A0A5K4F6A7_SCHMA Loading...

Calcium-transporting ATPase

Catalyzes the hydrolysis of ATP coupled with the transport of calcium.

AlphaFold DB (A0A5K4F7M1), UniProt , Accession A0A5K4F6A7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,183 aa.

						>A0A5K4F6A7_SCHMA|A0A5K4F6A7
MRDANANERTALTTGSGGADSFEISPKELQKLMDCRKLEAVKYLNEKYGGVVGLCRLLKTSPQDGLHEEDFSKRINTFGANVIPQQRAKTFLRLMWEALQDLTLIVLIVAAFISLALSLYIKYGQAPTFDESEGQAGWIEGLAILIAVFVVVFVVALNDWQKERQFRGLQNKIESEHTFFVIRKGDTKQIPVKEIVVGDVCQVKYGDLLPADGIVIQCNDLKIDESSLTGESDQVRKNETKDPILLSGTHVMEGSGKMVVTAVGPNSQAGIIFALLSSGSHDEHGGGGQEKKKEKSKTKKNGKKGNKNSDKVPSANSDAYQMKSKNKTKSESDAEQSSKPKKKPRRKEQSVLQAKLTKLAIQIGYVGTCVAIATVLILIIKFSVHTFAQNKEPWQTGKHLKQIVNYIITGVTVLVVAVPEGLPLAVTLSLAYSVKRMMKDNNLVRHLDACETMGNATAICSDKTGTLTTNRMTAVQCFIGNKHYKRIPTASELPESIINLIVMNISINSGYTSKLLPPDNPNALPKQVGNKTECALLGFVKSIGRNYEDIRTQWSEERLYKVYTFNSIRKSMSTVIKESDNPMSFLLFTKGASEMVVKCCSWMMDEQNRPRPFSLQDQERLTEAVIEPMAGEGLRTIGIAYKKITIATNSKSPNDMIVQSEPNWDDEEHLLEGLTLLGIIGIEDPVRPEVPAAIRQCQKAGITVRMVTGDNVNTARSIAMKCGIIQPGENFLVIEGKEFNRRIRDKATGKVRQDLFDQVWINLRVLARSSPQDKYTLVSGIINSRAAPSRQVVAVTGDGTNDGPALKRADVGFAMGIAGTDVAKEASDIILTDDNFSSIVKAVMWGRNVYDSITKFLQFQLTVNCVAIIVAFAGACFLDDSPLKAIQMLWVNLIMDTLASLALATEQPSVELLDRAPYGRTQPLISRQMAKNIIGHSLYQLGVIFFLLFYVDLIMEVDNVSGITIHEPTQHYTIIFNALVLMTLFNEFNARKIHGQRNVFSGLHRNPLFIIIWFVTFLLQALIIQFGSYAFSTKALELDQWAWCLFFGVGELVWGQVVNTVPNAIIPKCKCRKRKRPTVVGVNENAAGEYIKDAIEVGEVDEEEEDEISPLSLGGANMGIGGRILWIRGVNRIQTQMKVVDAFRMGLGPHIDLEHRRSIGSLAFRQRQNSSIEYVDADAPDES
					

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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	37	Very low	34.4	Very low	209 Å²	209	130.2 Å²	130.2	100%	1.03	68%	0.681	S	S	*	*				0	-36.8	0	-118.8	-177.1	-176.4	0	0	112.2	D3	M1-D3 PolarHBondContact N-OD2 2.79Å; M1-D3 PolarHBondContact O-N 2.92Å
2	R	30.5	Very low	34.9	Very low	194 Å²	194	130.1 Å²	130.1	73%	0.732	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-61.8	-27.5	172.4	-78	-176.9	164	154.2	1.5	113.1	E557	R2-E557 IonicContact CZ-OE1 2.63Å; R2-E557 IonicContact NH2-OE1 3.97Å; R2-E557 PolarHBondContact NH2-OE1 3.12Å; R2-E557 IonicContact NH2-OE2 2.65Å
3	D	34.1	Very low	34.9	Very low	125 Å²	125	129.4 Å²	129.4	67%	0.668	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-78.5	-22.6	-169.6	-33.7	-83.3	0	0	0	113.6	M1 N5	M1-D3 PolarHBondContact N-OD2 2.79Å; M1-D3 PolarHBondContact O-N 2.92Å; D3-N5 VanDerWaalsContact C-N 3.34Å
4	A	35.2	Very low	34.4	Very low	71 Å²	71	128.7 Å²	128.7	59%	0.587	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-67.7	-34.9	177.4	0	0	0	0	0	112.1	A6	A4-A6 VanDerWaalsContact C-N 3.25Å; A4-A6 PolarHBondContact O-N 2.87Å
5	N	37.1	Very low	34.2	Very low	114 Å²	114	124.9 Å²	124.9	61%	0.61	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-80.1	-3.7	-175.5	-64.5	17.5	0	0	0	113.3	D3	D3-N5 VanDerWaalsContact C-N 3.34Å
6	A	34.3	Very low	33.8	Very low	54 Å²	54	125.6 Å²	125.6	45%	0.446	71%	0.708	S	S	.	*	G	3₁₀ helix	trans	-73.3	-39.6	177.4	0	0	0	0	0	112	A4 E8 R9	A4-A6 VanDerWaalsContact C-N 3.25Å; A4-A6 PolarHBondContact O-N 2.87Å; A6-E8 PolarHBondContact O-N 3.15Å; A6-R9 PolarHBondContact O-N 3.29Å
7	N	33.8	Very low	33.5	Very low	134 Å²	134	122 Å²	122	72%	0.717	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-75.3	-22.5	-171.8	-80	-6.6	0	0	0	114.7	R9	N7-R9 VanDerWaalsContact C-N 3.3Å; N7-R9 PolarHBondContact O-N 2.93Å
8	E	36.4	Very low	33.5	Very low	147 Å²	147	118.7 Å²	118.7	69%	0.687	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-71	-26.2	174.6	-70.4	-163	119.5	0	0	112.8	A6 T10 A11	A6-E8 PolarHBondContact O-N 3.15Å; E8-T10 PolarHBondContact O-N 3.29Å; E8-A11 PolarHBondContact O-N 3.42Å
9	R	34.2	Very low	33.8	Very low	210 Å²	210	117.8 Å²	117.8	79%	0.792	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-67.9	-21.5	-176.9	-70.2	-177.9	164.4	-171.7	-7.7	113.8	A6 N7	A6-R9 PolarHBondContact O-N 3.29Å; N7-R9 VanDerWaalsContact C-N 3.3Å; N7-R9 PolarHBondContact O-N 2.93Å
10	T	33.3	Very low	34.7	Very low	101 Å²	101	118 Å²	118	62%	0.62	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-102.7	-9.1	-175	-22.6	0	0	0	0	113.4	E8	E8-T10 PolarHBondContact O-N 3.29Å
11	A	32.9	Very low	36	Very low	73 Å²	73	115.8 Å²	115.8	60%	0.603	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-6	-173.1	0	0	0	0	0	114.6	E8	E8-A11 PolarHBondContact O-N 3.42Å
12	L	40	Very low	37.8	Very low	129 Å²	129	107.3 Å²	107.3	68%	0.675	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-1.9	-172.2	-76.7	164.8	0	0	0	115
13	T	34.7	Very low	40	Very low	121 Å²	121	105.3 Å²	105.3	74%	0.742	65%	0.653	S	S	*	*	S	Bend	trans	-121.1	4.4	-172.1	51.3	0	0	0	0	115.1
14	T	27.8	Very low	42.3	Very low	120 Å²	120	99.6 Å²	99.6	74%	0.736	62%	0.623	S	S	*	*			trans	-125	70.9	-174	57	0	0	0	0	112.9
15	G	31.5	Very low	44.7	Very low	71 Å²	71	98.5 Å²	98.5	73%	0.732	61%	0.611	S	S	*	*			trans	-133.2	97.5	170.5	0	0	0	0	0	110.8	G17	G15-G17 PolarHBondContact O-N 2.92Å; G15-G17 VanDerWaalsContact O-N 3.15Å
16	S	28.4	Very low	46.9	Very low	136 Å²	136	94.7 Å²	94.7	95%	0.951	59%	0.592	S	S	*	*			trans	-85.6	83.8	-173.6	58.7	0	0	0	0	112.6
17	G	28.3	Very low	49.3	Very low	65 Å²	65	99.6 Å²	99.6	67%	0.67	60%	0.603	S	S	*	*	S	Bend	trans	-171.6	129.5	170	0	0	0	0	0	112.6	G15	G15-G17 PolarHBondContact O-N 2.92Å; G15-G17 VanDerWaalsContact O-N 3.15Å
18	G	33.1	Very low	51.8	Low	63 Å²	63	96.1 Å²	96.1	65%	0.649	58%	0.583	S	S	*	*			trans	64.4	51.8	170.9	0	0	0	0	0	115.7	D20	G18-D20 PolarHBondContact O-N 3.47Å
19	A	39.9	Very low	54.2	Low	101 Å²	101	89.1 Å²	89.1	84%	0.835	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-3.1	-161.3	0	0	0	0	0	118.9
20	D	51.1	Low	56.6	Low	121 Å²	121	80.9 Å²	80.9	65%	0.647	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.1	8.6	-168.9	-124.9	-25	0	0	0	116.6	G18 K73	G18-D20 PolarHBondContact O-N 3.47Å; D20-K73 IonicContact OD1-NZ 2.64Å; D20-K73 PolarHBondContact OD1-NZ 3.25Å; D20-K73 IonicContact OD2-NZ 3.44Å
21	S	62.9	Low	59.1	Low	73 Å²	73	82.1 Å²	82.1	51%	0.51	52%	0.518	S	S	.	.			trans	-110.8	153.2	173.5	52.5	0	0	0	0	113	K59	S21-K59 PolarHBondContact O-NZ 3.48Å
22	F	73.6	Confident	61.6	Low	30 Å²	30	78.7 Å²	78.7	13%	0.132	49%	0.489	C	S	.	.			trans	-84.6	139.2	162.9	-62.6	-84.8	0	0	0	109	I24 K59 D70 K73 R74 T77 F78	F22-I24 PolarHBondContact O-N 3.34Å; F22-K59 HydrophobicContact CD1-CD 4.44Å; F22-K59 HydrophobicContact CE1-CD 4.39Å; F22-D70 WeakPolarHBondContact CZ-OD2 3.24Å; F22-K73 HydrophobicContact CE2-CB 4.36Å; F22-R74 HydrophobicContact CE1-CG 4.34Å; F22-R74 HydrophobicContact CE2-CG 4.42Å; F22-R74 HydrophobicContact CZ-CG 3.72Å; F22-T77 HydrophobicContact CD2-CG2 3.93Å; F22-F78 HydrophobicContact CB-CE2 4.38Å; F22-F78 HydrophobicContact CB-CZ 3.88Å; F22-F78 HydrophobicContact CD1-CE2 4.02Å; F22-F78 HydrophobicContact CD1-CZ 4.18Å; F22-F78 AromaticContact CD2-CE2 3.78Å; F22-F78 HydrophobicContact CD2-CE2 3.78Å; F22-F78 HydrophobicContact CD2-CZ 4.13Å; F22-F78 HydrophobicContact CE1-CE2 4.25Å; F22-F78 HydrophobicContact CE2-CE2 4.02Å; F22-F78 AromaticContact CG-CE2 3.79Å; F22-F78 HydrophobicContact CG-CE2 3.79Å; F22-F78 AromaticContact CG-CZ 3.8Å; F22-F78 HydrophobicContact CG-CZ 3.8Å; F22-F78 HydrophobicContact CZ-CE2 4.26Å
23	E	77.6	Confident	63.8	Low	152 Å²	152	72.5 Å²	72.5	71%	0.71	46%	0.457	S	S	*	.	S	Bend	trans	-79.5	-2.6	-176	-67.2	175.2	-168.9	0	0	113.6	L57	E23-L57 HydrophobicContact CB-CD2 3.85Å; E23-L57 WeakPolarHBondContact OE2-CD2 3.18Å
24	I	82.3	Confident	66.1	Low	6 Å²	6	71.2 Å²	71.2	3%	0.031	45%	0.445	C	S	.	.	S	Bend	trans	-129.4	133.1	-174.5	-172	167.5	0	0	0	110.9	F22 E28 L29 Y48 L54 L57 L58	F22-I24 PolarHBondContact O-N 3.34Å; I24-E28 HydrophobicContact CG1-CB 4.4Å; I24-L29 HydrophobicContact CD1-CD2 3.69Å; I24-L29 HydrophobicContact CD1-CG 3.94Å; I24-L29 HydrophobicContact CG1-CD2 4.4Å; I24-L29 HydrophobicContact CG1-CG 4.12Å; I24-Y48 HydrophobicContact CD1-CD1 4.1Å; I24-Y48 HydrophobicContact CD1-CE1 3.49Å; I24-Y48 VanDerWaalsContact CD1-CE1 3.49Å; I24-Y48 HydrophobicContact CG1-CE1 4.3Å; I24-L54 HydrophobicContact CD1-CD1 3.87Å; I24-L57 HydrophobicContact CG2-CB 4.33Å; I24-L58 HydrophobicContact CG2-CD2 3.78Å
25	S	85.2	Confident	68.8	Low	47 Å²	47	66.2 Å²	66.2	33%	0.329	42%	0.415	S	S	.	.			trans	-93.6	154.4	-177.2	74.1	0	0	0	0	113.4	K27 E28 L29	S25-K27 PolarHBondContact O-N 3.45Å; S25-E28 VanDerWaalsContact CB-OE2 3.31Å; S25-E28 WeakPolarHBondContact CB-OE2 3.18Å; S25-E28 PolarHBondContact N-OE2 3.16Å; S25-E28 PolarHBondContact O-N 2.89Å; S25-E28 WeakPolarHBondContact OG-CG 3.34Å; S25-E28 PolarHBondContact OG-OE2 3.09Å; S25-L29 PolarHBondContact O-N 3.33Å
26	P	83.7	Confident	71.1	Confident	34 Å²	34	66.4 Å²	66.4	22%	0.221	39%	0.394	C	S	.	.	H	α-helix	trans	-56.8	-33.8	178.1	-24.2	32.6	0	0	0	113.7	E28 L29 Q30 T77 F78	P26-E28 VanDerWaalsContact C-N 3.26Å; P26-E28 PolarHBondContact O-N 3.31Å; P26-L29 PolarHBondContact O-N 2.96Å; P26-Q30 WeakPolarHBondContact O-CG 3.45Å; P26-Q30 PolarHBondContact O-N 3.15Å; P26-T77 WeakPolarHBondContact CG-O 3.38Å; P26-F78 HydrophobicContact CB-CD1 4.45Å; P26-F78 HydrophobicContact CG-CD1 3.89Å; P26-F78 HydrophobicContact CG-CE1 4.49Å
27	K	84.1	Confident	73.6	Confident	157 Å²	157	65.5 Å²	65.5	68%	0.683	37%	0.372	S	S	*	.	H	α-helix	trans	-69.4	-22.2	179	-68.6	-174.7	178	-179.6	0	113.5	S25 K31	S25-K27 PolarHBondContact O-N 3.45Å; K27-K31 WeakPolarHBondContact O-CG 3.48Å; K27-K31 PolarHBondContact O-N 3.39Å
28	E	87.1	Confident	76.2	Confident	61 Å²	61	67.8 Å²	67.8	29%	0.285	37%	0.369	S	S	.	.	H	α-helix	trans	-88.3	-31.1	178.1	-68.6	171.1	100.4	0	0	112.2	I24 S25 P26 L32 K47 Y48	I24-E28 HydrophobicContact CG1-CB 4.4Å; S25-E28 VanDerWaalsContact CB-OE2 3.31Å; S25-E28 WeakPolarHBondContact CB-OE2 3.18Å; S25-E28 PolarHBondContact N-OE2 3.16Å; S25-E28 PolarHBondContact O-N 2.89Å; S25-E28 WeakPolarHBondContact OG-CG 3.34Å; S25-E28 PolarHBondContact OG-OE2 3.09Å; P26-E28 VanDerWaalsContact C-N 3.26Å; P26-E28 PolarHBondContact O-N 3.31Å; E28-L32 PolarHBondContact O-N 3.08Å; E28-K47 IonicContact OE1-NZ 2.69Å; E28-K47 PolarHBondContact OE1-NZ 3.06Å; E28-Y48 PolarHBondContact O-OH 3.2Å
29	L	86.8	Confident	78.6	Confident	1 Å²	1	70.8 Å²	70.8	1%	0.005	37%	0.366	C	S	.	.	H	α-helix	trans	-66.5	-41.8	166.7	-67.8	162.3	0	0	0	110.4	I24 S25 P26 K31 L32 M33 L54 L58 F78 V197 T261	I24-L29 HydrophobicContact CD1-CD2 3.69Å; I24-L29 HydrophobicContact CD1-CG 3.94Å; I24-L29 HydrophobicContact CG1-CD2 4.4Å; I24-L29 HydrophobicContact CG1-CG 4.12Å; S25-L29 PolarHBondContact O-N 3.33Å; P26-L29 PolarHBondContact O-N 2.96Å; L29-K31 PolarHBondContact O-N 3.11Å; L29-L32 WeakPolarHBondContact O-CB 3.47Å; L29-L32 PolarHBondContact O-N 2.9Å; L29-M33 WeakPolarHBondContact O-CG 3.42Å; L29-M33 PolarHBondContact O-N 2.96Å; L29-L54 HydrophobicContact CD2-CD1 4.07Å; L29-L58 HydrophobicContact CD1-CD2 4.19Å; L29-L58 HydrophobicContact CD2-CD2 4.46Å; L29-F78 HydrophobicContact CD1-CD1 3.86Å; L29-F78 HydrophobicContact CD1-CE1 3.67Å; L29-V197 HydrophobicContact CD1-CG1 3.98Å; L29-T261 WeakPolarHBondContact CB-O 3.46Å; L29-T261 WeakPolarHBondContact CD1-O 3.09Å; L29-T261 HydrophobicContact CD2-CG2 4.19Å
30	Q	84.5	Confident	80.7	Confident	37 Å²	37	66 Å²	66	17%	0.173	33%	0.326	C	S	.	.	H	α-helix	trans	-56.1	-49.1	171.2	-78.5	172.6	-31.3	0	0	112.5	P26 L32 M33 D34 N266 I271	P26-Q30 WeakPolarHBondContact O-CG 3.45Å; P26-Q30 PolarHBondContact O-N 3.15Å; Q30-L32 VanDerWaalsContact C-N 3.33Å; Q30-L32 PolarHBondContact O-N 3.46Å; Q30-M33 CarbonylContact O-C 3.53Å; Q30-M33 WeakPolarHBondContact O-CA 3.39Å; Q30-M33 WeakPolarHBondContact O-CB 3.28Å; Q30-M33 PolarHBondContact O-N 2.86Å; Q30-D34 PolarHBondContact O-N 2.74Å; Q30-N266 WeakPolarHBondContact CG-O 3.5Å; Q30-N266 VanDerWaalsContact NE2-CA 3.35Å; Q30-N266 PolarHBondContact NE2-O 3.01Å; Q30-N266 PolarHBondContact NE2-OD1 3.1Å; Q30-I271 HydrophobicContact CG-CD1 4.44Å
