3.34Å; T664-I668 WeakPolarHBondContact O-CD1 3.27Å; T664-I668 WeakPolarHBondContact O-CG1 3.32Å
665	E	95.6	Very high	95.6	Very high	54 Å²	54	52.1 Å²	52.1	25%	0.252	29%	0.288	S	S	.	.	H	α-helix	trans	-65.3	-38.7	171.6	-172.4	-172.6	166.9	0	0	111.1	R651 P661 S662 K669	R651-E665 IonicContact CZ-OE1 3.6Å; R651-E665 IonicContact NH1-OE1 3.92Å; R651-E665 PolarHBondContact NH1-OE1 2.96Å; R651-E665 IonicContact NH2-OE1 2.69Å; R651-E665 PolarHBondContact NH2-OE1 3.47Å; R651-E665 IonicContact NH2-OE2 3.33Å; R651-E665 PolarHBondContact NH2-OE2 2.81Å; P661-E665 WeakPolarHBondContact CA-OE2 3.35Å; P661-E665 HydrophobicContact CB-CB 4.28Å; P661-E665 HydrophobicContact CB-CG 4.3Å; P661-E665 WeakPolarHBondContact CB-OE2 3.47Å; S662-E665 WeakPolarHBondContact O-CB 3.38Å; S662-E665 PolarHBondContact O-N 3.16Å; S662-E665 PolarHBondContact OG-N 2.96Å; E665-K669 HydrophobicContact CG-CD 4.17Å; E665-K669 WeakPolarHBondContact O-CG 3.49Å; E665-K669 PolarHBondContact O-N 2.79Å; E665-K669 IonicContact OE1-NZ 2.7Å; E665-K669 PolarHBondContact OE1-NZ 2.76Å
666	L	97.9	Very high	95.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-70	-44.9	-178.2	-69.9	171.1	0	0	0	113.2	V599 F602 L648 P661 S662 F663 T664 I668 K669 I670	V599-L666 HydrophobicContact CG1-CD1 4.12Å; V599-L666 HydrophobicContact CG2-CD1 4.36Å; F602-L666 HydrophobicContact CD1-CD1 4.14Å; F602-L666 HydrophobicContact CE1-CD1 4.22Å; L648-L666 HydrophobicContact CB-CD2 4.31Å; P661-L666 HydrophobicContact CB-CD2 4.21Å; P661-L666 HydrophobicContact CB-CG 4.16Å; P661-L666 HydrophobicContact CG-CD1 4.22Å; P661-L666 HydrophobicContact CG-CD2 3.75Å; P661-L666 HydrophobicContact CG-CG 4Å; S662-L666 WeakPolarHBondContact O-CG 3.32Å; S662-L666 PolarHBondContact O-N 2.74Å; F663-L666 HydrophobicContact CD1-CD1 4.15Å; F663-L666 PolarHBondContact O-N 3.06Å; T664-L666 VanDerWaalsContact C-N 3.34Å; L666-I668 VanDerWaalsContact C-N 3.26Å; L666-I668 PolarHBondContact O-N 3.3Å; L666-K669 PolarHBondContact O-N 2.71Å; L666-I670 HydrophobicContact CB-CD1 4.19Å; L666-I670 WeakPolarHBondContact O-CB 3.4Å; L666-I670 VanDerWaalsContact O-CG1 3.22Å; L666-I670 WeakPolarHBondContact O-CG1 3.25Å; L666-I670 PolarHBondContact O-N 3.12Å
667	V	96.9	Very high	96	Very high	28 Å²	28	51.2 Å²	51.2	17%	0.17	28%	0.284	C	S	.	.	H	α-helix	trans	-56.6	-41.9	178.5	167	0	0	0	0	111.4	L522 C525 K526 V529 F663 S671	L522-V667 HydrophobicContact CD1-CG1 4.24Å; L522-V667 WeakPolarHBondContact CD1-O 3.32Å; C525-V667 HydrophobicContact CB-CG2 3.84Å; C525-V667 WeakPolarHBondContact O-CG2 3.42Å; C525-V667 WeakPolarHBondContact SG-CG2 3.32Å; K526-V667 HydrophobicContact CG-CG1 4.08Å; K526-V667 HydrophobicContact CG-CG2 4.19Å; V529-V667 HydrophobicContact CB-CG2 4.45Å; V529-V667 HydrophobicContact CG2-CB 4.35Å; V529-V667 HydrophobicContact CG2-CG2 3.46Å; V529-V667 VanDerWaalsContact CG2-CG2 3.46Å; F663-V667 PolarHBondContact O-N 3.06Å; V667-S671 VanDerWaalsContact O-CB 3.23Å; V667-S671 WeakPolarHBondContact O-CB 3.49Å; V667-S671 PolarHBondContact O-N 3Å
668	I	95.9	Very high	96.1	Very high	102 Å²	102	54.6 Å²	54.6	52%	0.523	30%	0.295	S	S	.	.	H	α-helix	trans	-61.2	-55.4	177.9	-63	168.2	0	0	0	109.7	T664 L666 I670 S671 D672	T664-I668 WeakPolarHBondContact O-CD1 3.27Å; T664-I668 WeakPolarHBondContact O-CG1 3.32Å; L666-I668 VanDerWaalsContact C-N 3.26Å; L666-I668 PolarHBondContact O-N 3.3Å; I668-I670 PolarHBondContact O-N 3.01Å; I668-S671 WeakPolarHBondContact O-CA 3.39Å; I668-S671 VanDerWaalsContact O-CB 3.32Å; I668-S671 WeakPolarHBondContact O-CB 3.37Å; I668-S671 PolarHBondContact O-N 2.77Å; I668-S671 VanDerWaalsContact O-N 3.09Å; I668-D672 PolarHBondContact O-N 3.37Å
669	K	97.4	Very high	96.3	Very high	73 Å²	73	56.9 Å²	56.9	32%	0.317	29%	0.288	S	S	.	.	H	α-helix	trans	-69.8	-34.2	-173	-64.8	179.8	-179.4	-175.6	0	113.5	L648 E665 L666 S671 D672 V673	L648-K669 HydrophobicContact CD1-CB 3.73Å; L648-K669 HydrophobicContact CD2-CB 3.95Å; L648-K669 HydrophobicContact CD2-CD 3.75Å; L648-K669 HydrophobicContact CD2-CG 4.48Å; E665-K669 HydrophobicContact CG-CD 4.17Å; E665-K669 WeakPolarHBondContact O-CG 3.49Å; E665-K669 PolarHBondContact O-N 2.79Å; E665-K669 IonicContact OE1-NZ 2.7Å; E665-K669 PolarHBondContact OE1-NZ 2.76Å; L666-K669 PolarHBondContact O-N 2.71Å; K669-S671 VanDerWaalsContact C-N 3.32Å; K669-D672 PolarHBondContact O-N 3.02Å; K669-V673 WeakPolarHBondContact O-CG2 3.4Å; K669-V673 PolarHBondContact O-N 3.36Å; K669-V673 VanDerWaalsContact O-N 3.09Å
670	I	98	Very high	96.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-70.3	-33.1	173.5	-60.5	167.1	0	0	0	109.8	V518 L522 C525 F602 M606 L645 L648 L666 I668 V673 H674	V518-I670 HydrophobicContact CG1-CG2 4.13Å; L522-I670 HydrophobicContact CB-CG2 3.85Å; L522-I670 HydrophobicContact CD1-CB 4.2Å; L522-I670 HydrophobicContact CD1-CG2 4.14Å; C525-I670 HydrophobicContact CB-CD1 4.18Å; F602-I670 HydrophobicContact CE1-CD1 3.81Å; F602-I670 HydrophobicContact CZ-CD1 3.81Å; M606-I670 HydrophobicContact CE-CD1 4.43Å; M606-I670 HydrophobicContact SD-CD1 3.64Å; M606-I670 HydrophobicContact SD-CG1 4.45Å; L645-I670 HydrophobicContact CD1-CG1 4.12Å; L645-I670 HydrophobicContact CD1-CG2 4.38Å; L648-I670 HydrophobicContact CD1-CG1 3.84Å; L666-I670 HydrophobicContact CB-CD1 4.19Å; L666-I670 WeakPolarHBondContact O-CB 3.4Å; L666-I670 VanDerWaalsContact O-CG1 3.22Å; L666-I670 WeakPolarHBondContact O-CG1 3.25Å; L666-I670 PolarHBondContact O-N 3.12Å; I668-I670 PolarHBondContact O-N 3.01Å; I670-V673 PolarHBondContact O-N 3.17Å; I670-H674 WeakPolarHBondContact O-CB 3.41Å; I670-H674 PolarHBondContact O-N 3.37Å
671	S	97.6	Very high	95.7	Very high	53 Å²	53	55.1 Å²	55.1	37%	0.371	28%	0.284	S	S	.	.	H	α-helix	trans	-66.1	-37.5	172.6	-169.2	0	0	0	0	112.6	V667 I668 K669 H674 K675	V667-S671 VanDerWaalsContact O-CB 3.23Å; V667-S671 WeakPolarHBondContact O-CB 3.49Å; V667-S671 PolarHBondContact O-N 3Å; I668-S671 WeakPolarHBondContact O-CA 3.39Å; I668-S671 VanDerWaalsContact O-CB 3.32Å; I668-S671 WeakPolarHBondContact O-CB 3.37Å; I668-S671 PolarHBondContact O-N 2.77Å; I668-S671 VanDerWaalsContact O-N 3.09Å; K669-S671 VanDerWaalsContact C-N 3.32Å; S671-H674 PolarHBondContact O-N 3.06Å; S671-K675 PolarHBondContact O-N 2.99Å
672	D	97.4	Very high	95.4	Very high	99 Å²	99	58.4 Å²	58.4	53%	0.529	30%	0.304	S	S	.	.	H	α-helix	trans	-64.8	-44.6	173.9	-67.2	-37.5	0	0	0	111.5	I668 K669 H674 K675 M676	I668-D672 PolarHBondContact O-N 3.37Å; K669-D672 PolarHBondContact O-N 3.02Å; D672-H674 PolarHBondContact O-N 3.01Å; D672-K675 PolarHBondContact O-N 2.88Å; D672-M676 PolarHBondContact O-N 3.29Å
673	V	97.5	Very high	95.2	Very high	10 Å²	10	58.4 Å²	58.4	6%	0.061	30%	0.297	C	S	.	.	H	α-helix	trans	-63	-41.3	174.5	176.5	0	0	0	0	111.4	V518 P642 A644 L645 K669 I670 K675 M676 E677	V518-V673 HydrophobicContact CG1-CG1 4.2Å; V518-V673 HydrophobicContact CG2-CG1 4.44Å; P642-V673 HydrophobicContact CB-CG1 4.04Å; P642-V673 HydrophobicContact CG-CG1 4.38Å; A644-V673 HydrophobicContact CB-CG2 3.66Å; L645-V673 HydrophobicContact CB-CG1 4.35Å; K669-V673 WeakPolarHBondContact O-CG2 3.4Å; K669-V673 PolarHBondContact O-N 3.36Å; K669-V673 VanDerWaalsContact O-N 3.09Å; I670-V673 PolarHBondContact O-N 3.17Å; V673-K675 VanDerWaalsContact C-N 3.31Å; V673-K675 PolarHBondContact O-N 3.24Å; V673-M676 WeakPolarHBondContact O-CB 3.46Å; V673-M676 PolarHBondContact O-N 2.75Å; V673-E677 HydrophobicContact CG1-CG 4.41Å; V673-E677 PolarHBondContact O-N 2.96Å
674	H	97.8	Very high	94.8	Very high	15 Å²	15	62.4 Å²	62.4	7%	0.069	31%	0.312	C	S	.	.	H	α-helix	trans	-60.6	-40.9	176.6	-174.2	44.2	0	0	0	112.5	T515 V518 L522 I670 S671 D672 K678	T515-H674 PolarHBondContact O-CE1 3.4Å; T515-H674 VanDerWaalsContact O-CE1 3.23Å; T515-H674 PolarHBondContact O-ND1 3.1Å; V518-H674 HydrophobicContact CG1-CB 3.77Å; L522-H674 HydrophobicContact CD2-CB 4.22Å; I670-H674 WeakPolarHBondContact O-CB 3.41Å; I670-H674 PolarHBondContact O-N 3.37Å; S671-H674 PolarHBondContact O-N 3.06Å; D672-H674 PolarHBondContact O-N 3.01Å; H674-K678 WeakPolarHBondContact NE2-CE 3.44Å; H674-K678 PolarHBondContact NE2-NZ 2.98Å; H674-K678 WeakPolarHBondContact O-CG 2.91Å; H674-K678 PolarHBondContact O-N 3.19Å; H674-K678 VanDerWaalsContact O-N 3.09Å
675	K	96.7	Very high	94.5	Very high	124 Å²	124	63.2 Å²	63.2	54%	0.539	31%	0.309	S	S	.	.	H	α-helix	trans	-63.7	-44.5	174.8	-177.9	-175.1	164.5	-172.4	0	111.2	S671 D672 V673 K678 E679	S671-K675 PolarHBondContact O-N 2.99Å; D672-K675 PolarHBondContact O-N 2.88Å; V673-K675 VanDerWaalsContact C-N 3.31Å; V673-K675 PolarHBondContact O-N 3.24Å; K675-K678 WeakPolarHBondContact O-CB 3.4Å; K675-K678 PolarHBondContact O-N 3.16Å; K675-E679 WeakPolarHBondContact CE-OE1 3.43Å; K675-E679 IonicContact NZ-OE1 3.96Å; K675-E679 WeakPolarHBondContact O-CG 3.35Å; K675-E679 PolarHBondContact O-N 3.37Å
676	M	95.6	Very high	94.2	Very high	78 Å²	78	67 Å²	67	38%	0.384	32%	0.321	S	S	.	.	H	α-helix	trans	-61	-47.3	177.9	-173.8	-171.5	73.8	0	0	112.2	D672 V673 K678 E679 L680	D672-M676 PolarHBondContact O-N 3.29Å; V673-M676 WeakPolarHBondContact O-CB 3.46Å; V673-M676 PolarHBondContact O-N 2.75Å; M676-K678 VanDerWaalsContact C-N 3.32Å; M676-K678 PolarHBondContact O-N 3Å; M676-E679 PolarHBondContact O-N 3.24Å; M676-L680 HydrophobicContact CG-CD1 4.28Å; M676-L680 WeakPolarHBondContact O-CG 3.27Å; M676-L680 PolarHBondContact O-N 3.26Å
677	E	95.1	Very high	93.7	Very high	12 Å²	12	71 Å²	71	6%	0.056	34%	0.343	C	S	.	.	H	α-helix	trans	-64	-35.7	177.6	-65.8	-63.2	123	0	0	111.9	N514 T515 V518 P642 V673 L680 D681	N514-E677 HydrophobicContact CB-CG 4.43Å; N514-E677 VanDerWaalsContact CB-OE2 3.22Å; N514-E677 WeakPolarHBondContact CB-OE2 3.4Å; N514-E677 PolarHBondContact ND2-OE2 3.47Å; T515-E677 PolarHBondContact OG1-O 3.4Å; V518-E677 HydrophobicContact CG2-CG 4.36Å; P642-E677 VanDerWaalsContact CG-CD 3.47Å; P642-E677 HydrophobicContact CG-CG 3.85Å; P642-E677 WeakPolarHBondContact CG-OE1 3.16Å; V673-E677 HydrophobicContact CG1-CG 4.41Å; V673-E677 PolarHBondContact O-N 2.96Å; E677-L680 PolarHBondContact O-N 2.85Å; E677-D681 PolarHBondContact O-N 2.94Å
678	K	94.4	Very high	93.2	Very high	104 Å²	104	76.4 Å²	76.4	45%	0.452	36%	0.36	S	S	.	.	H	α-helix	trans	-62.2	-42.4	171.7	-82.9	-175.9	165.9	178.9	0	113.3	T515 H674 K675 M676 L680 D681 V682	T515-K678 HydrophobicContact CG2-CD 4.35Å; T515-K678 HydrophobicContact CG2-CG 3.48Å; T515-K678 VanDerWaalsContact CG2-CG 3.48Å; H674-K678 WeakPolarHBondContact NE2-CE 3.44Å; H674-K678 PolarHBondContact NE2-NZ 2.98Å; H674-K678 WeakPolarHBondContact O-CG 2.91Å; H674-K678 PolarHBondContact O-N 3.19Å; H674-K678 VanDerWaalsContact O-N 3.09Å; K675-K678 WeakPolarHBondContact O-CB 3.4Å; K675-K678 PolarHBondContact O-N 3.16Å; M676-K678 VanDerWaalsContact C-N 3.32Å; M676-K678 PolarHBondContact O-N 3Å; K678-L680 VanDerWaalsContact C-N 3.31Å; K678-D681 PolarHBondContact O-N 2.81Å; K678-V682 WeakPolarHBondContact O-CG2 3.46Å; K678-V682 PolarHBondContact O-N 2.89Å; K678-V682 VanDerWaalsContact O-N 3.07Å
679	E	94.1	Very high	92.6	Very high	114 Å²	114	73.6 Å²	73.6	53%	0.533	35%	0.352	S	S	.	.	H	α-helix	trans	-66.6	-36.1	177.3	-72.2	172.3	-178.4	0	0	111	K675 M676 V682 E683	K675-E679 WeakPolarHBondContact CE-OE1 3.43Å; K675-E679 IonicContact NZ-OE1 3.96Å; K675-E679 WeakPolarHBondContact O-CG 3.35Å; K675-E679 PolarHBondContact O-N 3.37Å; M676-E679 PolarHBondContact O-N 3.24Å; E679-V682 PolarHBondContact O-N 3.02Å; E679-E683 PolarHBondContact O-N 2.99Å; E679-E683 VanDerWaalsContact O-N 3.1Å
680	L	91.4	Very high	92	Very high	81 Å²	81	75.9 Å²	75.9	42%	0.424	36%	0.359	S	S	.	.	H	α-helix	trans	-70	-36.7	173.2	-67.5	170.9	0	0	0	113.5	M676 E677 K678 R684	M676-L680 HydrophobicContact CG-CD1 4.28Å; M676-L680 WeakPolarHBondContact O-CG 3.27Å; M676-L680 PolarHBondContact O-N 3.26Å; E677-L680 PolarHBondContact O-N 2.85Å; K678-L680 VanDerWaalsContact C-N 3.31Å; L680-R684 WeakPolarHBondContact O-CB 3.5Å; L680-R684 WeakPolarHBondContact O-CG 3.47Å; L680-R684 PolarHBondContact O-N 3.18Å; L680-R684 PolarHBondContact O-NE 3.5Å
681	D	89.5	Confident	91	Very high	39 Å²	39	78.7 Å²	78.7	21%	0.209	38%	0.382	C	S	.	.	H	α-helix	trans	-60.9	-46	171.4	-90.1	-11.2	0	0	0	111.1	T515 E677 K678 R684 E685	T515-D681 WeakPolarHBondContact CB-OD2 3.37Å; T515-D681 PolarHBondContact OG1-OD2 2.89Å; E677-D681 PolarHBondContact O-N 2.94Å; K678-D681 PolarHBondContact O-N 2.81Å; D681-R684 PolarHBondContact O-N 3.43Å; D681-R684 IonicContact OD1-CZ 3.4Å; D681-R684 IonicContact OD1-NH1 3.39Å; D681-R684 PolarHBondContact OD1-NH1 3.03Å; D681-R684 IonicContact OD1-NH2 2.63Å; D681-R684 PolarHBondContact OD1-NH2 3.45Å; D681-E685 PolarHBondContact O-N 3.13Å
682	V	90.7	Very high	89.9	Confident	74 Å²	74	80.5 Å²	80.5	45%	0.448	39%	0.391	S	S	.	.	H	α-helix	trans	-64.7	-41	-179.6	169	0	0	0	0	112.1	K678 E679 E685 R686	K678-V682 WeakPolarHBondContact O-CG2 3.46Å; K678-V682 PolarHBondContact O-N 2.89Å; K678-V682 VanDerWaalsContact O-N 3.07Å; E679-V682 PolarHBondContact O-N 3.02Å; V682-E685 PolarHBondContact O-N 3.43Å; V682-R686 VanDerWaalsContact O-CG 3.31Å; V682-R686 WeakPolarHBondContact O-CG 3.29Å; V682-R686 PolarHBondContact O-N 3.37Å
683	E	89.8	Confident	88.4	Confident	64 Å²	64	83.5 Å²	83.5	30%	0.299	40%	0.399	S	S	.	.	H	α-helix	trans	-72.4	-37.5	177.4	-159.4	62.4	-156.9	0	0	112.1	E679 E685 R686 D687 R690	E679-E683 PolarHBondContact O-N 2.99Å; E679-E683 VanDerWaalsContact O-N 3.1Å; E683-E685 VanDerWaalsContact C-N 3.28Å; E683-E685 PolarHBondContact O-N 2.97Å; E683-R686 WeakPolarHBondContact O-CB 3.24Å; E683-R686 PolarHBondContact O-N 3.01Å; E683-R686 VanDerWaalsContact O-N 3.16Å; E683-R686 WeakPolarHBondContact OE2-CD 3.38Å; E683-R686 IonicContact OE2-CZ 3.57Å; E683-R686 IonicContact OE2-NE 3.19Å; E683-R686 IonicContact OE2-NH1 3.72Å; E683-R686 PolarHBondContact OE2-NH1 3.29Å; E683-D687 PolarHBondContact O-N 3.37Å; E683-R690 IonicContact OE1-CZ 3.08Å; E683-R690 IonicContact OE1-NH1 3.9Å; E683-R690 PolarHBondContact OE1-NH1 3.23Å; E683-R690 IonicContact OE1-NH2 3.86Å; E683-R690 PolarHBondContact OE1-NH2 3.01Å
684	R	87.9	Confident	86.5	Confident	100 Å²	100	92.1 Å²	92.1	38%	0.377	44%	0.436	S	S	.	.	H	α-helix	trans	-60	-36.9	172.1	-79.6	-175.4	-85.5	98.2	-4	112.6	L680 D681 D687 R688	L680-R684 WeakPolarHBondContact O-CB 3.5Å; L680-R684 WeakPolarHBondContact O-CG 3.47Å; L680-R684 PolarHBondContact O-N 3.18Å; L680-R684 PolarHBondContact O-NE 3.5Å; D681-R684 PolarHBondContact O-N 3.43Å; D681-R684 IonicContact OD1-CZ 3.4Å; D681-R684 IonicContact OD1-NH1 3.39Å; D681-R684 PolarHBondContact OD1-NH1 3.03Å; D681-R684 IonicContact OD1-NH2 2.63Å; D681-R684 PolarHBondContact OD1-NH2 3.45Å; R684-D687 PolarHBondContact O-N 3.3Å; R684-R688 WeakPolarHBondContact O-CG 3.5Å; R684-R688 PolarHBondContact O-N 3.14Å
685	E	87.3	Confident	84.5	Confident	103 Å²	103	98.4 Å²	98.4	48%	0.481	47%	0.469	S	S	.	.	H	α-helix	trans	-74.2	-34.3	175.7	-160.5	55.5	-138.3	0	0	112.5	D681 V682 E683 D687 R688 A689	D681-E685 PolarHBondContact O-N 3.13Å; V682-E685 PolarHBondContact O-N 3.43Å; E683-E685 VanDerWaalsContact C-N 3.28Å; E683-E685 PolarHBondContact O-N 2.97Å; E685-D687 VanDerWaalsContact C-N 3.33Å; E685-D687 PolarHBondContact O-N 3.19Å; E685-R688 PolarHBondContact O-N 3.36Å; E685-R688 VanDerWaalsContact OE2-CD 3.26Å; E685-R688 WeakPolarHBondContact OE2-CD 3.44Å; E685-R688 IonicContact OE2-CZ 1.79Å; E685-R688 IonicContact OE2-NE 3.72Å; E685-R688 IonicContact OE2-NH1 3.02Å; E685-R688 PolarHBondContact OE2-NH1 2.64Å; E685-A689 WeakPolarHBondContact O-CB 3.3Å; E685-A689 PolarHBondContact O-N 2.8Å
686	R	89	Confident	82	Confident	134 Å²	134	98.8 Å²	98.8	51%	0.506	47%	0.473	S	S	.	.	H	α-helix	trans	-61.7	-40.6	169.1	-72.5	162.2	174.4	174.4	3.3	111.7	V682 E683 A689 R690	V682-R686 VanDerWaalsContact O-CG 3.31Å; V682-R686 WeakPolarHBondContact O-CG 3.29Å; V682-R686 PolarHBondContact O-N 3.37Å; E683-R686 WeakPolarHBondContact O-CB 3.24Å; E683-R686 PolarHBondContact O-N 3.01Å; E683-R686 VanDerWaalsContact O-N 3.16Å; E683-R686 WeakPolarHBondContact OE2-CD 3.38Å; E683-R686 IonicContact OE2-CZ 3.57Å; E683-R686 IonicContact OE2-NE 3.19Å; E683-R686 IonicContact OE2-NH1 3.72Å; E683-R686 PolarHBondContact OE2-NH1 3.29Å; R686-A689 CarbonylContact O-C 3.58Å; R686-A689 PolarHBondContact O-N 3.35Å; R686-R690 VanDerWaalsContact O-CG 3.25Å; R686-R690 WeakPolarHBondContact O-CG 3.41Å; R686-R690 PolarHBondContact O-N 3.13Å
687	D	87.3	Confident	79.8	Confident	83 Å²	83	100.9 Å²	100.9	44%	0.444	49%	0.493	S	S	.	.	H	α-helix	trans	-67.5	-39.8	177	-79.9	-35.2	0	0	0	112.8	E683 R684 E685 A689 R690 A691	E683-D687 PolarHBondContact O-N 3.37Å; R684-D687 PolarHBondContact O-N 3.3Å; E685-D687 VanDerWaalsContact C-N 3.33Å; E685-D687 PolarHBondContact O-N 3.19Å; D687-A689 VanDerWaalsContact C-N 3.33Å; D687-A689 PolarHBondContact O-N 3.05Å; D687-R690 PolarHBondContact O-N 2.57Å; D687-R690 WeakPolarHBondContact OD1-CD 3.4Å; D687-R690 IonicContact OD1-CZ 2.79Å; D687-R690 IonicContact OD1-NE 2.73Å; D687-R690 IonicContact OD1-NH1 3.68Å; D687-R690 PolarHBondContact OD1-NH1 2.99Å; D687-R690 IonicContact OD2-NH1 2.7Å; D687-A691 WeakPolarHBondContact O-CB 3.42Å; D687-A691 PolarHBondContact O-N 3.39Å
688	R	86.4	Confident	77.2	Confident	143 Å²	143	109.1 Å²	109.1	54%	0.54	53%	0.528	S	S	.	.	H	α-helix	trans	-57.6	-45.9	168.6	-72.2	168.7	-178.2	152.2	-0.8	111.6	R684 E685 R690 A691 T692	R684-R688 WeakPolarHBondContact O-CG 3.5Å; R684-R688 PolarHBondContact O-N 3.14Å; E685-R688 PolarHBondContact O-N 3.36Å; E685-R688 VanDerWaalsContact OE2-CD 3.26Å; E685-R688 WeakPolarHBondContact OE2-CD 3.44Å; E685-R688 IonicContact OE2-CZ 1.79Å; E685-R688 IonicContact OE2-NE 3.72Å; E685-R688 IonicContact OE2-NH1 3.02Å; E685-R688 PolarHBondContact OE2-NH1 2.64Å; R688-R690 VanDerWaalsContact C-N 3.33Å; R688-R690 PolarHBondContact O-N 3.17Å; R688-A691 PolarHBondContact O-N 3.03Å; R688-T692 PolarHBondContact O-N 3.37Å; R688-T692 PolarHBondContact O-OG1 2.72Å; R688-T692 VanDerWaalsContact O-OG1 3.1Å
689	A	83.6	Confident	75	Confident	42 Å²	42	111 Å²	111	35%	0.347	55%	0.548	S	S	.	.	H	α-helix	trans	-69	-26.1	178.3	0	0	0	0	0	114	E685 R686 D687 T692 K693	E685-A689 WeakPolarHBondContact O-CB 3.3Å; E685-A689 PolarHBondContact O-N 2.8Å; R686-A689 CarbonylContact O-C 3.58Å; R686-A689 PolarHBondContact O-N 3.35Å; D687-A689 VanDerWaalsContact C-N 3.33Å; D687-A689 PolarHBondContact O-N 3.05Å; A689-T692 PolarHBondContact O-OG1 3.25Å; A689-K693 WeakPolarHBondContact O-CD 3.34Å; A689-K693 VanDerWaalsContact O-CG 3.29Å; A689-K693 WeakPolarHBondContact O-CG 3.29Å