31	K	84.9	Confident	82.3	Confident	127 Å²	127	61.1 Å²	61.1	55%	0.552	30%	0.301	S	S	*	.	H	α-helix	trans	-60.8	-37.3	176.2	-77.1	-178.4	175.4	-170.1	0	113.7	K27 L29 M33 D34 C35	K27-K31 WeakPolarHBondContact O-CG 3.48Å; K27-K31 PolarHBondContact O-N 3.39Å; L29-K31 PolarHBondContact O-N 3.11Å; K31-M33 PolarHBondContact O-N 3.21Å; K31-D34 WeakPolarHBondContact O-CB 3.44Å; K31-D34 PolarHBondContact O-N 3.48Å; K31-D34 VanDerWaalsContact O-N 3.15Å; K31-C35 PolarHBondContact O-N 2.97Å
32	L	87.1	Confident	83.4	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61	-36.3	171.8	174	65.2	0	0	0	111.3	E28 L29 Q30 D34 Y43 L44 Y48 L54 I214 I244 T261	E28-L32 PolarHBondContact O-N 3.08Å; L29-L32 WeakPolarHBondContact O-CB 3.47Å; L29-L32 PolarHBondContact O-N 2.9Å; Q30-L32 VanDerWaalsContact C-N 3.33Å; Q30-L32 PolarHBondContact O-N 3.46Å; L32-D34 VanDerWaalsContact C-N 3.33Å; L32-Y43 HydrophobicContact CB-CD1 4.43Å; L32-Y43 HydrophobicContact CB-CE1 4.4Å; L32-Y43 HydrophobicContact CD1-CD1 3.94Å; L32-L44 HydrophobicContact CD1-CB 4.34Å; L32-L44 HydrophobicContact CD1-CD1 4.32Å; L32-L44 HydrophobicContact CD2-CD1 4.23Å; L32-Y48 HydrophobicContact CB-CE2 4.36Å; L32-Y48 HydrophobicContact CD1-CE2 4.4Å; L32-Y48 HydrophobicContact CD2-CD2 4.43Å; L32-Y48 HydrophobicContact CD2-CE2 4.07Å; L32-L54 HydrophobicContact CD2-CD2 3.88Å; L32-I214 HydrophobicContact CD1-CD1 4.41Å; L32-I214 HydrophobicContact CD2-CD1 4.22Å; L32-I214 HydrophobicContact CD2-CG1 4.12Å; L32-I214 HydrophobicContact CG-CD1 4.3Å; L32-I244 WeakPolarHBondContact O-CD1 3.44Å; L32-T261 HydrophobicContact CD2-CG2 4.34Å
33	M	86.4	Confident	84	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-3.2	175.7	-58	-46.7	-55.9	0	0	114.7	L29 Q30 K31 R36 D212 I244 L245 L246 T261 Q268	L29-M33 WeakPolarHBondContact O-CG 3.42Å; L29-M33 PolarHBondContact O-N 2.96Å; Q30-M33 CarbonylContact O-C 3.53Å; Q30-M33 WeakPolarHBondContact O-CA 3.39Å; Q30-M33 WeakPolarHBondContact O-CB 3.28Å; Q30-M33 PolarHBondContact O-N 2.86Å; K31-M33 PolarHBondContact O-N 3.21Å; M33-R36 PolarHBondContact O-NH1 3.41Å; M33-R36 PolarHBondContact O-NH2 2.89Å; M33-D212 HydrophobicContact CE-CB 3.89Å; M33-D212 HydrophobicContact CG-CB 3.97Å; M33-D212 HydrophobicContact SD-CB 4.3Å; M33-I244 HydrophobicContact CE-CD1 3.73Å; M33-I244 HydrophobicContact CE-CG2 3.8Å; M33-I244 HydrophobicContact SD-CD1 3.86Å; M33-L245 WeakPolarHBondContact CE-O 3.43Å; M33-L246 HydrophobicContact CE-CD2 3.77Å; M33-T261 WeakPolarHBondContact CG-OG1 3.44Å; M33-T261 HydrophobicContact SD-CG2 4.42Å; M33-T261 PolarHBondContact SD-OG1 3.02Å; M33-Q268 HydrophobicContact CB-CG 4.15Å; M33-Q268 PolarHBondContact O-NE2 3.19Å
34	D	82.9	Confident	84.4	Confident	93 Å²	93	58.7 Å²	58.7	50%	0.497	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-37.9	167.6	-66.2	-38	0	0	0	111.1	Q30 K31 L32 R36 Q268	Q30-D34 PolarHBondContact O-N 2.74Å; K31-D34 WeakPolarHBondContact O-CB 3.44Å; K31-D34 PolarHBondContact O-N 3.48Å; K31-D34 VanDerWaalsContact O-N 3.15Å; L32-D34 VanDerWaalsContact C-N 3.33Å; D34-R36 PolarHBondContact O-NH1 2.95Å; D34-Q268 PolarHBondContact OD1-NE2 2.87Å
35	C	82.8	Confident	84.6	Confident	15 Å²	15	62.7 Å²	62.7	10%	0.101	30%	0.299	C	S	.	.			trans	-62.6	153	179.3	-63.3	0	0	0	0	112.8	K31 E39 A40	K31-C35 PolarHBondContact O-N 2.97Å; C35-E39 HydrophobicContact CB-CG 4.36Å; C35-A40 HydrophobicContact CB-CB 3.83Å
36	R	79.7	Confident	84.6	Confident	76 Å²	76	67.7 Å²	67.7	29%	0.287	32%	0.317	S	S	.	.			trans	-133.1	148	-179.3	-66.6	-70	175.2	-85.8	-0.2	112.5	M33 D34 L38 E39	M33-R36 PolarHBondContact O-NH1 3.41Å; M33-R36 PolarHBondContact O-NH2 2.89Å; D34-R36 PolarHBondContact O-NH1 2.95Å; R36-L38 PolarHBondContact O-N 3.1Å; R36-E39 WeakPolarHBondContact O-CB 3.4Å; R36-E39 PolarHBondContact O-N 3.08Å; R36-E39 VanDerWaalsContact O-N 3.15Å
37	K	81.9	Confident	84.7	Confident	116 Å²	116	69.9 Å²	69.9	50%	0.504	32%	0.323	S	S	.	.	H	α-helix	trans	53.4	-132.6	169.9	-59.1	171.3	-177	173.1	0	111.3	E39 A40 V41 K241 D242	K37-E39 PolarHBondContact O-N 3.47Å; K37-A40 PolarHBondContact O-N 2.95Å; K37-A40 VanDerWaalsContact O-N 3.13Å; K37-V41 PolarHBondContact O-N 2.88Å; K37-K241 CarbonylContact C-O 3.56Å; K37-K241 WeakPolarHBondContact CA-O 3.37Å; K37-D242 VanDerWaalsContact CA-OD1 3.29Å; K37-D242 WeakPolarHBondContact CA-OD1 3.41Å; K37-D242 HydrophobicContact CB-CB 4.36Å; K37-D242 HydrophobicContact CG-CB 4.04Å; K37-D242 PolarHBondContact N-OD1 3.03Å
38	L	82.1	Confident	84.7	Confident	113 Å²	113	63.1 Å²	63.1	59%	0.592	29%	0.294	S	S	*	.	H	α-helix	trans	-60.6	-25	-177.9	-71.5	164.6	0	0	0	114.2	R36 K42 K241	R36-L38 PolarHBondContact O-N 3.1Å; L38-K42 WeakPolarHBondContact O-CG 3.31Å; L38-K42 PolarHBondContact O-N 2.91Å; L38-K42 VanDerWaalsContact O-N 3.11Å; L38-K241 PolarHBondContact N-O 3.25Å; L38-K241 VanDerWaalsContact N-O 3.15Å
39	E	85	Confident	84.5	Confident	126 Å²	126	63.1 Å²	63.1	59%	0.589	31%	0.31	S	S	*	.	H	α-helix	trans	-68.5	-43.5	175.7	-172.2	-174.9	-170.6	0	0	111	C35 R36 K37 V41 K42 Y43	C35-E39 HydrophobicContact CB-CG 4.36Å; R36-E39 WeakPolarHBondContact O-CB 3.4Å; R36-E39 PolarHBondContact O-N 3.08Å; R36-E39 VanDerWaalsContact O-N 3.15Å; K37-E39 PolarHBondContact O-N 3.47Å; E39-V41 VanDerWaalsContact C-N 3.33Å; E39-V41 PolarHBondContact O-N 2.85Å; E39-K42 PolarHBondContact O-N 2.88Å; E39-Y43 WeakPolarHBondContact O-CB 3.49Å; E39-Y43 PolarHBondContact O-N 3.47Å
40	A	82.8	Confident	84.5	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.008	31%	0.313	C	S	.	.	H	α-helix	trans	-63.5	-38.8	175.8	0	0	0	0	0	111.8	C35 K37 Y43 L44 I244	C35-A40 HydrophobicContact CB-CB 3.83Å; K37-A40 PolarHBondContact O-N 2.95Å; K37-A40 VanDerWaalsContact O-N 3.13Å; A40-Y43 PolarHBondContact O-N 3.38Å; A40-L44 WeakPolarHBondContact O-CB 3.34Å; A40-L44 PolarHBondContact O-N 3.32Å; A40-I244 HydrophobicContact CB-CD1 3.99Å; A40-I244 HydrophobicContact CB-CG1 3.51Å
41	V	84.7	Confident	84.5	Confident	19 Å²	19	63 Å²	63	12%	0.115	31%	0.313	C	S	.	.	H	α-helix	trans	-62	-44.8	175.3	-179.6	0	0	0	0	111.2	K37 E39 N45 P243	K37-V41 PolarHBondContact O-N 2.88Å; E39-V41 VanDerWaalsContact C-N 3.33Å; E39-V41 PolarHBondContact O-N 2.85Å; V41-N45 WeakPolarHBondContact O-CB 3.1Å; V41-N45 VanDerWaalsContact O-CG 3.29Å; V41-N45 PolarHBondContact O-N 3.31Å; V41-N45 VanDerWaalsContact O-N 3.12Å; V41-N45 PolarHBondContact O-ND2 3.07Å; V41-P243 HydrophobicContact CG2-CG 3.95Å
42	K	85.6	Confident	84.6	Confident	134 Å²	134	61.5 Å²	61.5	58%	0.583	31%	0.314	S	S	*	.	H	α-helix	trans	-62.1	-53.4	175.2	-75.9	-173.4	177.5	-168.8	0	111.7	L38 E39 L44 N45 E46	L38-K42 WeakPolarHBondContact O-CG 3.31Å; L38-K42 PolarHBondContact O-N 2.91Å; L38-K42 VanDerWaalsContact O-N 3.11Å; E39-K42 PolarHBondContact O-N 2.88Å; K42-L44 VanDerWaalsContact C-N 3.29Å; K42-L44 PolarHBondContact O-N 2.85Å; K42-N45 PolarHBondContact O-N 3.01Å; K42-N45 VanDerWaalsContact O-N 3.1Å; K42-E46 WeakPolarHBondContact O-CB 3.28Å; K42-E46 WeakPolarHBondContact O-CG 3.31Å; K42-E46 PolarHBondContact O-N 3.11Å
43	Y	86.3	Confident	84.5	Confident	66 Å²	66	62 Å²	62	26%	0.259	32%	0.319	S	S	.	.	H	α-helix	trans	-58.8	-39.5	-178.7	-167	-101.8	0	0	0	112.5	L32 E39 A40 K47 Y48	L32-Y43 HydrophobicContact CB-CD1 4.43Å; L32-Y43 HydrophobicContact CB-CE1 4.4Å; L32-Y43 HydrophobicContact CD1-CD1 3.94Å; E39-Y43 WeakPolarHBondContact O-CB 3.49Å; E39-Y43 PolarHBondContact O-N 3.47Å; A40-Y43 PolarHBondContact O-N 3.38Å; Y43-K47 HydrophobicContact CE1-CD 3.95Å; Y43-K47 HydrophobicContact CE2-CD 4.26Å; Y43-K47 VanDerWaalsContact O-CB 3.24Å; Y43-K47 WeakPolarHBondContact O-CB 3.37Å; Y43-K47 PolarHBondContact O-N 3.25Å; Y43-K47 WeakPolarHBondContact OH-CD 3.1Å; Y43-Y48 HydrophobicContact CD1-CE2 4.26Å; Y43-Y48 HydrophobicContact CE1-CE2 4.01Å
44	L	86.8	Confident	84.6	Confident	4 Å²	4	62 Å²	62	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-63.9	-43.1	175.7	-175.8	71.1	0	0	0	112.4	L32 A40 K42 Y48 G49 G50 V51 L54 I214	L32-L44 HydrophobicContact CD1-CB 4.34Å; L32-L44 HydrophobicContact CD1-CD1 4.32Å; L32-L44 HydrophobicContact CD2-CD1 4.23Å; A40-L44 WeakPolarHBondContact O-CB 3.34Å; A40-L44 PolarHBondContact O-N 3.32Å; K42-L44 VanDerWaalsContact C-N 3.29Å; K42-L44 PolarHBondContact O-N 2.85Å; L44-Y48 HydrophobicContact CD1-CD2 4.17Å; L44-Y48 CarbonylContact O-C 3.48Å; L44-Y48 WeakPolarHBondContact O-CA 3.39Å; L44-Y48 WeakPolarHBondContact O-CB 3.22Å; L44-Y48 PolarHBondContact O-N 3.36Å; L44-Y48 VanDerWaalsContact O-N 3.12Å; L44-G49 PolarHBondContact O-N 3.23Å; L44-G50 PolarHBondContact O-N 3.49Å; L44-V51 HydrophobicContact CD2-CG2 3.81Å; L44-L54 HydrophobicContact CD1-CB 4.14Å; L44-L54 HydrophobicContact CD1-CD2 3.73Å; L44-I214 HydrophobicContact CD2-CG2 4.09Å
45	N	86	Confident	84.8	Confident	90 Å²	90	57.6 Å²	57.6	48%	0.481	30%	0.296	S	S	.	.	H	α-helix	trans	-73.1	-48.8	179.5	-71.1	-20.6	0	0	0	112.1	V41 K42 G49 G50	V41-N45 WeakPolarHBondContact O-CB 3.1Å; V41-N45 VanDerWaalsContact O-CG 3.29Å; V41-N45 PolarHBondContact O-N 3.31Å; V41-N45 VanDerWaalsContact O-N 3.12Å; V41-N45 PolarHBondContact O-ND2 3.07Å; K42-N45 PolarHBondContact O-N 3.01Å; K42-N45 VanDerWaalsContact O-N 3.1Å; N45-G49 WeakPolarHBondContact O-CA 3.33Å; N45-G49 PolarHBondContact O-N 2.81Å; N45-G49 VanDerWaalsContact O-N 3.14Å; N45-G50 VanDerWaalsContact OD1-CA 3.31Å; N45-G50 WeakPolarHBondContact OD1-CA 3.24Å
46	E	86.2	Confident	85	Confident	152 Å²	152	64.7 Å²	64.7	71%	0.71	32%	0.321	S	S	*	.	H	α-helix	trans	-65.9	-40.6	-176.8	-70.4	167.8	-161.5	0	0	112.6	K42	K42-E46 WeakPolarHBondContact O-CB 3.28Å; K42-E46 WeakPolarHBondContact O-CG 3.31Å; K42-E46 PolarHBondContact O-N 3.11Å
47	K	85.2	Confident	85.3	Confident	79 Å²	79	63 Å²	63	34%	0.343	32%	0.317	S	S	.	.	H	α-helix	trans	-95.5	-34.6	-174.8	-166.6	-179.7	172.9	-151.8	0	114.4	E28 Y43	E28-K47 IonicContact OE1-NZ 2.69Å; E28-K47 PolarHBondContact OE1-NZ 3.06Å; Y43-K47 HydrophobicContact CE1-CD 3.95Å; Y43-K47 HydrophobicContact CE2-CD 4.26Å; Y43-K47 VanDerWaalsContact O-CB 3.24Å; Y43-K47 WeakPolarHBondContact O-CB 3.37Å; Y43-K47 PolarHBondContact O-N 3.25Å; Y43-K47 WeakPolarHBondContact OH-CD 3.1Å
48	Y	85	Confident	85.5	Confident	16 Å²	16	57.4 Å²	57.4	6%	0.063	29%	0.293	C	S	.	.	H	α-helix	trans	-119.5	0.2	-170.8	-52.5	-60	0	0	0	114.1	I24 E28 L32 Y43 L44 G50 G53 L54 L57	I24-Y48 HydrophobicContact CD1-CD1 4.1Å; I24-Y48 HydrophobicContact CD1-CE1 3.49Å; I24-Y48 VanDerWaalsContact CD1-CE1 3.49Å; I24-Y48 HydrophobicContact CG1-CE1 4.3Å; E28-Y48 PolarHBondContact O-OH 3.2Å; L32-Y48 HydrophobicContact CB-CE2 4.36Å; L32-Y48 HydrophobicContact CD1-CE2 4.4Å; L32-Y48 HydrophobicContact CD2-CD2 4.43Å; L32-Y48 HydrophobicContact CD2-CE2 4.07Å; Y43-Y48 HydrophobicContact CD1-CE2 4.26Å; Y43-Y48 HydrophobicContact CE1-CE2 4.01Å; L44-Y48 HydrophobicContact CD1-CD2 4.17Å; L44-Y48 CarbonylContact O-C 3.48Å; L44-Y48 WeakPolarHBondContact O-CA 3.39Å; L44-Y48 WeakPolarHBondContact O-CB 3.22Å; L44-Y48 PolarHBondContact O-N 3.36Å; L44-Y48 VanDerWaalsContact O-N 3.12Å; Y48-G50 VanDerWaalsContact C-N 3.33Å; Y48-G53 CarbonylContact O-C 3.54Å; Y48-G53 VanDerWaalsContact O-C 3.31Å; Y48-G53 WeakPolarHBondContact O-CA 3.37Å; Y48-L54 HydrophobicContact CD2-CD1 4.5Å; Y48-L54 HydrophobicContact CG-CD1 4.43Å; Y48-L54 PolarHBondContact O-N 2.77Å; Y48-L57 HydrophobicContact CD1-CD1 3.64Å; Y48-L57 HydrophobicContact CE1-CD1 4.49Å; Y48-L57 HydrophobicContact CG-CD1 4.36Å
49	G	82.8	Confident	85.8	Confident	60 Å²	60	57 Å²	57	62%	0.619	29%	0.286	S	S	*	.	S	Bend	trans	69.4	29.5	-177	0	0	0	0	0	113.6	L44 N45	L44-G49 PolarHBondContact O-N 3.23Å; N45-G49 WeakPolarHBondContact O-CA 3.33Å; N45-G49 PolarHBondContact O-N 2.81Å; N45-G49 VanDerWaalsContact O-N 3.14Å
50	G	85.7	Confident	85.9	Confident	7 Å²	7	51.7 Å²	51.7	7%	0.072	26%	0.262	C	S	.	.	H	α-helix	trans	82.5	-173.2	179.8	0	0	0	0	0	113.7	L44 N45 Y48 V52 G53 L54	L44-G50 PolarHBondContact O-N 3.49Å; N45-G50 VanDerWaalsContact OD1-CA 3.31Å; N45-G50 WeakPolarHBondContact OD1-CA 3.24Å; Y48-G50 VanDerWaalsContact C-N 3.33Å; G50-V52 VanDerWaalsContact C-N 3.28Å; G50-V52 PolarHBondContact O-N 3.35Å; G50-G53 PolarHBondContact O-N 3.17Å; G50-L54 PolarHBondContact O-N 3.32Å
51	V	85.3	Confident	86.2	Confident	28 Å²	28	53.2 Å²	53.2	17%	0.17	27%	0.273	C	S	.	.	H	α-helix	trans	-57.2	-40.8	-176.6	-173.9	0	0	0	0	112	L44 L54 C55 I214 I216	L44-V51 HydrophobicContact CD2-CG2 3.81Å; V51-L54 PolarHBondContact O-N 2.99Å; V51-C55 PolarHBondContact O-N 3.25Å; V51-C55 PolarHBondContact O-SG 2.94Å; V51-I214 HydrophobicContact CG1-CG2 4.33Å; V51-I214 HydrophobicContact CG2-CG2 3.96Å; V51-I216 HydrophobicContact CG1-CB 4.45Å; V51-I216 HydrophobicContact CG1-CG1 4.1Å; V51-I216 HydrophobicContact CG1-CG2 4.49Å
52	V	86	Confident	86.2	Confident	96 Å²	96	54.1 Å²	54.1	58%	0.582	28%	0.279	S	S	*	.	H	α-helix	trans	-67.1	-40.4	-178.1	-178.1	0	0	0	0	111.6	G50 C55 R56	G50-V52 VanDerWaalsContact C-N 3.28Å; G50-V52 PolarHBondContact O-N 3.35Å; V52-C55 PolarHBondContact O-N 2.75Å; V52-R56 PolarHBondContact O-N 2.85Å
53	G	86.4	Confident	86.1	Confident	11 Å²	11	54.5 Å²	54.5	11%	0.113	28%	0.283	C	S	.	.	H	α-helix	trans	-70	-37.7	175.9	0	0	0	0	0	112.7	Y48 G50 C55 R56 L57	Y48-G53 CarbonylContact O-C 3.54Å; Y48-G53 VanDerWaalsContact O-C 3.31Å; Y48-G53 WeakPolarHBondContact O-CA 3.37Å; G50-G53 PolarHBondContact O-N 3.17Å; G53-C55 VanDerWaalsContact C-N 3.34Å; G53-C55 PolarHBondContact O-N 2.3Å; G53-R56 WeakPolarHBondContact O-CB 3.27Å; G53-R56 PolarHBondContact O-N 3.43Å; G53-L57 WeakPolarHBondContact O-CG 3.39Å; G53-L57 PolarHBondContact O-N 2.96Å
54	L	88	Confident	86	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.5	-43.1	169.6	179.9	63	0	0	0	111.9	I24 L29 L32 L44 Y48 G50 V51 R56 L57 L58 I214 V259 T261	I24-L54 HydrophobicContact CD1-CD1 3.87Å; L29-L54 HydrophobicContact CD2-CD1 4.07Å; L32-L54 HydrophobicContact CD2-CD2 3.88Å; L44-L54 HydrophobicContact CD1-CB 4.14Å; L44-L54 HydrophobicContact CD1-CD2 3.73Å; Y48-L54 HydrophobicContact CD2-CD1 4.5Å; Y48-L54 HydrophobicContact CG-CD1 4.43Å; Y48-L54 PolarHBondContact O-N 2.77Å; G50-L54 PolarHBondContact O-N 3.32Å; V51-L54 PolarHBondContact O-N 2.99Å; L54-R56 VanDerWaalsContact C-N 3.32Å; L54-R56 PolarHBondContact O-N 3.35Å; L54-L57 PolarHBondContact O-N 3.32Å; L54-L58 HydrophobicContact CD1-CD1 4.14Å; L54-L58 HydrophobicContact CD1-CG 4.31Å; L54-L58 HydrophobicContact CG-CD1 4.14Å; L54-L58 WeakPolarHBondContact O-CB 3.11Å; L54-L58 WeakPolarHBondContact O-CG 3.37Å; L54-L58 PolarHBondContact O-N 3.42Å; L54-I214 HydrophobicContact CD2-CB 4.46Å; L54-I214 HydrophobicContact CD2-CG1 4.04Å; L54-V259 HydrophobicContact CD2-CG1 4.44Å; L54-T261 HydrophobicContact CD2-CG2 4.12Å
55	C	87.2	Confident	86	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.6	-37.1	175.8	-66.8	0	0	0	0	112.3	V51 V52 G53 L58 K59 T60 P62	V51-C55 PolarHBondContact O-N 3.25Å; V51-C55 PolarHBondContact O-SG 2.94Å; V52-C55 PolarHBondContact O-N 2.75Å; G53-C55 VanDerWaalsContact C-N 3.34Å; G53-C55 PolarHBondContact O-N 2.3Å; C55-L58 CarbonylContact O-C 3.31Å; C55-L58 PolarHBondContact O-N 2.92Å; C55-K59 PolarHBondContact O-N 3.49Å; C55-T60 HydrophobicContact CB-CG2 3.87Å; C55-T60 PolarHBondContact O-N 2.93Å; C55-P62 HydrophobicContact CB-CG 3.95Å
56	R	86.3	Confident	86.1	Confident	165 Å²	165	50.9 Å²	50.9	62%	0.623	27%	0.27	S	S	*	.	H	α-helix	trans	-62.7	-47.7	173.7	-170.3	-175.4	-64.7	154.6	-0.2	111.8	V52 G53 L54 L58 K59	V52-R56 PolarHBondContact O-N 2.85Å; G53-R56 WeakPolarHBondContact O-CB 3.27Å; G53-R56 PolarHBondContact O-N 3.43Å; L54-R56 VanDerWaalsContact C-N 3.32Å; L54-R56 PolarHBondContact O-N 3.35Å; R56-L58 VanDerWaalsContact C-N 3.29Å; R56-L58 PolarHBondContact O-N 3.41Å; R56-K59 PolarHBondContact O-N 3.2Å
57	L	86.4	Confident	85.8	Confident	39 Å²	39	49.1 Å²	49.1	20%	0.204	26%	0.261	C	S	.	.	H	α-helix	trans	-61.5	-36.1	176.6	-68.9	167.4	0	0	0	112.5	E23 I24 Y48 G53 L54 K59	E23-L57 HydrophobicContact CB-CD2 3.85Å; E23-L57 WeakPolarHBondContact OE2-CD2 3.18Å; I24-L57 HydrophobicContact CG2-CB 4.33Å; Y48-L57 HydrophobicContact CD1-CD1 3.64Å; Y48-L57 HydrophobicContact CE1-CD1 4.49Å; Y48-L57 HydrophobicContact CG-CD1 4.36Å; G53-L57 WeakPolarHBondContact O-CG 3.39Å; G53-L57 PolarHBondContact O-N 2.96Å; L54-L57 PolarHBondContact O-N 3.32Å; L57-K59 VanDerWaalsContact C-N 3.26Å; L57-K59 PolarHBondContact O-N 2.97Å
58	L	86.7	Confident	85.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	2.4	174.1	-67.5	179.4	0	0	0	114	I24 L29 L54 C55 R56 T60 R74 F78 V197 V259	I24-L58 HydrophobicContact CG2-CD2 3.78Å; L29-L58 HydrophobicContact CD1-CD2 4.19Å; L29-L58 HydrophobicContact CD2-CD2 4.46Å; L54-L58 HydrophobicContact CD1-CD1 4.14Å; L54-L58 HydrophobicContact CD1-CG 4.31Å; L54-L58 HydrophobicContact CG-CD1 4.14Å; L54-L58 WeakPolarHBondContact O-CB 3.11Å; L54-L58 WeakPolarHBondContact O-CG 3.37Å; L54-L58 PolarHBondContact O-N 3.42Å; C55-L58 CarbonylContact O-C 3.31Å; C55-L58 PolarHBondContact O-N 2.92Å; R56-L58 VanDerWaalsContact C-N 3.29Å; R56-L58 PolarHBondContact O-N 3.41Å; L58-T60 HydrophobicContact CB-CG2 4.12Å; L58-T60 PolarHBondContact O-N 3.12Å; L58-R74 VanDerWaalsContact O-CZ 3.3Å; L58-R74 PolarHBondContact O-NH1 3.39Å; L58-R74 PolarHBondContact O-NH2 3.43Å; L58-F78 HydrophobicContact CD2-CZ 4.44Å; L58-V197 HydrophobicContact CD1-CG1 4.43Å; L58-V197 HydrophobicContact CD2-CG1 3.79Å; L58-V259 HydrophobicContact CD1-CG2 4.02Å
59	K	87.5	Confident	84.5	Confident	104 Å²	104	56 Å²	56	45%	0.452	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	49	52.7	-178.5	-61.5	174.3	179.1	171	0	112	S21 F22 C55 R56 L57 R74	S21-K59 PolarHBondContact O-NZ 3.48Å; F22-K59 HydrophobicContact CD1-CD 4.44Å; F22-K59 HydrophobicContact CE1-CD 4.39Å; C55-K59 PolarHBondContact O-N 3.49Å; R56-K59 PolarHBondContact O-N 3.2Å; L57-K59 VanDerWaalsContact C-N 3.26Å; L57-K59 PolarHBondContact O-N 2.97Å; K59-R74 PolarHBondContact O-NH2 3.34Å
60	T	88.4	Confident	84.5	Confident	15 Å²	15	54.8 Å²	54.8	9%	0.092	28%	0.275	C	S	.	.			trans	-136	146.9	-178.3	-168.4	0	0	0	0	112.1	C55 L58 G65 L66 G198 V259	C55-T60 HydrophobicContact CB-CG2 3.87Å; C55-T60 PolarHBondContact O-N 2.93Å; L58-T60 HydrophobicContact CB-CG2 4.12Å; L58-T60 PolarHBondContact O-N 3.12Å; T60-G65 PolarHBondContact OG1-O 2.92Å; T60-L66 WeakPolarHBondContact OG1-CD2 3.18Å; T60-G198 VanDerWaalsContact CB-O 3.27Å; T60-G198 WeakPolarHBondContact CB-O 3.36Å; T60-G198 WeakPolarHBondContact CG2-O 2.91Å; T60-G198 PolarHBondContact OG1-O 2.83Å; T60-V259 HydrophobicContact CG2-CG2 4.01Å
61	S	88.6	Confident	84.5	Confident	32 Å²	32	56.3 Å²	56.3	22%	0.224	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-88.2	128.4	175.5	174.6	0	0	0	0	110.9	Q63 D64 G65	S61-Q63 PolarHBondContact O-N 3.03Å; S61-Q63 VanDerWaalsContact O-N 3.15Å; S61-Q63 PolarHBondContact OG-N 2.82Å; S61-D64 WeakPolarHBondContact CB-OD2 3.26Å; S61-D64 PolarHBondContact OG-N 3.13Å; S61-D64 PolarHBondContact OG-OD2 2.91Å; S61-G65 PolarHBondContact N-O 3.01Å; S61-G65 VanDerWaalsContact N-O 3.07Å; S61-G65 VanDerWaalsContact O-CA 3.26Å; S61-G65 WeakPolarHBondContact O-CA 3.42Å; S61-G65 PolarHBondContact O-N 3.39Å
62	P	84.2	Confident	84.4	Confident	39 Å²	39	59.4 Å²	59.4	25%	0.253	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.9	173	-22.7	33.2	0	0	0	114.4	C55 I216	C55-P62 HydrophobicContact CB-CG 3.95Å; P62-I216 HydrophobicContact CB-CG2 4.03Å
63	Q	84.4	Confident	84.4	Confident	141 Å²	141	59.6 Å²	59.6	66%	0.659	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-45.6	178.5	-67.1	-173.1	-2.6	0	0	112.2	S61	S61-Q63 PolarHBondContact O-N 3.03Å; S61-Q63 VanDerWaalsContact O-N 3.15Å; S61-Q63 PolarHBondContact OG-N 2.82Å
64	D	83.2	Confident	84.5	Confident	76 Å²	76	59.1 Å²	59.1	41%	0.406	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-12.5	-170	-38.3	-80.6	0	0	0	113.8	S61 R183 K184 G185	S61-D64 WeakPolarHBondContact CB-OD2 3.26Å; S61-D64 PolarHBondContact OG-N 3.13Å; S61-D64 PolarHBondContact OG-OD2 2.91Å; D64-R183 CarbonylContact O-C 3.4Å; D64-K184 PolarHBondContact O-N 3.16Å; D64-G185 PolarHBondContact O-N 3.42Å
65	G	87	Confident	84.6	Confident	6 Å²	6	62.5 Å²	62.5	6%	0.062	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	70.6	-142	-176.5	0	0	0	0	0	114	T60 S61 I182	T60-G65 PolarHBondContact OG1-O 2.92Å; S61-G65 PolarHBondContact N-O 3.01Å; S61-G65 VanDerWaalsContact N-O 3.07Å; S61-G65 VanDerWaalsContact O-CA 3.26Å; S61-G65 WeakPolarHBondContact O-CA 3.42Å; S61-G65 PolarHBondContact O-N 3.39Å; G65-I182 WeakPolarHBondContact CA-O 3.44Å
66	L	87.9	Confident	84.6	Confident	3 Å²	3	69.2 Å²	69.2	2%	0.016	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-93.8	151.9	-176.8	-71.4	-179.3	0	0	0	114	T60 F71 R74 K184 V196 G198	T60-L66 WeakPolarHBondContact OG1-CD2 3.18Å; L66-F71 HydrophobicContact CB-CE1 4.07Å; L66-F71 HydrophobicContact CD1-CE1 4.08Å; L66-R74 VanDerWaalsContact CD2-CZ 3.42Å; L66-K184 PolarHBondContact O-N 3.47Å; L66-V196 HydrophobicContact CD1-CG2 3.73Å; L66-G198 WeakPolarHBondContact CG-O 3.49Å
67	H	79	Confident	84.7	Confident	115 Å²	115	64.4 Å²	64.4	53%	0.532	33%	0.332	S	S	.	.			trans	-87.3	146.5	158.7	-98.3	-121.9	0	0	0	111.1	E69	H67-E69 VanDerWaalsContact C-N 3.32Å; H67-E69 IonicContact ND1-OE1 3.87Å; H67-E69 PolarHBondContact O-N 3.26Å
68	E	70.9	Confident	84.8	Confident	71 Å²	71	62.8 Å²	62.8	33%	0.332	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-80.1	-7.9	-165.7	-66.8	159.3	159.4	0	0	114.3	D70 F71 K184 K188	E68-D70 VanDerWaalsContact C-N 3.35Å; E68-D70 PolarHBondContact O-N 3.24Å; E68-F71 HydrophobicContact CB-CE2 3.89Å; E68-F71 HydrophobicContact CB-CZ 4.02Å; E68-F71 HydrophobicContact CG-CE2 3.79Å; E68-F71 HydrophobicContact CG-CZ 3.71Å; E68-K184 VanDerWaalsContact OE2-CE 3.28Å; E68-K184 WeakPolarHBondContact OE2-CE 3.48Å; E68-K184 IonicContact OE2-NZ 2.73Å; E68-K184 PolarHBondContact OE2-NZ 2.92Å; E68-K188 IonicContact OE1-NZ 2.61Å; E68-K188 PolarHBondContact OE1-NZ 3.39Å
69	E	72.7	Confident	84.9	Confident	167 Å²	167	63.9 Å²	63.9	78%	0.78	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-75.7	-18.3	-174.7	-69.3	153.8	-122.6	0	0	114.1	H67	H67-E69 VanDerWaalsContact C-N 3.32Å; H67-E69 IonicContact ND1-OE1 3.87Å; H67-E69 PolarHBondContact O-N 3.26Å
70	D	82.2	Confident	85	Confident	36 Å²	36	60.8 Å²	60.8	19%	0.193	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-103.5	-3.3	-168	-168.7	34.8	0	0	0	113.6	F22 E68 S72 K73 R74	F22-D70 WeakPolarHBondContact CZ-OD2 3.24Å; E68-D70 VanDerWaalsContact C-N 3.35Å; E68-D70 PolarHBondContact O-N 3.24Å; D70-S72 PolarHBondContact O-N 3.02Å; D70-K73 PolarHBondContact O-N 3.37Å; D70-K73 VanDerWaalsContact O-N 3.11Å; D70-R74 PolarHBondContact O-N 3.36Å; D70-R74 IonicContact OD2-CZ 2.83Å; D70-R74 IonicContact OD2-NE 3.71Å; D70-R74 PolarHBondContact OD2-NE 3.38Å; D70-R74 IonicContact OD2-NH2 2.74Å; D70-R74 PolarHBondContact OD2-NH2 2.85Å
71	F	86.1	Confident	85.1	Confident	39 Å²	39	60.8 Å²	60.8	17%	0.171	33%	0.328	C	S	.	.	H	α-helix	trans	-59.9	-42	-170.6	-64.9	-14.2	0	0	0	113.7	L66 E68 K73 R74 I75 R183 V196	L66-F71 HydrophobicContact CB-CE1 4.07Å; L66-F71 HydrophobicContact CD1-CE1 4.08Å; E68-F71 HydrophobicContact CB-CE2 3.89Å; E68-F71 HydrophobicContact CB-CZ 4.02Å; E68-F71 HydrophobicContact CG-CE2 3.79Å; E68-F71 HydrophobicContact CG-CZ 3.71Å; F71-K73 VanDerWaalsContact C-N 3.31Å; F71-K73 PolarHBondContact O-N 3.48Å; F71-R74 PolarHBondContact O-N 2.82Å; F71-I75 WeakPolarHBondContact O-CG1 3.27Å; F71-I75 PolarHBondContact O-N 3.03Å; F71-R183 VanDerWaalsContact CZ-CZ 3.45Å; F71-V196 HydrophobicContact CD1-CG2 4.06Å; F71-V196 HydrophobicContact CE1-CG2 4.34Å