690	R	84.9	Confident	72.1	Confident	122 Å²	122	110.7 Å²	110.7	46%	0.46	56%	0.559	S	S	.	*	H	α-helix	trans	-71.5	-45.5	168.9	-71.7	164.4	-170.9	148.9	5.1	110.4	E683 R686 D687 R688 K693 F694	E683-R690 IonicContact OE1-CZ 3.08Å; E683-R690 IonicContact OE1-NH1 3.9Å; E683-R690 PolarHBondContact OE1-NH1 3.23Å; E683-R690 IonicContact OE1-NH2 3.86Å; E683-R690 PolarHBondContact OE1-NH2 3.01Å; R686-R690 VanDerWaalsContact O-CG 3.25Å; R686-R690 WeakPolarHBondContact O-CG 3.41Å; R686-R690 PolarHBondContact O-N 3.13Å; D687-R690 PolarHBondContact O-N 2.57Å; D687-R690 WeakPolarHBondContact OD1-CD 3.4Å; D687-R690 IonicContact OD1-CZ 2.79Å; D687-R690 IonicContact OD1-NE 2.73Å; D687-R690 IonicContact OD1-NH1 3.68Å; D687-R690 PolarHBondContact OD1-NH1 2.99Å; D687-R690 IonicContact OD2-NH1 2.7Å; R688-R690 VanDerWaalsContact C-N 3.33Å; R688-R690 PolarHBondContact O-N 3.17Å; R690-K693 PolarHBondContact O-N 3.19Å; R690-F694 PolarHBondContact O-N 2.93Å
691	A	77.8	Confident	70	Confident	59 Å²	59	117 Å²	117	49%	0.488	58%	0.583	S	S	.	*	H	α-helix	trans	-64.9	-44.6	-178.4	0	0	0	0	0	112.7	D687 R688 K693 F694	D687-A691 WeakPolarHBondContact O-CB 3.42Å; D687-A691 PolarHBondContact O-N 3.39Å; R688-A691 PolarHBondContact O-N 3.03Å; A691-K693 VanDerWaalsContact C-N 3.31Å; A691-K693 PolarHBondContact O-N 2.73Å; A691-F694 PolarHBondContact O-N 2.83Å; A691-F694 VanDerWaalsContact O-N 3.14Å
692	T	74	Confident	67.8	Low	91 Å²	91	119.6 Å²	119.6	56%	0.558	61%	0.609	S	S	*	*	H	α-helix	trans	-64.6	-33.6	176.9	48.2	0	0	0	0	112.7	R688 A689 F694 L695	R688-T692 PolarHBondContact O-N 3.37Å; R688-T692 PolarHBondContact O-OG1 2.72Å; R688-T692 VanDerWaalsContact O-OG1 3.1Å; A689-T692 PolarHBondContact O-OG1 3.25Å; T692-F694 PolarHBondContact O-N 3.47Å; T692-L695 PolarHBondContact O-N 2.79Å; T692-L695 VanDerWaalsContact O-N 3.11Å
693	K	65.3	Low	65.1	Low	161 Å²	161	124.1 Å²	124.1	70%	0.7	63%	0.631	S	S	*	*	H	α-helix	trans	-68.4	-15.9	174.6	-76.4	178.6	179.9	-179.2	0	114.6	A689 R690 A691 L695	A689-K693 WeakPolarHBondContact O-CD 3.34Å; A689-K693 VanDerWaalsContact O-CG 3.29Å; A689-K693 WeakPolarHBondContact O-CG 3.29Å; R690-K693 PolarHBondContact O-N 3.19Å; A691-K693 VanDerWaalsContact C-N 3.31Å; A691-K693 PolarHBondContact O-N 2.73Å; K693-L695 VanDerWaalsContact C-N 3.31Å
694	F	57.2	Low	62.7	Low	192 Å²	192	124.9 Å²	124.9	84%	0.842	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-3.9	171.9	-98.4	-85.7	0	0	0	113.8	R690 A691 T692	R690-F694 PolarHBondContact O-N 2.93Å; A691-F694 PolarHBondContact O-N 2.83Å; A691-F694 VanDerWaalsContact O-N 3.14Å; T692-F694 PolarHBondContact O-N 3.47Å
695	L	57.4	Low	61	Low	146 Å²	146	125.7 Å²	125.7	76%	0.764	67%	0.667	S	S	*	*	S	Bend	trans	-104.5	1.9	-178.9	-75.3	159.1	0	0	0	114.1	T692 K693 P697	T692-L695 PolarHBondContact O-N 2.79Å; T692-L695 VanDerWaalsContact O-N 3.11Å; K693-L695 VanDerWaalsContact C-N 3.31Å; L695-P697 WeakPolarHBondContact O-CD 3.32Å
696	E	44.5	Very low	59.1	Low	133 Å²	133	126.8 Å²	126.8	62%	0.621	68%	0.683	S	S	*	*			trans	-79.7	119.5	170.9	-74.9	-166.5	161.2	0	0	111.8	K698	E696-K698 PolarHBondContact O-N 2.95Å
697	P	47.7	Very low	56.5	Low	122 Å²	122	129.6 Å²	129.6	79%	0.792	70%	0.699	S	S	*	*			trans	-80.4	81	179	32.9	-35.2	0	0	0	111.9	L695 V699	L695-P697 WeakPolarHBondContact O-CD 3.32Å; P697-V699 PolarHBondContact O-N 2.8Å; P697-V699 VanDerWaalsContact O-N 3.08Å
698	K	41.8	Very low	54.5	Low	185 Å²	185	131.7 Å²	131.7	80%	0.804	72%	0.717	S	S	*	*			trans	-75.7	94.8	173	-85.8	-173.2	176.7	175.1	0	112.7	E696 S700	E696-K698 PolarHBondContact O-N 2.95Å; K698-S700 PolarHBondContact O-N 1.79Å
699	V	48	Very low	52.2	Low	142 Å²	142	131 Å²	131	86%	0.861	73%	0.734	S	S	*	*			trans	-79.2	103.4	164.9	-179.3	0	0	0	0	110.1	P697	P697-V699 PolarHBondContact O-N 2.8Å; P697-V699 VanDerWaalsContact O-N 3.08Å
700	S	33.2	Very low	49.9	Very low	109 Å²	109	140.2 Å²	140.2	76%	0.762	76%	0.76	S	S	*	*			trans	-166.2	135.4	142.4	-166.5	0	0	0	0	110.8	K698	K698-S700 PolarHBondContact O-N 1.79Å
701	F	46.8	Very low	47.4	Very low	213 Å²	213	139.5 Å²	139.5	93%	0.934	77%	0.769	S	S	*	*			trans	-91.7	128.8	170.9	-95.2	-109.5	0	0	0	110
702	A	44.1	Very low	45.2	Very low	93 Å²	93	145.7 Å²	145.7	77%	0.769	79%	0.785	S	S	*	*			trans	160	102.1	137.7	0	0	0	0	0	110.9
703	D	33.5	Very low	43.8	Very low	170 Å²	170	146.4 Å²	146.4	91%	0.909	79%	0.791	S	S	*	*				-169.3	167.9	106.4	-124.2	-36.5	0	0	0	112.2
704	A	39.4	Very low	42	Very low	80 Å²	80	143.4 Å²	143.4	66%	0.661	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-82.8	149	-171.1	0	0	0	0	0	114.8
705	P	52.2	Low	40.8	Very low	116 Å²	116	145 Å²	145	75%	0.753	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-75.7	137.8	-177.2	30	-35.3	0	0	0	113.2
706	P	46.6	Very low	39.7	Very low	127 Å²	127	147 Å²	147	83%	0.825	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-69.5	136.4	173.1	28.7	-33.7	0	0	0	111.6
707	K	36	Very low	38.9	Very low	192 Å²	192	143.7 Å²	143.7	84%	0.835	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-75	149	-177.8	-70.4	174.8	179.1	171.6	0	112.2	S709	K707-S709 PolarHBondContact O-N 3.19Å
708	P	44	Very low	38.2	Very low	128 Å²	128	144.9 Å²	144.9	83%	0.831	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-72.3	124.8	179.7	28.9	-34.7	0	0	0	112.6
709	S	38.5	Very low	37.8	Very low	128 Å²	128	141.5 Å²	141.5	90%	0.895	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-80.5	144.7	172.3	-53.3	0	0	0	0	112	K707	K707-S709 PolarHBondContact O-N 3.19Å
710	R	36.2	Very low	37.1	Very low	235 Å²	235	142.5 Å²	142.5	89%	0.887	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-99.4	136.2	-163.1	-165.1	171.8	-178.1	172.9	-0.6	112.4
711	T	32.3	Very low	36.8	Very low	107 Å²	107	142.6 Å²	142.6	66%	0.656	79%	0.79	S	S	*	*			trans	-23.2	152.9	158.4	58	0	0	0	0	115.9
712	K	31.6	Very low	36	Very low	189 Å²	189	140.7 Å²	140.7	82%	0.822	79%	0.788	S	S	*	*			cis	-178.2	-157	23.7	-122.6	170.6	-173.9	178.4	0	107.1
713	P	42.7	Very low	35.2	Very low	107 Å²	107	139.5 Å²	139.5	70%	0.695	79%	0.785	S	S	*	*			cis	-136.2	170.9	-11.1	36.2	-16.7	0	0	0	118
714	S	28	Very low	34.9	Very low	97 Å²	97	139.2 Å²	139.2	68%	0.678	78%	0.782	S	S	*	*			trans	73	148.3	149.9	-113.3	0	0	0	0	119.4
715	R	32.3	Very low	34.3	Very low	227 Å²	227	143.7 Å²	143.7	86%	0.857	79%	0.789	S	S	*	*			cis	-125.1	148.1	14.1	-76.8	-176.5	176.2	174	-0.8	114.4
716	F	33.7	Very low	33.3	Very low	188 Å²	188	145.6 Å²	145.6	83%	0.825	79%	0.791	S	S	*	*			trans	4.8	141.4	154.6	-56.2	-91.2	0	0	0	120.3
717	G	28.7	Very low	32.4	Very low	62 Å²	62	147.9 Å²	147.9	64%	0.639	79%	0.791	S	S	*	*			cis	-170.2	145	0.2	0	0	0	0	0	110.8
718	N	32.8	Very low	32.1	Very low	148 Å²	148	146.5 Å²	146.5	79%	0.791	79%	0.792	S	S	*	*				69.2	129.5	87.7	-79.7	34	0	0	0	114.2
719	T	32.5	Very low	31.1	Very low	113 Å²	113	147.6 Å²	147.6	69%	0.693	79%	0.791	S	S	*	*			cis	-174.2	168.9	-17.1	10.7	0	0	0	0	105.5
720	L	33.7	Very low	30.7	Very low	163 Å²	163	149.5 Å²	149.5	85%	0.853	79%	0.785	S	S	*	*			cis	-144.2	161.5	35	-77.9	166.8	0	0	0	111.6
721	S	28.3	Very low	30.3	Very low	112 Å²	112	142.8 Å²	142.8	78%	0.783	78%	0.78	S	S	*	*			trans	-102.4	165.5	171.5	56.1	0	0	0	0	112.8
722	I	29.6	Very low	30.1	Very low	173 Å²	173	145.9 Å²	145.9	89%	0.887	79%	0.792	S	S	*	*			trans	-51.4	144.8	173.9	-69.3	159.4	0	0	0	112.6
723	G	25.8	Very low	30	Very low	68 Å²	68	142.9 Å²	142.9	70%	0.701	79%	0.793	S	S	*	*			trans	174	104.5	158.3	0	0	0	0	0	113.3
724	L	29.1	Very low	29.3	Very low	163 Å²	163	142 Å²	142	85%	0.853	80%	0.795	S	S	*	*			trans	-159.6	137.8	147.7	-115.1	172.9	0	0	0	111.7
725	H	26.2	Very low	29.4	Very low	174 Å²	174	142.8 Å²	142.8	81%	0.806	80%	0.8	S	S	*	*			trans	-81.4	130.6	170.7	-160.8	-75.6	0	0	0	107.6
726	I	31.4	Very low	29.2	Very low	156 Å²	156	137.3 Å²	137.3	80%	0.8	80%	0.797	S	S	*	*			trans	-122.1	135.9	172	-65.7	-176	0	0	0	109.2
727	Q	27.6	Very low	29.6	Very low	175 Å²	175	133.5 Å²	133.5	82%	0.818	79%	0.791	S	S	*	*			trans	-101.6	150.7	-173.6	-175.4	171.8	-11.5	0	0	109.3
728	L	28.3	Very low	29.5	Very low	163 Å²	163	137.3 Å²	137.3	85%	0.853	80%	0.797	S	S	*	*			trans	-56.5	144	177.6	-107.6	100.7	0	0	0	112.2
729	N	24.9	Very low	29.2	Very low	151 Å²	151	137.9 Å²	137.9	81%	0.807	80%	0.799	S	S	*	*			trans	-153.2	167	131	-146.8	-0.3	0	0	0	112.3
730	E	28.3	Very low	29	Very low	169 Å²	169	137.3 Å²	137.3	79%	0.79	81%	0.805	S	S	*	*			trans	-92	-177.4	-172.8	-58.8	176.3	101.8	0	0	114.3
731	A	28.2	Very low	28.6	Very low	94 Å²	94	135.2 Å²	135.2	78%	0.777	80%	0.804	S	S	*	*			trans	68.8	133.1	-175.9	0	0	0	0	0	114.6
732	L	29.1	Very low	29.2	Very low	171 Å²	171	135.6 Å²	135.6	90%	0.895	80%	0.804	S	S	*	*			cis	-137.6	160.2	40.6	-82.4	156.8	0	0	0	114.2
733	C	28.9	Very low	29.1	Very low	127 Å²	127	133.5 Å²	133.5	86%	0.858	80%	0.804	S	S	*	*			trans	-109.6	170.6	171.9	-71.7	0	0	0	0	112.1
734	A	28.4	Very low	29.1	Very low	87 Å²	87	138 Å²	138	72%	0.719	81%	0.806	S	S	*	*			trans	89	120.2	149	0	0	0	0	0	121.2
735	S	30.4	Very low	29	Very low	114 Å²	114	141.3 Å²	141.3	80%	0.797	81%	0.809	S	S	*	*				62.1	124.8	129.7	64.4	0	0	0	0	123.3
736	S	27.6	Very low	28.9	Very low	112 Å²	112	141 Å²	141	78%	0.783	81%	0.808	S	S	*	*			trans	-50.8	167.3	144.7	-47.8	0	0	0	0	112.5
737	P	41.6	Very low	28.8	Very low	108 Å²	108	138.8 Å²	138.8	70%	0.701	81%	0.806	S	S	*	*			cis	-152	179	37.5	43.9	-22.1	0	0	0	120.5
738	D	26.8	Very low	29.1	Very low	142 Å²	142	135.7 Å²	135.7	76%	0.759	80%	0.802	S	S	*	*			trans	86.2	143.5	138.4	-90.7	-38.6	0	0	0	125.3
739	L	26.6	Very low	29.2	Very low	161 Å²	161	135.1 Å²	135.1	84%	0.843	80%	0.798	S	S	*	*			trans	57.8	99	153.5	-65.2	169.7	0	0	0	121.6
740	A	27.3	Very low	29.3	Very low	100 Å²	100	134.5 Å²	134.5	83%	0.826	79%	0.794	S	S	*	*			trans	-160.4	145	130.7	0	0	0	0	0	112.9
741	S	27.1	Very low	29.2	Very low	119 Å²	119	130.8 Å²	130.8	83%	0.832	79%	0.787	S	S	*	*			trans	-167.8	160.5	167.3	-78	0	0	0	0	108.7
742	P	39.2	Very low	29.3	Very low	120 Å²	120	137 Å²	137	78%	0.779	79%	0.791	S	S	*	*			cis	-118.4	-164	-14.4	40.4	-26.1	0	0	0	110.9
743	C	27.4	Very low	29.2	Very low	130 Å²	130	136.7 Å²	136.7	88%	0.878	79%	0.789	S	S	*	*			trans	-137.6	141.6	151.1	-158.3	0	0	0	0	109.7
744	E	26.4	Very low	29.1	Very low	162 Å²	162	136.4 Å²	136.4	76%	0.757	78%	0.784	S	S	*	*			trans	-89.4	153.7	-173.2	-53	174.5	128.4	0	0	111.2
745	Y	26.5	Very low	29.1	Very low	233 Å²	233	140 Å²	140	91%	0.914	79%	0.791	S	S	*	*			trans	-151.5	154.8	141.8	-127.4	-85.6	0	0	0	111.8
746	Q	25.5	Very low	28.9	Very low	168 Å²	168	138.1 Å²	138.1	79%	0.785	78%	0.782	S	S	*	*			trans	-98.4	157.8	-156.7	-63.9	168.1	-19.2	0	0	114.8
747	S	28.8	Very low	28.8	Very low	109 Å²	109	140.6 Å²	140.6	76%	0.762	79%	0.785	S	S	*	*			trans	-104.8	136.3	171.2	57.6	0	0	0	0	113.1
748	P	34	Very low	28.5	Very low	110 Å²	110	140.4 Å²	140.4	71%	0.714	78%	0.784	S	S	*	*			trans	-110.7	148.6	140	-5.1	26.6	0	0	0	110
749	I	29.1	Very low	28.5	Very low	151 Å²	151	139.9 Å²	139.9	77%	0.774	79%	0.786	S	S	*	*				65.4	117.8	56.3	-55.6	166.6	0	0	0	110
750	D	27.5	Very low	28.5	Very low	138 Å²	138	143.4 Å²	143.4	74%	0.738	79%	0.788	S	S	*	*			cis	-153	163.5	9.6	-143.2	-31	0	0	0	114.8
751	S	27.6	Very low	28.5	Very low	91 Å²	91	143.4 Å²	143.4	64%	0.636	78%	0.782	S	S	*	*			trans	23.4	134.8	149	-69.4	0	0	0	0	125.6
752	R	28.7	Very low	29.1	Very low	225 Å²	225	142.5 Å²	142.5	85%	0.849	77%	0.773	S	S	*	*			trans	68.6	114.9	140.9	-75.7	178	160.8	155	-5.5	121.3
753	N	27.8	Very low	28.7	Very low	163 Å²	163	148.1 Å²	148.1	87%	0.872	78%	0.779	S	S	*	*				-165.8	174.1	106.5	-97.2	-31.9	0	0	0	111.7
754	T	27.6	Very low	28.9	Very low	121 Å²	121	153.5 Å²	153.5	74%	0.742	78%	0.781	S	S	*	*			trans	-134.8	154.8	-157.7	-30.1	0	0	0	0	113.8
755	L	27.1	Very low	28.9	Very low	164 Å²	164	155.4 Å²	155.4	86%	0.859	78%	0.781	S	S	*	*			trans	75.3	152.3	169.1	-50	175.9	0	0	0	115.1
756	A	26.2	Very low	28.9	Very low	74 Å²	74	149.7 Å²	149.7	61%	0.612	78%	0.775	S	S	*	*			cis	-163.5	157.4	1.1	0	0	0	0	0	114.1
757	L	26.4	Very low	29.1	Very low	163 Å²	163	148.1 Å²	148.1	85%	0.853	77%	0.769	S	S	*	*			trans	69.5	171	146.5	-63.4	170	0	0	0	119.2
758	P	35.7	Very low	28.9	Very low	105 Å²	105	146.3 Å²	146.3	68%	0.682	77%	0.768	S	S	*	*				-145.2	-178.8	-52.7	44.4	-28.5	0	0	0	117.7
759	V	26.9	Very low	28.6	Very low	131 Å²	131	150.7 Å²	150.7	79%	0.794	78%	0.779	S	S	*	*			trans	79.3	111.1	147.3	165	0	0	0	0	122.8
760	R	26.8	Very low	28.5	Very low	234 Å²	234	149.4 Å²	149.4	88%	0.883	78%	0.784	S	S	*	*				14.7	155	127.9	-79	-179.4	176.6	175.9	-0.6	120.6
761	S	26.3	Very low	28.6	Very low	101 Å²	101	150.1 Å²	150.1	71%	0.706	78%	0.782	S	S	*	*			cis	-172.3	-136	-0.7	50.5	0	0	0	0	107.5
762	P	39.2	Very low	28.6	Very low	99 Å²	99	156 Å²	156	64%	0.643	80%	0.797	S	S	*	*			cis	-139.5	159.9	-16.5	39.9	-20.8	0	0	0	118.6
763	R	30.9	Very low	28.8	Very low	238 Å²	238	152.6 Å²	152.6	90%	0.898	79%	0.792	S	S	*	*			trans	52.9	145.8	139.6	-63	171.4	173.6	170.2	-4.1	121.1
764	R	31.5	Very low	29.1	Very low	243 Å²	243	156.6 Å²	156.6	92%	0.917	80%	0.795	S	S	*	*			cis	-154.4	-163.1	46.4	-63.3	174.4	173.4	-148.5	0.7	111.1
765	R	27.4	Very low	29.5	Very low	202 Å²	202	158.8 Å²	158.8	76%	0.762	80%	0.799	S	S	*	*				-180	109.3	-76.4	-176.2	-143.2	-177.5	-164.6	5.4	110.8	M767	R765-M767 PolarHBondContact NH2-SD 2.93Å
766	S	25.7	Very low	30	Very low	113 Å²	113	159.3 Å²	159.3	79%	0.79	80%	0.797	S	S	*	*			trans	-155.3	105.2	155	-159.7	0	0	0	0	107.9
767	M	29.9	Very low	30.7	Very low	135 Å²	135	159 Å²	159	67%	0.665	79%	0.788	S	S	*	*				72.4	119.2	76.3	-63.5	-76.6	-68.1	0	0	112.8	R765	R765-M767 PolarHBondContact NH2-SD 2.93Å
768	G	24.5	Very low	31.8	Very low	72 Å²	72	159.4 Å²	159.4	74%	0.742	79%	0.792	S	S	*	*			cis	164.1	168	-9	0	0	0	0	0	114.1
769	E	28.6	Very low	33.1	Very low	202 Å²	202	156.5 Å²	156.5	94%	0.944	77%	0.774	S	S	*	*			trans	-152.2	169.5	165.3	-132.1	165.2	-146	0	0	109.6
770	S	25.9	Very low	34.4	Very low	124 Å²	124	160.4 Å²	160.4	87%	0.867	77%	0.774	S	S	*	*			trans	-101.5	153.2	-147.8	-63.4	0	0	0	0	117.6
771	E	30.1	Very low	36	Very low	152 Å²	152	156 Å²	156	71%	0.71	76%	0.764	S	S	*	*			trans	-58.6	136.1	-166.1	-58.8	170.6	121.5	0	0	117.6
772	F	27.8	Very low	37.7	Very low	216 Å²	216	154.7 Å²	154.7	95%	0.947	75%	0.749	S	S	*	*			trans	-130.2	111.2	130.2	-109	-88.4	0	0	0	108.6	R774	F772-R774 PolarHBondContact O-N 2.89Å
773	M	31.7	Very low	38.7	Very low	152 Å²	152	152 Å²	152	75%	0.749	74%	0.735	S	S	*	*			trans	-77.7	114.5	-177.3	-79.5	-86.8	-163.5	0	0	111.6	M775	M773-M775 PolarHBondContact O-N 2.97Å
774	R	35.8	Very low	40.1	Very low	248 Å²	248	146.1 Å²	146.1	94%	0.936	72%	0.718	S	S	*	*			trans	-75.8	115.4	155.6	-66.8	-167.6	-162.6	-169.4	7	108.2	F772	F772-R774 PolarHBondContact O-N 2.89Å
775	M	35.7	Very low	41.7	Very low	166 Å²	166	139.4 Å²	139.4	82%	0.818	70%	0.697	S	S	*	*			trans	-105	114.9	177.2	-163.4	170.1	-171.2	0	0	108.8	M773	M773-M775 PolarHBondContact O-N 2.97Å
776	E	36.7	Very low	43.6	Very low	176 Å²	176	133.3 Å²	133.3	82%	0.822	68%	0.679	S	S	*	*			trans	-69.5	130.5	178.8	-65.3	-175.4	133.4	0	0	110.5	N778	E776-N778 PolarHBondContact O-N 2.89Å
777	P	40.8	Very low	45.3	Very low	66 Å²	66	135.1 Å²	135.1	43%	0.429	67%	0.668	S	S	.	*			trans	-76.8	116	-175.6	28.7	-33.1	0	0	0	111.7	S779 D782 A783 L786	P777-S779 VanDerWaalsContact C-N 3.27Å; P777-S779 PolarHBondContact O-N 2.84Å; P777-D782 HydrophobicContact CB-CB 3.81Å; P777-A783 HydrophobicContact CB-CB 4.18Å; P777-A783 HydrophobicContact CG-CB 4.17Å; P777-L786 HydrophobicContact CB-CD1 4.17Å; P777-L786 HydrophobicContact CG-CD1 4.37Å
778	N	50	Low	47.1	Very low	173 Å²	173	134.1 Å²	134.1	93%	0.925	66%	0.662	S	S	*	*	S	Bend	trans	-82	0.6	175.2	-98.6	-24	0	0	0	113.8	E776	E776-N778 PolarHBondContact O-N 2.89Å
779	S	62.7	Low	49.1	Very low	44 Å²	44	137.1 Å²	137.1	31%	0.308	65%	0.651	S	S	.	*	S	Bend	trans	-139.4	159.8	174.4	84.7	0	0	0	0	113	P777 E781 D782 A783	P777-S779 VanDerWaalsContact C-N 3.27Å; P777-S779 PolarHBondContact O-N 2.84Å; S779-E781 PolarHBondContact O-N 2.72Å; S779-E781 PolarHBondContact OG-N 3.08Å; S779-D782 VanDerWaalsContact CB-OD2 3.31Å; S779-D782 WeakPolarHBondContact CB-OD2 3.16Å; S779-D782 PolarHBondContact N-OD2 3.31Å; S779-D782 PolarHBondContact OG-N 2.92Å; S779-D782 PolarHBondContact OG-OD2 3.04Å; S779-A783 PolarHBondContact O-N 2.96Å
780	R	54.3	Low	50.6	Low	212 Å²	212	133.6 Å²	133.6	80%	0.8	64%	0.635	S	S	*	*	H	α-helix	trans	-66.1	-26.7	175.1	-171.4	177.9	-177.6	-175	0.8	112.4	Q784	R780-Q784 PolarHBondContact O-N 2.69Å
781	E	61.1	Low	52.3	Low	142 Å²	142	133.8 Å²	133.8	66%	0.664	62%	0.617	S	S	*	*	H	α-helix	trans	-80.4	-40.3	-178.1	-69.4	164.2	-171.2	0	0	110.7	S779 A783 Q784 Q785	S779-E781 PolarHBondContact O-N 2.72Å; S779-E781 PolarHBondContact OG-N 3.08Å; E781-A783 VanDerWaalsContact C-N 3.32Å; E781-A783 PolarHBondContact O-N 2.73Å; E781-Q784 PolarHBondContact O-N 2.85Å; E781-Q785 PolarHBondContact O-N 3.38Å
782	D	62.1	Low	54	Low	73 Å²	73	132.7 Å²	132.7	39%	0.39	61%	0.611	S	S	.	*	H	α-helix	trans	-58.8	-43.3	171.2	-64.2	-53.6	0	0	0	111.5	P777 S779 Q784 Q785 L786	P777-D782 HydrophobicContact CB-CB 3.81Å; S779-D782 VanDerWaalsContact CB-OD2 3.31Å; S779-D782 WeakPolarHBondContact CB-OD2 3.16Å; S779-D782 PolarHBondContact N-OD2 3.31Å; S779-D782 PolarHBondContact OG-N 2.92Å; S779-D782 PolarHBondContact OG-OD2 3.04Å; D782-Q784 VanDerWaalsContact C-N 3.33Å; D782-Q784 PolarHBondContact O-N 3.1Å; D782-Q785 PolarHBondContact O-N 2.83Å; D782-L786 WeakPolarHBondContact O-CB 3.42Å; D782-L786 PolarHBondContact O-N 3.49Å
783	A	59.4	Low	56.2	Low	42 Å²	42	128.9 Å²	128.9	35%	0.347	60%	0.596	S	S	.	*	H	α-helix	trans	-62.1	-38.2	177.2	0	0	0	0	0	112.4	P777 S779 E781 W787	P777-A783 HydrophobicContact CB-CB 4.18Å; P777-A783 HydrophobicContact CG-CB 4.17Å; S779-A783 PolarHBondContact O-N 2.96Å; E781-A783 VanDerWaalsContact C-N 3.32Å; E781-A783 PolarHBondContact O-N 2.73Å; A783-W787 WeakPolarHBondContact O-CB 3.33Å; A783-W787 PolarHBondContact O-N 2.71Å
784	Q	60.2	Low	57.5	Low	116 Å²	116	127.2 Å²	127.2	54%	0.542	59%	0.588	S	S	.	*	H	α-helix	trans	-70.1	-38.2	174.3	-75.5	-171.9	-44.8	0	0	112.6	R780 E781 D782 W787 Q788	R780-Q784 PolarHBondContact O-N 2.69Å; E781-Q784 PolarHBondContact O-N 2.85Å; D782-Q784 VanDerWaalsContact C-N 3.33Å; D782-Q784 PolarHBondContact O-N 3.1Å; Q784-W787 PolarHBondContact O-N 3.46Å; Q784-Q788 WeakPolarHBondContact O-CB 2.97Å; Q784-Q788 WeakPolarHBondContact O-CG 3.47Å; Q784-Q788 PolarHBondContact O-N 2.83Å
785	Q	65.8	Low	59	Low	101 Å²	101	120.8 Å²	120.8	47%	0.472	57%	0.568	S	S	.	*	H	α-helix	trans	-67.4	-39.4	175	-70.3	-171.7	33.6	0	0	112.5	E781 D782 Q788 R789	E781-Q785 PolarHBondContact O-N 3.38Å; D782-Q785 PolarHBondContact O-N 2.83Å; Q785-Q788 PolarHBondContact O-N 2.63Å; Q785-R789 VanDerWaalsContact O-CB 3.29Å; Q785-R789 WeakPolarHBondContact O-CB 3.42Å; Q785-R789 PolarHBondContact O-N 3.15Å
786	L	67.4	Low	60.5	Low	75 Å²	75	116.8 Å²	116.8	39%	0.393	55%	0.548	S	S	.	.	H	α-helix	trans	-59.1	-52	172.3	-90.1	159.2	0	0	0	110.8	P777 D782 Q788 R789 E790	P777-L786 HydrophobicContact CB-CD1 4.17Å; P777-L786 HydrophobicContact CG-CD1 4.37Å; D782-L786 WeakPolarHBondContact O-CB 3.42Å; D782-L786 PolarHBondContact O-N 3.49Å; L786-Q788 VanDerWaalsContact C-N 3.33Å; L786-Q788 PolarHBondContact O-N 3.13Å; L786-R789 PolarHBondContact O-N 2.8Å; L786-R789 VanDerWaalsContact O-N 3.13Å; L786-E790 VanDerWaalsContact O-CB 3.3Å; L786-E790 WeakPolarHBondContact O-CB 3.47Å; L786-E790 PolarHBondContact O-N 2.63Å
787	W	61.4	Low	61.8	Low	150 Å²	150	111.1 Å²	111.1	57%	0.568	53%	0.525	S	S	*	.	H	α-helix	trans	-60.7	-38.9	179.3	-173.1	82	0	0	0	113.3	A783 Q784 R791	A783-W787 WeakPolarHBondContact O-CB 3.33Å; A783-W787 PolarHBondContact O-N 2.71Å; Q784-W787 PolarHBondContact O-N 3.46Å; W787-R791 WeakPolarHBondContact O-CB 3.46Å; W787-R791 PolarHBondContact O-N 2.85Å
788	Q	67.8	Low	62.8	Low	114 Å²	114	112.3 Å²	112.3	53%	0.533	53%	0.527	S	S	.	.	H	α-helix	trans	-65.3	-41.9	174.5	-74.7	178.8	8.3	0	0	112.3	Q784 Q785 L786 Q792	Q784-Q788 WeakPolarHBondContact O-CB 2.97Å; Q784-Q788 WeakPolarHBondContact O-CG 3.47Å; Q784-Q788 PolarHBondContact O-N 2.83Å; Q785-Q788 PolarHBondContact O-N 2.63Å; L786-Q788 VanDerWaalsContact C-N 3.33Å; L786-Q788 PolarHBondContact O-N 3.13Å; Q788-Q792 WeakPolarHBondContact O-CG 3.45Å; Q788-Q792 PolarHBondContact O-N 3.49Å
789	R	66.8	Low	64	Low	136 Å²	136	109.5 Å²	109.5	51%	0.513	50%	0.504	S	S	.	.	H	α-helix	trans	-69	-39.5	179.4	-166.9	179.4	-62.4	111.7	0.8	112.1	Q785 L786 Q792 H793	Q785-R789 VanDerWaalsContact O-CB 3.29Å; Q785-R789 WeakPolarHBondContact O-CB 3.42Å; Q785-R789 PolarHBondContact O-N 3.15Å; L786-R789 PolarHBondContact O-N 2.8Å; L786-R789 VanDerWaalsContact O-N 3.13Å; R789-Q792 PolarHBondContact O-N 3.13Å; R789-H793 PolarHBondContact O-N 3.31Å
790	E	59.1	Low	64.4	Low	128 Å²	128	111 Å²	111	60%	0.598	51%	0.508	S	S	*	.	H	α-helix	trans	-67.6	-41.8	175.4	-172.3	168.9	-126.3	0	0	111.6	L786 Q792 H793 M794	L786-E790 VanDerWaalsContact O-CB 3.3Å; L786-E790 WeakPolarHBondContact O-CB 3.47Å; L786-E790 PolarHBondContact O-N 2.63Å; E790-Q792 PolarHBondContact O-N 2.91Å; E790-H793 PolarHBondContact O-N 3.09Å; E790-M794 WeakPolarHBondContact O-CB 3.3Å; E790-M794 PolarHBondContact O-N 3Å
791	R	62.4	Low	64.4	Low	128 Å²	128	106.1 Å²	106.1	48%	0.483	49%	0.494	S	S	.	.	H	α-helix	trans	-61.5	-40.7	170.4	173.8	178.1	158.5	177.2	-4.6	112.5	W787 M794 Q795	W787-R791 WeakPolarHBondContact O-CB 3.46Å; W787-R791 PolarHBondContact O-N 2.85Å; R791-M794 PolarHBondContact O-N 3.32Å; R791-Q795 WeakPolarHBondContact O-CG 3.4Å; R791-Q795 PolarHBondContact O-N 2.98Å
792	Q	65.5	Low	64.3	Low	129 Å²	129	106 Å²	106	60%	0.603	49%	0.491	S	S	*	.	H	α-helix	trans	-64.2	-44.7	175.2	-78.9	174	-18.7	0	0	111.5	Q788 R789 E790 M794 Q795 E796	Q788-Q792 WeakPolarHBondContact O-CG 3.45Å; Q788-Q792 PolarHBondContact O-N 3.49Å; R789-Q792 PolarHBondContact O-N 3.13Å; E790-Q792 PolarHBondContact O-N 2.91Å; Q792-M794 PolarHBondContact O-N 3.23Å; Q792-Q795 PolarHBondContact O-N 2.88Å; Q792-E796 PolarHBondContact O-N 2.93Å
793	H	74.5	Confident	64.4	Low	136 Å²	136	107.2 Å²	107.2	63%	0.63	50%	0.495	S	S	*	.	H	α-helix	trans	-57.7	-48.2	174.8	-174.4	-78.5	0	0	0	111.6	R789 E790 Q795 E796 T797	R789-H793 PolarHBondContact O-N 3.31Å; E790-H793 PolarHBondContact O-N 3.09Å; H793-Q795 VanDerWaalsContact C-N 3.32Å; H793-Q795 PolarHBondContact O-N 3.28Å; H793-E796 PolarHBondContact O-N 3.41Å; H793-T797 PolarHBondContact O-N 3.36Å; H793-T797 PolarHBondContact O-OG1 2.9Å
794	M	58.3	Low	64.5	Low	117 Å²	117	110 Å²	110	58%	0.576	50%	0.5	S	S	*	.	H	α-helix	trans	-59.7	-39.4	176.8	-173.1	-171.2	-62.2	0	0	112.7	E790 R791 Q792 L798	E790-M794 WeakPolarHBondContact O-CB 3.3Å; E790-M794 PolarHBondContact O-N 3Å; R791-M794 PolarHBondContact O-N 3.32Å; Q792-M794 PolarHBondContact O-N 3.23Å; M794-L798 PolarHBondContact O-N 3.2Å; M794-L798 VanDerWaalsContact O-N 3.09Å
795	Q	66.2	Low	64.5	Low	112 Å²	112	110.2 Å²	110.2	52%	0.523	50%	0.503	S	S	.	.	H	α-helix	trans	-68.2	-35.8	175.9	-74.7	-173.7	-50.4	0	0	112.5	R791 Q792 H793 L798 R799	R791-Q795 WeakPolarHBondContact O-CG 3.4Å; R791-Q795 PolarHBondContact O-N 2.98Å; Q792-Q795 PolarHBondContact O-N 2.88Å; H793-Q795 VanDerWaalsContact C-N 3.32Å; H793-Q795 PolarHBondContact O-N 3.28Å; Q795-L798 PolarHBondContact O-N 3.48Å; Q795-R799 PolarHBondContact O-N 3.39Å
796	E	68.4	Low	64.3	Low	82 Å²	82	112.5 Å²	112.5	38%	0.383	51%	0.511	S	S	.	.	H	α-helix	trans	-74	-36.5	175.7	-170.8	62.6	-174.1	0	0	112.2	Q792 H793 L798 R799 I800	Q792-E796 PolarHBondContact O-N 2.93Å; H793-E796 PolarHBondContact O-N 3.41Å; E796-L798 VanDerWaalsContact C-N 3.32Å; E796-L798 PolarHBondContact O-N 3.4Å; E796-R799 VanDerWaalsContact CD-NE 3.34Å; E796-R799 WeakPolarHBondContact O-CA 3.29Å; E796-R799 WeakPolarHBondContact O-CB 3.49Å; E796-R799 PolarHBondContact O-N 2.74Å; E796-R799 IonicContact OE1-CZ 3.5Å; E796-R799 IonicContact OE1-NE 2.64Å; E796-R799 PolarHBondContact OE1-NE 2.97Å; E796-R799 VanDerWaalsContact OE1-NE 3.13Å; E796-R799 IonicContact OE1-NH2 3.34Å; E796-R799 PolarHBondContact OE1-NH2 3.19Å; E796-R799 WeakPolarHBondContact OE2-CD 3.28Å; E796-R799 IonicContact OE2-CZ 3.53Å; E796-R799 IonicContact OE2-NE 3.05Å; E796-R799 PolarHBondContact OE2-NE 2.95Å; E796-R799 IonicContact OE2-NH2 2.7Å; E796-I800 HydrophobicContact CG-CD1 4.21Å; E796-I800 WeakPolarHBondContact O-CG1 3.31Å; E796-I800 PolarHBondContact O-N 3.46Å
797	T	63.9	Low	63.9	Low	57 Å²	57	115 Å²	115	35%	0.35	52%	0.521	S	S	.	.	H	α-helix	trans	-58.4	-44.6	170.4	-48.7	0	0	0	0	111.2	H793 R799 I800 Q801	H793-T797 PolarHBondContact O-N 3.36Å; H793-T797 PolarHBondContact O-OG1 2.9Å; T797-R799 VanDerWaalsContact C-N 3.26Å; T797-R799 PolarHBondContact O-N 3.25Å; T797-I800 PolarHBondContact O-N 2.88Å; T797-Q801 WeakPolarHBondContact O-CG 3.31Å; T797-Q801 PolarHBondContact O-N 3.03Å
798	L	61.8	Low	63.3	Low	91 Å²	91	112.6 Å²	112.6	48%	0.476	52%	0.519	S	S	.	.	H	α-helix	trans	-66.5	-24.2	174	-84	164.3	0	0	0	113.8	M794 Q795 E796 K802	M794-L798 PolarHBondContact O-N 3.2Å; M794-L798 VanDerWaalsContact O-N 3.09Å; Q795-L798 PolarHBondContact O-N 3.48Å; E796-L798 VanDerWaalsContact C-N 3.32Å; E796-L798 PolarHBondContact O-N 3.4Å; L798-K802 WeakPolarHBondContact O-CG 3.47Å; L798-K802 PolarHBondContact O-N 3.33Å
799	R	75.9	Confident	62.4	Low	114 Å²	114	113.1 Å²	113.1	43%	0.43	52%	0.52	S	S	.	.	H	α-helix	trans	-74.6	-49.8	173.7	-158.6	-178.3	71.4	68.4	9.4	110.2	Q795 E796 T797 Q801 K802 E803	Q795-R799 PolarHBondContact O-N 3.39Å; E796-R799 VanDerWaalsContact CD-NE 3.34Å; E796-R799 WeakPolarHBondContact O-CA 3.29Å; E796-R799 WeakPolarHBondContact O-CB 3.49Å; E796-R799 PolarHBondContact O-N 2.74Å; E796-R799 IonicContact OE1-CZ 3.5Å; E796-R799 IonicContact OE1-NE 2.64Å; E796-R799 PolarHBondContact OE1-NE 2.97Å; E796-R799 VanDerWaalsContact OE1-NE 3.13Å; E796-R799 IonicContact OE1-NH2 3.34Å; E796-R799 PolarHBondContact OE1-NH2 3.19Å; E796-R799 WeakPolarHBondContact OE2-CD 3.28Å; E796-R799 IonicContact OE2-CZ 3.53Å; E796-R799 IonicContact OE2-NE 3.05Å; E796-R799 PolarHBondContact OE2-NE 2.95Å; E796-R799 IonicContact OE2-NH2 2.7Å; T797-R799 VanDerWaalsContact C-N 3.26Å; T797-R799 PolarHBondContact O-N 3.25Å; R799-Q801 PolarHBondContact O-N 3.29Å; R799-K802 PolarHBondContact O-N 3.17Å; R799-K802 VanDerWaalsContact O-N 3.13Å; R799-E803 IonicContact CZ-OE2 2.92Å; R799-E803 IonicContact NH1-OE1 3.65Å; R799-E803 PolarHBondContact NH1-OE1 2.89Å; R799-E803 IonicContact NH1-OE2 3.3Å; R799-E803 PolarHBondContact NH1-OE2 3.02Å; R799-E803 IonicContact NH2-OE2 2.74Å; R799-E803 PolarHBondContact O-N 2.86Å
800	I	71.3	Confident	61.7	Low	75 Å²	75	113.6 Å²	113.6	39%	0.385	53%	0.526	S	S	.	.	H	α-helix	trans	-57.8	-47.4	177.2	-66.8	164.6	0	0	0	110.9	E796 T797 K802 E803 Q804	E796-I800 HydrophobicContact CG-CD1 4.21Å; E796-I800 WeakPolarHBondContact O-CG1 3.31Å; E796-I800 PolarHBondContact O-N 3.46Å; T797-I800 PolarHBondContact O-N 2.88Å; I800-K802 VanDerWaalsContact C-N 3.28Å; I800-K802 PolarHBondContact O-N 3.44Å; I800-E803 WeakPolarHBondContact O-CA 3.41Å; I800-E803 WeakPolarHBondContact O-CB 3.39Å; I800-E803 PolarHBondContact O-N 3.45Å; I800-Q804 HydrophobicContact CG2-CG 4.4Å; I800-Q804 WeakPolarHBondContact O-CG 3.28Å; I800-Q804 PolarHBondContact O-N 3.16Å
801	Q	53.5	Low	61.5	Low	111 Å²	111	114.6 Å²	114.6	52%	0.519	52%	0.524	S	S	.	.	H	α-helix	trans	-60	-35.7	177.1	-75.5	178.6	-27.9	0	0	113.1	T797 R799 E803 M805	T797-Q801 WeakPolarHBondContact O-CG 3.31Å; T797-Q801 PolarHBondContact O-N 3.03Å; R799-Q801 PolarHBondContact O-N 3.29Å; Q801-E803 VanDerWaalsContact C-N 3.35Å; Q801-M805 VanDerWaalsContact O-CB 3.25Å; Q801-M805 WeakPolarHBondContact O-CB 3.4Å; Q801-M805 PolarHBondContact O-N 3.03Å
802	K	58.6	Low	60.3	Low	139 Å²	139	113.1 Å²	113.1	60%	0.604	53%	0.525	S	S	*	.	H	α-helix	trans	-76.8	-20.6	175	-76.8	-179.4	176.3	-177.1	0	113.9	L798 R799 I800 K806	L798-K802 WeakPolarHBondContact O-CG 3.47Å; L798-K802 PolarHBondContact O-N 3.33Å; R799-K802 PolarHBondContact O-N 3.17Å; R799-K802 VanDerWaalsContact O-N 3.13Å; I800-K802 VanDerWaalsContact C-N 3.28Å; I800-K802 PolarHBondContact O-N 3.44Å; K802-K806 WeakPolarHBondContact O-CG 3.39Å
803	E	65.3	Low	59.4	Low	98 Å²	98	111.6 Å²	111.6	46%	0.458	52%	0.518	S	S	.	.	H	α-helix	trans	-77.6	-50.7	173.9	-143.6	130.4	-111.8	0	0	108.7	R799 I800 Q801 M805 K806 E807	R799-E803 IonicContact CZ-OE2 2.92Å; R799-E803 IonicContact NH1-OE1 3.65Å; R799-E803 PolarHBondContact NH1-OE1 2.89Å; R799-E803 IonicContact NH1-OE2 3.3Å; R799-E803 PolarHBondContact NH1-OE2 3.02Å; R799-E803 IonicContact NH2-OE2 2.74Å; R799-E803 PolarHBondContact O-N 2.86Å; I800-E803 WeakPolarHBondContact O-CA 3.41Å; I800-E803 WeakPolarHBondContact O-CB 3.39Å; I800-E803 PolarHBondContact O-N 3.45Å; Q801-E803 VanDerWaalsContact C-N 3.35Å; E803-M805 PolarHBondContact O-N 3.11Å; E803-K806 WeakPolarHBondContact O-CB 3.49Å; E803-K806 PolarHBondContact O-N 3.39Å; E803-E807 PolarHBondContact O-N 3.2Å; E803-E807 VanDerWaalsContact O-N 3.14Å
804	Q	59.9	Low	57.9	Low	100 Å²	100	110.9 Å²	110.9	47%	0.467	52%	0.515	S	S	.	.	H	α-helix	trans	-55.8	-49.6	173.2	-69.3	176.7	-47.6	0	0	112.4	I800 K806 E807 D808	I800-Q804 HydrophobicContact CG2-CG 4.4Å; I800-Q804 WeakPolarHBondContact O-CG 3.28Å; I800-Q804 PolarHBondContact O-N 3.16Å; Q804-K806 PolarHBondContact O-N 2.94Å; Q804-E807 CarbonylContact O-C 3.57Å; Q804-E807 WeakPolarHBondContact O-CA 3.36Å; Q804-E807 PolarHBondContact O-N 3.28Å; Q804-D808 PolarHBondContact O-N 3.34Å
805	M	60.8	Low	57.2	Low	122 Å²	122	109.4 Å²	109.4	60%	0.601	51%	0.507	S	S	*	.	H	α-helix	trans	-58.2	-23.1	177.1	-170.8	-161.5	77.2	0	0	113.6	Q801 E803 K809	Q801-M805 VanDerWaalsContact O-CB 3.25Å; Q801-M805 WeakPolarHBondContact O-CB 3.4Å; Q801-M805 PolarHBondContact O-N 3.03Å; E803-M805 PolarHBondContact O-N 3.11Å; M805-K809 WeakPolarHBondContact O-CB 3.07Å; M805-K809 PolarHBondContact O-N 3.44Å
806	K	61.9	Low	56	Low	148 Å²	148	111.6 Å²	111.6	64%	0.643	52%	0.517	S	S	*	.	H	α-helix	trans	-85.1	-29.7	172.8	-79.1	-179.4	172.8	-175.8	0	113.1	K802 E803 Q804 K810	K802-K806 WeakPolarHBondContact O-CG 3.39Å; E803-K806 WeakPolarHBondContact O-CB 3.49Å; E803-K806 PolarHBondContact O-N 3.39Å; Q804-K806 PolarHBondContact O-N 2.94Å; K806-K810 WeakPolarHBondContact O-CG 3.02Å; K806-K810 PolarHBondContact O-N 3.41Å
807	E	58.6	Low	54.6	Low	128 Å²	128	117.1 Å²	117.1	60%	0.598	53%	0.534	S	S	*	.	H	α-helix	trans	-71.2	-45.3	172.5	-65.6	-176.1	140.6	0	0	110	E803 Q804 K809 K810 W811	E803-E807 PolarHBondContact O-N 3.2Å; E803-E807 VanDerWaalsContact O-N 3.14Å; Q804-E807 CarbonylContact O-C 3.57Å; Q804-E807 WeakPolarHBondContact O-CA 3.36Å; Q804-E807 PolarHBondContact O-N 3.28Å; E807-K809 PolarHBondContact O-N 3.42Å; E807-K810 WeakPolarHBondContact O-CB 3.35Å; E807-K810 PolarHBondContact O-N 3.03Å; E807-W811 WeakPolarHBondContact O-CB 3.33Å; E807-W811 PolarHBondContact O-N 2.92Å
808	D	49.8	Very low	53.5	Low	99 Å²	99	121 Å²	121	53%	0.529	55%	0.552	S	S	.	*	H	α-helix	trans	-57.7	-45	173.2	-62.7	-27.7	0	0	0	111.7	Q804 K810 W811 L812	Q804-D808 PolarHBondContact O-N 3.34Å; D808-K810 PolarHBondContact O-N 2.93Å; D808-W811 PolarHBondContact O-N 3.26Å; D808-L812 WeakPolarHBondContact O-CG 3.44Å; D808-L812 PolarHBondContact O-N 3.1Å
809	K	48.6	Very low	52.2	Low	125 Å²	125	123.3 Å²	123.3	54%	0.543	56%	0.564	S	S	.	*	H	α-helix	trans	-63.7	-38.5	177.4	-169.3	174.2	-165	-68.6	0	112.6	M805 E807 E813	M805-K809 WeakPolarHBondContact O-CB 3.07Å; M805-K809 PolarHBondContact O-N 3.44Å; E807-K809 PolarHBondContact O-N 3.42Å; K809-E813 IonicContact NZ-OE1 2.7Å; K809-E813 PolarHBondContact NZ-OE1 2.96Å; K809-E813 VanDerWaalsContact O-CG 3.32Å; K809-E813 WeakPolarHBondContact O-CG 3.49Å; K809-E813 PolarHBondContact O-N 3.42Å
810	K	52.1	Low	50.2	Low	146 Å²	146	124.2 Å²	124.2	64%	0.635	58%	0.578	S	S	*	*	H	α-helix	trans	-67.3	-38.4	173.8	-82.9	-176.6	169.1	-168.7	0	112.3	K806 E807 D808 L812 E813 E814	K806-K810 WeakPolarHBondContact O-CG 3.02Å; K806-K810 PolarHBondContact O-N 3.41Å; E807-K810 WeakPolarHBondContact O-CB 3.35Å; E807-K810 PolarHBondContact O-N 3.03Å; D808-K810 PolarHBondContact O-N 2.93Å; K810-L812 VanDerWaalsContact C-N 3.34Å; K810-E813 PolarHBondContact O-N 3.44Å; K810-E814 WeakPolarHBondContact O-CB 3.32Å; K810-E814 PolarHBondContact O-N 3.46Å
811	W	53.7	Low	48.3	Very low	149 Å²	149	126.5 Å²	126.5	56%	0.564	60%	0.597	S	S	*	*	H	α-helix	trans	-64.2	-41.9	178.3	-175.8	79.6	0	0	0	110.8	E807 D808 E814 E815	E807-W811 WeakPolarHBondContact O-CB 3.33Å; E807-W811 PolarHBondContact O-N 2.92Å; D808-W811 PolarHBondContact O-N 3.26Å; W811-E814 PolarHBondContact O-N 2.89Å; W811-E815 VanDerWaalsContact CH2-CD 3.46Å; W811-E815 WeakPolarHBondContact CH2-OE1 3.4Å; W811-E815 WeakPolarHBondContact CH2-OE2 3.36Å; W811-E815 WeakPolarHBondContact CZ2-OE1 2.92Å; W811-E815 WeakPolarHBondContact CZ3-OE2 3.47Å; W811-E815 WeakPolarHBondContact O-CB 3.46Å; W811-E815 PolarHBondContact O-N 3.03Å
812	L	38.9	Very low	47.4	Very low	97 Å²	97	129.4 Å²	129.4	51%	0.508	61%	0.613	S	S	.	*	H	α-helix	trans	-62.8	-43.9	170.9	-69.2	167.2	0	0	0	112.8	D808 K810 E814 E815 E816	D808-L812 WeakPolarHBondContact O-CG 3.44Å; D808-L812 PolarHBondContact O-N 3.1Å; K810-L812 VanDerWaalsContact C-N 3.34Å; L812-E814 PolarHBondContact O-N 3.35Å; L812-E815 PolarHBondContact O-N 3.32Å; L812-E816 VanDerWaalsContact O-CB 3.29Å; L812-E816 WeakPolarHBondContact O-CB 3.45Å; L812-E816 PolarHBondContact O-N 2.94Å
813	E	44.9	Very low	45.9	Very low	98 Å²	98	125.9 Å²	125.9	46%	0.458	62%	0.616	S	S	.	*	H	α-helix	trans	-64.5	-23	175.7	-75.2	169.6	-175.5	0	0	113.4	K809 K810	K809-E813 IonicContact NZ-OE1 2.7Å; K809-E813 PolarHBondContact NZ-OE1 2.96Å; K809-E813 VanDerWaalsContact O-CG 3.32Å; K809-E813 WeakPolarHBondContact O-CG 3.49Å; K809-E813 PolarHBondContact O-N 3.42Å; K810-E813 PolarHBondContact O-N 3.44Å
814	E	43.1	Very low	44.2	Very low	121 Å²	121	129.2 Å²	129.2	57%	0.565	63%	0.632	S	S	*	*	H	α-helix	trans	-87	-36.2	174	-159.4	79.1	-143	0	0	111.4	K810 W811 L812 R817 L818	K810-E814 WeakPolarHBondContact O-CB 3.32Å; K810-E814 PolarHBondContact O-N 3.46Å; W811-E814 PolarHBondContact O-N 2.89Å; L812-E814 PolarHBondContact O-N 3.35Å; E814-R817 WeakPolarHBondContact O-CB 3.13Å; E814-R817 PolarHBondContact O-N 2.91Å; E814-L818 WeakPolarHBondContact O-CG 3.46Å
815	E	44.2	Very low	42.6	Very low	86 Å²	86	130.6 Å²	130.6	40%	0.402	64%	0.642	S	S	.	*	H	α-helix	trans	-74.3	-40.7	178.8	-167.4	171.5	-118.6	0	0	112.5	W811 L812 R817 L818	W811-E815 VanDerWaalsContact CH2-CD 3.46Å; W811-E815 WeakPolarHBondContact CH2-OE1 3.4Å; W811-E815 WeakPolarHBondContact CH2-OE2 3.36Å; W811-E815 WeakPolarHBondContact CZ2-OE1 2.92Å; W811-E815 WeakPolarHBondContact CZ3-OE2 3.47Å; W811-E815 WeakPolarHBondContact O-CB 3.46Å; W811-E815 PolarHBondContact O-N 3.03Å; L812-E815 PolarHBondContact O-N 3.32Å; E815-R817 PolarHBondContact O-N 3.11Å; E815-R817 VanDerWaalsContact O-N 3.14Å; E815-L818 PolarHBondContact O-N 2.92Å
816	E	40.4	Very low	41	Very low	157 Å²	157	130.3 Å²	130.3	73%	0.734	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-56	-29.6	171.1	-174.9	173.9	-142.6	0	0	111.6	L812 L818	L812-E816 VanDerWaalsContact O-CB 3.29Å; L812-E816 WeakPolarHBondContact O-CB 3.45Å; L812-E816 PolarHBondContact O-N 2.94Å; E816-L818 VanDerWaalsContact C-N 3.35Å
817	R	38.8	Very low	39.3	Very low	198 Å²	198	131.8 Å²	131.8	75%	0.747	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-81.8	-7.5	-179.9	-157	177.9	-176.2	-173.4	2	114.5	E814 E815	E814-R817 WeakPolarHBondContact O-CB 3.13Å; E814-R817 PolarHBondContact O-N 2.91Å; E815-R817 PolarHBondContact O-N 3.11Å; E815-R817 VanDerWaalsContact O-N 3.14Å
818	L	41.8	Very low	38.1	Very low	139 Å²	139	130.8 Å²	130.8	73%	0.728	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-100.1	-0.7	-179.9	-71.4	168.4	0	0	0	113.5	E814 E815 E816	E814-L818 WeakPolarHBondContact O-CG 3.46Å; E815-L818 PolarHBondContact O-N 2.92Å; E816-L818 VanDerWaalsContact C-N 3.35Å
819	L	33.5	Very low	36.9	Very low	140 Å²	140	133.8 Å²	133.8	73%	0.733	67%	0.669	S	S	*	*	S	Bend	trans	-104.1	7.8	-164	-73.4	171	0	0	0	116.7
820	D	34.7	Very low	35.7	Very low	133 Å²	133	131.9 Å²	131.9	71%	0.711	68%	0.677	S	S	*	*			trans	-139.2	117.1	175.1	-171.6	-4.3	0	0	0	112.8	M822	D820-M822 PolarHBondContact OD1-N 2.79Å
821	P	32.2	Very low	34.3	Very low	122 Å²	122	133.6 Å²	133.6	79%	0.792	69%	0.687	S	S	*	*			trans	-132.6	118.9	138.8	33.2	-19.8	0	0	0	113.7
822	M	33.4	Very low	33.3	Very low	172 Å²	172	131 Å²	131	85%	0.847	69%	0.689	S	S	*	*			trans	-36.3	147.8	167.2	-58.7	166.8	54.1	0	0	117.8	D820	D820-M822 PolarHBondContact OD1-N 2.79Å
823	G	28	Very low	32.6	Very low	65 Å²	65	131.8 Å²	131.8	67%	0.67	70%	0.698	S	S	*	*			trans	161.5	121.4	156.6	0	0	0	0	0	111.8
824	Q	29.7	Very low	31.6	Very low	168 Å²	168	135.1 Å²	135.1	79%	0.785	71%	0.714	S	S	*	*				63.7	129.3	70.9	-70.6	-155.4	-99.1	0	0	112.3
825	D	26.3	Very low	30.7	Very low	130 Å²	130	136.1 Å²	136.1	70%	0.695	72%	0.723	S	S	*	*			cis	-161.1	179.4	13.1	-86	-25.4	0	0	0	108
826	D	25.9	Very low	29.8	Very low	115 Å²	115	140.5 Å²	140.5	62%	0.615	74%	0.744	S	S	*	*			cis	-174.2	167.8	-34.4	-167.7	1.9	0	0	0	107.7
827	F	25.8	Very low	29	Very low	180 Å²	180	137.6 Å²	137.6	79%	0.789	74%	0.74	S	S	*	*			trans	75.7	155.8	166.7	-62.4	-66.4	0	0	0	122.2
828	P	34.4	Very low	28.4	Very low	107 Å²	107	136.9 Å²	136.9	70%	0.695	75%	0.745	S	S	*	*			trans	-136.3	-157.9	-153.9	40.9	-18.7	0	0	0	114.7
829	I	24.4	Very low	27.6	Very low	161 Å²	161	137.9 Å²	137.9	83%	0.826	75%	0.752	S	S	*	*			trans	158.6	137.2	132.7	-82	156.4	0	0	0	114.8
830	A	23.1	Very low	27.3	Very low	86 Å²	86	135.3 Å²	135.3	71%	0.711	75%	0.751	S	S	*	*			trans	58.8	138.3	161	0	0	0	0	0	120.5
831	E	22.4	Very low	27.4	Very low	181 Å²	181	135.1 Å²	135.1	85%	0.846	76%	0.757	S	S	*	*			cis	73.8	149.5	35.8	-74.6	-165.6	-162.1	0	0	116.5
832	P	34.3	Very low	27	Very low	94 Å²	94	134.8 Å²	134.8	61%	0.61	75%	0.754	S	S	*	*			cis	-138.4	-143	-35	38.5	-18.2	0	0	0	111.3
833	T	22.5	Very low	26.6	Very low	115 Å²	115	135.4 Å²	135.4	71%	0.706	76%	0.755	S	S	*	*			trans	68.9	151.9	163	55.3	0	0	0	0	119