72	S	83.9	Confident	84.8	Confident	92 Å²	92	63.1 Å²	63.1	64%	0.643	34%	0.34	S	S	*	.	H	α-helix	trans	-64	-34.7	178.3	-57	0	0	0	0	112.6	D70 N76	D70-S72 PolarHBondContact O-N 3.02Å; S72-N76 VanDerWaalsContact O-CG 3.28Å; S72-N76 PolarHBondContact O-N 3.27Å; S72-N76 PolarHBondContact O-ND2 3.38Å
73	K	85.4	Confident	84.3	Confident	100 Å²	100	64.6 Å²	64.6	44%	0.435	35%	0.345	S	S	.	.	H	α-helix	trans	-68.8	-46.6	174.6	-63.7	-174.7	-179.6	-177.9	0	110.2	D20 F22 D70 F71 I75 N76 T77	D20-K73 IonicContact OD1-NZ 2.64Å; D20-K73 PolarHBondContact OD1-NZ 3.25Å; D20-K73 IonicContact OD2-NZ 3.44Å; F22-K73 HydrophobicContact CE2-CB 4.36Å; D70-K73 PolarHBondContact O-N 3.37Å; D70-K73 VanDerWaalsContact O-N 3.11Å; F71-K73 VanDerWaalsContact C-N 3.31Å; F71-K73 PolarHBondContact O-N 3.48Å; K73-I75 PolarHBondContact O-N 3.49Å; K73-N76 PolarHBondContact O-N 3.06Å; K73-N76 VanDerWaalsContact O-N 3.11Å; K73-T77 PolarHBondContact O-N 3.35Å; K73-T77 PolarHBondContact O-OG1 3.17Å
74	R	89.7	Confident	83.4	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.008	34%	0.344	C	S	.	.	H	α-helix	trans	-58.7	-43.2	178	-69.2	175.2	-174.7	-97.4	-11.3	113.2	F22 L58 K59 L66 D70 F71 N76 T77 F78 V196 V197	F22-R74 HydrophobicContact CE1-CG 4.34Å; F22-R74 HydrophobicContact CE2-CG 4.42Å; F22-R74 HydrophobicContact CZ-CG 3.72Å; L58-R74 VanDerWaalsContact O-CZ 3.3Å; L58-R74 PolarHBondContact O-NH1 3.39Å; L58-R74 PolarHBondContact O-NH2 3.43Å; K59-R74 PolarHBondContact O-NH2 3.34Å; L66-R74 VanDerWaalsContact CD2-CZ 3.42Å; D70-R74 PolarHBondContact O-N 3.36Å; D70-R74 IonicContact OD2-CZ 2.83Å; D70-R74 IonicContact OD2-NE 3.71Å; D70-R74 PolarHBondContact OD2-NE 3.38Å; D70-R74 IonicContact OD2-NH2 2.74Å; D70-R74 PolarHBondContact OD2-NH2 2.85Å; F71-R74 PolarHBondContact O-N 2.82Å; R74-N76 VanDerWaalsContact C-N 3.31Å; R74-N76 PolarHBondContact O-N 3.15Å; R74-T77 PolarHBondContact O-N 3.27Å; R74-F78 HydrophobicContact CB-CD2 4.34Å; R74-F78 WeakPolarHBondContact O-CB 3.33Å; R74-F78 PolarHBondContact O-N 3.04Å; R74-V196 HydrophobicContact CB-CB 4.34Å; R74-V197 PolarHBondContact NH1-O 3.09Å
75	I	88.6	Confident	82.6	Confident	71 Å²	71	62.5 Å²	62.5	36%	0.364	34%	0.342	S	S	.	.	H	α-helix	trans	-61.9	-40.2	176.4	-70.3	165.7	0	0	0	111	F71 K73 G79 A80 V196	F71-I75 WeakPolarHBondContact O-CG1 3.27Å; F71-I75 PolarHBondContact O-N 3.03Å; K73-I75 PolarHBondContact O-N 3.49Å; I75-G79 CarbonylContact O-C 3.07Å; I75-G79 WeakPolarHBondContact O-CA 2.97Å; I75-G79 PolarHBondContact O-N 3.4Å; I75-A80 HydrophobicContact CG2-CB 4.15Å; I75-V196 HydrophobicContact CD1-CG1 4.3Å; I75-V196 HydrophobicContact CG1-CG1 3.85Å
76	N	87.2	Confident	81.3	Confident	141 Å²	141	67 Å²	67	75%	0.754	36%	0.361	S	S	*	.	H	α-helix	trans	-71.5	-33.8	177.5	-70.2	-20	0	0	0	113.3	S72 K73 R74	S72-N76 VanDerWaalsContact O-CG 3.28Å; S72-N76 PolarHBondContact O-N 3.27Å; S72-N76 PolarHBondContact O-ND2 3.38Å; K73-N76 PolarHBondContact O-N 3.06Å; K73-N76 VanDerWaalsContact O-N 3.11Å; R74-N76 VanDerWaalsContact C-N 3.31Å; R74-N76 PolarHBondContact O-N 3.15Å
77	T	88.1	Confident	80.4	Confident	64 Å²	64	78.3 Å²	78.3	39%	0.393	40%	0.403	S	S	.	.	H	α-helix	trans	-83.5	-44.3	-179.9	-55.7	0	0	0	0	113.4	F22 P26 K73 R74	F22-T77 HydrophobicContact CD2-CG2 3.93Å; P26-T77 WeakPolarHBondContact CG-O 3.38Å; K73-T77 PolarHBondContact O-N 3.35Å; K73-T77 PolarHBondContact O-OG1 3.17Å; R74-T77 PolarHBondContact O-N 3.27Å
78	F	89.5	Confident	80	Confident	5 Å²	5	75.6 Å²	75.6	2%	0.022	40%	0.401	C	S	.	.	H	α-helix	trans	-110.1	-10.4	-170	-56.9	-76.2	0	0	0	114.3	F22 P26 L29 L58 R74 V197 N266	F22-F78 HydrophobicContact CB-CE2 4.38Å; F22-F78 HydrophobicContact CB-CZ 3.88Å; F22-F78 HydrophobicContact CD1-CE2 4.02Å; F22-F78 HydrophobicContact CD1-CZ 4.18Å; F22-F78 AromaticContact CD2-CE2 3.78Å; F22-F78 HydrophobicContact CD2-CE2 3.78Å; F22-F78 HydrophobicContact CD2-CZ 4.13Å; F22-F78 HydrophobicContact CE1-CE2 4.25Å; F22-F78 HydrophobicContact CE2-CE2 4.02Å; F22-F78 AromaticContact CG-CE2 3.79Å; F22-F78 HydrophobicContact CG-CE2 3.79Å; F22-F78 AromaticContact CG-CZ 3.8Å; F22-F78 HydrophobicContact CG-CZ 3.8Å; F22-F78 HydrophobicContact CZ-CE2 4.26Å; P26-F78 HydrophobicContact CB-CD1 4.45Å; P26-F78 HydrophobicContact CG-CD1 3.89Å; P26-F78 HydrophobicContact CG-CE1 4.49Å; L29-F78 HydrophobicContact CD1-CD1 3.86Å; L29-F78 HydrophobicContact CD1-CE1 3.67Å; L58-F78 HydrophobicContact CD2-CZ 4.44Å; R74-F78 HydrophobicContact CB-CD2 4.34Å; R74-F78 WeakPolarHBondContact O-CB 3.33Å; R74-F78 PolarHBondContact O-N 3.04Å; F78-V197 HydrophobicContact CB-CB 3.92Å; F78-V197 HydrophobicContact CB-CG2 3.68Å; F78-V197 HydrophobicContact CD1-CB 4.41Å; F78-V197 HydrophobicContact CD1-CG1 4.15Å; F78-V197 HydrophobicContact CD2-CB 4.1Å; F78-V197 HydrophobicContact CD2-CG1 4.33Å; F78-V197 HydrophobicContact CE1-CG1 4.46Å; F78-V197 HydrophobicContact CG-CB 3.9Å; F78-V197 HydrophobicContact CG-CG1 4.09Å; F78-V197 HydrophobicContact CG-CG2 4.13Å; F78-N266 PolarHBondContact O-ND2 3.34Å
79	G	88.7	Confident	80.4	Confident	23 Å²	23	76.4 Å²	76.4	24%	0.237	40%	0.404	C	S	.	.			trans	92.4	169	-174.2	0	0	0	0	0	113.5	I75 V263	I75-G79 CarbonylContact O-C 3.07Å; I75-G79 WeakPolarHBondContact O-CA 2.97Å; I75-G79 PolarHBondContact O-N 3.4Å; G79-V263 WeakPolarHBondContact O-CG2 3.36Å
80	A	89.3	Confident	81.2	Confident	38 Å²	38	72.8 Å²	72.8	31%	0.314	39%	0.393	S	S	.	.			trans	-94.8	155.7	173.3	0	0	0	0	0	111.3	I75 V82	I75-A80 HydrophobicContact CG2-CB 4.15Å; A80-V82 PolarHBondContact O-N 3.07Å
81	N	90.2	Very high	81.5	Confident	16 Å²	16	73.8 Å²	73.8	9%	0.086	40%	0.396	C	S	.	.	S	Bend	trans	-78.6	54.2	175	-157.9	32.1	0	0	0	113.1	V192 I195 P210 V263 G264	N81-V192 PolarHBondContact ND2-O 3.27Å; N81-I195 WeakPolarHBondContact CB-O 3.37Å; N81-P210 PolarHBondContact ND2-O 3Å; N81-P210 PolarHBondContact OD1-O 3.36Å; N81-V263 HydrophobicContact CB-CB 3.86Å; N81-V263 HydrophobicContact CB-CG1 4.23Å; N81-G264 PolarHBondContact OD1-N 2.83Å
82	V	83.7	Confident	81.7	Confident	81 Å²	81	78.2 Å²	78.2	49%	0.491	42%	0.42	S	S	.	.			trans	-133.3	119.1	-179.5	-179	0	0	0	0	109.3	A80 K193	A80-V82 PolarHBondContact O-N 3.07Å; V82-K193 HydrophobicContact CG2-CB 3.96Å
83	I	73.6	Confident	81.9	Confident	69 Å²	69	79.6 Å²	79.6	35%	0.354	41%	0.411	S	S	.	.			trans	-80.5	125.6	170.2	-61.4	178.2	0	0	0	107.7	Q85 F273	I83-Q85 PolarHBondContact O-N 3.3Å; I83-F273 HydrophobicContact CG2-CD1 3.34Å; I83-F273 HydrophobicContact CG2-CE1 3.56Å; I83-F273 HydrophobicContact CG2-CG 4.04Å; I83-F273 HydrophobicContact CG2-CZ 4.4Å
84	P	65	Low	81.9	Confident	97 Å²	97	75.3 Å²	75.3	63%	0.63	39%	0.393	S	S	*	.			trans	-70.8	115	-173.1	26.5	-33.9	0	0	0	112.2
85	Q	65.3	Low	81.8	Confident	77 Å²	77	76.3 Å²	76.3	36%	0.36	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-58.8	151.2	172.4	-65.5	179.4	4	0	0	112.1	I83 R87 E174	I83-Q85 PolarHBondContact O-N 3.3Å; Q85-R87 PolarHBondContact O-N 3.18Å; Q85-E174 VanDerWaalsContact NE2-CD 3.33Å; Q85-E174 PolarHBondContact NE2-OE1 3.09Å; Q85-E174 PolarHBondContact NE2-OE2 3.1Å
86	Q	61.3	Low	81.9	Confident	101 Å²	101	80.3 Å²	80.3	47%	0.472	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-57.5	133.6	167.7	-75.5	-174.2	-17.2	0	0	111	R167 L1147	Q86-R167 PolarHBondContact O-NH1 2.99Å; Q86-R167 PolarHBondContact O-NH2 2.93Å; Q86-L1147 PolarHBondContact NE2-O 3.3Å; Q86-L1147 VanDerWaalsContact NE2-O 3.11Å
87	R	67.4	Low	81.7	Confident	239 Å²	239	76.3 Å²	76.3	90%	0.902	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-59.2	149.3	179.6	-67.1	-177.4	177.6	-178.1	-0.8	111.4	Q85 R167	Q85-R87 PolarHBondContact O-N 3.18Å; R87-R167 PolarHBondContact O-NH2 3.34Å
88	A	71	Confident	81.3	Confident	58 Å²	58	74.1 Å²	74.1	48%	0.479	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-63.6	144.9	177.6	0	0	0	0	0	112.3	T90 E163 R167	A88-T90 PolarHBondContact O-N 3.04Å; A88-E163 VanDerWaalsContact CA-OE1 3.28Å; A88-E163 WeakPolarHBondContact CA-OE1 3.4Å; A88-R167 VanDerWaalsContact CA-NH2 3.31Å
89	K	80.4	Confident	81.1	Confident	89 Å²	89	76.6 Å²	76.6	39%	0.387	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-63.5	133	167.8	-69.2	-173.7	176	-173	0	108.8	L94 E97 E163	K89-L94 HydrophobicContact CB-CD2 4.02Å; K89-L94 HydrophobicContact CB-CG 4.08Å; K89-L94 HydrophobicContact CD-CD2 3.71Å; K89-E97 IonicContact NZ-OE1 3.66Å; K89-E97 PolarHBondContact NZ-OE1 3.25Å; K89-E97 IonicContact NZ-OE2 3.66Å; K89-E97 PolarHBondContact NZ-OE2 3.43Å; K89-E163 PolarHBondContact N-OE1 3.27Å; K89-E163 PolarHBondContact N-OE2 3.08Å
90	T	88.3	Confident	80.9	Confident	90 Å²	90	78.2 Å²	78.2	55%	0.552	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-70.8	151.4	173.2	58.7	0	0	0	0	109.7	A88 L92 R93 L94	A88-T90 PolarHBondContact O-N 3.04Å; T90-L92 PolarHBondContact O-N 2.97Å; T90-R93 WeakPolarHBondContact O-CA 3.38Å; T90-R93 WeakPolarHBondContact O-CB 3.44Å; T90-R93 PolarHBondContact O-N 2.81Å; T90-R93 WeakPolarHBondContact OG1-CB 3.46Å; T90-R93 PolarHBondContact OG1-N 3.21Å; T90-L94 PolarHBondContact O-N 2.9Å; T90-L94 VanDerWaalsContact O-N 3.1Å
91	F	88.5	Confident	80.3	Confident	58 Å²	58	79.9 Å²	79.9	25%	0.254	39%	0.392	S	S	.	.	H	α-helix	trans	-54.2	-42.1	177.7	177.9	-104.1	0	0	0	112.4	R93 L94 M95 F153 A156 L157 W160	F91-R93 VanDerWaalsContact C-N 3.29Å; F91-R93 PolarHBondContact O-N 3.28Å; F91-L94 PolarHBondContact O-N 3.27Å; F91-L94 VanDerWaalsContact O-N 3.14Å; F91-M95 HydrophobicContact CD1-CG 4.45Å; F91-M95 HydrophobicContact CD1-SD 4.06Å; F91-M95 HydrophobicContact CE1-CG 4.02Å; F91-M95 HydrophobicContact CE1-SD 3.41Å; F91-M95 WeakPolarHBondContact CE1-SD 3.35Å; F91-M95 HydrophobicContact CZ-CG 4.12Å; F91-M95 HydrophobicContact CZ-SD 3.92Å; F91-M95 PolarHBondContact O-N 2.84Å; F91-F153 HydrophobicContact CE1-CD2 4.05Å; F91-F153 AromaticContact CE1-CE2 3.77Å; F91-F153 HydrophobicContact CE1-CE2 3.77Å; F91-F153 AromaticContact CZ-CD2 3.71Å; F91-F153 HydrophobicContact CZ-CD2 3.71Å; F91-F153 AromaticContact CZ-CE2 3.55Å; F91-F153 HydrophobicContact CZ-CE2 3.55Å; F91-F153 HydrophobicContact CZ-CG 4.45Å; F91-F153 HydrophobicContact CZ-CZ 4.18Å; F91-A156 HydrophobicContact CE2-CB 3.96Å; F91-A156 HydrophobicContact CZ-CB 4.35Å; F91-L157 HydrophobicContact CE2-CB 4.11Å; F91-W160 HydrophobicContact CD2-CB 4.18Å; F91-W160 HydrophobicContact CD2-CG 4.42Å
92	L	89.9	Confident	79.5	Confident	132 Å²	132	84 Å²	84	69%	0.691	41%	0.414	S	S	*	.	H	α-helix	trans	-61.3	-33.7	174.3	-63.7	175.9	0	0	0	113.1	T90 W96	T90-L92 PolarHBondContact O-N 2.97Å; L92-W96 WeakPolarHBondContact O-CB 3.28Å; L92-W96 PolarHBondContact O-N 2.85Å
93	R	89.8	Confident	78.9	Confident	120 Å²	120	81.2 Å²	81.2	45%	0.453	40%	0.397	S	S	.	.	H	α-helix	trans	-71.2	-34.9	175.7	179.9	59.5	-169	-155.9	2.5	111.8	T90 F91 W96 E97	T90-R93 WeakPolarHBondContact O-CA 3.38Å; T90-R93 WeakPolarHBondContact O-CB 3.44Å; T90-R93 PolarHBondContact O-N 2.81Å; T90-R93 WeakPolarHBondContact OG1-CB 3.46Å; T90-R93 PolarHBondContact OG1-N 3.21Å; F91-R93 VanDerWaalsContact C-N 3.29Å; F91-R93 PolarHBondContact O-N 3.28Å; R93-W96 PolarHBondContact O-N 2.91Å; R93-E97 IonicContact CZ-OE1 3.6Å; R93-E97 VanDerWaalsContact CZ-OE1 3.23Å; R93-E97 IonicContact NE-OE1 3.82Å; R93-E97 PolarHBondContact NE-OE1 3.34Å; R93-E97 IonicContact NH2-OE1 2.76Å; R93-E97 PolarHBondContact NH2-OE1 3.01Å; R93-E97 WeakPolarHBondContact O-CG 3.46Å; R93-E97 PolarHBondContact O-N 2.7Å