834	E	24	Very low	26.7	Very low	168 Å²	168	142.1 Å²	142.1	79%	0.785	77%	0.766	S	S	*	*			cis	-166.8	-169.1	-34.2	-123.7	162.1	-166.4	0	0	108.7
835	D	25.1	Very low	26.5	Very low	142 Å²	142	139.6 Å²	139.6	76%	0.759	76%	0.764	S	S	*	*			trans	65.5	124.7	177.5	-57.7	-23.5	0	0	0	116.3
836	E	24.3	Very low	26.6	Very low	178 Å²	178	139.2 Å²	139.2	83%	0.832	77%	0.769	S	S	*	*			cis	65.5	139.3	47.4	-62.2	-154.5	174	0	0	115.2
837	S	25	Very low	26.7	Very low	95 Å²	95	145.4 Å²	145.4	66%	0.664	78%	0.783	S	S	*	*			cis	-160.8	149.8	-26.3	58.7	0	0	0	0	108.5
838	E	25.5	Very low	26.6	Very low	183 Å²	183	144 Å²	144	86%	0.855	78%	0.783	S	S	*	*			trans	171.2	126.9	149	-103.9	-178.9	-171	0	0	111.1
839	N	25.3	Very low	26.3	Very low	161 Å²	161	149.3 Å²	149.3	86%	0.861	79%	0.789	S	S	*	*			trans	-174.5	108.4	139.7	-107.1	-71.8	0	0	0	110.5
840	A	26.9	Very low	26.3	Very low	86 Å²	86	146.6 Å²	146.6	71%	0.711	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-76.6	152.2	162.5	0	0	0	0	0	109.8	P842	A840-P842 VanDerWaalsContact O-CD 3.32Å; A840-P842 WeakPolarHBondContact O-CD 3.44Å
841	P	36	Very low	26.2	Very low	129 Å²	129	150.3 Å²	150.3	84%	0.838	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-80.2	128.3	-166	30	-35.1	0	0	0	114
842	P	25.6	Very low	26.4	Very low	114 Å²	114	144.6 Å²	144.6	74%	0.74	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-100.9	165.1	161.7	10.4	11.6	0	0	0	112.5	A840	A840-P842 VanDerWaalsContact O-CD 3.32Å; A840-P842 WeakPolarHBondContact O-CD 3.44Å
843	E	24.7	Very low	26.1	Very low	186 Å²	186	144.3 Å²	144.3	87%	0.869	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-57.3	158.5	-169.3	-55.9	173.9	113.8	0	0	116.6	P845	E843-P845 VanDerWaalsContact O-CD 3.29Å; E843-P845 WeakPolarHBondContact O-CD 3.34Å
844	K	29.8	Very low	26.6	Very low	206 Å²	206	144.4 Å²	144.4	90%	0.896	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-59.9	121.7	-179.7	-69.1	168.8	179.5	162.9	0	112.8
845	P	25	Very low	27.4	Very low	115 Å²	115	139 Å²	139	75%	0.747	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-63.7	153.9	157	-17.8	33	0	0	0	110.8	E843	E843-P845 VanDerWaalsContact O-CD 3.29Å; E843-P845 WeakPolarHBondContact O-CD 3.34Å
846	P	28	Very low	28.2	Very low	121 Å²	121	134.7 Å²	134.7	79%	0.786	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-71.8	151.7	-177	29.1	-34.7	0	0	0	112.6	L848	P846-L848 PolarHBondContact O-N 2.65Å; P846-L848 VanDerWaalsContact O-N 3.1Å
847	R	28.9	Very low	29.4	Very low	246 Å²	246	134 Å²	134	93%	0.928	75%	0.745	S	S	*	*			trans	-60.4	112.8	171.8	-75.8	175.5	168	159.5	-6.5	110.5	R849	R847-R849 VanDerWaalsContact C-N 3.33Å; R847-R849 PolarHBondContact O-N 3.43Å
848	L	24.6	Very low	31.2	Very low	149 Å²	149	130.4 Å²	130.4	78%	0.78	72%	0.718	S	S	*	*			trans	-64.1	95.3	160.2	-81.5	164.2	0	0	0	109.2	P846	P846-L848 PolarHBondContact O-N 2.65Å; P846-L848 VanDerWaalsContact O-N 3.1Å
849	R	26.5	Very low	33	Very low	220 Å²	220	124 Å²	124	83%	0.83	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-56.4	146.8	147.2	-71.6	176.7	170.6	166.8	-3.1	107.1	R847 Q851	R847-R849 VanDerWaalsContact C-N 3.33Å; R847-R849 PolarHBondContact O-N 3.43Å; R849-Q851 PolarHBondContact O-N 3.07Å
850	A	25.1	Very low	35.2	Very low	104 Å²	104	119 Å²	119	86%	0.86	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-50.4	117.2	166.2	0	0	0	0	0	108.6	A852	A850-A852 PolarHBondContact O-N 3.4Å
851	Q	21.3	Very low	36.9	Very low	163 Å²	163	120.3 Å²	120.3	76%	0.762	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-64	134.3	174.4	-73.5	176	-35.2	0	0	107.3	R849 A853	R849-Q851 PolarHBondContact O-N 3.07Å; Q851-A853 PolarHBondContact O-N 3.28Å
852	A	26.9	Very low	38.5	Very low	61 Å²	61	119.7 Å²	119.7	50%	0.504	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-58.3	136.6	155.1	0	0	0	0	0	106.6	A850	A850-A852 PolarHBondContact O-N 3.4Å
853	A	27.6	Very low	41.2	Very low	89 Å²	89	114.9 Å²	114.9	74%	0.736	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-49.9	135.7	171.5	0	0	0	0	0	108.3	Q851 T855	Q851-A853 PolarHBondContact O-N 3.28Å; A853-T855 PolarHBondContact O-N 2.76Å
854	P	32.7	Very low	44	Very low	117 Å²	117	111.8 Å²	111.8	76%	0.76	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-52.3	118.2	-167.7	-29.5	35.2	0	0	0	111.5	A856	P854-A856 PolarHBondContact O-N 2.7Å
855	T	40.7	Very low	46.7	Very low	54 Å²	54	102 Å²	102	33%	0.331	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-53	130.9	157.7	-33.9	0	0	0	0	105.5	A853 R860 D980	A853-T855 PolarHBondContact O-N 2.76Å; T855-R860 VanDerWaalsContact CG2-NH2 3.26Å; T855-D980 HydrophobicContact CG2-CB 4.09Å
856	A	41.9	Very low	49.7	Very low	52 Å²	52	100.9 Å²	100.9	43%	0.43	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-48.6	146.9	-173.7	0	0	0	0	0	111.1	P854 I858 V984	P854-A856 PolarHBondContact O-N 2.7Å; A856-I858 HydrophobicContact CB-CD1 4.17Å; A856-I858 HydrophobicContact CB-CG1 4.18Å; A856-I858 VanDerWaalsContact O-CG1 3.29Å; A856-I858 WeakPolarHBondContact O-CG1 3.38Å; A856-I858 PolarHBondContact O-N 3.27Å; A856-V984 HydrophobicContact CB-CG2 4.06Å
857	E	49.3	Very low	52.5	Low	164 Å²	164	100.2 Å²	100.2	77%	0.766	53%	0.53	S	S	*	.			trans	-68	76.6	-175.7	-67.4	179.6	161.8	0	0	110.7	P991 A992	E857-P991 CarbonylContact O-C 3.48Å; E857-P991 WeakPolarHBondContact O-CA 3.36Å; E857-A992 HydrophobicContact CB-CB 4.26Å; E857-A992 PolarHBondContact O-N 2.9Å
858	I	62.8	Low	55.4	Low	19 Å²	19	92 Å²	92	10%	0.097	50%	0.499	C	S	.	.	B	Isolated β-bridge	trans	-100.5	129.7	-177	-64.6	162.3	0	0	0	107.6	A856 R860 D980 V984 A989 K990	A856-I858 HydrophobicContact CB-CD1 4.17Å; A856-I858 HydrophobicContact CB-CG1 4.18Å; A856-I858 VanDerWaalsContact O-CG1 3.29Å; A856-I858 WeakPolarHBondContact O-CG1 3.38Å; A856-I858 PolarHBondContact O-N 3.27Å; I858-R860 WeakPolarHBondContact O-CG 3.49Å; I858-R860 PolarHBondContact O-N 2.89Å; I858-R860 VanDerWaalsContact O-N 3.1Å; I858-D980 HydrophobicContact CD1-CB 3.94Å; I858-V984 HydrophobicContact CD1-CG2 4.05Å; I858-A989 HydrophobicContact CD1-CB 4.42Å; I858-A989 HydrophobicContact CG1-CB 4.12Å; I858-K990 VanDerWaalsContact CA-O 3.31Å; I858-K990 WeakPolarHBondContact CA-O 3.33Å
859	D	64	Low	58.5	Low	47 Å²	47	84.9 Å²	84.9	25%	0.251	46%	0.462	S	S	.	.			trans	-56.1	113.6	171.6	168.3	31.5	0	0	0	110.9	S861 K990	D859-S861 WeakPolarHBondContact OD1-CB 3.46Å; D859-S861 PolarHBondContact OD1-N 2.71Å; D859-S861 PolarHBondContact OD1-OG 2.83Å; D859-K990 HydrophobicContact CB-CB 4.04Å; D859-K990 HydrophobicContact CB-CD 4.27Å; D859-K990 PolarHBondContact N-O 3.14Å; D859-K990 VanDerWaalsContact N-O 3.11Å; D859-K990 WeakPolarHBondContact OD2-CD 3.38Å; D859-K990 IonicContact OD2-NZ 2.71Å; D859-K990 PolarHBondContact OD2-NZ 3.39Å
860	R	71.3	Confident	61.4	Low	56 Å²	56	77 Å²	77	21%	0.211	44%	0.436	C	S	.	.			trans	-93.2	-1.3	179.3	-57.9	-52.3	-179.9	150.4	4	114.1	T855 I858 D862 D863 Y866 D980	T855-R860 VanDerWaalsContact CG2-NH2 3.26Å; I858-R860 WeakPolarHBondContact O-CG 3.49Å; I858-R860 PolarHBondContact O-N 2.89Å; I858-R860 VanDerWaalsContact O-N 3.1Å; R860-D862 PolarHBondContact O-N 3.13Å; R860-D863 IonicContact CZ-OD2 3.47Å; R860-D863 IonicContact NH1-OD2 3.82Å; R860-D863 PolarHBondContact NH1-OD2 3.46Å; R860-D863 PolarHBondContact O-N 3.01Å; R860-D863 VanDerWaalsContact O-N 3.15Å; R860-Y866 HydrophobicContact CB-CD1 4.39Å; R860-Y866 HydrophobicContact CG-CD2 4.36Å; R860-Y866 HydrophobicContact CG-CG 4.45Å; R860-D980 IonicContact CZ-OD1 3.18Å; R860-D980 IonicContact CZ-OD2 3.82Å; R860-D980 VanDerWaalsContact NH1-CG 3.26Å; R860-D980 IonicContact NH1-OD1 2.64Å; R860-D980 PolarHBondContact NH1-OD1 2.94Å; R860-D980 IonicContact NH1-OD2 3.51Å; R860-D980 PolarHBondContact NH1-OD2 2.78Å; R860-D980 IonicContact NH2-OD1 2.72Å; R860-D980 IonicContact NH2-OD2 3.74Å; R860-D980 PolarHBondContact NH2-OD2 2.88Å
861	S	61.6	Low	64.4	Low	115 Å²	115	74.4 Å²	74.4	80%	0.804	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.3	-169.4	-47.2	0	0	0	0	114	D859	D859-S861 WeakPolarHBondContact OD1-CB 3.46Å; D859-S861 PolarHBondContact OD1-N 2.71Å; D859-S861 PolarHBondContact OD1-OG 2.83Å
862	D	69.8	Low	67.7	Low	116 Å²	116	66.7 Å²	66.7	62%	0.62	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.2	22.4	177	-167.7	28.8	0	0	0	111.8	R860 K864	R860-D862 PolarHBondContact O-N 3.13Å; D862-K864 PolarHBondContact O-N 3.38Å
863	D	83.1	Confident	70.7	Confident	13 Å²	13	65.9 Å²	65.9	7%	0.07	36%	0.36	C	S	.	.			trans	-86.3	92.2	-179.3	-175.1	3.1	0	0	0	112	R860 V865 Y866 Q867 R983	R860-D863 IonicContact CZ-OD2 3.47Å; R860-D863 IonicContact NH1-OD2 3.82Å; R860-D863 PolarHBondContact NH1-OD2 3.46Å; R860-D863 PolarHBondContact O-N 3.01Å; R860-D863 VanDerWaalsContact O-N 3.15Å; D863-V865 VanDerWaalsContact C-N 3.27Å; D863-V865 PolarHBondContact O-N 3.04Å; D863-V865 PolarHBondContact OD1-N 3.43Å; D863-Y866 VanDerWaalsContact CG-CB 3.48Å; D863-Y866 WeakPolarHBondContact O-CB 3.42Å; D863-Y866 PolarHBondContact O-N 3.09Å; D863-Y866 PolarHBondContact OD1-N 3.17Å; D863-Y866 VanDerWaalsContact OD2-CB 3.29Å; D863-Y866 WeakPolarHBondContact OD2-CB 3.13Å; D863-Q867 PolarHBondContact O-N 3.49Å; D863-R983 VanDerWaalsContact CG-NH1 3.26Å; D863-R983 IonicContact OD1-CZ 3.84Å; D863-R983 IonicContact OD1-NH1 2.78Å; D863-R983 PolarHBondContact OD1-NH1 2.94Å; D863-R983 IonicContact OD1-NH2 3.76Å; D863-R983 PolarHBondContact OD1-NH2 2.89Å; D863-R983 IonicContact OD2-CZ 2.75Å; D863-R983 IonicContact OD2-NH1 2.74Å; D863-R983 PolarHBondContact OD2-NH1 2.86Å; D863-R983 IonicContact OD2-NH2 3.07Å
864	K	83.6	Confident	73.6	Confident	121 Å²	121	67.7 Å²	67.7	53%	0.526	35%	0.351	S	S	.	.	H	α-helix	trans	-57.9	-35	177.1	-64.9	177.3	-176	171.5	0	113.6	D862 Q867 Y868	D862-K864 PolarHBondContact O-N 3.38Å; K864-Q867 PolarHBondContact O-N 3.49Å; K864-Y868 HydrophobicContact CB-CD2 4.4Å; K864-Y868 HydrophobicContact CB-CE2 4.22Å; K864-Y868 WeakPolarHBondContact O-CD2 3.28Å; K864-Y868 PolarHBondContact O-N 3.33Å
865	V	86.7	Confident	76.2	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.006	33%	0.326	C	S	.	.	H	α-helix	trans	-68.1	-46.7	-179.7	-177.6	0	0	0	0	109.4	D863 Q867 Y868 V869 L905 S908 V909 V912 L976 V979	D863-V865 VanDerWaalsContact C-N 3.27Å; D863-V865 PolarHBondContact O-N 3.04Å; D863-V865 PolarHBondContact OD1-N 3.43Å; V865-Q867 VanDerWaalsContact C-N 3.33Å; V865-Q867 PolarHBondContact O-N 2.92Å; V865-Y868 PolarHBondContact O-N 3Å; V865-V869 WeakPolarHBondContact O-CG2 3.32Å; V865-V869 PolarHBondContact O-N 2.9Å; V865-L905 HydrophobicContact CG1-CD1 4.11Å; V865-S908 WeakPolarHBondContact CG2-O 3.26Å; V865-V909 HydrophobicContact CG1-CG2 3.81Å; V865-V909 HydrophobicContact CG2-CG2 4.25Å; V865-V912 HydrophobicContact CG2-CG2 4.19Å; V865-L976 HydrophobicContact CG1-CD1 4.12Å; V865-V979 HydrophobicContact CG1-CG1 4.36Å
866	Y	86.5	Confident	78.5	Confident	90 Å²	90	61.8 Å²	61.8	35%	0.353	31%	0.313	S	S	.	.	H	α-helix	trans	-55.8	-47.2	171.8	177.3	-89.1	0	0	0	111.5	R860 D863 Y868 V869 M870 L976	R860-Y866 HydrophobicContact CB-CD1 4.39Å; R860-Y866 HydrophobicContact CG-CD2 4.36Å; R860-Y866 HydrophobicContact CG-CG 4.45Å; D863-Y866 VanDerWaalsContact CG-CB 3.48Å; D863-Y866 WeakPolarHBondContact O-CB 3.42Å; D863-Y866 PolarHBondContact O-N 3.09Å; D863-Y866 PolarHBondContact OD1-N 3.17Å; D863-Y866 VanDerWaalsContact OD2-CB 3.29Å; D863-Y866 WeakPolarHBondContact OD2-CB 3.13Å; Y866-Y868 PolarHBondContact O-N 3.4Å; Y866-V869 PolarHBondContact O-N 3.45Å; Y866-M870 HydrophobicContact CD1-CG 4.12Å; Y866-M870 HydrophobicContact CE1-CG 3.72Å; Y866-M870 HydrophobicContact CE2-CE 4.31Å; Y866-M870 HydrophobicContact CE2-CG 4.34Å; Y866-M870 WeakPolarHBondContact O-CG 3.44Å; Y866-M870 PolarHBondContact O-N 3Å; Y866-L976 HydrophobicContact CD2-CD2 3.82Å
867	Q	87.3	Confident	80.6	Confident	107 Å²	107	62.8 Å²	62.8	50%	0.5	31%	0.313	S	S	.	.	H	α-helix	trans	-57.9	-50.5	179.2	-174.1	176.7	4.4	0	0	112.3	D863 K864 V865 V869 M870 D871	D863-Q867 PolarHBondContact O-N 3.49Å; K864-Q867 PolarHBondContact O-N 3.49Å; V865-Q867 VanDerWaalsContact C-N 3.33Å; V865-Q867 PolarHBondContact O-N 2.92Å; Q867-V869 PolarHBondContact O-N 2.94Å; Q867-M870 PolarHBondContact O-N 3.29Å; Q867-D871 PolarHBondContact O-N 3.3Å
868	Y	90.3	Very high	82.2	Confident	73 Å²	73	59.4 Å²	59.4	29%	0.286	30%	0.298	S	S	.	.	H	α-helix	trans	-70.9	-28.9	-178.4	-68.4	-61.4	0	0	0	113.6	K864 V865 Y866 D871 L872 D904	K864-Y868 HydrophobicContact CB-CD2 4.4Å; K864-Y868 HydrophobicContact CB-CE2 4.22Å; K864-Y868 WeakPolarHBondContact O-CD2 3.28Å; K864-Y868 PolarHBondContact O-N 3.33Å; V865-Y868 PolarHBondContact O-N 3Å; Y866-Y868 PolarHBondContact O-N 3.4Å; Y868-D871 PolarHBondContact O-N 2.69Å; Y868-L872 WeakPolarHBondContact O-CB 3.5Å; Y868-L872 PolarHBondContact O-N 2.98Å; Y868-D904 HydrophobicContact CD1-CB 3.94Å; Y868-D904 HydrophobicContact CE1-CB 3.8Å
869	V	89.9	Confident	83.3	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.4	-45.6	168.2	176	0	0	0	0	110.5	V865 Y866 Q867 D871 L872 V873 L905 S972 L976	V865-V869 WeakPolarHBondContact O-CG2 3.32Å; V865-V869 PolarHBondContact O-N 2.9Å; Y866-V869 PolarHBondContact O-N 3.45Å; Q867-V869 PolarHBondContact O-N 2.94Å; V869-D871 VanDerWaalsContact C-N 3.29Å; V869-D871 PolarHBondContact O-N 3Å; V869-L872 PolarHBondContact O-N 3.08Å; V869-V873 HydrophobicContact CG1-CG2 4.32Å; V869-V873 WeakPolarHBondContact O-CB 3.5Å; V869-V873 VanDerWaalsContact O-CG2 3.29Å; V869-V873 WeakPolarHBondContact O-CG2 3.39Å; V869-V873 PolarHBondContact O-N 3.43Å; V869-L905 HydrophobicContact CG2-CD1 3.41Å; V869-L905 VanDerWaalsContact CG2-CD1 3.41Å; V869-L905 HydrophobicContact CG2-CD2 3.74Å; V869-L905 HydrophobicContact CG2-CG 4.22Å; V869-S972 WeakPolarHBondContact CG2-O 3.49Å; V869-L976 HydrophobicContact CG2-CB 4.08Å
870	M	88.1	Confident	84.3	Confident	56 Å²	56	62.4 Å²	62.4	28%	0.276	31%	0.308	S	S	.	.	H	α-helix	trans	-61.3	-37.8	176.8	-68.3	-55.9	106.7	0	0	111.9	Y866 Q867 K874	Y866-M870 HydrophobicContact CD1-CG 4.12Å; Y866-M870 HydrophobicContact CE1-CG 3.72Å; Y866-M870 HydrophobicContact CE2-CE 4.31Å; Y866-M870 HydrophobicContact CE2-CG 4.34Å; Y866-M870 WeakPolarHBondContact O-CG 3.44Å; Y866-M870 PolarHBondContact O-N 3Å; Q867-M870 PolarHBondContact O-N 3.29Å; M870-K874 WeakPolarHBondContact O-CG 3.41Å; M870-K874 PolarHBondContact O-N 2.7Å
871	D	87.3	Confident	84.9	Confident	49 Å²	49	64.2 Å²	64.2	26%	0.262	32%	0.321	S	S	.	.	H	α-helix	trans	-71.9	-38.1	177.1	-71.7	-24.5	0	0	0	113	Q867 Y868 V869 K874 V875	Q867-D871 PolarHBondContact O-N 3.3Å; Y868-D871 PolarHBondContact O-N 2.69Å; V869-D871 VanDerWaalsContact C-N 3.29Å; V869-D871 PolarHBondContact O-N 3Å; D871-K874 PolarHBondContact O-N 2.84Å; D871-K874 WeakPolarHBondContact OD1-CD 3.39Å; D871-K874 WeakPolarHBondContact OD1-CE 3.19Å; D871-K874 IonicContact OD1-NZ 2.7Å; D871-K874 PolarHBondContact OD1-NZ 2.85Å; D871-V875 VanDerWaalsContact O-CG2 3.24Å; D871-V875 WeakPolarHBondContact O-CG2 3.42Å; D871-V875 PolarHBondContact O-N 3.46Å; D871-V875 VanDerWaalsContact O-N 3.07Å
872	L	89.6	Confident	85.8	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.3	-44.8	170.9	178	58.7	0	0	0	111.6	Y868 V869 V875 V876 V898 A901 L902 L905	Y868-L872 WeakPolarHBondContact O-CB 3.5Å; Y868-L872 PolarHBondContact O-N 2.98Å; V869-L872 PolarHBondContact O-N 3.08Å; L872-V875 PolarHBondContact O-N 2.88Å; L872-V876 PolarHBondContact O-N 3.32Å; L872-V898 HydrophobicContact CD1-CG1 3.76Å; L872-A901 HydrophobicContact CB-CB 4.09Å; L872-A901 HydrophobicContact CD1-CB 3.98Å; L872-L902 HydrophobicContact CD1-CB 4.21Å; L872-L902 HydrophobicContact CD2-CB 4.22Å; L872-L902 HydrophobicContact CD2-CD1 4.03Å; L872-L905 HydrophobicContact CD2-CD2 3.7Å
873	V	90.1	Very high	86.4	Confident	45 Å²	45	56.1 Å²	56.1	27%	0.273	27%	0.269	S	S	.	.	H	α-helix	trans	-62.6	-41.5	175.7	171.3	0	0	0	0	111.3	V869 V875 V876 V877 A969	V869-V873 HydrophobicContact CG1-CG2 4.32Å; V869-V873 WeakPolarHBondContact O-CB 3.5Å; V869-V873 VanDerWaalsContact O-CG2 3.29Å; V869-V873 WeakPolarHBondContact O-CG2 3.39Å; V869-V873 PolarHBondContact O-N 3.43Å; V873-V875 PolarHBondContact O-N 3.16Å; V873-V876 PolarHBondContact O-N 3.2Å; V873-V877 HydrophobicContact CG1-CG2 4.4Å; V873-V877 WeakPolarHBondContact O-CG2 3.33Å; V873-V877 PolarHBondContact O-N 2.8Å; V873-A969 HydrophobicContact CG2-CB 4.32Å
874	K	88.7	Confident	86	Confident	126 Å²	126	61 Å²	61	55%	0.548	30%	0.299	S	S	.	.	H	α-helix	trans	-57.6	-45.6	173.8	-73.5	165.4	-151.6	166.4	0	111.7	M870 D871 V876 V877 Q878	M870-K874 WeakPolarHBondContact O-CG 3.41Å; M870-K874 PolarHBondContact O-N 2.7Å; D871-K874 PolarHBondContact O-N 2.84Å; D871-K874 WeakPolarHBondContact OD1-CD 3.39Å; D871-K874 WeakPolarHBondContact OD1-CE 3.19Å; D871-K874 IonicContact OD1-NZ 2.7Å; D871-K874 PolarHBondContact OD1-NZ 2.85Å; K874-V876 PolarHBondContact O-N 2.85Å; K874-V877 PolarHBondContact O-N 2.78Å; K874-Q878 WeakPolarHBondContact O-CB 3.18Å; K874-Q878 PolarHBondContact O-N 2.9Å
875	V	88.5	Confident	85.5	Confident	37 Å²	37	58.1 Å²	58.1	22%	0.224	30%	0.304	C	S	.	.	H	α-helix	trans	-67.9	-36.3	-178.9	-176.8	0	0	0	0	111.3	D871 L872 V873 Q878 L879 I894 V898 A901	D871-V875 VanDerWaalsContact O-CG2 3.24Å; D871-V875 WeakPolarHBondContact O-CG2 3.42Å; D871-V875 PolarHBondContact O-N 3.46Å; D871-V875 VanDerWaalsContact O-N 3.07Å; L872-V875 PolarHBondContact O-N 2.88Å; V873-V875 PolarHBondContact O-N 3.16Å; V875-Q878 PolarHBondContact O-N 3.39Å; V875-L879 PolarHBondContact O-N 2.86Å; V875-I894 HydrophobicContact CG1-CG2 4.49Å; V875-V898 HydrophobicContact CB-CG2 4.41Å; V875-V898 HydrophobicContact CG1-CB 4.48Å; V875-V898 HydrophobicContact CG1-CG2 3.63Å; V875-A901 HydrophobicContact CG2-CB 4.49Å
876	V	88.6	Confident	85.2	Confident	11 Å²	11	59.5 Å²	59.5	7%	0.067	31%	0.312	C	S	.	.	H	α-helix	trans	-67.2	-39.8	172.8	168.6	0	0	0	0	112.1	L872 V873 K874 Q878 L879 K880 V898 A965 A969	L872-V876 PolarHBondContact O-N 3.32Å; V873-V876 PolarHBondContact O-N 3.2Å; K874-V876 PolarHBondContact O-N 2.85Å; V876-Q878 VanDerWaalsContact C-N 3.34Å; V876-L879 WeakPolarHBondContact O-CB 3.35Å; V876-L879 PolarHBondContact O-N 3.42Å; V876-K880 PolarHBondContact O-N 3.34Å; V876-V898 HydrophobicContact CG2-CG1 4.27Å; V876-V898 HydrophobicContact CG2-CG2 4.26Å; V876-A965 HydrophobicContact CG1-CB 4.03Å; V876-A965 WeakPolarHBondContact CG1-O 3.46Å; V876-A969 HydrophobicContact CB-CB 4.16Å; V876-A969 HydrophobicContact CG1-CB 3.88Å; V876-A969 HydrophobicContact CG2-CB 4.24Å
877	V	85.5	Confident	85	Confident	72 Å²	72	60.5 Å²	60.5	44%	0.436	32%	0.319	S	S	.	.	H	α-helix	trans	-64.8	-39.4	173.9	169.7	0	0	0	0	110.9	V873 K874 K880 N881	V873-V877 HydrophobicContact CG1-CG2 4.4Å; V873-V877 WeakPolarHBondContact O-CG2 3.33Å; V873-V877 PolarHBondContact O-N 2.8Å; K874-V877 PolarHBondContact O-N 2.78Å; V877-K880 WeakPolarHBondContact O-CB 3.36Å; V877-K880 PolarHBondContact O-N 2.85Å; V877-N881 VanDerWaalsContact O-CG 3.22Å; V877-N881 PolarHBondContact O-N 2.82Å; V877-N881 PolarHBondContact O-ND2 2.7Å
878	Q	83.8	Confident	84.7	Confident	94 Å²	94	55.8 Å²	55.8	44%	0.439	30%	0.298	S	S	.	.	H	α-helix	trans	-63.3	-45.1	175	-166.2	62.2	30.6	0	0	111.6	K874 V875 V876 K880 N881 D882	K874-Q878 WeakPolarHBondContact O-CB 3.18Å; K874-Q878 PolarHBondContact O-N 2.9Å; V875-Q878 PolarHBondContact O-N 3.39Å; V876-Q878 VanDerWaalsContact C-N 3.34Å; Q878-K880 VanDerWaalsContact C-N 3.28Å; Q878-K880 PolarHBondContact O-N 3.42Å; Q878-N881 PolarHBondContact O-N 2.79Å; Q878-N881 VanDerWaalsContact O-N 3.13Å; Q878-D882 WeakPolarHBondContact CG-OD2 3.33Å; Q878-D882 PolarHBondContact NE2-OD1 3.12Å; Q878-D882 PolarHBondContact NE2-OD2 2.98Å; Q878-D882 PolarHBondContact O-N 3.01Å
879	L	85.6	Confident	84.2	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-54.4	-44.4	172	176.7	59.3	0	0	0	111.7	V875 V876 N881 I883 I894 M961 L962 A965	V875-L879 PolarHBondContact O-N 2.86Å; V876-L879 WeakPolarHBondContact O-CB 3.35Å; V876-L879 PolarHBondContact O-N 3.42Å; L879-N881 VanDerWaalsContact C-N 3.33Å; L879-N881 PolarHBondContact O-N 2.94Å; L879-I883 VanDerWaalsContact O-CB 3.31Å; L879-I883 WeakPolarHBondContact O-CB 3.18Å; L879-I883 PolarHBondContact O-N 3.38Å; L879-I883 VanDerWaalsContact O-N 3.16Å; L879-I894 HydrophobicContact CB-CG2 3.75Å; L879-I894 HydrophobicContact CD1-CB 4.27Å; L879-I894 HydrophobicContact CD1-CG2 3.85Å; L879-I894 HydrophobicContact CG-CG2 4.26Å; L879-M961 HydrophobicContact CD1-CE 4.43Å; L879-L962 HydrophobicContact CG-CD2 4.46Å; L879-A965 HydrophobicContact CD2-CB 3.91Å
880	K	85.4	Confident	83.8	Confident	128 Å²	128	63.2 Å²	63.2	56%	0.557	34%	0.335	S	S	*	.	H	α-helix	trans	-63.4	-36.5	178.2	-178.9	-179.4	175.6	179.6	0	113.2	V876 V877 Q878 I883 L962	V876-K880 PolarHBondContact O-N 3.34Å; V877-K880 WeakPolarHBondContact O-CB 3.36Å; V877-K880 PolarHBondContact O-N 2.85Å; Q878-K880 VanDerWaalsContact C-N 3.28Å; Q878-K880 PolarHBondContact O-N 3.42Å; K880-I883 WeakPolarHBondContact O-CG2 3.42Å; K880-L962 HydrophobicContact CB-CD2 4.2Å; K880-L962 HydrophobicContact CG-CD2 4.49Å
881	N	82.9	Confident	83.7	Confident	94 Å²	94	60.7 Å²	60.7	50%	0.503	32%	0.323	S	S	.	.	H	α-helix	trans	-75.5	-41.5	-179.4	-64.9	-20.1	0	0	0	111.8	V877 Q878 L879 T884	V877-N881 VanDerWaalsContact O-CG 3.22Å; V877-N881 PolarHBondContact O-N 2.82Å; V877-N881 PolarHBondContact O-ND2 2.7Å; Q878-N881 PolarHBondContact O-N 2.79Å; Q878-N881 VanDerWaalsContact O-N 3.13Å; L879-N881 VanDerWaalsContact C-N 3.33Å; L879-N881 PolarHBondContact O-N 2.94Å; N881-T884 PolarHBondContact O-OG1 2.79Å
882	D	81.3	Confident	83.7	Confident	57 Å²	57	62.4 Å²	62.4	31%	0.305	33%	0.332	S	S	.	.	H	α-helix	trans	-87.6	-24.8	-169	-62.3	-14	0	0	0	113.9	Q878 T884 G885 L886	Q878-D882 WeakPolarHBondContact CG-OD2 3.33Å; Q878-D882 PolarHBondContact NE2-OD1 3.12Å; Q878-D882 PolarHBondContact NE2-OD2 2.98Å; Q878-D882 PolarHBondContact O-N 3.01Å; D882-T884 PolarHBondContact O-N 3.16Å; D882-G885 PolarHBondContact O-N 2.91Å; D882-L886 HydrophobicContact CB-CD1 3.45Å; D882-L886 VanDerWaalsContact CB-CD1 3.45Å; D882-L886 HydrophobicContact CB-CG 3.86Å; D882-L886 VanDerWaalsContact O-CG 3.29Å; D882-L886 WeakPolarHBondContact O-CG 3.4Å; D882-L886 PolarHBondContact O-N 3.48Å
883	I	80.9	Confident	83.5	Confident	5 Å²	5	66.1 Å²	66.1	3%	0.026	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-25.7	-174.4	-167.1	176	0	0	0	115.3	L879 K880 Y891 K958 M961 L962	L879-I883 VanDerWaalsContact O-CB 3.31Å; L879-I883 WeakPolarHBondContact O-CB 3.18Å; L879-I883 PolarHBondContact O-N 3.38Å; L879-I883 VanDerWaalsContact O-N 3.16Å; K880-I883 WeakPolarHBondContact O-CG2 3.42Å; I883-Y891 HydrophobicContact CG1-CE1 4.44Å; I883-K958 HydrophobicContact CD1-CB 3.87Å; I883-K958 HydrophobicContact CD1-CG 3.99Å; I883-K958 HydrophobicContact CG1-CB 4.5Å; I883-K958 HydrophobicContact CG1-CG 4.13Å; I883-K958 WeakPolarHBondContact O-CE 3.42Å; I883-M961 HydrophobicContact CD1-CE 3.42Å; I883-M961 VanDerWaalsContact CD1-CE 3.42Å; I883-M961 HydrophobicContact CG1-CE 4.01Å; I883-L962 HydrophobicContact CB-CD2 4.5Å; I883-L962 HydrophobicContact CD1-CD1 4.07Å; I883-L962 HydrophobicContact CD1-CD2 3.68Å; I883-L962 HydrophobicContact CD1-CG 3.62Å; I883-L962 HydrophobicContact CG2-CD1 4.03Å; I883-L962 HydrophobicContact CG2-CD2 4.12Å; I883-L962 HydrophobicContact CG2-CG 4.45Å
884	T	74.6	Confident	83.3	Confident	114 Å²	114	65.1 Å²	65.1	70%	0.699	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-31	179.5	50.9	0	0	0	0	112.3	N881 D882	N881-T884 PolarHBondContact O-OG1 2.79Å; D882-T884 PolarHBondContact O-N 3.16Å
885	G	73.8	Confident	83.3	Confident	61 Å²	61	59.4 Å²	59.4	63%	0.629	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-19.1	177.1	0	0	0	0	0	115.2	D882	D882-G885 PolarHBondContact O-N 2.91Å
886	L	80.6	Confident	83.4	Confident	31 Å²	31	64.6 Å²	64.6	16%	0.162	35%	0.346	C	S	.	.			trans	-71.9	140.4	-178.1	-75.1	167.1	0	0	0	113.9	D882 Q890 Y891 I894	D882-L886 HydrophobicContact CB-CD1 3.45Å; D882-L886 VanDerWaalsContact CB-CD1 3.45Å; D882-L886 HydrophobicContact CB-CG 3.86Å; D882-L886 VanDerWaalsContact O-CG 3.29Å; D882-L886 WeakPolarHBondContact O-CG 3.4Å; D882-L886 PolarHBondContact O-N 3.48Å; L886-Q890 HydrophobicContact CD2-CB 3.96Å; L886-Y891 HydrophobicContact CB-CD1 4.15Å; L886-Y891 HydrophobicContact CB-CE1 3.71Å; L886-Y891 WeakPolarHBondContact O-CE1 3.33Å; L886-Y891 PolarHBondContact O-OH 3.49Å; L886-I894 HydrophobicContact CD1-CD1 3.3Å; L886-I894 HydrophobicContact CD2-CD1 4.38Å; L886-I894 HydrophobicContact CG-CD1 4.48Å
887	Q	81.4	Confident	83.5	Confident	110 Å²	110	66.1 Å²	66.1	51%	0.514	36%	0.357	S	S	.	.			trans	-78.1	151	170.9	-59.6	-57.6	-26.8	0	0	111.5	E889 Q890	Q887-E889 PolarHBondContact O-N 2.81Å; Q887-E889 VanDerWaalsContact O-N 3.15Å; Q887-Q890 HydrophobicContact CB-CG 4.44Å; Q887-Q890 WeakPolarHBondContact O-CB 3.14Å; Q887-Q890 PolarHBondContact O-N 2.9Å
888	P	81.3	Confident	83.8	Confident	9 Å²	9	62.7 Å²	62.7	6%	0.058	34%	0.337	C	S	.	.	H	α-helix	trans	-55.5	-36.2	-173.1	-23.7	32.3	0	0	0	114.3	Q890 Y891 Q946	P888-Q890 PolarHBondContact O-N 3.49Å; P888-Y891 HydrophobicContact CB-CE2 4.31Å; P888-Y891 WeakPolarHBondContact O-CB 3.16Å; P888-Y891 PolarHBondContact O-N 3.03Å; P888-Q946 HydrophobicContact CB-CG 4.26Å; P888-Q946 WeakPolarHBondContact O-CG 3.43Å; P888-Q946 PolarHBondContact O-NE2 2.99Å
889	E	79.9	Confident	84.2	Confident	134 Å²	134	59.1 Å²	59.1	63%	0.626	33%	0.325	S	S	*	.	H	α-helix	trans	-62.3	-32.1	-179.1	-60.5	65.4	-138.2	0	0	111	Q887	Q887-E889 PolarHBondContact O-N 2.81Å; Q887-E889 VanDerWaalsContact O-N 3.15Å
890	Q	82.6	Confident	84.5	Confident	94 Å²	94	63.5 Å²	63.5	44%	0.439	35%	0.346	S	S	.	.	H	α-helix	trans	-77.1	-19.5	-177.6	-57	175.3	-54.3	0	0	112.6	L886 Q887 P888 N892 S893	L886-Q890 HydrophobicContact CD2-CB 3.96Å; Q887-Q890 HydrophobicContact CB-CG 4.44Å; Q887-Q890 WeakPolarHBondContact O-CB 3.14Å; Q887-Q890 PolarHBondContact O-N 2.9Å; P888-Q890 PolarHBondContact O-N 3.49Å; Q890-N892 PolarHBondContact O-N 2.95Å; Q890-S893 VanDerWaalsContact O-CB 3.26Å; Q890-S893 WeakPolarHBondContact O-CB 3.39Å; Q890-S893 PolarHBondContact O-N 3.34Å
891	Y	86.4	Confident	84.8	Confident	4 Å²	4	58 Å²	58	2%	0.016	33%	0.325	C	S	.	.	H	α-helix	trans	-58.8	-35.1	178.4	-57.3	-13.9	0	0	0	111.7	I883 L886 P888 S893 I894 V895 A945 Q946 K958 M961	I883-Y891 HydrophobicContact CG1-CE1 4.44Å; L886-Y891 HydrophobicContact CB-CD1 4.15Å; L886-Y891 HydrophobicContact CB-CE1 3.71Å; L886-Y891 WeakPolarHBondContact O-CE1 3.33Å; L886-Y891 PolarHBondContact O-OH 3.49Å; P888-Y891 HydrophobicContact CB-CE2 4.31Å; P888-Y891 WeakPolarHBondContact O-CB 3.16Å; P888-Y891 PolarHBondContact O-N 3.03Å; Y891-S893 PolarHBondContact O-N 3.29Å; Y891-I894 PolarHBondContact O-N 3.46Å; Y891-V895 WeakPolarHBondContact O-CG2 3.32Å; Y891-V895 PolarHBondContact O-N 3.31Å; Y891-A945 HydrophobicContact CE2-CB 4.39Å; Y891-Q946 HydrophobicContact CD2-CG 4.19Å; Y891-K958 WeakPolarHBondContact OH-CE 3.43Å; Y891-M961 HydrophobicContact CD1-CE 4.47Å; Y891-M961 HydrophobicContact CD2-CE 3.87Å; Y891-M961 HydrophobicContact CD2-SD 4.41Å; Y891-M961 HydrophobicContact CE2-CE 4.19Å; Y891-M961 HydrophobicContact CG-CE 4.04Å
892	N	86.3	Confident	85.4	Confident	84 Å²	84	53.7 Å²	53.7	45%	0.449	30%	0.302	S	S	.	.	H	α-helix	trans	-56	-35.8	173.1	-81	-54.7	0	0	0	112.9	Q890 K896 M942 Q946	Q890-N892 PolarHBondContact O-N 2.95Å; N892-K896 WeakPolarHBondContact O-CB 3.38Å; N892-K896 PolarHBondContact O-N 3.34Å; N892-K896 VanDerWaalsContact O-N 3.08Å; N892-M942 WeakPolarHBondContact OD1-CE 3.29Å; N892-Q946 PolarHBondContact ND2-NE2 2.96Å
893	S	86.4	Confident	86	Confident	78 Å²	78	58.9 Å²	58.9	55%	0.545	32%	0.317	S	S	.	.	H	α-helix	trans	-68.2	-46.1	-178.2	-164.6	0	0	0	0	111	Q890 Y891 K896 S897	Q890-S893 VanDerWaalsContact O-CB 3.26Å; Q890-S893 WeakPolarHBondContact O-CB 3.39Å; Q890-S893 PolarHBondContact O-N 3.34Å; Y891-S893 PolarHBondContact O-N 3.29Å; S893-K896 WeakPolarHBondContact O-CB 3.31Å; S893-K896 PolarHBondContact O-N 3.22Å; S893-S897 PolarHBondContact O-N 3Å; S893-S897 PolarHBondContact O-OG 3.09Å
894	I	84.6	Confident	86.5	Confident	25 Å²	25	61 Å²	61	13%	0.128	33%	0.328	C	S	.	.	H	α-helix	trans	-78.5	-39.8	-175	-58.1	178.4	0	0	0	111.4	V875 L879 L886 Y891 K896 S897 V898	V875-I894 HydrophobicContact CG1-CG2 4.49Å; L879-I894 HydrophobicContact CB-CG2 3.75Å; L879-I894 HydrophobicContact CD1-CB 4.27Å; L879-I894 HydrophobicContact CD1-CG2 3.85Å; L879-I894 HydrophobicContact CG-CG2 4.26Å; L886-I894 HydrophobicContact CD1-CD1 3.3Å; L886-I894 HydrophobicContact CD2-CD1 4.38Å; L886-I894 HydrophobicContact CG-CD1 4.48Å; Y891-I894 PolarHBondContact O-N 3.46Å; I894-K896 PolarHBondContact O-N 2.83Å; I894-S897 CarbonylContact O-C 3.57Å; I894-S897 WeakPolarHBondContact O-CA 3.28Å; I894-S897 WeakPolarHBondContact O-CB 3.36Å; I894-S897 PolarHBondContact O-N 3.12Å; I894-V898 WeakPolarHBondContact O-CG2 3.45Å; I894-V898 PolarHBondContact O-N 2.84Å
895	V	90.1	Very high	87.4	Confident	5 Å²	5	55.5 Å²	55.5	3%	0.03	30%	0.295	C	S	.	.	H	α-helix	trans	-64.1	-32.4	172.6	175.6	0	0	0	0	110.8	Y891 V898 G899 M935 L938 I939 M942 M961	Y891-V895 WeakPolarHBondContact O-CG2 3.32Å; Y891-V895 PolarHBondContact O-N 3.31Å; V895-V898 PolarHBondContact O-N 3.49Å; V895-G899 PolarHBondContact O-N 3.25Å; V895-M935 HydrophobicContact CG1-CE 3.65Å; V895-M935 VanDerWaalsContact O-CE 3.25Å; V895-M935 WeakPolarHBondContact O-CE 3.49Å; V895-L938 HydrophobicContact CG1-CD2 4.42Å; V895-L938 HydrophobicContact CG1-CG 4.21Å; V895-L938 HydrophobicContact CG2-CG 4.4Å; V895-I939 HydrophobicContact CG1-CG1 3.82Å; V895-M942 HydrophobicContact CB-CG 4.49Å; V895-M942 HydrophobicContact CB-SD 3.63Å; V895-M942 HydrophobicContact CG1-SD 3.96Å; V895-M942 HydrophobicContact CG2-CB 4.18Å; V895-M942 HydrophobicContact CG2-CG 3.88Å; V895-M942 HydrophobicContact CG2-SD 3.69Å; V895-M961 HydrophobicContact CG2-SD 4.47Å
896	K	89.8	Confident	88.2	Confident	146 Å²	146	53.8 Å²	53.8	64%	0.635	27%	0.271	S	S	*	.	H	α-helix	trans	-63.7	-41	168.4	-177	-179.1	177.8	-173.6	0	112	N892 S893 I894 G899 M900	N892-K896 WeakPolarHBondContact O-CB 3.38Å; N892-K896 PolarHBondContact O-N 3.34Å; N892-K896 VanDerWaalsContact O-N 3.08Å; S893-K896 WeakPolarHBondContact O-CB 3.31Å; S893-K896 PolarHBondContact O-N 3.22Å; I894-K896 PolarHBondContact O-N 2.83Å; K896-G899 CarbonylContact O-C 3.59Å; K896-G899 PolarHBondContact O-N 2.85Å; K896-M900 WeakPolarHBondContact O-CG 3.28Å; K896-M900 PolarHBondContact O-N 2.66Å
897	S	90.6	Very high	88.8	Confident	44 Å²	44	57.7 Å²	57.7	31%	0.308	28%	0.283	S	S	.	.	H	α-helix	trans	-63	-42.5	173.9	-61.1	0	0	0	0	113	S893 I894 G899 M900 A901	S893-S897 PolarHBondContact O-N 3Å; S893-S897 PolarHBondContact O-OG 3.09Å; I894-S897 CarbonylContact O-C 3.57Å; I894-S897 WeakPolarHBondContact O-CA 3.28Å; I894-S897 WeakPolarHBondContact O-CB 3.36Å; I894-S897 PolarHBondContact O-N 3.12Å; S897-G899 VanDerWaalsContact C-N 3.32Å; S897-G899 PolarHBondContact O-N 2.98Å; S897-M900 PolarHBondContact O-N 3.03Å; S897-M900 VanDerWaalsContact O-N 3.15Å; S897-A901 PolarHBondContact O-N 2.88Å
898	V	91.9	Very high	89.2	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-57.4	-46.6	172	176.7	0	0	0	0	110.2	L872 V875 V876 I894 V895 M900 A901 L902 M935 L938 L968	L872-V898 HydrophobicContact CD1-CG1 3.76Å; V875-V898 HydrophobicContact CB-CG2 4.41Å; V875-V898 HydrophobicContact CG1-CB 4.48Å; V875-V898 HydrophobicContact CG1-CG2 3.63Å; V876-V898 HydrophobicContact CG2-CG1 4.27Å; V876-V898 HydrophobicContact CG2-CG2 4.26Å; I894-V898 WeakPolarHBondContact O-CG2 3.45Å; I894-V898 PolarHBondContact O-N 2.84Å; V895-V898 PolarHBondContact O-N 3.49Å; V898-M900 VanDerWaalsContact C-N 3.28Å; V898-M900 PolarHBondContact O-N 2.87Å; V898-A901 PolarHBondContact O-N 3.4Å; V898-L902 WeakPolarHBondContact O-CB 3.26Å; V898-L902 PolarHBondContact O-N 3.16Å; V898-M935 HydrophobicContact CB-CE 4.48Å; V898-M935 HydrophobicContact CG1-CE 4.42Å; V898-M935 HydrophobicContact CG1-SD 3.92Å; V898-L938 HydrophobicContact CB-CD2 4.47Å; V898-L938 HydrophobicContact CG1-CD2 3.89Å; V898-L968 HydrophobicContact CG1-CD2 3.5Å
899	G	92.1	Very high	89.6	Confident	18 Å²	18	52.2 Å²	52.2	19%	0.186	26%	0.258	C	S	.	.	H	α-helix	trans	-68.7	-17.4	177.7	0	0	0	0	0	115.5	V895 K896 S897 R903	V895-G899 PolarHBondContact O-N 3.25Å; K896-G899 CarbonylContact O-C 3.59Å; K896-G899 PolarHBondContact O-N 2.85Å; S897-G899 VanDerWaalsContact C-N 3.32Å; S897-G899 PolarHBondContact O-N 2.98Å; G899-R903 WeakPolarHBondContact O-CB 3.44Å; G899-R903 PolarHBondContact O-N 3.31Å
900	M	91.8	Very high	90	Very high	92 Å²	92	49.2 Å²	49.2	45%	0.453	25%	0.246	S	C	.	.	H	α-helix	trans	-82.1	-49.3	169.4	-69.7	-173.3	-54.8	0	0	110.6	K896 S897 V898 L902 R903 D904	K896-M900 WeakPolarHBondContact O-CG 3.28Å; K896-M900 PolarHBondContact O-N 2.66Å; S897-M900 PolarHBondContact O-N 3.03Å; S897-M900 VanDerWaalsContact O-N 3.15Å; V898-M900 VanDerWaalsContact C-N 3.28Å; V898-M900 PolarHBondContact O-N 2.87Å; M900-L902 VanDerWaalsContact C-N 3.3Å; M900-L902 PolarHBondContact O-N 2.62Å; M900-R903 WeakPolarHBondContact O-CA 3.27Å; M900-R903 WeakPolarHBondContact O-CB 3.38Å; M900-R903 PolarHBondContact O-N 3.02Å; M900-D904 PolarHBondContact O-N 2.95Å
901	A	92.1	Very high	90.2	Very high	13 Å²	13	50.2 Å²	50.2	11%	0.107	25%	0.254	C	S	.	.	H	α-helix	trans	-57.7	-41.5	176.5	0	0	0	0	0	112.2	L872 V875 S897 V898 R903 D904 L905	L872-A901 HydrophobicContact CB-CB 4.09Å; L872-A901 HydrophobicContact CD1-CB 3.98Å; V875-A901 HydrophobicContact CG2-CB 4.49Å; S897-A901 PolarHBondContact O-N 2.88Å; V898-A901 PolarHBondContact O-N 3.4Å; A901-R903 VanDerWaalsContact C-N 3.33Å; A901-R903 PolarHBondContact O-N 2.91Å; A901-D904 PolarHBondContact O-N 3.44Å; A901-L905 VanDerWaalsContact O-CB 3.31Å; A901-L905 WeakPolarHBondContact O-CB 3.35Å; A901-L905 PolarHBondContact O-N 3.07Å
902	L	94.8	Very high	90	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-63.3	-36.3	173.5	176.9	62.2	0	0	0	112.7	L872 V898 M900 L905 I906 L931 M935 L968	L872-L902 HydrophobicContact CD1-CB 4.21Å; L872-L902 HydrophobicContact CD2-CB 4.22Å; L872-L902 HydrophobicContact CD2-CD1 4.03Å; V898-L902 WeakPolarHBondContact O-CB 3.26Å; V898-L902 PolarHBondContact O-N 3.16Å; M900-L902 VanDerWaalsContact C-N 3.3Å; M900-L902 PolarHBondContact O-N 2.62Å; L902-L905 HydrophobicContact CD1-CD2 4.35Å; L902-I906 HydrophobicContact CD1-CD1 3.95Å; L902-I906 HydrophobicContact CD1-CG1 4.17Å; L902-I906 HydrophobicContact CG-CD1 3.89Å; L902-I906 HydrophobicContact CG-CG1 4.5Å; L902-I906 WeakPolarHBondContact O-CB 3.49Å; L902-I906 VanDerWaalsContact O-CG1 3.26Å; L902-I906 WeakPolarHBondContact O-CG1 3.27Å; L902-I906 PolarHBondContact O-N 3.49Å; L902-L931 HydrophobicContact CD1-CB 3.93Å; L902-L931 HydrophobicContact CD1-CD1 4.05Å; L902-M935 HydrophobicContact CD2-CB 3.6Å; L902-M935 HydrophobicContact CD2-CG 3.84Å; L902-M935 HydrophobicContact CD2-SD 4.11Å; L902-L968 HydrophobicContact CD1-CD1 4.44Å; L902-L968 HydrophobicContact CD2-CD1 3.99Å
903	R	93.6	Very high	89.9	Confident	165 Å²	165	48.2 Å²	48.2	62%	0.623	25%	0.245	S	C	*	.	H	α-helix	trans	-69.4	-40.6	178.7	-178.3	-175.5	-59.2	-165.3	-2.7	112	G899 M900 A901 I906 R907	G899-R903 WeakPolarHBondContact O-CB 3.44Å; G899-R903 PolarHBondContact O-N 3.31Å; M900-R903 WeakPolarHBondContact O-CA 3.27Å; M900-R903 WeakPolarHBondContact O-CB 3.38Å; M900-R903 PolarHBondContact O-N 3.02Å; A901-R903 VanDerWaalsContact C-N 3.33Å; A901-R903 PolarHBondContact O-N 2.91Å; R903-I906 PolarHBondContact O-N 3.26Å; R903-R907 PolarHBondContact O-N 2.95Å
904	D	92.9	Very high	89.7	Confident	49 Å²	49	48.7 Å²	48.7	26%	0.262	25%	0.246	S	C	.	.	H	α-helix	trans	-73.3	-34.4	179	-62.2	-35.4	0	0	0	110.9	Y868 M900 A901 R907 S908	Y868-D904 HydrophobicContact CD1-CB 3.94Å; Y868-D904 HydrophobicContact CE1-CB 3.8Å; M900-D904 PolarHBondContact O-N 2.95Å; A901-D904 PolarHBondContact O-N 3.44Å; D904-R907 PolarHBondContact O-N 2.98Å; D904-R907 IonicContact OD1-CZ 3.19Å; D904-R907 IonicContact OD1-NH1 2.66Å; D904-R907 PolarHBondContact OD1-NH1 3.11Å; D904-R907 IonicContact OD1-NH2 2.7Å; D904-R907 PolarHBondContact OD1-NH2 2.86Å; D904-S908 PolarHBondContact O-N 3.34Å
905	L	92.5	Very high	89.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57.5	-55	165.4	172.9	57.8	0	0	0	112.2	V865 V869 L872 A901 L902 R907 S908 V909 M975	V865-L905 HydrophobicContact CG1-CD1 4.11Å; V869-L905 HydrophobicContact CG2-CD1 3.41Å; V869-L905 VanDerWaalsContact CG2-CD1 3.41Å; V869-L905 HydrophobicContact CG2-CD2 3.74Å; V869-L905 HydrophobicContact CG2-CG 4.22Å; L872-L905 HydrophobicContact CD2-CD2 3.7Å; A901-L905 VanDerWaalsContact O-CB 3.31Å; A901-L905 WeakPolarHBondContact O-CB 3.35Å; A901-L905 PolarHBondContact O-N 3.07Å; L902-L905 HydrophobicContact CD1-CD2 4.35Å; L905-R907 VanDerWaalsContact C-N 3.3Å; L905-R907 PolarHBondContact O-N 2.92Å; L905-S908 PolarHBondContact O-N 2.74Å; L905-S908 PolarHBondContact O-OG 3.44Å; L905-V909 HydrophobicContact CD1-CG2 4.35Å; L905-V909 PolarHBondContact O-N 2.93Å; L905-V909 VanDerWaalsContact O-N 3.08Å; L905-M975 HydrophobicContact CD1-CE 3.91Å; L905-M975 HydrophobicContact CD2-CE 3.62Å; L905-M975 HydrophobicContact CG-CE 3.56Å
906	I	91.6	Very high	88.6	Confident	24 Å²	24	50.6 Å²	50.6	12%	0.123	26%	0.261	C	S	.	.	H	α-helix	trans	-56.1	-45.9	179.5	-73.4	165.9	0	0	0	110.3	L902 R903 S908 V909 D910 N932	L902-I906 HydrophobicContact CD1-CD1 3.95Å; L902-I906 HydrophobicContact CD1-CG1 4.17Å; L902-I906 HydrophobicContact CG-CD1 3.89Å; L902-I906 HydrophobicContact CG-CG1 4.5Å; L902-I906 WeakPolarHBondContact O-CB 3.49Å; L902-I906 VanDerWaalsContact O-CG1 3.26Å; L902-I906 WeakPolarHBondContact O-CG1 3.27Å; L902-I906 PolarHBondContact O-N 3.49Å; R903-I906 PolarHBondContact O-N 3.26Å; I906-S908 VanDerWaalsContact C-N 3.32Å; I906-S908 PolarHBondContact O-N 3.47Å; I906-V909 CarbonylContact O-C 3.6Å; I906-V909 WeakPolarHBondContact O-CA 3.41Å; I906-V909 WeakPolarHBondContact O-CB 3.26Å; I906-V909 PolarHBondContact O-N 3.37Å; I906-D910 VanDerWaalsContact O-CG 3.27Å; I906-D910 PolarHBondContact O-N 3.46Å; I906-N932 WeakPolarHBondContact CD1-ND2 3.41Å