94	L	85.3	Confident	79.1	Confident	11 Å²	11	78.5 Å²	78.5	6%	0.058	38%	0.383	C	S	.	.	H	α-helix	trans	-68.3	-42.3	173.8	-65.1	170.9	0	0	0	111.4	K89 T90 F91 W96 E97 A98 A156 D159 W160	K89-L94 HydrophobicContact CB-CD2 4.02Å; K89-L94 HydrophobicContact CB-CG 4.08Å; K89-L94 HydrophobicContact CD-CD2 3.71Å; T90-L94 PolarHBondContact O-N 2.9Å; T90-L94 VanDerWaalsContact O-N 3.1Å; F91-L94 PolarHBondContact O-N 3.27Å; F91-L94 VanDerWaalsContact O-N 3.14Å; L94-W96 VanDerWaalsContact C-N 3.32Å; L94-W96 PolarHBondContact O-N 3.44Å; L94-E97 PolarHBondContact O-N 3.19Å; L94-A98 PolarHBondContact O-N 2.76Å; L94-A156 HydrophobicContact CB-CB 4.18Å; L94-D159 HydrophobicContact CD2-CB 4.49Å; L94-W160 HydrophobicContact CD1-CB 3.76Å
95	M	87.1	Confident	79.9	Confident	22 Å²	22	77.2 Å²	77.2	11%	0.108	37%	0.37	C	S	.	.	H	α-helix	trans	-58.3	-42.6	170.9	-69.1	-174.6	77	0	0	112.2	F91 E97 A98 L99 F149 V152 F153 A156	F91-M95 HydrophobicContact CD1-CG 4.45Å; F91-M95 HydrophobicContact CD1-SD 4.06Å; F91-M95 HydrophobicContact CE1-CG 4.02Å; F91-M95 HydrophobicContact CE1-SD 3.41Å; F91-M95 WeakPolarHBondContact CE1-SD 3.35Å; F91-M95 HydrophobicContact CZ-CG 4.12Å; F91-M95 HydrophobicContact CZ-SD 3.92Å; F91-M95 PolarHBondContact O-N 2.84Å; M95-E97 VanDerWaalsContact C-N 3.3Å; M95-E97 PolarHBondContact O-N 3.29Å; M95-A98 PolarHBondContact O-N 3.32Å; M95-L99 WeakPolarHBondContact O-CB 3.37Å; M95-L99 WeakPolarHBondContact O-CG 3.42Å; M95-L99 PolarHBondContact O-N 3.46Å; M95-F149 HydrophobicContact CE-CD2 4.43Å; M95-F149 HydrophobicContact CE-CE2 3.77Å; M95-F149 HydrophobicContact CE-CZ 4.18Å; M95-V152 HydrophobicContact CB-CG1 4.24Å; M95-V152 HydrophobicContact CE-CG1 4.14Å; M95-V152 HydrophobicContact CG-CG1 4.49Å; M95-F153 HydrophobicContact CE-CB 4.33Å; M95-F153 HydrophobicContact CE-CD2 4.19Å; M95-F153 HydrophobicContact SD-CD2 4.37Å; M95-A156 HydrophobicContact CB-CB 4.24Å; M95-A156 HydrophobicContact CG-CB 3.46Å; M95-A156 VanDerWaalsContact CG-CB 3.46Å
96	W	90.6	Very high	80.3	Confident	155 Å²	155	76.5 Å²	76.5	59%	0.587	37%	0.371	S	S	*	.	H	α-helix	trans	-68.9	-24.6	178	-173.9	-101.9	0	0	0	114	L92 R93 L94 Q100	L92-W96 WeakPolarHBondContact O-CB 3.28Å; L92-W96 PolarHBondContact O-N 2.85Å; R93-W96 PolarHBondContact O-N 2.91Å; L94-W96 VanDerWaalsContact C-N 3.32Å; L94-W96 PolarHBondContact O-N 3.44Å; W96-Q100 WeakPolarHBondContact O-CG 3.4Å; W96-Q100 PolarHBondContact O-NE2 3.26Å
97	E	83.4	Confident	80.9	Confident	58 Å²	58	71.7 Å²	71.7	27%	0.271	35%	0.348	S	S	.	.	H	α-helix	trans	-82.9	-36.9	173.5	-74.5	174.8	178.8	0	0	111.6	K89 R93 L94 M95 L99 Q100	K89-E97 IonicContact NZ-OE1 3.66Å; K89-E97 PolarHBondContact NZ-OE1 3.25Å; K89-E97 IonicContact NZ-OE2 3.66Å; K89-E97 PolarHBondContact NZ-OE2 3.43Å; R93-E97 IonicContact CZ-OE1 3.6Å; R93-E97 VanDerWaalsContact CZ-OE1 3.23Å; R93-E97 IonicContact NE-OE1 3.82Å; R93-E97 PolarHBondContact NE-OE1 3.34Å; R93-E97 IonicContact NH2-OE1 2.76Å; R93-E97 PolarHBondContact NH2-OE1 3.01Å; R93-E97 WeakPolarHBondContact O-CG 3.46Å; R93-E97 PolarHBondContact O-N 2.7Å; L94-E97 PolarHBondContact O-N 3.19Å; M95-E97 VanDerWaalsContact C-N 3.3Å; M95-E97 PolarHBondContact O-N 3.29Å; E97-L99 VanDerWaalsContact C-N 3.34Å; E97-L99 PolarHBondContact O-N 2.84Å; E97-Q100 PolarHBondContact O-N 2.89Å; E97-Q100 VanDerWaalsContact O-N 3.15Å
98	A	78.9	Confident	81.7	Confident	18 Å²	18	62 Å²	62	15%	0.149	31%	0.314	C	S	.	.	H	α-helix	trans	-64.1	-36.4	171.6	0	0	0	0	0	112.6	L94 M95 Q100 D101 L104 V152 V155	L94-A98 PolarHBondContact O-N 2.76Å; M95-A98 PolarHBondContact O-N 3.32Å; A98-Q100 PolarHBondContact O-N 2.9Å; A98-Q100 VanDerWaalsContact O-N 3.08Å; A98-D101 PolarHBondContact O-N 3.35Å; A98-L104 WeakPolarHBondContact O-CD1 3.45Å; A98-V152 HydrophobicContact CB-CG1 4.32Å; A98-V155 HydrophobicContact CB-CG1 4.08Å
99	L	85.3	Confident	82.3	Confident	57 Å²	57	63 Å²	63	30%	0.298	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-2.7	173	-81.4	164.4	0	0	0	114.8	M95 E97 I105 I108 V152	M95-L99 WeakPolarHBondContact O-CB 3.37Å; M95-L99 WeakPolarHBondContact O-CG 3.42Å; M95-L99 PolarHBondContact O-N 3.46Å; E97-L99 VanDerWaalsContact C-N 3.34Å; E97-L99 PolarHBondContact O-N 2.84Å; L99-I105 WeakPolarHBondContact O-CG1 3.39Å; L99-I108 HydrophobicContact CD2-CD1 3.88Å; L99-V152 HydrophobicContact CD1-CG1 4.31Å; L99-V152 HydrophobicContact CD2-CG1 4.4Å; L99-V152 HydrophobicContact CD2-CG2 3.88Å; L99-V152 HydrophobicContact CG-CG1 3.87Å; L99-V152 HydrophobicContact CG-CG2 4.05Å
100	Q	84.4	Confident	82	Confident	57 Å²	57	59.2 Å²	59.2	27%	0.266	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	5	-179.9	-73.1	177.2	47.1	0	0	114.7	W96 E97 A98	W96-Q100 WeakPolarHBondContact O-CG 3.4Å; W96-Q100 PolarHBondContact O-NE2 3.26Å; E97-Q100 PolarHBondContact O-N 2.89Å; E97-Q100 VanDerWaalsContact O-N 3.15Å; A98-Q100 PolarHBondContact O-N 2.9Å; A98-Q100 VanDerWaalsContact O-N 3.08Å
101	D	77.3	Confident	81.7	Confident	73 Å²	73	55 Å²	55	39%	0.39	27%	0.273	S	S	.	.			trans	-67	139	167.8	-151.6	-52.7	0	0	0	110.7	A98 T103 L104 I105	A98-D101 PolarHBondContact O-N 3.35Å; D101-T103 VanDerWaalsContact C-N 3.25Å; D101-T103 PolarHBondContact O-N 2.95Å; D101-T103 PolarHBondContact OD1-N 3.48Å; D101-T103 PolarHBondContact OD1-OG1 3.27Å; D101-L104 HydrophobicContact CB-CD1 4.22Å; D101-L104 PolarHBondContact O-N 2.99Å; D101-I105 WeakPolarHBondContact O-CB 3.46Å; D101-I105 VanDerWaalsContact O-CG1 3.25Å; D101-I105 WeakPolarHBondContact O-CG1 3.36Å; D101-I105 PolarHBondContact O-N 2.92Å
102	L	72.6	Confident	81.5	Confident	102 Å²	102	57.9 Å²	57.9	53%	0.534	29%	0.286	S	S	.	.	H	α-helix	trans	-64.8	-31.2	176.9	-174.4	63	0	0	0	111.4	V106	L102-V106 HydrophobicContact CD1-CG2 4.21Å; L102-V106 HydrophobicContact CG-CG2 4.46Å; L102-V106 WeakPolarHBondContact O-CB 3.45Å; L102-V106 VanDerWaalsContact O-CG2 3.24Å; L102-V106 WeakPolarHBondContact O-CG2 3.27Å; L102-V106 PolarHBondContact O-N 3.46Å
103	T	71.9	Confident	81.1	Confident	22 Å²	22	55.4 Å²	55.4	14%	0.135	27%	0.273	C	S	.	.	H	α-helix	trans	-60.5	-54.7	175.1	56.2	0	0	0	0	110.7	D101 V106 L107 E420	D101-T103 VanDerWaalsContact C-N 3.25Å; D101-T103 PolarHBondContact O-N 2.95Å; D101-T103 PolarHBondContact OD1-N 3.48Å; D101-T103 PolarHBondContact OD1-OG1 3.27Å; T103-V106 PolarHBondContact O-N 3.23Å; T103-L107 WeakPolarHBondContact O-CB 3.04Å; T103-L107 PolarHBondContact O-N 2.89Å; T103-L107 VanDerWaalsContact O-N 3.09Å; T103-E420 PolarHBondContact OG1-OE1 2.87Å
104	L	76.9	Confident	80.4	Confident	13 Å²	13	49.7 Å²	49.7	7%	0.068	25%	0.251	C	S	.	.	H	α-helix	trans	-65.9	-41	179.7	-68.8	165.1	0	0	0	112.1	A98 D101 L107 I108 V148 V152	A98-L104 WeakPolarHBondContact O-CD1 3.45Å; D101-L104 HydrophobicContact CB-CD1 4.22Å; D101-L104 PolarHBondContact O-N 2.99Å; L104-L107 PolarHBondContact O-N 2.94Å; L104-I108 WeakPolarHBondContact O-CB 3.41Å; L104-I108 WeakPolarHBondContact O-CD1 3.42Å; L104-I108 WeakPolarHBondContact O-CG1 3.47Å; L104-I108 PolarHBondContact O-N 3.24Å; L104-V148 HydrophobicContact CD2-CG1 4.17Å; L104-V148 HydrophobicContact CD2-CG2 4.37Å; L104-V152 HydrophobicContact CD1-CG2 4.22Å
105	I	82.5	Confident	80.3	Confident	70 Å²	70	50.7 Å²	50.7	36%	0.359	26%	0.256	S	S	.	.	H	α-helix	trans	-60.6	-46.9	175.7	-72.6	166.4	0	0	0	111.4	L99 D101 L107 I108 V109	L99-I105 WeakPolarHBondContact O-CG1 3.39Å; D101-I105 WeakPolarHBondContact O-CB 3.46Å; D101-I105 VanDerWaalsContact O-CG1 3.25Å; D101-I105 WeakPolarHBondContact O-CG1 3.36Å; D101-I105 PolarHBondContact O-N 2.92Å; I105-L107 VanDerWaalsContact C-N 3.3Å; I105-L107 PolarHBondContact O-N 3.47Å; I105-I108 PolarHBondContact O-N 2.99Å; I105-V109 WeakPolarHBondContact O-CG2 3.31Å; I105-V109 PolarHBondContact O-N 2.93Å
106	V	74.4	Confident	80	Confident	62 Å²	62	52.4 Å²	52.4	38%	0.376	27%	0.274	S	S	.	.	H	α-helix	trans	-63.8	-39.1	179.4	170	0	0	0	0	110.9	L102 T103 V109 A110 V411	L102-V106 HydrophobicContact CD1-CG2 4.21Å; L102-V106 HydrophobicContact CG-CG2 4.46Å; L102-V106 WeakPolarHBondContact O-CB 3.45Å; L102-V106 VanDerWaalsContact O-CG2 3.24Å; L102-V106 WeakPolarHBondContact O-CG2 3.27Å; L102-V106 PolarHBondContact O-N 3.46Å; T103-V106 PolarHBondContact O-N 3.23Å; V106-V109 PolarHBondContact O-N 3.5Å; V106-A110 WeakPolarHBondContact O-CB 3.06Å; V106-A110 PolarHBondContact O-N 2.84Å; V106-V411 HydrophobicContact CG1-CG1 4.04Å; V106-V411 HydrophobicContact CG1-CG2 3.67Å
107	L	73.9	Confident	79.2	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.4	-41.5	176	-174.7	61.9	0	0	0	112.5	T103 L104 I105 A110 A111 I144 V148 V411 L889	T103-L107 WeakPolarHBondContact O-CB 3.04Å; T103-L107 PolarHBondContact O-N 2.89Å; T103-L107 VanDerWaalsContact O-N 3.09Å; L104-L107 PolarHBondContact O-N 2.94Å; I105-L107 VanDerWaalsContact C-N 3.3Å; I105-L107 PolarHBondContact O-N 3.47Å; L107-A110 PolarHBondContact O-N 3.08Å; L107-A111 WeakPolarHBondContact O-CB 3.34Å; L107-A111 PolarHBondContact O-N 3.45Å; L107-I144 HydrophobicContact CD1-CG2 3.82Å; L107-I144 HydrophobicContact CD2-CG2 4.37Å; L107-I144 HydrophobicContact CG-CG2 3.86Å; L107-V148 HydrophobicContact CD2-CG2 3.59Å; L107-V148 HydrophobicContact CG-CG2 4.05Å; L107-V411 HydrophobicContact CB-CG1 4.11Å; L107-V411 HydrophobicContact CD1-CG1 4.15Å; L107-L889 HydrophobicContact CD2-CD1 4.06Å; L107-L889 HydrophobicContact CD2-CD2 3.82Å
108	I	84	Confident	78.7	Confident	35 Å²	35	43.9 Å²	43.9	18%	0.179	24%	0.243	C	C	.	.	H	α-helix	trans	-60.4	-46.9	173.5	-70.9	162.1	0	0	0	110.7	L99 L104 I105 A111 F112 L145 V148	L99-I108 HydrophobicContact CD2-CD1 3.88Å; L104-I108 WeakPolarHBondContact O-CB 3.41Å; L104-I108 WeakPolarHBondContact O-CD1 3.42Å; L104-I108 WeakPolarHBondContact O-CG1 3.47Å; L104-I108 PolarHBondContact O-N 3.24Å; I105-I108 PolarHBondContact O-N 2.99Å; I108-A111 PolarHBondContact O-N 3.04Å; I108-F112 HydrophobicContact CG2-CD2 3.84Å; I108-F112 HydrophobicContact CG2-CE2 4.04Å; I108-F112 WeakPolarHBondContact O-CD2 3.41Å; I108-F112 PolarHBondContact O-N 3.1Å; I108-L145 HydrophobicContact CG2-CD2 4.18Å; I108-V148 HydrophobicContact CD1-CG1 3.89Å; I108-V148 HydrophobicContact CG1-CG1 3.78Å
109	V	83.9	Confident	78.6	Confident	78 Å²	78	46.5 Å²	46.5	47%	0.473	25%	0.254	S	S	.	.	H	α-helix	trans	-62.5	-43.9	178.5	170.2	0	0	0	0	110.9	I105 V106 F112 I113	I105-V109 WeakPolarHBondContact O-CG2 3.31Å; I105-V109 PolarHBondContact O-N 2.93Å; V106-V109 PolarHBondContact O-N 3.5Å; V109-F112 PolarHBondContact O-N 2.84Å; V109-I113 HydrophobicContact CG1-CD1 3.83Å; V109-I113 VanDerWaalsContact O-CG1 3.28Å; V109-I113 WeakPolarHBondContact O-CG1 3.42Å; V109-I113 PolarHBondContact O-N 3.12Å
110	A	74.1	Confident	78	Confident	10 Å²	10	51.3 Å²	51.3	8%	0.083	27%	0.269	C	S	.	.	H	α-helix	trans	-64.5	-39.9	177.2	0	0	0	0	0	112.4	V106 L107 I113 S114 I408	V106-A110 WeakPolarHBondContact O-CB 3.06Å; V106-A110 PolarHBondContact O-N 2.84Å; L107-A110 PolarHBondContact O-N 3.08Å; A110-I113 PolarHBondContact O-N 2.83Å; A110-S114 PolarHBondContact O-N 2.84Å; A110-I408 HydrophobicContact CB-CD1 4.47Å; A110-I408 HydrophobicContact CB-CG1 3.76Å
111	A	80.3	Confident	77.2	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-64.5	-42.2	175.1	0	0	0	0	0	112.3	L107 I108 I113 S114 L115 I144 L145	L107-A111 WeakPolarHBondContact O-CB 3.34Å; L107-A111 PolarHBondContact O-N 3.45Å; I108-A111 PolarHBondContact O-N 3.04Å; A111-I113 VanDerWaalsContact C-N 3.35Å; A111-I113 PolarHBondContact O-N 3.02Å; A111-S114 PolarHBondContact O-N 3.32Å; A111-L115 VanDerWaalsContact O-CB 3.29Å; A111-L115 WeakPolarHBondContact O-CB 3.39Å; A111-L115 PolarHBondContact O-N 3.47Å; A111-I144 HydrophobicContact CB-CB 4Å; A111-I144 HydrophobicContact CB-CG2 3.73Å; A111-L145 HydrophobicContact CB-CD2 4.02Å; A111-L145 HydrophobicContact CB-CG 3.92Å