907	R	91.4	Very high	87.8	Confident	113 Å²	113	49.4 Å²	49.4	43%	0.426	26%	0.258	S	S	.	.	H	α-helix	trans	-57.8	-42.3	175.8	-166.8	-170.7	-51.4	107.8	12	112.4	R903 D904 L905 V909 D910 D911	R903-R907 PolarHBondContact O-N 2.95Å; D904-R907 PolarHBondContact O-N 2.98Å; D904-R907 IonicContact OD1-CZ 3.19Å; D904-R907 IonicContact OD1-NH1 2.66Å; D904-R907 PolarHBondContact OD1-NH1 3.11Å; D904-R907 IonicContact OD1-NH2 2.7Å; D904-R907 PolarHBondContact OD1-NH2 2.86Å; L905-R907 VanDerWaalsContact C-N 3.3Å; L905-R907 PolarHBondContact O-N 2.92Å; R907-V909 PolarHBondContact O-N 2.85Å; R907-D910 WeakPolarHBondContact O-CB 3.45Å; R907-D910 PolarHBondContact O-N 3.46Å; R907-D911 PolarHBondContact O-N 3.33Å
908	S	91.2	Very high	86.8	Confident	4 Å²	4	54.7 Å²	54.7	3%	0.028	28%	0.277	C	S	.	.	H	α-helix	trans	-66.9	-24.1	177.9	75.3	0	0	0	0	113.8	V865 D904 L905 I906 V912	V865-S908 WeakPolarHBondContact CG2-O 3.26Å; D904-S908 PolarHBondContact O-N 3.34Å; L905-S908 PolarHBondContact O-N 2.74Å; L905-S908 PolarHBondContact O-OG 3.44Å; I906-S908 VanDerWaalsContact C-N 3.32Å; I906-S908 PolarHBondContact O-N 3.47Å; S908-V912 WeakPolarHBondContact O-CG2 3.49Å
909	V	89.1	Confident	85.4	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.006	30%	0.303	C	S	.	.	H	α-helix	trans	-80.1	-40.1	170.9	176.1	0	0	0	0	110.4	V865 L905 I906 R907 D911 V912 L913 I924 M975 V979	V865-V909 HydrophobicContact CG1-CG2 3.81Å; V865-V909 HydrophobicContact CG2-CG2 4.25Å; L905-V909 HydrophobicContact CD1-CG2 4.35Å; L905-V909 PolarHBondContact O-N 2.93Å; L905-V909 VanDerWaalsContact O-N 3.08Å; I906-V909 CarbonylContact O-C 3.6Å; I906-V909 WeakPolarHBondContact O-CA 3.41Å; I906-V909 WeakPolarHBondContact O-CB 3.26Å; I906-V909 PolarHBondContact O-N 3.37Å; R907-V909 PolarHBondContact O-N 2.85Å; V909-D911 VanDerWaalsContact C-N 3.29Å; V909-D911 PolarHBondContact O-N 3.2Å; V909-V912 CarbonylContact O-C 3.58Å; V909-V912 WeakPolarHBondContact O-CA 3.41Å; V909-V912 PolarHBondContact O-N 2.98Å; V909-L913 HydrophobicContact CG1-CD1 4.5Å; V909-L913 HydrophobicContact CG1-CG 4.28Å; V909-L913 WeakPolarHBondContact O-CG 3.28Å; V909-L913 PolarHBondContact O-N 3.48Å; V909-I924 HydrophobicContact CG1-CG2 3.4Å; V909-I924 VanDerWaalsContact CG1-CG2 3.4Å; V909-M975 HydrophobicContact CG2-CE 3.92Å; V909-M975 HydrophobicContact CG2-SD 4.21Å; V909-V979 HydrophobicContact CG1-CG2 4.14Å; V909-V979 HydrophobicContact CG2-CG2 4.31Å
910	D	88.3	Confident	84.1	Confident	70 Å²	70	58.1 Å²	58.1	37%	0.374	30%	0.297	S	S	.	.	H	α-helix	trans	-60.4	-36.7	174.1	-62.4	-28.1	0	0	0	112.2	I906 R907 V912 P914 Q928	I906-D910 VanDerWaalsContact O-CG 3.27Å; I906-D910 PolarHBondContact O-N 3.46Å; R907-D910 WeakPolarHBondContact O-CB 3.45Å; R907-D910 PolarHBondContact O-N 3.46Å; D910-V912 PolarHBondContact O-N 2.97Å; D910-P914 WeakPolarHBondContact O-CD 3.25Å; D910-Q928 PolarHBondContact OD1-NE2 2.92Å
911	D	86.8	Confident	83.3	Confident	116 Å²	116	57.7 Å²	57.7	62%	0.62	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-25.3	173.1	-71.5	-27.3	0	0	0	112.4	R907 V909	R907-D911 PolarHBondContact O-N 3.33Å; V909-D911 VanDerWaalsContact C-N 3.29Å; V909-D911 PolarHBondContact O-N 3.2Å
912	V	83	Confident	82.5	Confident	28 Å²	28	61.4 Å²	61.4	17%	0.17	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-33.5	-177.2	174	0	0	0	0	112.4	V865 S908 V909 D910 P914 S915 L916	V865-V912 HydrophobicContact CG2-CG2 4.19Å; S908-V912 WeakPolarHBondContact O-CG2 3.49Å; V909-V912 CarbonylContact O-C 3.58Å; V909-V912 WeakPolarHBondContact O-CA 3.41Å; V909-V912 PolarHBondContact O-N 2.98Å; D910-V912 PolarHBondContact O-N 2.97Å; V912-P914 VanDerWaalsContact C-CD 3.45Å; V912-P914 VanDerWaalsContact C-N 3.33Å; V912-S915 PolarHBondContact O-N 2.99Å; V912-S915 PolarHBondContact O-OG 2.95Å; V912-L916 HydrophobicContact CG1-CD1 3.98Å; V912-L916 HydrophobicContact CG1-CG 4.17Å
913	L	82.4	Confident	81.5	Confident	17 Å²	17	65.5 Å²	65.5	9%	0.089	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-47.5	-43	-179.3	-83.3	173.9	0	0	0	114.1	V909 S915 L916 R921 I924	V909-L913 HydrophobicContact CG1-CD1 4.5Å; V909-L913 HydrophobicContact CG1-CG 4.28Å; V909-L913 WeakPolarHBondContact O-CG 3.28Å; V909-L913 PolarHBondContact O-N 3.48Å; L913-S915 PolarHBondContact O-N 3.34Å; L913-S915 VanDerWaalsContact O-N 3.14Å; L913-L916 PolarHBondContact O-N 3.47Å; L913-L916 VanDerWaalsContact O-N 3.1Å; L913-R921 HydrophobicContact CD2-CB 3.99Å; L913-R921 HydrophobicContact CD2-CG 4Å; L913-R921 VanDerWaalsContact O-CZ 3.29Å; L913-R921 PolarHBondContact O-NE 3Å; L913-R921 VanDerWaalsContact O-NE 3.11Å; L913-R921 PolarHBondContact O-NH2 3.23Å; L913-I924 HydrophobicContact CD2-CB 3.98Å; L913-I924 HydrophobicContact CD2-CD1 4.24Å; L913-I924 HydrophobicContact CD2-CG2 3.83Å; L913-I924 HydrophobicContact CG-CG2 4.43Å
914	P	82.6	Confident	81	Confident	89 Å²	89	57.7 Å²	57.7	58%	0.578	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-59	-23.1	177.1	-28.4	36.4	0	0	0	115.6	D910 V912 R921	D910-P914 WeakPolarHBondContact O-CD 3.25Å; V912-P914 VanDerWaalsContact C-CD 3.45Å; V912-P914 VanDerWaalsContact C-N 3.33Å; P914-R921 PolarHBondContact O-NH2 2.81Å
915	S	76.2	Confident	80.5	Confident	64 Å²	64	58.7 Å²	58.7	45%	0.448	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-89.1	-11.5	178.1	70.6	0	0	0	0	114.3	V912 L913 I988	V912-S915 PolarHBondContact O-N 2.99Å; V912-S915 PolarHBondContact O-OG 2.95Å; L913-S915 PolarHBondContact O-N 3.34Å; L913-S915 VanDerWaalsContact O-N 3.14Å; S915-I988 VanDerWaalsContact O-CD1 3.25Å; S915-I988 WeakPolarHBondContact O-CD1 3.4Å
916	L	75.9	Confident	79.9	Confident	5 Å²	5	60.4 Å²	60.4	3%	0.026	32%	0.323	C	S	.	.	S	Bend	trans	-95.4	158.5	-175.2	-62	177.1	0	0	0	112.6	V912 L913 R921 I924 A982 R983 A986	V912-L916 HydrophobicContact CG1-CD1 3.98Å; V912-L916 HydrophobicContact CG1-CG 4.17Å; L913-L916 PolarHBondContact O-N 3.47Å; L913-L916 VanDerWaalsContact O-N 3.1Å; L916-R921 VanDerWaalsContact O-CZ 3.26Å; L916-R921 PolarHBondContact O-NE 3.5Å; L916-R921 PolarHBondContact O-NH2 2.94Å; L916-I924 HydrophobicContact CD1-CD1 3.53Å; L916-A982 HydrophobicContact CD1-CB 3.74Å; L916-A982 HydrophobicContact CD2-CB 3.88Å; L916-A982 HydrophobicContact CG-CB 4.34Å; L916-R983 HydrophobicContact CD2-CG 4.47Å; L916-A986 HydrophobicContact CD2-CB 4.3Å
917	H	73.1	Confident	79.5	Confident	122 Å²	122	60.5 Å²	60.5	57%	0.565	33%	0.325	S	S	*	.			trans	-67.1	140	178.6	-169	-101.1	0	0	0	112	S919 I920 R921	H917-S919 VanDerWaalsContact C-N 3.29Å; H917-S919 PolarHBondContact ND1-OG 2.93Å; H917-S919 PolarHBondContact O-N 3.35Å; H917-I920 HydrophobicContact CB-CD1 4.36Å; H917-I920 HydrophobicContact CB-CG1 4.49Å; H917-I920 PolarHBondContact O-N 2.94Å; H917-R921 PolarHBondContact O-N 3.22Å
918	E	69	Low	79.2	Confident	154 Å²	154	56.1 Å²	56.1	72%	0.72	31%	0.309	S	S	*	.	H	α-helix	trans	-55.7	-39.3	-171.1	-171.7	168	-151.9	0	0	113.5	I920 R921	E918-I920 PolarHBondContact O-N 2.85Å; E918-I920 VanDerWaalsContact O-N 3.14Å; E918-R921 PolarHBondContact O-N 2.93Å
919	S	62.4	Low	79	Confident	77 Å²	77	61.6 Å²	61.6	54%	0.538	33%	0.332	S	S	.	.	H	α-helix	trans	-67.1	-10.3	177.2	70.3	0	0	0	0	115.4	H917 T922	H917-S919 VanDerWaalsContact C-N 3.29Å; H917-S919 PolarHBondContact ND1-OG 2.93Å; H917-S919 PolarHBondContact O-N 3.35Å; S919-T922 PolarHBondContact O-OG1 3.48Å
920	I	65.9	Low	78.8	Confident	13 Å²	13	64.9 Å²	64.9	7%	0.067	35%	0.349	C	S	.	.	H	α-helix	trans	-109.1	-21.1	178	-45.4	175.6	0	0	0	110.5	H917 E918 T922 E923 I924 A982 R985	H917-I920 HydrophobicContact CB-CD1 4.36Å; H917-I920 HydrophobicContact CB-CG1 4.49Å; H917-I920 PolarHBondContact O-N 2.94Å; E918-I920 PolarHBondContact O-N 2.85Å; E918-I920 VanDerWaalsContact O-N 3.14Å; I920-T922 VanDerWaalsContact C-N 3.29Å; I920-T922 PolarHBondContact O-N 2.71Å; I920-E923 WeakPolarHBondContact O-CB 3.3Å; I920-E923 PolarHBondContact O-N 2.93Å; I920-I924 HydrophobicContact CG2-CD1 4.19Å; I920-I924 WeakPolarHBondContact O-CG1 3.32Å; I920-I924 PolarHBondContact O-N 2.93Å; I920-I924 VanDerWaalsContact O-N 3.08Å; I920-A982 HydrophobicContact CB-CB 4.42Å; I920-A982 HydrophobicContact CD1-CB 4.47Å; I920-A982 HydrophobicContact CG2-CB 3.54Å; I920-R985 HydrophobicContact CD1-CB 4.08Å
921	R	75.5	Confident	78.9	Confident	83 Å²	83	61.6 Å²	61.6	31%	0.313	33%	0.332	S	S	.	.	H	α-helix	trans	-58.6	-43.9	170.3	-61.4	-179.5	-166.6	-160.2	-5.2	110.9	L913 P914 L916 H917 E918 E923 I924 E925	L913-R921 HydrophobicContact CD2-CB 3.99Å; L913-R921 HydrophobicContact CD2-CG 4Å; L913-R921 VanDerWaalsContact O-CZ 3.29Å; L913-R921 PolarHBondContact O-NE 3Å; L913-R921 VanDerWaalsContact O-NE 3.11Å; L913-R921 PolarHBondContact O-NH2 3.23Å; P914-R921 PolarHBondContact O-NH2 2.81Å; L916-R921 VanDerWaalsContact O-CZ 3.26Å; L916-R921 PolarHBondContact O-NE 3.5Å; L916-R921 PolarHBondContact O-NH2 2.94Å; H917-R921 PolarHBondContact O-N 3.22Å; E918-R921 PolarHBondContact O-N 2.93Å; R921-E923 VanDerWaalsContact C-N 3.29Å; R921-E923 PolarHBondContact O-N 3.44Å; R921-I924 PolarHBondContact O-N 3.42Å; R921-E925 VanDerWaalsContact O-CB 3.3Å; R921-E925 WeakPolarHBondContact O-CB 3.34Å; R921-E925 VanDerWaalsContact O-CG 3.31Å; R921-E925 WeakPolarHBondContact O-CG 3.36Å; R921-E925 PolarHBondContact O-N 2.82Å
922	T	73.7	Confident	79.1	Confident	91 Å²	91	60.1 Å²	60.1	56%	0.558	32%	0.324	S	S	*	.	H	α-helix	trans	-63.4	-31.6	178.4	52.4	0	0	0	0	113.7	S919 I920 G926	S919-T922 PolarHBondContact O-OG1 3.48Å; I920-T922 VanDerWaalsContact C-N 3.29Å; I920-T922 PolarHBondContact O-N 2.71Å; T922-G926 PolarHBondContact O-N 3.35Å; T922-G926 VanDerWaalsContact O-N 3.14Å
923	E	74.4	Confident	79.5	Confident	91 Å²	91	64 Å²	64	43%	0.425	34%	0.344	S	S	.	.	H	α-helix	trans	-68.3	-51.3	173.6	-172.8	174.7	-169.1	0	0	110.3	I920 R921 G926 T927 R985	I920-E923 WeakPolarHBondContact O-CB 3.3Å; I920-E923 PolarHBondContact O-N 2.93Å; R921-E923 VanDerWaalsContact C-N 3.29Å; R921-E923 PolarHBondContact O-N 3.44Å; E923-G926 WeakPolarHBondContact O-CA 3.47Å; E923-G926 PolarHBondContact O-N 3.01Å; E923-G926 VanDerWaalsContact O-N 3.07Å; E923-T927 PolarHBondContact O-N 2.88Å; E923-T927 VanDerWaalsContact O-N 3.13Å; E923-T927 PolarHBondContact O-OG1 3.49Å; E923-R985 IonicContact OE2-NH1 2.76Å
924	I	83.2	Confident	79.9	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-65.5	-42.2	179.6	-65.8	164.2	0	0	0	111.8	V909 L913 L916 I920 R921 G926 T927 Q928 V979 A982	V909-I924 HydrophobicContact CG1-CG2 3.4Å; V909-I924 VanDerWaalsContact CG1-CG2 3.4Å; L913-I924 HydrophobicContact CD2-CB 3.98Å; L913-I924 HydrophobicContact CD2-CD1 4.24Å; L913-I924 HydrophobicContact CD2-CG2 3.83Å; L913-I924 HydrophobicContact CG-CG2 4.43Å; L916-I924 HydrophobicContact CD1-CD1 3.53Å; I920-I924 HydrophobicContact CG2-CD1 4.19Å; I920-I924 WeakPolarHBondContact O-CG1 3.32Å; I920-I924 PolarHBondContact O-N 2.93Å; I920-I924 VanDerWaalsContact O-N 3.08Å; R921-I924 PolarHBondContact O-N 3.42Å; I924-G926 PolarHBondContact O-N 2.81Å; I924-T927 PolarHBondContact O-N 3.3Å; I924-T927 VanDerWaalsContact O-N 3.13Å; I924-Q928 WeakPolarHBondContact O-CG 3.24Å; I924-Q928 PolarHBondContact O-N 3.03Å; I924-V979 HydrophobicContact CD1-CG2 4.01Å; I924-V979 HydrophobicContact CG1-CG2 4.26Å; I924-V979 HydrophobicContact CG2-CG2 4.19Å; I924-A982 HydrophobicContact CD1-CB 3.92Å
925	E	82.4	Confident	80.5	Confident	70 Å²	70	61 Å²	61	33%	0.327	32%	0.322	S	S	.	.	H	α-helix	trans	-59.7	-33	171.6	-79.6	-178.8	-140.7	0	0	112.3	R921 K929	R921-E925 VanDerWaalsContact O-CB 3.3Å; R921-E925 WeakPolarHBondContact O-CB 3.34Å; R921-E925 VanDerWaalsContact O-CG 3.31Å; R921-E925 WeakPolarHBondContact O-CG 3.36Å; R921-E925 PolarHBondContact O-N 2.82Å; E925-K929 WeakPolarHBondContact O-CB 3.31Å; E925-K929 VanDerWaalsContact O-CD 3.25Å; E925-K929 WeakPolarHBondContact O-CD 3.34Å; E925-K929 WeakPolarHBondContact O-CG 3.35Å; E925-K929 PolarHBondContact O-N 2.98Å; E925-K929 IonicContact OE2-NZ 3.7Å; E925-K929 PolarHBondContact OE2-NZ 3.18Å
926	G	78.8	Confident	81.3	Confident	36 Å²	36	60.6 Å²	60.6	37%	0.371	32%	0.323	S	S	.	.	H	α-helix	trans	-61.7	-48.1	172.4	0	0	0	0	0	111.1	T922 E923 I924 K929 L930	T922-G926 PolarHBondContact O-N 3.35Å; T922-G926 VanDerWaalsContact O-N 3.14Å; E923-G926 WeakPolarHBondContact O-CA 3.47Å; E923-G926 PolarHBondContact O-N 3.01Å; E923-G926 VanDerWaalsContact O-N 3.07Å; I924-G926 PolarHBondContact O-N 2.81Å; G926-K929 WeakPolarHBondContact O-CB 3.34Å; G926-K929 PolarHBondContact O-N 2.87Å; G926-L930 PolarHBondContact O-N 3.44Å
927	T	83.3	Confident	82	Confident	26 Å²	26	64.3 Å²	64.3	16%	0.16	34%	0.34	C	S	.	.	H	α-helix	trans	-68.3	-36.2	176.8	-47	0	0	0	0	112.5	E923 I924 K929 L930 L931 M975	E923-T927 PolarHBondContact O-N 2.88Å; E923-T927 VanDerWaalsContact O-N 3.13Å; E923-T927 PolarHBondContact O-OG1 3.49Å; I924-T927 PolarHBondContact O-N 3.3Å; I924-T927 VanDerWaalsContact O-N 3.13Å; T927-K929 VanDerWaalsContact C-N 3.31Å; T927-K929 PolarHBondContact O-N 3.03Å; T927-L930 WeakPolarHBondContact O-CB 3.3Å; T927-L930 PolarHBondContact O-N 2.94Å; T927-L931 WeakPolarHBondContact O-CG 3.49Å; T927-L931 PolarHBondContact O-N 2.91Å; T927-M975 HydrophobicContact CG2-CB 3.67Å; T927-M975 HydrophobicContact CG2-CG 4.07Å
928	Q	85.8	Confident	83	Confident	20 Å²	20	58.5 Å²	58.5	9%	0.093	31%	0.314	C	S	.	.	H	α-helix	trans	-59.6	-41.4	170.3	-73.3	-180	-31.9	0	0	111.6	D910 I924 L931 N932 M975	D910-Q928 PolarHBondContact OD1-NE2 2.92Å; I924-Q928 WeakPolarHBondContact O-CG 3.24Å; I924-Q928 PolarHBondContact O-N 3.03Å; Q928-L931 PolarHBondContact O-N 3.4Å; Q928-N932 PolarHBondContact O-N 2.81Å; Q928-N932 PolarHBondContact O-ND2 2.83Å; Q928-M975 HydrophobicContact CG-SD 3.88Å
929	K	86.3	Confident	84.2	Confident	120 Å²	120	53.8 Å²	53.8	52%	0.522	29%	0.293	S	S	.	.	H	α-helix	trans	-66.4	-37.8	175.8	-71.4	157	-166.1	151.5	0	111.4	E925 G926 T927 N933	E925-K929 WeakPolarHBondContact O-CB 3.31Å; E925-K929 VanDerWaalsContact O-CD 3.25Å; E925-K929 WeakPolarHBondContact O-CD 3.34Å; E925-K929 WeakPolarHBondContact O-CG 3.35Å; E925-K929 PolarHBondContact O-N 2.98Å; E925-K929 IonicContact OE2-NZ 3.7Å; E925-K929 PolarHBondContact OE2-NZ 3.18Å; G926-K929 WeakPolarHBondContact O-CB 3.34Å; G926-K929 PolarHBondContact O-N 2.87Å; T927-K929 VanDerWaalsContact C-N 3.31Å; T927-K929 PolarHBondContact O-N 3.03Å; K929-N933 PolarHBondContact O-N 2.85Å; K929-N933 PolarHBondContact O-ND2 2.77Å
930	L	86.5	Confident	85.6	Confident	70 Å²	70	53 Å²	53	37%	0.366	29%	0.287	S	S	.	.	H	α-helix	trans	-58.5	-54.6	172.3	177.7	58.2	0	0	0	111.3	G926 T927 N932 N933 D934 D971	G926-L930 PolarHBondContact O-N 3.44Å; T927-L930 WeakPolarHBondContact O-CB 3.3Å; T927-L930 PolarHBondContact O-N 2.94Å; L930-N932 VanDerWaalsContact C-N 3.27Å; L930-N932 PolarHBondContact O-N 2.86Å; L930-N933 CarbonylContact O-C 3.6Å; L930-N933 WeakPolarHBondContact O-CA 3.47Å; L930-N933 VanDerWaalsContact O-CB 3.3Å; L930-N933 WeakPolarHBondContact O-CB 3.29Å; L930-N933 PolarHBondContact O-N 3.35Å; L930-D934 WeakPolarHBondContact CG-OD2 3.36Å; L930-D934 PolarHBondContact O-N 3.13Å; L930-D934 VanDerWaalsContact O-OD2 3.13Å; L930-D971 HydrophobicContact CD2-CB 4.4Å
931	L	90.4	Very high	86.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.9	-32.3	-178.6	-64.7	174.1	0	0	0	114	L902 T927 Q928 N933 D934 M935 L968 D971 M975	L902-L931 HydrophobicContact CD1-CB 3.93Å; L902-L931 HydrophobicContact CD1-CD1 4.05Å; T927-L931 WeakPolarHBondContact O-CG 3.49Å; T927-L931 PolarHBondContact O-N 2.91Å; Q928-L931 PolarHBondContact O-N 3.4Å; L931-N933 VanDerWaalsContact C-N 3.33Å; L931-D934 PolarHBondContact O-N 2.85Å; L931-M935 WeakPolarHBondContact O-CB 3.3Å; L931-M935 PolarHBondContact O-N 2.89Å; L931-L968 HydrophobicContact CB-CD1 4.19Å; L931-L968 HydrophobicContact CD2-CD1 3.8Å; L931-D971 HydrophobicContact CD2-CB 3.67Å; L931-M975 HydrophobicContact CD1-CB 4.23Å; L931-M975 HydrophobicContact CD1-CE 3.4Å; L931-M975 VanDerWaalsContact CD1-CE 3.4Å; L931-M975 HydrophobicContact CD1-SD 3.62Å
932	N	90.8	Very high	87.8	Confident	86 Å²	86	50.8 Å²	50.8	46%	0.46	28%	0.279	S	S	.	.	H	α-helix	trans	-67.5	-34	172.8	-81	-79.3	0	0	0	112.1	I906 Q928 L930 A936	I906-N932 WeakPolarHBondContact CD1-ND2 3.41Å; Q928-N932 PolarHBondContact O-N 2.81Å; Q928-N932 PolarHBondContact O-ND2 2.83Å; L930-N932 VanDerWaalsContact C-N 3.27Å; L930-N932 PolarHBondContact O-N 2.86Å; N932-A936 PolarHBondContact O-N 3.33Å; N932-A936 VanDerWaalsContact O-N 3.12Å
933	N	89.9	Confident	88.6	Confident	109 Å²	109	53.8 Å²	53.8	58%	0.583	28%	0.28	S	S	*	.	H	α-helix	trans	-71.3	-41.9	172.7	-64.3	-35	0	0	0	111.6	K929 L930 L931 M935 A936 E937	K929-N933 PolarHBondContact O-N 2.85Å; K929-N933 PolarHBondContact O-ND2 2.77Å; L930-N933 CarbonylContact O-C 3.6Å; L930-N933 WeakPolarHBondContact O-CA 3.47Å; L930-N933 VanDerWaalsContact O-CB 3.3Å; L930-N933 WeakPolarHBondContact O-CB 3.29Å; L930-N933 PolarHBondContact O-N 3.35Å; L931-N933 VanDerWaalsContact C-N 3.33Å; N933-M935 VanDerWaalsContact C-N 3.3Å; N933-M935 PolarHBondContact O-N 3.45Å; N933-A936 WeakPolarHBondContact O-CB 3.48Å; N933-A936 PolarHBondContact O-N 2.92Å; N933-A936 VanDerWaalsContact O-N 3.09Å; N933-E937 PolarHBondContact O-N 2.94Å
934	D	91.9	Very high	89.2	Confident	24 Å²	24	52.3 Å²	52.3	13%	0.128	28%	0.275	C	S	.	.	H	α-helix	trans	-63.4	-38.1	177.2	-59.8	-45.4	0	0	0	111.6	L930 L931 E937 L938 L968	L930-D934 WeakPolarHBondContact CG-OD2 3.36Å; L930-D934 PolarHBondContact O-N 3.13Å; L930-D934 VanDerWaalsContact O-OD2 3.13Å; L931-D934 PolarHBondContact O-N 2.85Å; D934-E937 PolarHBondContact O-N 2.86Å; D934-L938 WeakPolarHBondContact O-CB 3.39Å; D934-L938 PolarHBondContact O-N 3.05Å; D934-L968 HydrophobicContact CB-CB 4.11Å; D934-L968 HydrophobicContact CB-CD1 3.8Å
935	M	95	Very high	89.4	Confident	18 Å²	18	52.4 Å²	52.4	9%	0.089	28%	0.276	C	S	.	.	H	α-helix	trans	-64.8	-38.4	172.2	-170.6	66.9	-147.9	0	0	112.1	V895 V898 L902 L931 N933 L938 I939 L968	V895-M935 HydrophobicContact CG1-CE 3.65Å; V895-M935 VanDerWaalsContact O-CE 3.25Å; V895-M935 WeakPolarHBondContact O-CE 3.49Å; V898-M935 HydrophobicContact CB-CE 4.48Å; V898-M935 HydrophobicContact CG1-CE 4.42Å; V898-M935 HydrophobicContact CG1-SD 3.92Å; L902-M935 HydrophobicContact CD2-CB 3.6Å; L902-M935 HydrophobicContact CD2-CG 3.84Å; L902-M935 HydrophobicContact CD2-SD 4.11Å; L931-M935 WeakPolarHBondContact O-CB 3.3Å; L931-M935 PolarHBondContact O-N 2.89Å; N933-M935 VanDerWaalsContact C-N 3.3Å; N933-M935 PolarHBondContact O-N 3.45Å; M935-L938 HydrophobicContact CE-CD2 4.39Å; M935-L938 PolarHBondContact O-N 3.11Å; M935-L938 HydrophobicContact SD-CD2 4.28Å; M935-I939 HydrophobicContact CE-CD1 3.99Å; M935-I939 HydrophobicContact CE-CG1 4.02Å; M935-I939 HydrophobicContact CG-CD1 4.35Å; M935-I939 WeakPolarHBondContact O-CD1 3.28Å; M935-I939 VanDerWaalsContact O-CG1 3.28Å; M935-I939 WeakPolarHBondContact O-CG1 3.19Å; M935-I939 PolarHBondContact O-N 2.95Å; M935-L968 HydrophobicContact SD-CD2 3.78Å
936	A	92.5	Very high	89.6	Confident	57 Å²	57	51 Å²	51	47%	0.471	27%	0.269	S	S	.	.	H	α-helix	trans	-66.5	-39.6	174.7	0	0	0	0	0	111.9	N932 N933 I939 S940	N932-A936 PolarHBondContact O-N 3.33Å; N932-A936 VanDerWaalsContact O-N 3.12Å; N933-A936 WeakPolarHBondContact O-CB 3.48Å; N933-A936 PolarHBondContact O-N 2.92Å; N933-A936 VanDerWaalsContact O-N 3.09Å; A936-I939 PolarHBondContact O-N 3.05Å; A936-S940 WeakPolarHBondContact O-CB 3.49Å; A936-S940 PolarHBondContact O-N 2.81Å
937	E	91.3	Very high	89.9	Confident	83 Å²	83	56.2 Å²	56.2	39%	0.388	28%	0.284	S	S	.	.	H	α-helix	trans	-70.7	-35.9	175.6	-177.6	65.6	163.1	0	0	111.9	N933 D934 I939 S940 K941	N933-E937 PolarHBondContact O-N 2.94Å; D934-E937 PolarHBondContact O-N 2.86Å; E937-I939 PolarHBondContact O-N 2.98Å; E937-S940 WeakPolarHBondContact O-CA 3.47Å; E937-S940 VanDerWaalsContact O-CB 3.26Å; E937-S940 WeakPolarHBondContact O-CB 3.28Å; E937-S940 PolarHBondContact O-N 3.41Å; E937-S940 VanDerWaalsContact O-N 3.15Å; E937-S940 WeakPolarHBondContact OE2-CB 3.44Å; E937-S940 PolarHBondContact OE2-OG 2.97Å; E937-K941 WeakPolarHBondContact O-CG 3.22Å; E937-K941 PolarHBondContact O-N 2.99Å; E937-K941 WeakPolarHBondContact OE1-CE 3.46Å; E937-K941 IonicContact OE1-NZ 3.48Å; E937-K941 PolarHBondContact OE1-NZ 2.92Å; E937-K941 IonicContact OE2-NZ 2.7Å
938	L	94.1	Very high	90.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.6	-44.5	170	176	57.2	0	0	0	111.6	V895 V898 D934 M935 S940 K941 M942 M961 A964 A965 L968	V895-L938 HydrophobicContact CG1-CD2 4.42Å; V895-L938 HydrophobicContact CG1-CG 4.21Å; V895-L938 HydrophobicContact CG2-CG 4.4Å; V898-L938 HydrophobicContact CB-CD2 4.47Å; V898-L938 HydrophobicContact CG1-CD2 3.89Å; D934-L938 WeakPolarHBondContact O-CB 3.39Å; D934-L938 PolarHBondContact O-N 3.05Å; M935-L938 HydrophobicContact CE-CD2 4.39Å; M935-L938 PolarHBondContact O-N 3.11Å; M935-L938 HydrophobicContact SD-CD2 4.28Å; L938-S940 VanDerWaalsContact C-N 3.31Å; L938-S940 PolarHBondContact O-N 2.64Å; L938-K941 PolarHBondContact O-N 2.83Å; L938-M942 VanDerWaalsContact O-CB 3.28Å; L938-M942 WeakPolarHBondContact O-CB 3.35Å; L938-M942 PolarHBondContact O-N 3.23Å; L938-M961 HydrophobicContact CD1-CG 3.78Å; L938-M961 WeakPolarHBondContact CD1-O 3.33Å; L938-A964 HydrophobicContact CB-CB 4.27Å; L938-A964 HydrophobicContact CD1-CB 4.31Å; L938-A965 HydrophobicContact CD1-CB 3.85Å; L938-A965 HydrophobicContact CD2-CB 4.27Å; L938-L968 HydrophobicContact CD2-CD2 4.03Å
939	I	92.9	Very high	89.7	Confident	55 Å²	55	56.5 Å²	56.5	28%	0.282	29%	0.287	S	S	.	.	H	α-helix	trans	-63.7	-37.1	174.3	-68.4	163	0	0	0	111.2	V895 M935 A936 E937 R943	V895-I939 HydrophobicContact CG1-CG1 3.82Å; M935-I939 HydrophobicContact CE-CD1 3.99Å; M935-I939 HydrophobicContact CE-CG1 4.02Å; M935-I939 HydrophobicContact CG-CD1 4.35Å; M935-I939 WeakPolarHBondContact O-CD1 3.28Å; M935-I939 VanDerWaalsContact O-CG1 3.28Å; M935-I939 WeakPolarHBondContact O-CG1 3.19Å; M935-I939 PolarHBondContact O-N 2.95Å; A936-I939 PolarHBondContact O-N 3.05Å; E937-I939 PolarHBondContact O-N 2.98Å; I939-R943 WeakPolarHBondContact O-CG 3.43Å; I939-R943 PolarHBondContact O-N 3.43Å
940	S	93.2	Very high	89.2	Confident	59 Å²	59	58.4 Å²	58.4	41%	0.413	30%	0.301	S	S	.	.	H	α-helix	trans	-61.7	-52.6	174.7	-175.4	0	0	0	0	111.6	A936 E937 L938 M942 R943 L944	A936-S940 WeakPolarHBondContact O-CB 3.49Å; A936-S940 PolarHBondContact O-N 2.81Å; E937-S940 WeakPolarHBondContact O-CA 3.47Å; E937-S940 VanDerWaalsContact O-CB 3.26Å; E937-S940 WeakPolarHBondContact O-CB 3.28Å; E937-S940 PolarHBondContact O-N 3.41Å; E937-S940 VanDerWaalsContact O-N 3.15Å; E937-S940 WeakPolarHBondContact OE2-CB 3.44Å; E937-S940 PolarHBondContact OE2-OG 2.97Å; L938-S940 VanDerWaalsContact C-N 3.31Å; L938-S940 PolarHBondContact O-N 2.64Å; S940-M942 VanDerWaalsContact C-N 3.35Å; S940-M942 PolarHBondContact O-N 3.02Å; S940-R943 PolarHBondContact O-N 3.16Å; S940-L944 PolarHBondContact O-N 2.69Å
941	K	93.2	Very high	88.9	Confident	46 Å²	46	57.8 Å²	57.8	20%	0.2	30%	0.3	C	S	.	.	H	α-helix	trans	-64.1	-36.6	176.7	-60.4	-40.3	-166.3	-148.6	0	112.7	E937 L938 L944 A945 Q960 M961 A964	E937-K941 WeakPolarHBondContact O-CG 3.22Å; E937-K941 PolarHBondContact O-N 2.99Å; E937-K941 WeakPolarHBondContact OE1-CE 3.46Å; E937-K941 IonicContact OE1-NZ 3.48Å; E937-K941 PolarHBondContact OE1-NZ 2.92Å; E937-K941 IonicContact OE2-NZ 2.7Å; L938-K941 PolarHBondContact O-N 2.83Å; K941-L944 WeakPolarHBondContact O-CB 3.41Å; K941-L944 PolarHBondContact O-N 2.86Å; K941-A945 WeakPolarHBondContact O-CB 3.31Å; K941-A945 PolarHBondContact O-N 2.9Å; K941-Q960 HydrophobicContact CD-CB 4.3Å; K941-Q960 HydrophobicContact CG-CB 4.42Å; K941-M961 HydrophobicContact CB-CB 4.04Å; K941-A964 HydrophobicContact CG-CB 4.03Å
942	M	93.4	Very high	88.2	Confident	5 Å²	5	63.9 Å²	63.9	3%	0.025	34%	0.343	C	S	.	.	H	α-helix	trans	-61	-46.9	174.7	-177.3	-150.4	69.6	0	0	111.9	N892 V895 L938 S940 L944 A945 Q946 M961	N892-M942 WeakPolarHBondContact OD1-CE 3.29Å; V895-M942 HydrophobicContact CB-CG 4.49Å; V895-M942 HydrophobicContact CB-SD 3.63Å; V895-M942 HydrophobicContact CG1-SD 3.96Å; V895-M942 HydrophobicContact CG2-CB 4.18Å; V895-M942 HydrophobicContact CG2-CG 3.88Å; V895-M942 HydrophobicContact CG2-SD 3.69Å; L938-M942 VanDerWaalsContact O-CB 3.28Å; L938-M942 WeakPolarHBondContact O-CB 3.35Å; L938-M942 PolarHBondContact O-N 3.23Å; S940-M942 VanDerWaalsContact C-N 3.35Å; S940-M942 PolarHBondContact O-N 3.02Å; M942-L944 VanDerWaalsContact C-N 3.31Å; M942-L944 PolarHBondContact O-N 3.47Å; M942-A945 PolarHBondContact O-N 2.94Å; M942-Q946 WeakPolarHBondContact O-CG 3.2Å; M942-Q946 PolarHBondContact O-N 3.43Å; M942-M961 WeakPolarHBondContact CA-SD 3.43Å; M942-M961 HydrophobicContact CB-CG 4.36Å; M942-M961 HydrophobicContact CB-SD 3.56Å; M942-M961 VanDerWaalsContact CB-SD 3.56Å; M942-M961 HydrophobicContact CG-SD 3.73Å
943	R	90.3	Very high	87.5	Confident	153 Å²	153	64.2 Å²	64.2	58%	0.577	34%	0.344	S	S	*	.	H	α-helix	trans	-61.5	-40.7	175.1	-72.8	170.6	177.8	176.9	0.5	111.6	I939 S940 Q946 Q947	I939-R943 WeakPolarHBondContact O-CG 3.43Å; I939-R943 PolarHBondContact O-N 3.43Å; S940-R943 PolarHBondContact O-N 3.16Å; R943-Q946 PolarHBondContact O-N 2.88Å; R943-Q947 WeakPolarHBondContact O-CB 3.49Å; R943-Q947 VanDerWaalsContact O-CG 3.31Å; R943-Q947 WeakPolarHBondContact O-CG 3.3Å; R943-Q947 PolarHBondContact O-N 2.93Å
944	L	87.5	Confident	87.1	Confident	60 Å²	60	62.3 Å²	62.3	31%	0.314	33%	0.331	S	S	.	.	H	α-helix	trans	-63.2	-41.4	176.3	-171.8	68.1	0	0	0	112	S940 K941 M942 Q947 N948	S940-L944 PolarHBondContact O-N 2.69Å; K941-L944 WeakPolarHBondContact O-CB 3.41Å; K941-L944 PolarHBondContact O-N 2.86Å; M942-L944 VanDerWaalsContact C-N 3.31Å; M942-L944 PolarHBondContact O-N 3.47Å; L944-Q947 PolarHBondContact O-N 3.44Å; L944-N948 WeakPolarHBondContact O-CB 3.45Å; L944-N948 PolarHBondContact O-N 2.85Å; L944-N948 PolarHBondContact O-ND2 3.14Å
945	A	87.6	Confident	86.6	Confident	3 Å²	3	66.3 Å²	66.3	3%	0.025	35%	0.349	C	S	.	.	H	α-helix	trans	-68.1	-32.9	175.8	0	0	0	0	0	113.2	Y891 K941 M942 S949 C957	Y891-A945 HydrophobicContact CE2-CB 4.39Å; K941-A945 WeakPolarHBondContact O-CB 3.31Å; K941-A945 PolarHBondContact O-N 2.9Å; M942-A945 PolarHBondContact O-N 2.94Å; A945-S949 PolarHBondContact O-N 3.34Å; A945-C957 HydrophobicContact CB-CB 3.97Å
946	Q	87.4	Confident	86.1	Confident	41 Å²	41	69 Å²	69	19%	0.192	36%	0.361	C	S	.	.	H	α-helix	trans	-68.6	-46.4	171.7	-73.6	176.5	-25.5	0	0	111.8	P888 Y891 N892 M942 R943 N948 S949	P888-Q946 HydrophobicContact CB-CG 4.26Å; P888-Q946 WeakPolarHBondContact O-CG 3.43Å; P888-Q946 PolarHBondContact O-NE2 2.99Å; Y891-Q946 HydrophobicContact CD2-CG 4.19Å; N892-Q946 PolarHBondContact ND2-NE2 2.96Å; M942-Q946 WeakPolarHBondContact O-CG 3.2Å; M942-Q946 PolarHBondContact O-N 3.43Å; R943-Q946 PolarHBondContact O-N 2.88Å; Q946-N948 VanDerWaalsContact C-N 3.31Å; Q946-N948 PolarHBondContact O-N 3.42Å; Q946-S949 VanDerWaalsContact O-CB 3.23Å; Q946-S949 WeakPolarHBondContact O-CB 3.45Å; Q946-S949 PolarHBondContact O-N 3.1Å; Q946-S949 PolarHBondContact O-OG 3.31Å
947	Q	85.3	Confident	85.8	Confident	146 Å²	146	66.6 Å²	66.6	68%	0.682	34%	0.341	S	S	*	.	H	α-helix	trans	-64.1	-33.4	177.9	-72.2	171.6	-8	0	0	113	R943 L944	R943-Q947 WeakPolarHBondContact O-CB 3.49Å; R943-Q947 VanDerWaalsContact O-CG 3.31Å; R943-Q947 WeakPolarHBondContact O-CG 3.3Å; R943-Q947 PolarHBondContact O-N 2.93Å; L944-Q947 PolarHBondContact O-N 3.44Å
948	N	85.8	Confident	85.6	Confident	31 Å²	31	63.5 Å²	63.5	17%	0.166	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	14.1	179.1	-71.7	-81.8	0	0	0	113.9	L944 Q946 I950 T951 L953 C957	L944-N948 WeakPolarHBondContact O-CB 3.45Å; L944-N948 PolarHBondContact O-N 2.85Å; L944-N948 PolarHBondContact O-ND2 3.14Å; Q946-N948 VanDerWaalsContact C-N 3.31Å; Q946-N948 PolarHBondContact O-N 3.42Å; N948-I950 PolarHBondContact O-N 3.38Å; N948-T951 WeakPolarHBondContact CB-OG1 3.15Å; N948-T951 PolarHBondContact O-N 3.02Å; N948-T951 VanDerWaalsContact O-N 3.09Å; N948-T951 PolarHBondContact O-OG1 3.44Å; N948-T951 PolarHBondContact OD1-OG1 3.17Å; N948-T951 VanDerWaalsContact OD1-OG1 3.1Å; N948-L953 HydrophobicContact CB-CB 4.45Å; N948-C957 HydrophobicContact CB-CB 4.43Å
949	S	79.2	Confident	85.3	Confident	21 Å²	21	69.6 Å²	69.6	15%	0.147	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-16.7	-175.1	56.2	0	0	0	0	115.7	A945 Q946 K954	A945-S949 PolarHBondContact O-N 3.34Å; Q946-S949 VanDerWaalsContact O-CB 3.23Å; Q946-S949 WeakPolarHBondContact O-CB 3.45Å; Q946-S949 PolarHBondContact O-N 3.1Å; Q946-S949 PolarHBondContact O-OG 3.31Å; S949-K954 VanDerWaalsContact O-CD 3.25Å; S949-K954 WeakPolarHBondContact O-CD 3.42Å; S949-K954 VanDerWaalsContact O-CE 3.26Å; S949-K954 WeakPolarHBondContact O-CE 3.3Å; S949-K954 PolarHBondContact O-NZ 3.01Å
950	I	75.8	Confident	85.1	Confident	160 Å²	160	69.9 Å²	69.9	82%	0.821	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	4.4	178.1	62.8	171.1	0	0	0	113.4	N948	N948-I950 PolarHBondContact O-N 3.38Å
951	T	79.7	Confident	85	Confident	56 Å²	56	67 Å²	67	34%	0.344	33%	0.333	S	S	.	.	S	Bend	trans	-100.9	166.6	179.6	74.6	0	0	0	0	111.1	N948 L953 K954	N948-T951 WeakPolarHBondContact CB-OG1 3.15Å; N948-T951 PolarHBondContact O-N 3.02Å; N948-T951 VanDerWaalsContact O-N 3.09Å; N948-T951 PolarHBondContact O-OG1 3.44Å; N948-T951 PolarHBondContact OD1-OG1 3.17Å; N948-T951 VanDerWaalsContact OD1-OG1 3.1Å; T951-L953 PolarHBondContact O-N 2.99Å; T951-L953 VanDerWaalsContact O-N 3.08Å; T951-L953 PolarHBondContact OG1-N 3.01Å; T951-K954 WeakPolarHBondContact O-CB 3.44Å; T951-K954 PolarHBondContact O-N 3.47Å; T951-K954 VanDerWaalsContact O-N 3.16Å
952	S	75.4	Confident	84.8	Confident	128 Å²	128	67.1 Å²	67.1	90%	0.895	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-14.6	173.7	49	0	0	0	0	113.9
953	L	76.5	Confident	84.6	Confident	93 Å²	93	69.6 Å²	69.6	49%	0.487	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-4.7	178.9	-58.4	177.8	0	0	0	113.7	N948 T951 E955 E956 C957	N948-L953 HydrophobicContact CB-CB 4.45Å; T951-L953 PolarHBondContact O-N 2.99Å; T951-L953 VanDerWaalsContact O-N 3.08Å; T951-L953 PolarHBondContact OG1-N 3.01Å; L953-E955 PolarHBondContact O-N 3.35Å; L953-E956 PolarHBondContact O-N 3.34Å; L953-C957 PolarHBondContact O-N 3.36Å; L953-C957 PolarHBondContact O-SG 3.14Å
954	K	80.8	Confident	84.7	Confident	69 Å²	69	62.8 Å²	62.8	30%	0.3	33%	0.333	S	S	.	.	H	α-helix	trans	-43.3	-53.2	-174.9	-176.6	-177.5	-168.2	144	0	114.5	S949 T951 C957 K958	S949-K954 VanDerWaalsContact O-CD 3.25Å; S949-K954 WeakPolarHBondContact O-CD 3.42Å; S949-K954 VanDerWaalsContact O-CE 3.26Å; S949-K954 WeakPolarHBondContact O-CE 3.3Å; S949-K954 PolarHBondContact O-NZ 3.01Å; T951-K954 WeakPolarHBondContact O-CB 3.44Å; T951-K954 PolarHBondContact O-N 3.47Å; T951-K954 VanDerWaalsContact O-N 3.16Å; K954-C957 PolarHBondContact O-N 3.13Å; K954-K958 WeakPolarHBondContact O-CG 3.33Å; K954-K958 PolarHBondContact O-N 2.85Å
955	E	82.3	Confident	84.8	Confident	109 Å²	109	60 Å²	60	51%	0.509	32%	0.319	S	S	.	.	H	α-helix	trans	-75.6	-28.9	-175.2	-57.5	-52.2	126.1	0	0	112.8	L953 K958 K959	L953-E955 PolarHBondContact O-N 3.35Å; E955-K958 WeakPolarHBondContact OE1-CD 3.32Å; E955-K958 IonicContact OE1-NZ 2.66Å; E955-K958 PolarHBondContact OE1-NZ 3.1Å; E955-K958 WeakPolarHBondContact OE2-CD 3.45Å; E955-K958 IonicContact OE2-NZ 2.65Å; E955-K958 PolarHBondContact OE2-NZ 2.98Å; E955-K959 VanDerWaalsContact O-CB 3.29Å; E955-K959 WeakPolarHBondContact O-CB 3.43Å; E955-K959 PolarHBondContact O-N 3.49Å
956	E	84.3	Confident	84.8	Confident	74 Å²	74	65.7 Å²	65.7	35%	0.346	34%	0.344	S	S	.	.	H	α-helix	trans	-73.2	-39.5	172.8	179.5	52.3	-142.2	0	0	111.1	L953 K958 K959 Q960	L953-E956 PolarHBondContact O-N 3.34Å; E956-K958 PolarHBondContact O-N 2.63Å; E956-K959 WeakPolarHBondContact O-CB 3.45Å; E956-K959 PolarHBondContact O-N 3.34Å; E956-K959 WeakPolarHBondContact OE2-CD 3.48Å; E956-K959 IonicContact OE2-NZ 3.6Å; E956-K959 PolarHBondContact OE2-NZ 2.84Å; E956-Q960 WeakPolarHBondContact O-CG 3.5Å; E956-Q960 PolarHBondContact O-N 3.15Å; E956-Q960 WeakPolarHBondContact OE1-CG 3.43Å; E956-Q960 PolarHBondContact OE1-NE2 3.05Å
957	C	86.1	Confident	85	Confident	7 Å²	7	66.6 Å²	66.6	5%	0.047	35%	0.353	C	S	.	.	H	α-helix	trans	-65	-38.3	172.6	-63.2	0	0	0	0	112.5	A945 N948 L953 K954 Q960 M961	A945-C957 HydrophobicContact CB-CB 3.97Å; N948-C957 HydrophobicContact CB-CB 4.43Å; L953-C957 PolarHBondContact O-N 3.36Å; L953-C957 PolarHBondContact O-SG 3.14Å; K954-C957 PolarHBondContact O-N 3.13Å; C957-Q960 PolarHBondContact O-N 2.87Å; C957-M961 PolarHBondContact O-N 3.06Å
958	K	86.4	Confident	85.2	Confident	17 Å²	17	59.7 Å²	59.7	7%	0.074	32%	0.321	C	S	.	.	H	α-helix	trans	-58.6	-48.8	168.9	-81.7	165.4	154	-177.9	0	111.7	I883 Y891 K954 E955 E956 Q960 M961 L962	I883-K958 HydrophobicContact CD1-CB 3.87Å; I883-K958 HydrophobicContact CD1-CG 3.99Å; I883-K958 HydrophobicContact CG1-CB 4.5Å; I883-K958 HydrophobicContact CG1-CG 4.13Å; I883-K958 WeakPolarHBondContact O-CE 3.42Å; Y891-K958 WeakPolarHBondContact OH-CE 3.43Å; K954-K958 WeakPolarHBondContact O-CG 3.33Å; K954-K958 PolarHBondContact O-N 2.85Å; E955-K958 WeakPolarHBondContact OE1-CD 3.32Å; E955-K958 IonicContact OE1-NZ 2.66Å; E955-K958 PolarHBondContact OE1-NZ 3.1Å; E955-K958 WeakPolarHBondContact OE2-CD 3.45Å; E955-K958 IonicContact OE2-NZ 2.65Å; E955-K958 PolarHBondContact OE2-NZ 2.98Å; E956-K958 PolarHBondContact O-N 2.63Å; K958-Q960 VanDerWaalsContact C-N 3.3Å; K958-Q960 PolarHBondContact O-N 2.83Å; K958-M961 WeakPolarHBondContact O-CB 3.37Å; K958-M961 PolarHBondContact O-N 2.77Å; K958-M961 VanDerWaalsContact O-N 3.1Å; K958-L962 WeakPolarHBondContact O-CG 3.12Å; K958-L962 PolarHBondContact O-N 3.18Å
959	K	88.4	Confident	85.4	Confident	128 Å²	128	58.8 Å²	58.8	56%	0.557	32%	0.318	S	S	*	.	H	α-helix	trans	-59.4	-38.7	178.7	177.2	175.6	152	-141.2	0	112.1	E955 E956 L962 A963	E955-K959 VanDerWaalsContact O-CB 3.29Å; E955-K959 WeakPolarHBondContact O-CB 3.43Å; E955-K959 PolarHBondContact O-N 3.49Å; E956-K959 WeakPolarHBondContact O-CB 3.45Å; E956-K959 PolarHBondContact O-N 3.34Å; E956-K959 WeakPolarHBondContact OE2-CD 3.48Å; E956-K959 IonicContact OE2-NZ 3.6Å; E956-K959 PolarHBondContact OE2-NZ 2.84Å; K959-L962 PolarHBondContact O-N 2.95Å; K959-A963 PolarHBondContact O-N 3.24Å
960	Q	87.6	Confident	85.9	Confident	61 Å²	61	62.4 Å²	62.4	29%	0.285	33%	0.334	S	S	.	.	H	α-helix	trans	-67.8	-37.9	172.9	-69.5	174.4	24	0	0	112.9	K941 E956 C957 K958 L962 A963 A964	K941-Q960 HydrophobicContact CD-CB 4.3Å; K941-Q960 HydrophobicContact CG-CB 4.42Å; E956-Q960 WeakPolarHBondContact O-CG 3.5Å; E956-Q960 PolarHBondContact O-N 3.15Å; E956-Q960 WeakPolarHBondContact OE1-CG 3.43Å; E956-Q960 PolarHBondContact OE1-NE2 3.05Å; C957-Q960 PolarHBondContact O-N 2.87Å; K958-Q960 VanDerWaalsContact C-N 3.3Å; K958-Q960 PolarHBondContact O-N 2.83Å; Q960-L962 VanDerWaalsContact C-N 3.35Å; Q960-A963 PolarHBondContact O-N 3.38Å; Q960-A964 PolarHBondContact O-N 2.79Å; Q960-A964 VanDerWaalsContact O-N 3.08Å
961	M	91.2	Very high	86.4	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.9	-40.5	172.1	-174.7	176	63.1	0	0	111.8	L879 I883 Y891 V895 L938 K941 M942 C957 K958 A964 A965	L879-M961 HydrophobicContact CD1-CE 4.43Å; I883-M961 HydrophobicContact CD1-CE 3.42Å; I883-M961 VanDerWaalsContact CD1-CE 3.42Å; I883-M961 HydrophobicContact CG1-CE 4.01Å; Y891-M961 HydrophobicContact CD1-CE 4.47Å; Y891-M961 HydrophobicContact CD2-CE 3.87Å; Y891-M961 HydrophobicContact CD2-SD 4.41Å; Y891-M961 HydrophobicContact CE2-CE 4.19Å; Y891-M961 HydrophobicContact CG-CE 4.04Å; V895-M961 HydrophobicContact CG2-SD 4.47Å; L938-M961 HydrophobicContact CD1-CG 3.78Å; L938-M961 WeakPolarHBondContact CD1-O 3.33Å; K941-M961 HydrophobicContact CB-CB 4.04Å; M942-M961 WeakPolarHBondContact CA-SD 3.43Å; M942-M961 HydrophobicContact CB-CG 4.36Å; M942-M961 HydrophobicContact CB-SD 3.56Å; M942-M961 VanDerWaalsContact CB-SD 3.56Å; M942-M961 HydrophobicContact CG-SD 3.73Å; C957-M961 PolarHBondContact O-N 3.06Å; K958-M961 WeakPolarHBondContact O-CB 3.37Å; K958-M961 PolarHBondContact O-N 2.77Å; K958-M961 VanDerWaalsContact O-N 3.1Å; M961-A964 PolarHBondContact O-N 3.24Å; M961-A965 WeakPolarHBondContact O-CB 3.45Å; M961-A965 PolarHBondContact O-N 3.42Å
962	L	89.6	Confident	86.9	Confident	47 Å²	47	53.6 Å²	53.6	25%	0.246	29%	0.286	C	S	.	.	H	α-helix	trans	-67	-37.5	174.7	-67.8	179.1	0	0	0	113.1	L879 K880 I883 K958 K959 Q960 A965 H966	L879-L962 HydrophobicContact CG-CD2 4.46Å; K880-L962 HydrophobicContact CB-CD2 4.2Å; K880-L962 HydrophobicContact CG-CD2 4.49Å; I883-L962 HydrophobicContact CB-CD2 4.5Å; I883-L962 HydrophobicContact CD1-CD1 4.07Å; I883-L962 HydrophobicContact CD1-CD2 3.68Å; I883-L962 HydrophobicContact CD1-CG 3.62Å; I883-L962 HydrophobicContact CG2-CD1 4.03Å; I883-L962 HydrophobicContact CG2-CD2 4.12Å; I883-L962 HydrophobicContact CG2-CG 4.45Å; K958-L962 WeakPolarHBondContact O-CG 3.12Å; K958-L962 PolarHBondContact O-N 3.18Å; K959-L962 PolarHBondContact O-N 2.95Å; Q960-L962 VanDerWaalsContact C-N 3.35Å; L962-A965 PolarHBondContact O-N 3.32Å; L962-H966 WeakPolarHBondContact O-CB 3.45Å; L962-H966 PolarHBondContact O-N 2.87Å