112	F	85.7	Confident	76.6	Confident	120 Å²	120	53.3 Å²	53.3	53%	0.526	28%	0.276	S	S	.	.	H	α-helix	trans	-62.2	-39.2	172.6	-95.9	-75.7	0	0	0	112.6	I108 V109 A116 L145	I108-F112 HydrophobicContact CG2-CD2 3.84Å; I108-F112 HydrophobicContact CG2-CE2 4.04Å; I108-F112 WeakPolarHBondContact O-CD2 3.41Å; I108-F112 PolarHBondContact O-N 3.1Å; V109-F112 PolarHBondContact O-N 2.84Å; F112-A116 WeakPolarHBondContact O-CB 3.15Å; F112-A116 PolarHBondContact O-N 3.49Å; F112-L145 HydrophobicContact CD2-CD1 4.48Å; F112-L145 HydrophobicContact CD2-CD2 4.03Å; F112-L145 HydrophobicContact CE2-CD1 4.31Å; F112-L145 HydrophobicContact CE2-CD2 3.96Å; F112-L145 HydrophobicContact CZ-CD1 4.48Å
113	I	80.3	Confident	76.2	Confident	80 Å²	80	57.8 Å²	57.8	41%	0.41	29%	0.287	S	S	.	.	H	α-helix	trans	-67.6	-43.7	176.7	-68.2	165.5	0	0	0	111.1	V109 A110 A111 A116 L117 V404	V109-I113 HydrophobicContact CG1-CD1 3.83Å; V109-I113 VanDerWaalsContact O-CG1 3.28Å; V109-I113 WeakPolarHBondContact O-CG1 3.42Å; V109-I113 PolarHBondContact O-N 3.12Å; A110-I113 PolarHBondContact O-N 2.83Å; A111-I113 VanDerWaalsContact C-N 3.35Å; A111-I113 PolarHBondContact O-N 3.02Å; I113-A116 PolarHBondContact O-N 2.82Å; I113-L117 HydrophobicContact CG2-CD1 3.95Å; I113-L117 HydrophobicContact CG2-CG 4.49Å; I113-L117 WeakPolarHBondContact O-CB 3.41Å; I113-L117 WeakPolarHBondContact O-CG 3.36Å; I113-L117 PolarHBondContact O-N 2.95Å; I113-V404 HydrophobicContact CG2-CG1 4.1Å; I113-V404 HydrophobicContact CG2-CG2 3.94Å
114	S	76.2	Confident	75.4	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.6	-41.7	176.3	175.5	0	0	0	0	112.4	A110 A111 L117 S118	A110-S114 PolarHBondContact O-N 2.84Å; A111-S114 PolarHBondContact O-N 3.32Å; S114-L117 PolarHBondContact O-N 2.85Å; S114-S118 VanDerWaalsContact O-CB 3.31Å; S114-S118 WeakPolarHBondContact O-CB 3.49Å; S114-S118 PolarHBondContact O-N 3.37Å; S114-S118 PolarHBondContact O-OG 3.32Å
115	L	82.8	Confident	73.8	Confident	31 Å²	31	67.1 Å²	67.1	16%	0.162	34%	0.337	C	S	.	.	H	α-helix	trans	-62.3	-44.8	173.4	-178.3	62.2	0	0	0	111.4	A111 S118 L119 W138 L145	A111-L115 VanDerWaalsContact O-CB 3.29Å; A111-L115 WeakPolarHBondContact O-CB 3.39Å; A111-L115 PolarHBondContact O-N 3.47Å; L115-S118 PolarHBondContact O-N 3.04Å; L115-L119 HydrophobicContact CD1-CD1 4.25Å; L115-L119 HydrophobicContact CD1-CG 4.44Å; L115-L119 HydrophobicContact CG-CD1 4.14Å; L115-L119 WeakPolarHBondContact O-CB 3.15Å; L115-L119 VanDerWaalsContact O-CG 3.3Å; L115-L119 WeakPolarHBondContact O-CG 3.34Å; L115-L119 PolarHBondContact O-N 3.03Å; L115-W138 HydrophobicContact CD1-CB 3.99Å; L115-L145 HydrophobicContact CD2-CD1 4.3Å
116	A	80.8	Confident	71.9	Confident	58 Å²	58	66.9 Å²	66.9	48%	0.479	35%	0.345	S	S	.	.	H	α-helix	trans	-65.1	-41.5	178.1	0	0	0	0	0	112.8	F112 I113 L119 Y120	F112-A116 WeakPolarHBondContact O-CB 3.15Å; F112-A116 PolarHBondContact O-N 3.49Å; I113-A116 PolarHBondContact O-N 2.82Å; A116-L119 PolarHBondContact O-N 3.5Å; A116-Y120 VanDerWaalsContact O-CB 3.29Å; A116-Y120 WeakPolarHBondContact O-CB 3.33Å; A116-Y120 PolarHBondContact O-N 3.39Å
117	L	72.8	Confident	70.3	Confident	24 Å²	24	70.1 Å²	70.1	13%	0.126	37%	0.368	C	S	.	.	H	α-helix	trans	-64.9	-41.8	174.5	-76.9	168.6	0	0	0	111.8	I113 S114 Y120 I121 L400 V404	I113-L117 HydrophobicContact CG2-CD1 3.95Å; I113-L117 HydrophobicContact CG2-CG 4.49Å; I113-L117 WeakPolarHBondContact O-CB 3.41Å; I113-L117 WeakPolarHBondContact O-CG 3.36Å; I113-L117 PolarHBondContact O-N 2.95Å; S114-L117 PolarHBondContact O-N 2.85Å; L117-Y120 PolarHBondContact O-N 2.93Å; L117-I121 WeakPolarHBondContact O-CG1 3.17Å; L117-I121 PolarHBondContact O-N 2.94Å; L117-L400 HydrophobicContact CD1-CG 4.31Å; L117-L400 HydrophobicContact CD2-CD2 4.06Å; L117-L400 HydrophobicContact CD2-CG 4.4Å; L117-V404 HydrophobicContact CD1-CB 4.14Å; L117-V404 HydrophobicContact CD1-CG1 4.39Å; L117-V404 HydrophobicContact CD1-CG2 3.75Å
118	S	73.1	Confident	68.7	Low	10 Å²	10	75.6 Å²	75.6	7%	0.07	40%	0.401	C	S	.	.	H	α-helix	trans	-67.4	-36.9	178.7	-59.8	0	0	0	0	112.2	S114 L115 K122 G137	S114-S118 VanDerWaalsContact O-CB 3.31Å; S114-S118 WeakPolarHBondContact O-CB 3.49Å; S114-S118 PolarHBondContact O-N 3.37Å; S114-S118 PolarHBondContact O-OG 3.32Å; L115-S118 PolarHBondContact O-N 3.04Å; S118-K122 WeakPolarHBondContact O-CB 3.4Å; S118-K122 PolarHBondContact O-N 2.9Å; S118-K122 VanDerWaalsContact O-N 3.17Å; S118-G137 PolarHBondContact OG-O 3.15Å
119	L	77.5	Confident	66.7	Low	73 Å²	73	79.9 Å²	79.9	38%	0.382	42%	0.419	S	S	.	.	H	α-helix	trans	-69.1	-39.2	170.4	-70.4	170.2	0	0	0	112	L115 A116 K122 Y123	L115-L119 HydrophobicContact CD1-CD1 4.25Å; L115-L119 HydrophobicContact CD1-CG 4.44Å; L115-L119 HydrophobicContact CG-CD1 4.14Å; L115-L119 WeakPolarHBondContact O-CB 3.15Å; L115-L119 VanDerWaalsContact O-CG 3.3Å; L115-L119 WeakPolarHBondContact O-CG 3.34Å; L115-L119 PolarHBondContact O-N 3.03Å; A116-L119 PolarHBondContact O-N 3.5Å; L119-K122 PolarHBondContact O-N 3.01Å; L119-Y123 HydrophobicContact CD2-CE2 4.39Å; L119-Y123 WeakPolarHBondContact O-CD2 3.27Å; L119-Y123 PolarHBondContact O-N 3.15Å
120	Y	73.7	Confident	64.7	Low	159 Å²	159	82.5 Å²	82.5	62%	0.624	43%	0.43	S	S	*	.	H	α-helix	trans	-63.6	-41.8	177	-178.9	-99.4	0	0	0	112.1	A116 L117 K122 Y123 G124	A116-Y120 VanDerWaalsContact O-CB 3.29Å; A116-Y120 WeakPolarHBondContact O-CB 3.33Å; A116-Y120 PolarHBondContact O-N 3.39Å; L117-Y120 PolarHBondContact O-N 2.93Å; Y120-K122 VanDerWaalsContact C-N 3.3Å; Y120-K122 PolarHBondContact O-N 2.63Å; Y120-Y123 PolarHBondContact O-N 3.19Å; Y120-G124 WeakPolarHBondContact O-CA 3.45Å; Y120-G124 PolarHBondContact O-N 3.41Å
121	I	67.2	Low	63.3	Low	75 Å²	75	90 Å²	90	39%	0.385	46%	0.464	S	S	.	.	H	α-helix	trans	-65	-34.9	174.3	-67.7	163.6	0	0	0	111	L117 K401	L117-I121 WeakPolarHBondContact O-CG1 3.17Å; L117-I121 PolarHBondContact O-N 2.94Å; I121-K401 HydrophobicContact CD1-CB 4.31Å; I121-K401 HydrophobicContact CD1-CD 4.11Å
122	K	64.6	Low	61.6	Low	96 Å²	96	93.4 Å²	93.4	42%	0.417	49%	0.487	S	S	.	.	H	α-helix	trans	-73	-28.3	179.4	-172.3	168.8	-171.4	150.4	0	114.6	S118 L119 Y120 G134	S118-K122 WeakPolarHBondContact O-CB 3.4Å; S118-K122 PolarHBondContact O-N 2.9Å; S118-K122 VanDerWaalsContact O-N 3.17Å; L119-K122 PolarHBondContact O-N 3.01Å; Y120-K122 VanDerWaalsContact C-N 3.3Å; Y120-K122 PolarHBondContact O-N 2.63Å; K122-G134 WeakPolarHBondContact CD-O 3.36Å; K122-G134 PolarHBondContact NZ-O 3.05Å
123	Y	63.8	Low	59.6	Low	196 Å²	196	91.5 Å²	91.5	77%	0.769	48%	0.48	S	S	*	.	H	α-helix	trans	-111	-12.7	-178.3	-74.3	-77.4	0	0	0	114.3	L119 Y120	L119-Y123 HydrophobicContact CD2-CE2 4.39Å; L119-Y123 WeakPolarHBondContact O-CD2 3.27Å; L119-Y123 PolarHBondContact O-N 3.15Å; Y120-Y123 PolarHBondContact O-N 3.19Å
124	G	54.4	Low	58	Low	29 Å²	29	89.3 Å²	89.3	30%	0.299	48%	0.477	S	S	.	.	S	Bend	trans	-86.1	134.6	175.2	0	0	0	0	0	112	Y120 A126	Y120-G124 WeakPolarHBondContact O-CA 3.45Å; Y120-G124 PolarHBondContact O-N 3.41Å; G124-A126 PolarHBondContact O-N 3.09Å
125	Q	44.4	Very low	56.9	Low	203 Å²	203	95.5 Å²	95.5	95%	0.949	51%	0.506	S	S	*	.			trans	-66.7	101.5	-174.4	-65.9	172.8	-56.3	0	0	112.7
126	A	41.9	Very low	55.7	Low	65 Å²	65	95.4 Å²	95.4	54%	0.537	51%	0.509	S	S	.	.			trans	-132.7	90.8	169.3	0	0	0	0	0	109.3	G124 T128	G124-A126 PolarHBondContact O-N 3.09Å; A126-T128 PolarHBondContact O-N 3.42Å
127	P	40.9	Very low	54.9	Low	130 Å²	130	93.2 Å²	93.2	84%	0.844	49%	0.493	S	S	*	.			trans	-82.6	38.8	-161.5	34.7	-38.4	0	0	0	114.6
128	T	40.7	Very low	55	Low	115 Å²	115	97 Å²	97	71%	0.706	51%	0.505	S	S	*	.	S	Bend	trans	-148.6	32.3	-169	64.6	0	0	0	0	114.7	A126	A126-T128 PolarHBondContact O-N 3.42Å
129	F	41.2	Very low	55.2	Low	124 Å²	124	98.6 Å²	98.6	54%	0.544	51%	0.513	S	S	.	.	S	Bend	trans	-134.4	143.1	179.5	-96.3	-92.8	0	0	0	112.3	E133	F129-E133 WeakPolarHBondContact CD1-OE2 3.31Å; F129-E133 WeakPolarHBondContact CE1-OE2 3.48Å
130	D	42.3	Very low	54.9	Low	133 Å²	133	96.6 Å²	96.6	71%	0.711	50%	0.502	S	S	*	.			trans	-61.1	139.6	-178.8	-72.3	-62.8	0	0	0	112.5	S132 E133	D130-S132 PolarHBondContact O-N 2.89Å; D130-E133 PolarHBondContact O-N 2.86Å
131	E	43.9	Very low	55.1	Low	169 Å²	169	89 Å²	89	79%	0.79	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.8	-177.1	-62.3	-166.5	129.1	0	0	113.6	Q135	E131-Q135 WeakPolarHBondContact O-CG 3.24Å
132	S	45.4	Very low	55.9	Low	71 Å²	71	88.5 Å²	88.5	50%	0.497	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-47.4	177.4	-164.8	0	0	0	0	112.8	D130 G134 Q135	D130-S132 PolarHBondContact O-N 2.89Å; S132-G134 VanDerWaalsContact C-N 3.28Å; S132-G134 PolarHBondContact O-N 3.39Å; S132-Q135 PolarHBondContact O-N 3.25Å
133	E	42.9	Very low	56.7	Low	81 Å²	81	84.5 Å²	84.5	38%	0.379	46%	0.455	S	S	.	.	H	α-helix	trans	-62.5	-35.5	-175.1	-70.3	-151.9	148	0	0	112.4	F129 D130 Q135 G137	F129-E133 WeakPolarHBondContact CD1-OE2 3.31Å; F129-E133 WeakPolarHBondContact CE1-OE2 3.48Å; D130-E133 PolarHBondContact O-N 2.86Å; E133-Q135 VanDerWaalsContact C-N 3.27Å; E133-Q135 PolarHBondContact O-N 3.41Å; E133-G137 PolarHBondContact O-N 2.72Å
134	G	47.7	Very low	57.5	Low	34 Å²	34	75.2 Å²	75.2	35%	0.351	42%	0.418	S	S	.	.	H	α-helix	trans	-72.6	-12.9	178.7	0	0	0	0	0	115	K122 S132	K122-G134 WeakPolarHBondContact CD-O 3.36Å; K122-G134 PolarHBondContact NZ-O 3.05Å; S132-G134 VanDerWaalsContact C-N 3.28Å; S132-G134 PolarHBondContact O-N 3.39Å
135	Q	53	Low	58.9	Low	129 Å²	129	75.5 Å²	75.5	60%	0.603	41%	0.413	S	S	*	.	H	α-helix	trans	-90.7	-33.5	179.4	-71.1	-169.8	46.5	0	0	113.3	E131 S132 E133 W138	E131-Q135 WeakPolarHBondContact O-CG 3.24Å; S132-Q135 PolarHBondContact O-N 3.25Å; E133-Q135 VanDerWaalsContact C-N 3.27Å; E133-Q135 PolarHBondContact O-N 3.41Å; Q135-W138 PolarHBondContact O-NE1 3.36Å
136	A	58.2	Low	60.9	Low	29 Å²	29	70.4 Å²	70.4	24%	0.24	39%	0.391	C	S	.	.	H	α-helix	trans	-90.3	-30.5	-177.9	0	0	0	0	0	114.6	W138 I139	A136-W138 VanDerWaalsContact C-N 3.3Å; A136-W138 PolarHBondContact O-N 3.13Å; A136-I139 VanDerWaalsContact O-CB 3.28Å; A136-I139 WeakPolarHBondContact O-CB 3.48Å; A136-I139 WeakPolarHBondContact O-CG1 3.28Å; A136-I139 PolarHBondContact O-N 3.26Å
137	G	62.8	Low	62.8	Low	13 Å²	13	68.2 Å²	68.2	13%	0.134	37%	0.373	C	S	.	.	H	α-helix	trans	-58.2	-28.6	-165	0	0	0	0	0	117.3	S118 E133 I139	S118-G137 PolarHBondContact OG-O 3.15Å; E133-G137 PolarHBondContact O-N 2.72Å; G137-I139 VanDerWaalsContact C-N 3.33Å
138	W	75.9	Confident	64.8	Low	102 Å²	102	62.2 Å²	62.2	39%	0.386	33%	0.334	S	S	.	.	H	α-helix	trans	-75.8	-19.6	177.4	67.2	-76	0	0	0	113.6	L115 Q135 A136 L142	L115-W138 HydrophobicContact CD1-CB 3.99Å; Q135-W138 PolarHBondContact O-NE1 3.36Å; A136-W138 VanDerWaalsContact C-N 3.3Å; A136-W138 PolarHBondContact O-N 3.13Å; W138-L142 HydrophobicContact CE3-CD2 4.13Å; W138-L142 HydrophobicContact CZ3-CD2 3.57Å; W138-L142 PolarHBondContact O-N 2.89Å
139	I	76.5	Confident	67	Low	44 Å²	44	62.6 Å²	62.6	23%	0.226	33%	0.326	C	S	.	.	H	α-helix	trans	-67.4	-40.3	-176.4	-57.7	175.3	0	0	0	110.3	A136 G137 G141 L142 A143	A136-I139 VanDerWaalsContact O-CB 3.28Å; A136-I139 WeakPolarHBondContact O-CB 3.48Å; A136-I139 WeakPolarHBondContact O-CG1 3.28Å; A136-I139 PolarHBondContact O-N 3.26Å; G137-I139 VanDerWaalsContact C-N 3.33Å; I139-G141 PolarHBondContact O-N 3.33Å; I139-L142 PolarHBondContact O-N 2.99Å; I139-A143 WeakPolarHBondContact O-CB 3.39Å; I139-A143 PolarHBondContact O-N 3.49Å
140	E	71.4	Confident	69.1	Low	32 Å²	32	59.7 Å²	59.7	15%	0.15	32%	0.318	C	S	.	.	H	α-helix	trans	-58	-50.1	179.5	-175.9	170.5	-134.1	0	0	111.6	A143 I144 N405	E140-A143 PolarHBondContact O-N 3.44Å; E140-I144 WeakPolarHBondContact O-CG1 3.44Å; E140-I144 PolarHBondContact O-N 2.86Å; E140-N405 PolarHBondContact OE2-ND2 3.37Å
141	G	77.5	Confident	70.8	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.8	-39.7	177.8	0	0	0	0	0	113.7	I139 L145	I139-G141 PolarHBondContact O-N 3.33Å; G141-L145 PolarHBondContact O-N 3.21Å
142	L	84.6	Confident	72.7	Confident	63 Å²	63	46.3 Å²	46.3	33%	0.33	25%	0.253	S	S	.	.	H	α-helix	trans	-71.6	-40.3	177.6	-180	60.8	0	0	0	112.4	W138 I139 I144 L145 I146	W138-L142 HydrophobicContact CE3-CD2 4.13Å; W138-L142 HydrophobicContact CZ3-CD2 3.57Å; W138-L142 PolarHBondContact O-N 2.89Å; I139-L142 PolarHBondContact O-N 2.99Å; L142-I144 VanDerWaalsContact C-N 3.3Å; L142-I144 PolarHBondContact O-N 2.91Å; L142-L145 WeakPolarHBondContact O-CB 3.31Å; L142-L145 PolarHBondContact O-N 3.45Å; L142-L145 VanDerWaalsContact O-N 3.1Å; L142-I146 HydrophobicContact CD1-CD1 4.26Å; L142-I146 HydrophobicContact CD1-CG1 4.32Å; L142-I146 HydrophobicContact CD2-CD1 4.42Å; L142-I146 HydrophobicContact CG-CD1 3.92Å; L142-I146 HydrophobicContact CG-CG1 4.41Å; L142-I146 WeakPolarHBondContact O-CG1 3.45Å; L142-I146 PolarHBondContact O-N 2.9Å
143	A	81	Confident	74.8	Confident	13 Å²	13	46.9 Å²	46.9	11%	0.107	25%	0.247	C	C	.	.	H	α-helix	trans	-64.3	-34.8	179.2	0	0	0	0	0	111.7	I139 E140 I146 A147 I886	I139-A143 WeakPolarHBondContact O-CB 3.39Å; I139-A143 PolarHBondContact O-N 3.49Å; E140-A143 PolarHBondContact O-N 3.44Å; A143-I146 PolarHBondContact O-N 3.26Å; A143-A147 VanDerWaalsContact O-CB 3.28Å; A143-A147 WeakPolarHBondContact O-CB 3.41Å; A143-A147 PolarHBondContact O-N 2.84Å; A143-I886 HydrophobicContact CB-CD1 3.53Å; A143-I886 HydrophobicContact CB-CG1 3.88Å
144	I	80.1	Confident	76.4	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-43.9	170.4	-64.5	164.5	0	0	0	111.1	L107 A111 E140 L142 I146 A147 V148 I408 A885 I886 L889	L107-I144 HydrophobicContact CD1-CG2 3.82Å; L107-I144 HydrophobicContact CD2-CG2 4.37Å; L107-I144 HydrophobicContact CG-CG2 3.86Å; A111-I144 HydrophobicContact CB-CB 4Å; A111-I144 HydrophobicContact CB-CG2 3.73Å; E140-I144 WeakPolarHBondContact O-CG1 3.44Å; E140-I144 PolarHBondContact O-N 2.86Å; L142-I144 VanDerWaalsContact C-N 3.3Å; L142-I144 PolarHBondContact O-N 2.91Å; I144-I146 PolarHBondContact O-N 3.1Å; I144-A147 PolarHBondContact O-N 3.4Å; I144-V148 HydrophobicContact CG2-CG2 4.47Å; I144-V148 WeakPolarHBondContact O-CB 3.49Å; I144-V148 WeakPolarHBondContact O-CG2 3.43Å; I144-V148 PolarHBondContact O-N 2.98Å; I144-I408 HydrophobicContact CD1-CG2 4.03Å; I144-A885 HydrophobicContact CD1-CB 4.02Å; I144-A885 HydrophobicContact CG1-CB 4.23Å; I144-I886 HydrophobicContact CG1-CD1 4.49Å; I144-I886 HydrophobicContact CG1-CG1 4.02Å; I144-L889 HydrophobicContact CG2-CD1 4.46Å
145	L	85.5	Confident	77.7	Confident	35 Å²	35	45.2 Å²	45.2	18%	0.183	24%	0.235	C	C	.	.	H	α-helix	trans	-63.1	-39.9	176.8	-71.1	170	0	0	0	112.4	I108 A111 F112 L115 G141 L142 F149	I108-L145 HydrophobicContact CG2-CD2 4.18Å; A111-L145 HydrophobicContact CB-CD2 4.02Å; A111-L145 HydrophobicContact CB-CG 3.92Å; F112-L145 HydrophobicContact CD2-CD1 4.48Å; F112-L145 HydrophobicContact CD2-CD2 4.03Å; F112-L145 HydrophobicContact CE2-CD1 4.31Å; F112-L145 HydrophobicContact CE2-CD2 3.96Å; F112-L145 HydrophobicContact CZ-CD1 4.48Å; L115-L145 HydrophobicContact CD2-CD1 4.3Å; G141-L145 PolarHBondContact O-N 3.21Å; L142-L145 WeakPolarHBondContact O-CB 3.31Å; L142-L145 PolarHBondContact O-N 3.45Å; L142-L145 VanDerWaalsContact O-N 3.1Å; L145-F149 PolarHBondContact O-N 3.17Å
146	I	86.5	Confident	79.1	Confident	96 Å²	96	39.1 Å²	39.1	49%	0.492	21%	0.207	S	C	.	.	H	α-helix	trans	-67.2	-44.7	175.6	-66.5	170.5	0	0	0	110.7	L142 A143 I144 V148 F149 V150	L142-I146 HydrophobicContact CD1-CD1 4.26Å; L142-I146 HydrophobicContact CD1-CG1 4.32Å; L142-I146 HydrophobicContact CD2-CD1 4.42Å; L142-I146 HydrophobicContact CG-CD1 3.92Å; L142-I146 HydrophobicContact CG-CG1 4.41Å; L142-I146 WeakPolarHBondContact O-CG1 3.45Å; L142-I146 PolarHBondContact O-N 2.9Å; A143-I146 PolarHBondContact O-N 3.26Å; I144-I146 PolarHBondContact O-N 3.1Å; I146-V148 PolarHBondContact O-N 3.3Å; I146-F149 PolarHBondContact O-N 2.87Å; I146-V150 WeakPolarHBondContact O-CG2 3.18Å; I146-V150 PolarHBondContact O-N 3.16Å
147	A	80.8	Confident	80.2	Confident	19 Å²	19	40.5 Å²	40.5	16%	0.157	21%	0.21	C	C	.	.	H	α-helix	trans	-60	-44.5	176.7	0	0	0	0	0	111.6	A143 I144 F149 V150 V151 L889	A143-A147 VanDerWaalsContact O-CB 3.28Å; A143-A147 WeakPolarHBondContact O-CB 3.41Å; A143-A147 PolarHBondContact O-N 2.84Å; I144-A147 PolarHBondContact O-N 3.4Å; A147-F149 PolarHBondContact O-N 3.04Å; A147-V150 PolarHBondContact O-N 3.37Å; A147-V151 WeakPolarHBondContact O-CG2 3.16Å; A147-V151 PolarHBondContact O-N 2.93Å; A147-L889 HydrophobicContact CB-CD1 3.94Å
148	V	83.1	Confident	80.6	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.024	21%	0.206	C	C	.	.	H	α-helix	trans	-59.8	-43.5	173.9	166	0	0	0	0	111.8	L104 L107 I108 I144 I146 V150 V151 V152	L104-V148 HydrophobicContact CD2-CG1 4.17Å; L104-V148 HydrophobicContact CD2-CG2 4.37Å; L107-V148 HydrophobicContact CD2-CG2 3.59Å; L107-V148 HydrophobicContact CG-CG2 4.05Å; I108-V148 HydrophobicContact CD1-CG1 3.89Å; I108-V148 HydrophobicContact CG1-CG1 3.78Å; I144-V148 HydrophobicContact CG2-CG2 4.47Å; I144-V148 WeakPolarHBondContact O-CB 3.49Å; I144-V148 WeakPolarHBondContact O-CG2 3.43Å; I144-V148 PolarHBondContact O-N 2.98Å; I146-V148 PolarHBondContact O-N 3.3Å; V148-V150 PolarHBondContact O-N 2.83Å; V148-V151 PolarHBondContact O-N 3.05Å; V148-V152 HydrophobicContact CG1-CG2 4.38Å; V148-V152 WeakPolarHBondContact O-CB 3.37Å; V148-V152 WeakPolarHBondContact O-CG2 3.14Å; V148-V152 PolarHBondContact O-N 3.44Å
149	F	87.6	Confident	80.4	Confident	123 Å²	123	38 Å²	38	54%	0.539	20%	0.201	S	C	.	.	H	α-helix	trans	-61.3	-42.4	176	177.1	-94.3	0	0	0	112.2	M95 L145 I146 A147 V152 F153	M95-F149 HydrophobicContact CE-CD2 4.43Å; M95-F149 HydrophobicContact CE-CE2 3.77Å; M95-F149 HydrophobicContact CE-CZ 4.18Å; L145-F149 PolarHBondContact O-N 3.17Å; I146-F149 PolarHBondContact O-N 2.87Å; A147-F149 PolarHBondContact O-N 3.04Å; F149-V152 PolarHBondContact O-N 2.95Å; F149-F153 VanDerWaalsContact O-CB 3.31Å; F149-F153 WeakPolarHBondContact O-CB 3.3Å; F149-F153 PolarHBondContact O-N 3.21Å
150	V	84.1	Confident	80.6	Confident	63 Å²	63	40.8 Å²	40.8	38%	0.382	21%	0.209	S	C	.	.	H	α-helix	trans	-63.9	-45.9	176.4	172.2	0	0	0	0	111.2	I146 A147 V148 F153 V154 L893	I146-V150 WeakPolarHBondContact O-CG2 3.18Å; I146-V150 PolarHBondContact O-N 3.16Å; A147-V150 PolarHBondContact O-N 3.37Å; V148-V150 PolarHBondContact O-N 2.83Å; V150-F153 PolarHBondContact O-N 3.48Å; V150-V154 HydrophobicContact CG1-CG2 4.46Å; V150-V154 WeakPolarHBondContact O-CG2 2.67Å; V150-V154 PolarHBondContact O-N 2.98Å; V150-L893 HydrophobicContact CG1-CD2 4.37Å
151	V	78.6	Confident	80.7	Confident	21 Å²	21	43.1 Å²	43.1	13%	0.127	22%	0.219	C	C	.	.	H	α-helix	trans	-58.2	-51.3	176	170.7	0	0	0	0	110.7	A147 V148 F153 V154 V155 L893	A147-V151 WeakPolarHBondContact O-CG2 3.16Å; A147-V151 PolarHBondContact O-N 2.93Å; V148-V151 PolarHBondContact O-N 3.05Å; V151-F153 VanDerWaalsContact C-N 3.31Å; V151-F153 PolarHBondContact O-N 3.32Å; V151-V154 PolarHBondContact O-N 3.47Å; V151-V155 HydrophobicContact CG1-CG2 4.36Å; V151-V155 WeakPolarHBondContact O-CB 3.47Å; V151-V155 VanDerWaalsContact O-CG2 3.31Å; V151-V155 WeakPolarHBondContact O-CG2 3.33Å; V151-V155 PolarHBondContact O-N 3.05Å; V151-L893 HydrophobicContact CG2-CD1 4.4Å
152	V	84.2	Confident	80.4	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-56.7	-42.6	176.6	163.3	0	0	0	0	111.9	M95 A98 L99 L104 V148 F149 A156	M95-V152 HydrophobicContact CB-CG1 4.24Å; M95-V152 HydrophobicContact CE-CG1 4.14Å; M95-V152 HydrophobicContact CG-CG1 4.49Å; A98-V152 HydrophobicContact CB-CG1 4.32Å; L99-V152 HydrophobicContact CD1-CG1 4.31Å; L99-V152 HydrophobicContact CD2-CG1 4.4Å; L99-V152 HydrophobicContact CD2-CG2 3.88Å; L99-V152 HydrophobicContact CG-CG1 3.87Å; L99-V152 HydrophobicContact CG-CG2 4.05Å; L104-V152 HydrophobicContact CD1-CG2 4.22Å; V148-V152 HydrophobicContact CG1-CG2 4.38Å; V148-V152 WeakPolarHBondContact O-CB 3.37Å; V148-V152 WeakPolarHBondContact O-CG2 3.14Å; V148-V152 PolarHBondContact O-N 3.44Å; F149-V152 PolarHBondContact O-N 2.95Å; V152-A156 VanDerWaalsContact O-CB 3.28Å; V152-A156 WeakPolarHBondContact O-CB 3.4Å; V152-A156 PolarHBondContact O-N 2.93Å
153	F	88	Confident	79.7	Confident	83 Å²	83	44.6 Å²	44.6	36%	0.364	22%	0.224	S	C	.	.	H	α-helix	trans	-64.8	-45.5	179	-179.2	-89.2	0	0	0	112	F91 M95 F149 V150 V151 A156 L157	F91-F153 HydrophobicContact CE1-CD2 4.05Å; F91-F153 AromaticContact CE1-CE2 3.77Å; F91-F153 HydrophobicContact CE1-CE2 3.77Å; F91-F153 AromaticContact CZ-CD2 3.71Å; F91-F153 HydrophobicContact CZ-CD2 3.71Å; F91-F153 AromaticContact CZ-CE2 3.55Å; F91-F153 HydrophobicContact CZ-CE2 3.55Å; F91-F153 HydrophobicContact CZ-CG 4.45Å; F91-F153 HydrophobicContact CZ-CZ 4.18Å; M95-F153 HydrophobicContact CE-CB 4.33Å; M95-F153 HydrophobicContact CE-CD2 4.19Å; M95-F153 HydrophobicContact SD-CD2 4.37Å; F149-F153 VanDerWaalsContact O-CB 3.31Å; F149-F153 WeakPolarHBondContact O-CB 3.3Å; F149-F153 PolarHBondContact O-N 3.21Å; V150-F153 PolarHBondContact O-N 3.48Å; V151-F153 VanDerWaalsContact C-N 3.31Å; V151-F153 PolarHBondContact O-N 3.32Å; F153-A156 PolarHBondContact O-N 2.89Å; F153-L157 HydrophobicContact CE1-CD1 3.83Å; F153-L157 HydrophobicContact CZ-CD1 4.28Å; F153-L157 VanDerWaalsContact O-CB 3.25Å; F153-L157 WeakPolarHBondContact O-CB 3.33Å; F153-L157 PolarHBondContact O-N 3.29Å
154	V	78.3	Confident	79.5	Confident	34 Å²	34	51.9 Å²	51.9	21%	0.206	25%	0.248	C	C	.	.	H	α-helix	trans	-67.3	-41.6	178.6	178.7	0	0	0	0	111.2	V150 V151 L157 N158 L893 T897	V150-V154 HydrophobicContact CG1-CG2 4.46Å; V150-V154 WeakPolarHBondContact O-CG2 2.67Å; V150-V154 PolarHBondContact O-N 2.98Å; V151-V154 PolarHBondContact O-N 3.47Å; V154-L157 PolarHBondContact O-N 3.48Å; V154-N158 PolarHBondContact O-N 3.17Å; V154-N158 PolarHBondContact O-ND2 3.21Å; V154-L893 HydrophobicContact CB-CD1 4.3Å; V154-L893 HydrophobicContact CG1-CD1 4.27Å; V154-T897 HydrophobicContact CG1-CG2 3.69Å
155	V	73.3	Confident	78.9	Confident	46 Å²	46	53.9 Å²	53.9	28%	0.279	26%	0.258	S	S	.	.	H	α-helix	trans	-59.7	-49.4	174.5	169.5	0	0	0	0	110.9	A98 V151 L157 N158 D159	A98-V155 HydrophobicContact CB-CG1 4.08Å; V151-V155 HydrophobicContact CG1-CG2 4.36Å; V151-V155 WeakPolarHBondContact O-CB 3.47Å; V151-V155 VanDerWaalsContact O-CG2 3.31Å; V151-V155 WeakPolarHBondContact O-CG2 3.33Å; V151-V155 PolarHBondContact O-N 3.05Å; V155-L157 VanDerWaalsContact C-N 3.3Å; V155-L157 PolarHBondContact O-N 3.29Å; V155-N158 PolarHBondContact O-N 2.71Å; V155-D159 PolarHBondContact O-N 2.97Å
156	A	83.7	Confident	78	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.008	26%	0.259	C	S	.	.	H	α-helix	trans	-64.2	-33	178.1	0	0	0	0	0	113	F91 L94 M95 V152 F153 W160	F91-A156 HydrophobicContact CE2-CB 3.96Å; F91-A156 HydrophobicContact CZ-CB 4.35Å; L94-A156 HydrophobicContact CB-CB 4.18Å; M95-A156 HydrophobicContact CB-CB 4.24Å; M95-A156 HydrophobicContact CG-CB 3.46Å; M95-A156 VanDerWaalsContact CG-CB 3.46Å; V152-A156 VanDerWaalsContact O-CB 3.28Å; V152-A156 WeakPolarHBondContact O-CB 3.4Å; V152-A156 PolarHBondContact O-N 2.93Å; F153-A156 PolarHBondContact O-N 2.89Å; A156-W160 VanDerWaalsContact O-CB 3.28Å; A156-W160 WeakPolarHBondContact O-CB 3.3Å; A156-W160 PolarHBondContact O-N 2.94Å