963	A	90.4	Very high	87.5	Confident	57 Å²	57	50.8 Å²	50.8	47%	0.471	26%	0.258	S	S	.	.	H	α-helix	trans	-61	-49.3	174.9	0	0	0	0	0	110.9	K959 Q960 A965 H966 T967	K959-A963 PolarHBondContact O-N 3.24Å; Q960-A963 PolarHBondContact O-N 3.38Å; A963-A965 PolarHBondContact O-N 2.83Å; A963-H966 PolarHBondContact O-N 2.77Å; A963-H966 VanDerWaalsContact O-N 3.16Å; A963-T967 PolarHBondContact O-N 2.68Å; A963-T967 PolarHBondContact O-OG1 3.5Å
964	A	91	Very high	87.9	Confident	11 Å²	11	49.2 Å²	49.2	9%	0.091	25%	0.25	C	C	.	.	H	α-helix	trans	-60.7	-41.3	176.7	0	0	0	0	0	112.7	L938 K941 Q960 M961 H966 T967 L968	L938-A964 HydrophobicContact CB-CB 4.27Å; L938-A964 HydrophobicContact CD1-CB 4.31Å; K941-A964 HydrophobicContact CG-CB 4.03Å; Q960-A964 PolarHBondContact O-N 2.79Å; Q960-A964 VanDerWaalsContact O-N 3.08Å; M961-A964 PolarHBondContact O-N 3.24Å; A964-H966 VanDerWaalsContact C-N 3.34Å; A964-H966 PolarHBondContact O-N 3.38Å; A964-T967 PolarHBondContact O-N 3.47Å; A964-L968 PolarHBondContact O-N 3.17Å; A964-L968 VanDerWaalsContact O-N 3.1Å
965	A	89.7	Confident	88.2	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-64.3	-37.8	175.5	0	0	0	0	0	112.4	V876 L879 L938 M961 L962 A963 A969	V876-A965 HydrophobicContact CG1-CB 4.03Å; V876-A965 WeakPolarHBondContact CG1-O 3.46Å; L879-A965 HydrophobicContact CD2-CB 3.91Å; L938-A965 HydrophobicContact CD1-CB 3.85Å; L938-A965 HydrophobicContact CD2-CB 4.27Å; M961-A965 WeakPolarHBondContact O-CB 3.45Å; M961-A965 PolarHBondContact O-N 3.42Å; L962-A965 PolarHBondContact O-N 3.32Å; A963-A965 PolarHBondContact O-N 2.83Å; A965-A969 PolarHBondContact O-N 2.85Å
966	H	88.3	Confident	88.4	Confident	122 Å²	122	41 Å²	41	57%	0.565	21%	0.213	S	C	*	.	H	α-helix	trans	-69.6	-38	177.5	-171.3	-80.4	0	0	0	112.5	L962 A963 A964 A969 M970	L962-H966 WeakPolarHBondContact O-CB 3.45Å; L962-H966 PolarHBondContact O-N 2.87Å; A963-H966 PolarHBondContact O-N 2.77Å; A963-H966 VanDerWaalsContact O-N 3.16Å; A964-H966 VanDerWaalsContact C-N 3.34Å; A964-H966 PolarHBondContact O-N 3.38Å; H966-A969 PolarHBondContact O-N 2.8Å; H966-M970 PolarHBondContact O-N 2.8Å
967	T	90.4	Very high	88.4	Confident	61 Å²	61	39.1 Å²	39.1	37%	0.374	21%	0.205	S	C	.	.	H	α-helix	trans	-58.6	-54	171	-58.8	0	0	0	0	110.3	A963 A964 A969 M970 D971	A963-T967 PolarHBondContact O-N 2.68Å; A963-T967 PolarHBondContact O-OG1 3.5Å; A964-T967 PolarHBondContact O-N 3.47Å; T967-A969 PolarHBondContact O-N 3.14Å; T967-A969 VanDerWaalsContact O-N 3.17Å; T967-M970 WeakPolarHBondContact O-CA 3.27Å; T967-M970 WeakPolarHBondContact O-CB 3.27Å; T967-M970 PolarHBondContact O-N 3.36Å; T967-D971 WeakPolarHBondContact CG2-OD2 3.26Å; T967-D971 PolarHBondContact O-N 3.49Å
968	L	91.3	Very high	88.3	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-54.8	-38.8	178.2	179.8	67.9	0	0	0	112.9	V898 L902 L931 D934 M935 L938 A964 S972	V898-L968 HydrophobicContact CG1-CD2 3.5Å; L902-L968 HydrophobicContact CD1-CD1 4.44Å; L902-L968 HydrophobicContact CD2-CD1 3.99Å; L931-L968 HydrophobicContact CB-CD1 4.19Å; L931-L968 HydrophobicContact CD2-CD1 3.8Å; D934-L968 HydrophobicContact CB-CB 4.11Å; D934-L968 HydrophobicContact CB-CD1 3.8Å; M935-L968 HydrophobicContact SD-CD2 3.78Å; L938-L968 HydrophobicContact CD2-CD2 4.03Å; A964-L968 PolarHBondContact O-N 3.17Å; A964-L968 VanDerWaalsContact O-N 3.1Å; L968-S972 WeakPolarHBondContact O-CB 3.12Å; L968-S972 PolarHBondContact O-N 2.89Å; L968-S972 PolarHBondContact O-OG 3.45Å
969	A	89.1	Confident	88.2	Confident	13 Å²	13	38.7 Å²	38.7	11%	0.107	21%	0.205	C	C	.	.	H	α-helix	trans	-66.9	-44.1	174.7	0	0	0	0	0	112.4	V873 V876 A965 H966 T967 S972 K973	V873-A969 HydrophobicContact CG2-CB 4.32Å; V876-A969 HydrophobicContact CB-CB 4.16Å; V876-A969 HydrophobicContact CG1-CB 3.88Å; V876-A969 HydrophobicContact CG2-CB 4.24Å; A965-A969 PolarHBondContact O-N 2.85Å; H966-A969 PolarHBondContact O-N 2.8Å; T967-A969 PolarHBondContact O-N 3.14Å; T967-A969 VanDerWaalsContact O-N 3.17Å; A969-S972 PolarHBondContact O-N 2.78Å; A969-S972 PolarHBondContact O-OG 3.42Å; A969-K973 PolarHBondContact O-N 2.88Å
970	M	88.9	Confident	87.9	Confident	97 Å²	97	32.8 Å²	32.8	48%	0.478	18%	0.179	S	C	.	.	H	α-helix	trans	-61.9	-48.5	177.2	-174.2	66.6	-166.6	0	0	111.4	H966 T967 S972 K973 N974	H966-M970 PolarHBondContact O-N 2.8Å; T967-M970 WeakPolarHBondContact O-CA 3.27Å; T967-M970 WeakPolarHBondContact O-CB 3.27Å; T967-M970 PolarHBondContact O-N 3.36Å; M970-S972 VanDerWaalsContact C-N 3.29Å; M970-S972 PolarHBondContact O-N 3.4Å; M970-K973 WeakPolarHBondContact O-CA 3.33Å; M970-K973 VanDerWaalsContact O-CB 3.3Å; M970-K973 WeakPolarHBondContact O-CB 3.42Å; M970-K973 PolarHBondContact O-N 3.11Å; M970-N974 PolarHBondContact O-N 2.94Å
971	D	88	Confident	87.5	Confident	31 Å²	31	34.5 Å²	34.5	17%	0.166	19%	0.187	C	C	.	.	H	α-helix	trans	-71.5	-24.9	-178	-72.1	-63.7	0	0	0	112.8	L930 L931 T967 K973 N974 M975	L930-D971 HydrophobicContact CD2-CB 4.4Å; L931-D971 HydrophobicContact CD2-CB 3.67Å; T967-D971 WeakPolarHBondContact CG2-OD2 3.26Å; T967-D971 PolarHBondContact O-N 3.49Å; D971-K973 VanDerWaalsContact C-N 3.3Å; D971-K973 PolarHBondContact O-N 2.95Å; D971-N974 WeakPolarHBondContact O-CB 3.33Å; D971-N974 PolarHBondContact O-N 3.24Å; D971-N974 PolarHBondContact OD1-ND2 2.97Å; D971-M975 PolarHBondContact O-N 3.48Å
972	S	89.2	Confident	86.9	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-67.6	-31	169.5	73.7	0	0	0	0	112.6	V869 L968 A969 M970 L976	V869-S972 WeakPolarHBondContact CG2-O 3.49Å; L968-S972 WeakPolarHBondContact O-CB 3.12Å; L968-S972 PolarHBondContact O-N 2.89Å; L968-S972 PolarHBondContact O-OG 3.45Å; A969-S972 PolarHBondContact O-N 2.78Å; A969-S972 PolarHBondContact O-OG 3.42Å; M970-S972 VanDerWaalsContact C-N 3.29Å; M970-S972 PolarHBondContact O-N 3.4Å; S972-L976 PolarHBondContact O-N 3.3Å
973	K	87.3	Confident	86.5	Confident	69 Å²	69	33.7 Å²	33.7	30%	0.3	18%	0.181	S	C	.	.	H	α-helix	trans	-69.8	-43.1	168.1	-169.4	-167.8	176.5	-74.5	0	111	A969 M970 D971 M975 L976 D977	A969-K973 PolarHBondContact O-N 2.88Å; M970-K973 WeakPolarHBondContact O-CA 3.33Å; M970-K973 VanDerWaalsContact O-CB 3.3Å; M970-K973 WeakPolarHBondContact O-CB 3.42Å; M970-K973 PolarHBondContact O-N 3.11Å; D971-K973 VanDerWaalsContact C-N 3.3Å; D971-K973 PolarHBondContact O-N 2.95Å; K973-M975 PolarHBondContact O-N 3.22Å; K973-L976 WeakPolarHBondContact O-CB 3.4Å; K973-L976 PolarHBondContact O-N 2.82Å; K973-D977 IonicContact NZ-OD1 2.73Å; K973-D977 IonicContact NZ-OD2 3.79Å; K973-D977 PolarHBondContact NZ-OD2 3.36Å; K973-D977 PolarHBondContact O-N 3.43Å
974	N	85.8	Confident	85.8	Confident	59 Å²	59	34.1 Å²	34.1	32%	0.316	18%	0.178	S	C	.	.	H	α-helix	trans	-58	-35.4	175.7	-61.7	-24.1	0	0	0	111.5	M970 D971 A978	M970-N974 PolarHBondContact O-N 2.94Å; D971-N974 WeakPolarHBondContact O-CB 3.33Å; D971-N974 PolarHBondContact O-N 3.24Å; D971-N974 PolarHBondContact OD1-ND2 2.97Å; N974-A978 WeakPolarHBondContact O-CB 3.45Å; N974-A978 PolarHBondContact O-N 3.3Å
975	M	86.6	Confident	84.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.5	-40.2	173	-168.5	170.1	61.1	0	0	113.1	L905 V909 T927 Q928 L931 D971 K973 A978 V979	L905-M975 HydrophobicContact CD1-CE 3.91Å; L905-M975 HydrophobicContact CD2-CE 3.62Å; L905-M975 HydrophobicContact CG-CE 3.56Å; V909-M975 HydrophobicContact CG2-CE 3.92Å; V909-M975 HydrophobicContact CG2-SD 4.21Å; T927-M975 HydrophobicContact CG2-CB 3.67Å; T927-M975 HydrophobicContact CG2-CG 4.07Å; Q928-M975 HydrophobicContact CG-SD 3.88Å; L931-M975 HydrophobicContact CD1-CB 4.23Å; L931-M975 HydrophobicContact CD1-CE 3.4Å; L931-M975 VanDerWaalsContact CD1-CE 3.4Å; L931-M975 HydrophobicContact CD1-SD 3.62Å; D971-M975 PolarHBondContact O-N 3.48Å; K973-M975 PolarHBondContact O-N 3.22Å; M975-A978 PolarHBondContact O-N 3.05Å; M975-V979 WeakPolarHBondContact O-CB 3.49Å; M975-V979 VanDerWaalsContact O-CG2 3.3Å; M975-V979 WeakPolarHBondContact O-CG2 3.31Å; M975-V979 PolarHBondContact O-N 2.58Å
976	L	86.9	Confident	84	Confident	7 Å²	7	41.8 Å²	41.8	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-49.4	173.5	173.7	67	0	0	0	111.2	V865 Y866 V869 S972 K973 A978 V979 D980	V865-L976 HydrophobicContact CG1-CD1 4.12Å; Y866-L976 HydrophobicContact CD2-CD2 3.82Å; V869-L976 HydrophobicContact CG2-CB 4.08Å; S972-L976 PolarHBondContact O-N 3.3Å; K973-L976 WeakPolarHBondContact O-CB 3.4Å; K973-L976 PolarHBondContact O-N 2.82Å; L976-A978 PolarHBondContact O-N 3.43Å; L976-V979 PolarHBondContact O-N 3.2Å; L976-V979 VanDerWaalsContact O-N 3.14Å; L976-D980 WeakPolarHBondContact CD1-OD2 3.48Å; L976-D980 WeakPolarHBondContact O-CB 3.33Å; L976-D980 PolarHBondContact O-N 3.46Å
977	D	84.1	Confident	83.1	Confident	34 Å²	34	43.3 Å²	43.3	18%	0.182	22%	0.224	C	C	.	.	H	α-helix	trans	-61.6	-30.9	179.1	-67.6	-45.1	0	0	0	111.6	K973 Q981	K973-D977 IonicContact NZ-OD1 2.73Å; K973-D977 IonicContact NZ-OD2 3.79Å; K973-D977 PolarHBondContact NZ-OD2 3.36Å; K973-D977 PolarHBondContact O-N 3.43Å; D977-Q981 VanDerWaalsContact O-CG 3.29Å; D977-Q981 WeakPolarHBondContact O-CG 3.48Å; D977-Q981 PolarHBondContact O-N 3.06Å; D977-Q981 VanDerWaalsContact O-N 3.15Å; D977-Q981 PolarHBondContact O-NE2 2.67Å
978	A	83.8	Confident	81.9	Confident	14 Å²	14	44.5 Å²	44.5	12%	0.116	23%	0.227	C	C	.	.	H	α-helix	trans	-73.1	-44	172.1	0	0	0	0	0	113.2	N974 M975 L976 D980 Q981 A982	N974-A978 WeakPolarHBondContact O-CB 3.45Å; N974-A978 PolarHBondContact O-N 3.3Å; M975-A978 PolarHBondContact O-N 3.05Å; L976-A978 PolarHBondContact O-N 3.43Å; A978-D980 VanDerWaalsContact C-N 3.31Å; A978-D980 PolarHBondContact O-N 3.45Å; A978-Q981 PolarHBondContact O-N 3.24Å; A978-A982 WeakPolarHBondContact O-CB 2.92Å; A978-A982 PolarHBondContact O-N 2.79Å
979	V	84.4	Confident	80.7	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-37.7	175.4	166.5	0	0	0	0	111.3	V865 V909 I924 M975 L976 A982 R983	V865-V979 HydrophobicContact CG1-CG1 4.36Å; V909-V979 HydrophobicContact CG1-CG2 4.14Å; V909-V979 HydrophobicContact CG2-CG2 4.31Å; I924-V979 HydrophobicContact CD1-CG2 4.01Å; I924-V979 HydrophobicContact CG1-CG2 4.26Å; I924-V979 HydrophobicContact CG2-CG2 4.19Å; M975-V979 WeakPolarHBondContact O-CB 3.49Å; M975-V979 VanDerWaalsContact O-CG2 3.3Å; M975-V979 WeakPolarHBondContact O-CG2 3.31Å; M975-V979 PolarHBondContact O-N 2.58Å; L976-V979 PolarHBondContact O-N 3.2Å; L976-V979 VanDerWaalsContact O-N 3.14Å; V979-A982 WeakPolarHBondContact O-CB 3.34Å; V979-A982 PolarHBondContact O-N 2.85Å; V979-R983 HydrophobicContact CG1-CG 4.49Å; V979-R983 WeakPolarHBondContact O-CD 3.43Å; V979-R983 VanDerWaalsContact O-CG 3.26Å; V979-R983 WeakPolarHBondContact O-CG 3.43Å; V979-R983 PolarHBondContact O-N 2.97Å
980	D	82.8	Confident	79.4	Confident	4 Å²	4	50.8 Å²	50.8	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-71	-41.7	176.9	-71	-31.3	0	0	0	112.5	T855 I858 R860 L976 A978 A982 R983 V984	T855-D980 HydrophobicContact CG2-CB 4.09Å; I858-D980 HydrophobicContact CD1-CB 3.94Å; R860-D980 IonicContact CZ-OD1 3.18Å; R860-D980 IonicContact CZ-OD2 3.82Å; R860-D980 VanDerWaalsContact NH1-CG 3.26Å; R860-D980 IonicContact NH1-OD1 2.64Å; R860-D980 PolarHBondContact NH1-OD1 2.94Å; R860-D980 IonicContact NH1-OD2 3.51Å; R860-D980 PolarHBondContact NH1-OD2 2.78Å; R860-D980 IonicContact NH2-OD1 2.72Å; R860-D980 IonicContact NH2-OD2 3.74Å; R860-D980 PolarHBondContact NH2-OD2 2.88Å; L976-D980 WeakPolarHBondContact CD1-OD2 3.48Å; L976-D980 WeakPolarHBondContact O-CB 3.33Å; L976-D980 PolarHBondContact O-N 3.46Å; A978-D980 VanDerWaalsContact C-N 3.31Å; A978-D980 PolarHBondContact O-N 3.45Å; D980-A982 PolarHBondContact O-N 2.91Å; D980-R983 PolarHBondContact O-N 2.82Å; D980-R983 IonicContact OD1-CZ 3.55Å; D980-R983 IonicContact OD1-NH1 3.51Å; D980-R983 PolarHBondContact OD1-NH1 3.41Å; D980-V984 WeakPolarHBondContact O-CG2 3.46Å; D980-V984 PolarHBondContact O-N 2.76Å
981	Q	78.9	Confident	78.1	Confident	98 Å²	98	51.2 Å²	51.2	46%	0.458	27%	0.267	S	S	.	.	H	α-helix	trans	-58.8	-37	168.9	-76.8	177.6	69.3	0	0	111.9	D977 A978 R985	D977-Q981 VanDerWaalsContact O-CG 3.29Å; D977-Q981 WeakPolarHBondContact O-CG 3.48Å; D977-Q981 PolarHBondContact O-N 3.06Å; D977-Q981 VanDerWaalsContact O-N 3.15Å; D977-Q981 PolarHBondContact O-NE2 2.67Å; A978-Q981 PolarHBondContact O-N 3.24Å; Q981-R985 WeakPolarHBondContact O-CB 3.46Å; Q981-R985 WeakPolarHBondContact O-CD 3.23Å; Q981-R985 WeakPolarHBondContact O-CG 3.39Å; Q981-R985 PolarHBondContact O-N 3.08Å
982	A	78.7	Confident	76.5	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.8	-45.4	174.7	0	0	0	0	0	112.3	L916 I920 I924 A978 V979 D980 V984 R985 A986	L916-A982 HydrophobicContact CD1-CB 3.74Å; L916-A982 HydrophobicContact CD2-CB 3.88Å; L916-A982 HydrophobicContact CG-CB 4.34Å; I920-A982 HydrophobicContact CB-CB 4.42Å; I920-A982 HydrophobicContact CD1-CB 4.47Å; I920-A982 HydrophobicContact CG2-CB 3.54Å; I924-A982 HydrophobicContact CD1-CB 3.92Å; A978-A982 WeakPolarHBondContact O-CB 2.92Å; A978-A982 PolarHBondContact O-N 2.79Å; V979-A982 WeakPolarHBondContact O-CB 3.34Å; V979-A982 PolarHBondContact O-N 2.85Å; D980-A982 PolarHBondContact O-N 2.91Å; A982-V984 PolarHBondContact O-N 2.83Å; A982-R985 PolarHBondContact O-N 2.89Å; A982-A986 WeakPolarHBondContact O-CB 3.02Å; A982-A986 PolarHBondContact O-N 3.05Å
983	R	81.1	Confident	74.7	Confident	29 Å²	29	56.2 Å²	56.2	11%	0.109	31%	0.313	C	S	.	.	H	α-helix	trans	-60.9	-41	176.4	-72	158.1	167.3	-178.8	-10.1	112.4	D863 L916 V979 D980 N987 I988 A989	D863-R983 VanDerWaalsContact CG-NH1 3.26Å; D863-R983 IonicContact OD1-CZ 3.84Å; D863-R983 IonicContact OD1-NH1 2.78Å; D863-R983 PolarHBondContact OD1-NH1 2.94Å; D863-R983 IonicContact OD1-NH2 3.76Å; D863-R983 PolarHBondContact OD1-NH2 2.89Å; D863-R983 IonicContact OD2-CZ 2.75Å; D863-R983 IonicContact OD2-NH1 2.74Å; D863-R983 PolarHBondContact OD2-NH1 2.86Å; D863-R983 IonicContact OD2-NH2 3.07Å; L916-R983 HydrophobicContact CD2-CG 4.47Å; V979-R983 HydrophobicContact CG1-CG 4.49Å; V979-R983 WeakPolarHBondContact O-CD 3.43Å; V979-R983 VanDerWaalsContact O-CG 3.26Å; V979-R983 WeakPolarHBondContact O-CG 3.43Å; V979-R983 PolarHBondContact O-N 2.97Å; D980-R983 PolarHBondContact O-N 2.82Å; D980-R983 IonicContact OD1-CZ 3.55Å; D980-R983 IonicContact OD1-NH1 3.51Å; D980-R983 PolarHBondContact OD1-NH1 3.41Å; R983-N987 PolarHBondContact O-N 3.46Å; R983-I988 PolarHBondContact O-N 3.39Å; R983-A989 HydrophobicContact CB-CB 4.34Å; R983-A989 PolarHBondContact O-N 2.88Å; R983-A989 VanDerWaalsContact O-N 3.15Å
984	V	76.1	Confident	72.8	Confident	66 Å²	66	59.1 Å²	59.1	40%	0.4	34%	0.339	S	S	.	.	H	α-helix	trans	-67.2	-49.8	175.4	171.6	0	0	0	0	110.8	A856 I858 D980 A982 A986 N987 A989	A856-V984 HydrophobicContact CB-CG2 4.06Å; I858-V984 HydrophobicContact CD1-CG2 4.05Å; D980-V984 WeakPolarHBondContact O-CG2 3.46Å; D980-V984 PolarHBondContact O-N 2.76Å; A982-V984 PolarHBondContact O-N 2.83Å; V984-A986 PolarHBondContact O-N 3.44Å; V984-N987 PolarHBondContact O-N 2.63Å; V984-A989 HydrophobicContact CG2-CB 3.9Å
985	R	72.2	Confident	70.7	Confident	139 Å²	139	69.2 Å²	69.2	53%	0.525	38%	0.384	S	S	.	.	H	α-helix	trans	-61.7	-30.1	177.2	-70.3	169.8	-167.4	168.9	8.9	112.9	I920 E923 Q981 A982 N987	I920-R985 HydrophobicContact CD1-CB 4.08Å; E923-R985 IonicContact OE2-NH1 2.76Å; Q981-R985 WeakPolarHBondContact O-CB 3.46Å; Q981-R985 WeakPolarHBondContact O-CD 3.23Å; Q981-R985 WeakPolarHBondContact O-CG 3.39Å; Q981-R985 PolarHBondContact O-N 3.08Å; A982-R985 PolarHBondContact O-N 2.89Å; R985-N987 VanDerWaalsContact C-N 3.34Å
986	A	69.3	Low	69.9	Low	35 Å²	35	72.7 Å²	72.7	29%	0.289	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-5.7	175.5	0	0	0	0	0	114.1	L916 A982 V984 I988	L916-A986 HydrophobicContact CD2-CB 4.3Å; A982-A986 WeakPolarHBondContact O-CB 3.02Å; A982-A986 PolarHBondContact O-N 3.05Å; V984-A986 PolarHBondContact O-N 3.44Å; A986-I988 HydrophobicContact CB-CB 4.43Å; A986-I988 HydrophobicContact CB-CD1 3.75Å; A986-I988 HydrophobicContact CB-CG1 3.94Å; A986-I988 PolarHBondContact O-N 3.36Å
987	N	69.4	Low	69	Low	153 Å²	153	76.1 Å²	76.1	82%	0.818	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	28.9	-174	-142.2	40.5	0	0	0	113.8	R983 V984 R985	R983-N987 PolarHBondContact O-N 3.46Å; V984-N987 PolarHBondContact O-N 2.63Å; R985-N987 VanDerWaalsContact C-N 3.34Å
988	I	67	Low	68.1	Low	86 Å²	86	78.4 Å²	78.4	44%	0.441	44%	0.436	S	S	.	.			trans	-98.5	-17.3	179.2	-64.9	172.8	0	0	0	111.2	S915 R983 A986 K990	S915-I988 VanDerWaalsContact O-CD1 3.25Å; S915-I988 WeakPolarHBondContact O-CD1 3.4Å; R983-I988 PolarHBondContact O-N 3.39Å; A986-I988 HydrophobicContact CB-CB 4.43Å; A986-I988 HydrophobicContact CB-CD1 3.75Å; A986-I988 HydrophobicContact CB-CG1 3.94Å; A986-I988 PolarHBondContact O-N 3.36Å; I988-K990 PolarHBondContact O-N 2.73Å
989	A	64.1	Low	67.2	Low	29 Å²	29	82.2 Å²	82.2	24%	0.24	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-57.1	120.1	173.8	0	0	0	0	0	111.8	I858 R983 V984 P991	I858-A989 HydrophobicContact CD1-CB 4.42Å; I858-A989 HydrophobicContact CG1-CB 4.12Å; R983-A989 HydrophobicContact CB-CB 4.34Å; R983-A989 PolarHBondContact O-N 2.88Å; R983-A989 VanDerWaalsContact O-N 3.15Å; V984-A989 HydrophobicContact CG2-CB 3.9Å; A989-P991 WeakPolarHBondContact O-CD 3.33Å
990	K	63.4	Low	66.2	Low	116 Å²	116	87.4 Å²	87.4	50%	0.504	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-70.4	120.1	164.4	-69.9	176.8	179.6	172.7	0	108.4	I858 D859 I988	I858-K990 VanDerWaalsContact CA-O 3.31Å; I858-K990 WeakPolarHBondContact CA-O 3.33Å; D859-K990 HydrophobicContact CB-CB 4.04Å; D859-K990 HydrophobicContact CB-CD 4.27Å; D859-K990 PolarHBondContact N-O 3.14Å; D859-K990 VanDerWaalsContact N-O 3.11Å; D859-K990 WeakPolarHBondContact OD2-CD 3.38Å; D859-K990 IonicContact OD2-NZ 2.71Å; D859-K990 PolarHBondContact OD2-NZ 3.39Å; I988-K990 PolarHBondContact O-N 2.73Å
991	P	61.2	Low	65	Low	107 Å²	107	92.9 Å²	92.9	70%	0.695	51%	0.514	S	S	*	.	B	Isolated β-bridge	trans	-63.7	148.7	167.2	29.3	-34.1	0	0	0	109.7	E857 A989	E857-P991 CarbonylContact O-C 3.48Å; E857-P991 WeakPolarHBondContact O-CA 3.36Å; A989-P991 WeakPolarHBondContact O-CD 3.33Å
992	A	55.1	Low	64	Low	49 Å²	49	92.6 Å²	92.6	41%	0.405	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-57.3	145.3	170.1	0	0	0	0	0	110.7	E857	E857-A992 HydrophobicContact CB-CB 4.26Å; E857-A992 PolarHBondContact O-N 2.9Å
993	A	51.3	Low	62.9	Low	87 Å²	87	99.7 Å²	99.7	72%	0.719	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-70.7	138	168.7	0	0	0	0	0	109
994	P	46.8	Very low	61.4	Low	130 Å²	130	105.6 Å²	105.6	84%	0.844	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-67.6	136.1	174	28.7	-33.8	0	0	0	110.5
995	E	41.1	Very low	60.1	Low	270 Å²	270	109.2 Å²	109.2	100%	1.262	61%	0.613	S	S	*	*			trans	-79.1	0	167.4	-63.4	-168.6	137.6	0	0	111.8

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