157	L	81.3	Confident	77.3	Confident	58 Å²	58	53.1 Å²	53.1	30%	0.304	25%	0.248	S	C	.	.	H	α-helix	trans	-68.7	-41.4	176.3	-173.6	153.7	0	0	0	111.1	F91 F153 V154 V155 W160 Q161	F91-L157 HydrophobicContact CE2-CB 4.11Å; F153-L157 HydrophobicContact CE1-CD1 3.83Å; F153-L157 HydrophobicContact CZ-CD1 4.28Å; F153-L157 VanDerWaalsContact O-CB 3.25Å; F153-L157 WeakPolarHBondContact O-CB 3.33Å; F153-L157 PolarHBondContact O-N 3.29Å; V154-L157 PolarHBondContact O-N 3.48Å; V155-L157 VanDerWaalsContact C-N 3.3Å; V155-L157 PolarHBondContact O-N 3.29Å; L157-W160 PolarHBondContact O-N 3.31Å; L157-Q161 HydrophobicContact CD2-CG 4.42Å; L157-Q161 VanDerWaalsContact CD2-NE2 3.27Å; L157-Q161 WeakPolarHBondContact O-CG 3.1Å; L157-Q161 PolarHBondContact O-N 3.13Å
158	N	70.7	Confident	76.9	Confident	9 Å²	9	54.2 Å²	54.2	5%	0.048	26%	0.261	C	S	.	.	H	α-helix	trans	-65.3	-44.2	173.9	-76.6	-30.1	0	0	0	112.1	V154 V155 W160 Q161 K162 L424 T897	V154-N158 PolarHBondContact O-N 3.17Å; V154-N158 PolarHBondContact O-ND2 3.21Å; V155-N158 PolarHBondContact O-N 2.71Å; N158-W160 VanDerWaalsContact C-N 3.33Å; N158-W160 PolarHBondContact O-N 3.32Å; N158-Q161 PolarHBondContact O-N 3.25Å; N158-K162 VanDerWaalsContact O-CB 3.31Å; N158-K162 WeakPolarHBondContact O-CB 3.35Å; N158-K162 PolarHBondContact O-N 3.06Å; N158-L424 HydrophobicContact CB-CD1 4.2Å; N158-L424 HydrophobicContact CB-CD2 3.97Å; N158-T897 WeakPolarHBondContact ND2-CG2 3.35Å
159	D	72.6	Confident	76	Confident	52 Å²	52	54.8 Å²	54.8	28%	0.278	26%	0.263	S	S	.	.	H	α-helix	trans	-67.4	-32.4	176.9	-103.2	17.9	0	0	0	113	L94 V155 K162 E163	L94-D159 HydrophobicContact CD2-CB 4.49Å; V155-D159 PolarHBondContact O-N 2.97Å; D159-K162 VanDerWaalsContact CG-NZ 3.3Å; D159-K162 WeakPolarHBondContact O-CB 3.32Å; D159-K162 PolarHBondContact O-N 2.86Å; D159-K162 WeakPolarHBondContact OD1-CD 3.24Å; D159-K162 VanDerWaalsContact OD1-CE 3.31Å; D159-K162 WeakPolarHBondContact OD1-CE 3.2Å; D159-K162 IonicContact OD1-NZ 2.73Å; D159-K162 PolarHBondContact OD1-NZ 3.3Å; D159-K162 IonicContact OD2-NZ 3.28Å; D159-K162 PolarHBondContact OD2-NZ 3.34Å; D159-E163 PolarHBondContact O-N 2.82Å
160	W	80.6	Confident	75	Confident	104 Å²	104	52.6 Å²	52.6	39%	0.394	26%	0.255	S	S	.	.	H	α-helix	trans	-68.1	-43.2	171.4	-179.5	78.5	0	0	0	112.3	F91 L94 A156 L157 N158 K162 E163 R164	F91-W160 HydrophobicContact CD2-CB 4.18Å; F91-W160 HydrophobicContact CD2-CG 4.42Å; L94-W160 HydrophobicContact CD1-CB 3.76Å; A156-W160 VanDerWaalsContact O-CB 3.28Å; A156-W160 WeakPolarHBondContact O-CB 3.3Å; A156-W160 PolarHBondContact O-N 2.94Å; L157-W160 PolarHBondContact O-N 3.31Å; N158-W160 VanDerWaalsContact C-N 3.33Å; N158-W160 PolarHBondContact O-N 3.32Å; W160-K162 VanDerWaalsContact C-N 3.28Å; W160-K162 PolarHBondContact O-N 3.24Å; W160-E163 PolarHBondContact O-N 3.1Å; W160-R164 VanDerWaalsContact O-CB 3.31Å; W160-R164 WeakPolarHBondContact O-CB 3.26Å; W160-R164 PolarHBondContact O-N 2.73Å
161	Q	73.4	Confident	74.4	Confident	81 Å²	81	54 Å²	54	38%	0.379	26%	0.26	S	S	.	.	H	α-helix	trans	-60.9	-38.9	173.2	-75	-167	36.5	0	0	111.8	L157 N158 R164 Q165	L157-Q161 HydrophobicContact CD2-CG 4.42Å; L157-Q161 VanDerWaalsContact CD2-NE2 3.27Å; L157-Q161 WeakPolarHBondContact O-CG 3.1Å; L157-Q161 PolarHBondContact O-N 3.13Å; N158-Q161 PolarHBondContact O-N 3.25Å; Q161-R164 PolarHBondContact O-N 3.13Å; Q161-Q165 WeakPolarHBondContact O-CG 3.36Å; Q161-Q165 PolarHBondContact O-N 3.23Å
162	K	69.5	Low	73.9	Confident	53 Å²	53	57.4 Å²	57.4	23%	0.23	27%	0.273	C	S	.	.	H	α-helix	trans	-62.2	-51.5	175.6	168.2	-178.2	128.1	-167.6	0	112	N158 D159 W160 R164 Q165 F166 T427	N158-K162 VanDerWaalsContact O-CB 3.31Å; N158-K162 WeakPolarHBondContact O-CB 3.35Å; N158-K162 PolarHBondContact O-N 3.06Å; D159-K162 VanDerWaalsContact CG-NZ 3.3Å; D159-K162 WeakPolarHBondContact O-CB 3.32Å; D159-K162 PolarHBondContact O-N 2.86Å; D159-K162 WeakPolarHBondContact OD1-CD 3.24Å; D159-K162 VanDerWaalsContact OD1-CE 3.31Å; D159-K162 WeakPolarHBondContact OD1-CE 3.2Å; D159-K162 IonicContact OD1-NZ 2.73Å; D159-K162 PolarHBondContact OD1-NZ 3.3Å; D159-K162 IonicContact OD2-NZ 3.28Å; D159-K162 PolarHBondContact OD2-NZ 3.34Å; W160-K162 VanDerWaalsContact C-N 3.28Å; W160-K162 PolarHBondContact O-N 3.24Å; K162-R164 VanDerWaalsContact C-N 3.32Å; K162-R164 PolarHBondContact O-N 2.63Å; K162-Q165 PolarHBondContact O-N 3.08Å; K162-Q165 VanDerWaalsContact O-N 3.16Å; K162-F166 HydrophobicContact CG-CD2 4.1Å; K162-F166 HydrophobicContact CG-CE2 3.61Å; K162-F166 VanDerWaalsContact O-CD2 3.25Å; K162-F166 WeakPolarHBondContact O-CD2 3.35Å; K162-F166 PolarHBondContact O-N 2.86Å; K162-F166 VanDerWaalsContact O-N 3.08Å; K162-T427 HydrophobicContact CD-CG2 3.57Å; K162-T427 HydrophobicContact CG-CG2 3.91Å
163	E	71.3	Confident	73.1	Confident	40 Å²	40	58.9 Å²	58.9	19%	0.187	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-39.1	176.4	-164.4	-177.2	148.1	0	0	111.7	A88 K89 D159 W160 Q165 F166 R167	A88-E163 VanDerWaalsContact CA-OE1 3.28Å; A88-E163 WeakPolarHBondContact CA-OE1 3.4Å; K89-E163 PolarHBondContact N-OE1 3.27Å; K89-E163 PolarHBondContact N-OE2 3.08Å; D159-E163 PolarHBondContact O-N 2.82Å; W160-E163 PolarHBondContact O-N 3.1Å; E163-Q165 VanDerWaalsContact C-N 3.3Å; E163-Q165 PolarHBondContact O-N 2.93Å; E163-F166 PolarHBondContact O-N 3.19Å; E163-R167 PolarHBondContact O-N 3.43Å; E163-R167 IonicContact OE1-CZ 3.93Å; E163-R167 VanDerWaalsContact OE1-CZ 3.25Å; E163-R167 IonicContact OE1-NE 2.77Å; E163-R167 PolarHBondContact OE1-NE 3.35Å; E163-R167 IonicContact OE1-NH2 2.94Å; E163-R167 PolarHBondContact OE1-NH2 2.99Å
164	R	75.7	Confident	72.2	Confident	167 Å²	167	58.9 Å²	58.9	63%	0.63	28%	0.282	S	S	*	.	H	α-helix	trans	-61	-36.4	174.5	-174.9	178.6	177.9	-167.5	0.1	112.6	W160 Q161 K162 G168	W160-R164 VanDerWaalsContact O-CB 3.31Å; W160-R164 WeakPolarHBondContact O-CB 3.26Å; W160-R164 PolarHBondContact O-N 2.73Å; Q161-R164 PolarHBondContact O-N 3.13Å; K162-R164 VanDerWaalsContact C-N 3.32Å; K162-R164 PolarHBondContact O-N 2.63Å; R164-G168 PolarHBondContact O-N 3.48Å
165	Q	68.2	Low	71.8	Confident	41 Å²	41	59.6 Å²	59.6	19%	0.192	29%	0.289	C	S	.	.	H	α-helix	trans	-69	-42.4	174.6	-75.6	-176.5	61.3	0	0	112	Q161 K162 E163 G168 L169 A431	Q161-Q165 WeakPolarHBondContact O-CG 3.36Å; Q161-Q165 PolarHBondContact O-N 3.23Å; K162-Q165 PolarHBondContact O-N 3.08Å; K162-Q165 VanDerWaalsContact O-N 3.16Å; E163-Q165 VanDerWaalsContact C-N 3.3Å; E163-Q165 PolarHBondContact O-N 2.93Å; Q165-G168 PolarHBondContact O-N 2.95Å; Q165-L169 PolarHBondContact O-N 2.92Å; Q165-A431 HydrophobicContact CB-CB 4.46Å
166	F	67.5	Low	71.6	Confident	50 Å²	50	61.4 Å²	61.4	22%	0.219	29%	0.294	C	S	.	.	H	α-helix	trans	-65	-42.7	177.4	-70.1	-52.4	0	0	0	113.1	K162 E163 G168 L169 Q170 T427 A431 L447	K162-F166 HydrophobicContact CG-CD2 4.1Å; K162-F166 HydrophobicContact CG-CE2 3.61Å; K162-F166 VanDerWaalsContact O-CD2 3.25Å; K162-F166 WeakPolarHBondContact O-CD2 3.35Å; K162-F166 PolarHBondContact O-N 2.86Å; K162-F166 VanDerWaalsContact O-N 3.08Å; E163-F166 PolarHBondContact O-N 3.19Å; F166-G168 VanDerWaalsContact C-N 3.27Å; F166-G168 PolarHBondContact O-N 3.36Å; F166-L169 HydrophobicContact CD1-CD1 4.35Å; F166-L169 WeakPolarHBondContact O-CB 3.43Å; F166-L169 PolarHBondContact O-N 3.39Å; F166-Q170 PolarHBondContact O-N 3.24Å; F166-T427 HydrophobicContact CE2-CG2 3.73Å; F166-T427 HydrophobicContact CZ-CG2 3.65Å; F166-A431 HydrophobicContact CE1-CB 4.1Å; F166-A431 HydrophobicContact CZ-CB 4.11Å; F166-L447 HydrophobicContact CD1-CD1 4.04Å; F166-L447 HydrophobicContact CD1-CD2 4.35Å; F166-L447 HydrophobicContact CE1-CD1 3.35Å; F166-L447 HydrophobicContact CE1-CD2 3.84Å; F166-L447 HydrophobicContact CE1-CG 4.25Å; F166-L447 HydrophobicContact CZ-CD1 3.82Å
167	R	70.9	Confident	71.2	Confident	66 Å²	66	63.8 Å²	63.8	25%	0.249	31%	0.305	C	S	.	.	H	α-helix	trans	-63.3	-34.3	174.4	-68.3	-177.4	-179	-88.5	-3.3	112.4	Q86 R87 A88 E163 L169 Q170 N171	Q86-R167 PolarHBondContact O-NH1 2.99Å; Q86-R167 PolarHBondContact O-NH2 2.93Å; R87-R167 PolarHBondContact O-NH2 3.34Å; A88-R167 VanDerWaalsContact CA-NH2 3.31Å; E163-R167 PolarHBondContact O-N 3.43Å; E163-R167 IonicContact OE1-CZ 3.93Å; E163-R167 VanDerWaalsContact OE1-CZ 3.25Å; E163-R167 IonicContact OE1-NE 2.77Å; E163-R167 PolarHBondContact OE1-NE 3.35Å; E163-R167 IonicContact OE1-NH2 2.94Å; E163-R167 PolarHBondContact OE1-NH2 2.99Å; R167-L169 PolarHBondContact O-N 2.98Å; R167-Q170 PolarHBondContact O-N 3.47Å; R167-N171 WeakPolarHBondContact O-CB 3.45Å; R167-N171 PolarHBondContact O-N 2.84Å; R167-N171 VanDerWaalsContact O-N 3.08Å; R167-N171 PolarHBondContact O-OD1 2.75Å; R167-N171 VanDerWaalsContact O-OD1 3.13Å
168	G	71.5	Confident	71.3	Confident	42 Å²	42	63 Å²	63	43%	0.433	30%	0.303	S	S	.	.	H	α-helix	trans	-67.2	-17.9	172.7	0	0	0	0	0	115.2	R164 Q165 F166	R164-G168 PolarHBondContact O-N 3.48Å; Q165-G168 PolarHBondContact O-N 2.95Å; F166-G168 VanDerWaalsContact C-N 3.27Å; F166-G168 PolarHBondContact O-N 3.36Å
169	L	64.2	Low	72.2	Confident	15 Å²	15	62.8 Å²	62.8	8%	0.079	30%	0.301	C	S	.	.	H	α-helix	trans	-89.7	-47.7	171.8	-70.1	164.1	0	0	0	110.9	Q165 F166 R167 N171 K172 I173 V434 M438	Q165-L169 PolarHBondContact O-N 2.92Å; F166-L169 HydrophobicContact CD1-CD1 4.35Å; F166-L169 WeakPolarHBondContact O-CB 3.43Å; F166-L169 PolarHBondContact O-N 3.39Å; R167-L169 PolarHBondContact O-N 2.98Å; L169-N171 PolarHBondContact O-N 3.2Å; L169-K172 WeakPolarHBondContact O-CB 3.07Å; L169-K172 PolarHBondContact O-N 3.38Å; L169-I173 PolarHBondContact O-N 3.41Å; L169-I173 VanDerWaalsContact O-N 3.11Å; L169-V434 HydrophobicContact CD1-CB 4.35Å; L169-V434 HydrophobicContact CD1-CG1 3.69Å; L169-V434 HydrophobicContact CD2-CG1 3.9Å; L169-V434 HydrophobicContact CG-CG1 4.42Å; L169-M438 HydrophobicContact CD2-SD 3.91Å
170	Q	67.6	Low	73	Confident	78 Å²	78	63 Å²	63	36%	0.364	30%	0.3	S	S	.	.	H	α-helix	trans	-54.9	-49.6	179.2	-176.2	61.8	24.6	0	0	112	F166 R167 K172 I173 E174	F166-Q170 PolarHBondContact O-N 3.24Å; R167-Q170 PolarHBondContact O-N 3.47Å; Q170-K172 PolarHBondContact O-N 3.33Å; Q170-I173 PolarHBondContact O-N 3.13Å; Q170-I173 VanDerWaalsContact O-N 3.15Å; Q170-E174 WeakPolarHBondContact CG-OE1 3.47Å; Q170-E174 PolarHBondContact NE2-OE1 3.46Å; Q170-E174 WeakPolarHBondContact O-CG 3.35Å; Q170-E174 PolarHBondContact O-N 3.13Å
171	N	70.9	Confident	73.6	Confident	92 Å²	92	58.1 Å²	58.1	49%	0.492	28%	0.281	S	S	.	.	H	α-helix	trans	-62.2	-16.6	179.3	-66.8	17	0	0	0	113.7	R167 L169	R167-N171 WeakPolarHBondContact O-CB 3.45Å; R167-N171 PolarHBondContact O-N 2.84Å; R167-N171 VanDerWaalsContact O-N 3.08Å; R167-N171 PolarHBondContact O-OD1 2.75Å; R167-N171 VanDerWaalsContact O-OD1 3.13Å; L169-N171 PolarHBondContact O-N 3.2Å
172	K	68.4	Low	74.4	Confident	92 Å²	92	54.5 Å²	54.5	40%	0.4	27%	0.265	S	S	.	.	H	α-helix	trans	-88.9	-42.9	174.6	-84.2	178.5	147.2	-80.2	0	112.2	L169 Q170 E174 S175 E176 M438	L169-K172 WeakPolarHBondContact O-CB 3.07Å; L169-K172 PolarHBondContact O-N 3.38Å; Q170-K172 PolarHBondContact O-N 3.33Å; K172-E174 PolarHBondContact O-N 3.41Å; K172-S175 WeakPolarHBondContact CA-OG 3.33Å; K172-S175 WeakPolarHBondContact O-CA 3.28Å; K172-S175 PolarHBondContact O-N 3.24Å; K172-S175 PolarHBondContact O-OG 2.88Å; K172-E176 PolarHBondContact O-N 2.95Å; K172-M438 HydrophobicContact CD-CE 3.83Å; K172-M438 HydrophobicContact CD-SD 3.52Å; K172-M438 VanDerWaalsContact CD-SD 3.52Å
173	I	67.3	Low	75.3	Confident	33 Å²	33	52.7 Å²	52.7	17%	0.169	26%	0.256	C	S	.	.	H	α-helix	trans	-54.4	-46.1	172.1	-61.8	166.8	0	0	0	109.7	L169 Q170 S175 E176 L443	L169-I173 PolarHBondContact O-N 3.41Å; L169-I173 VanDerWaalsContact O-N 3.11Å; Q170-I173 PolarHBondContact O-N 3.13Å; Q170-I173 VanDerWaalsContact O-N 3.15Å; I173-S175 PolarHBondContact O-N 3.12Å; I173-E176 PolarHBondContact O-N 3.28Å; I173-L443 HydrophobicContact CG1-CD1 3.82Å; I173-L443 HydrophobicContact CG1-CD2 4.14Å; I173-L443 HydrophobicContact CG1-CG 4.11Å
174	E	68.4	Low	76	Confident	83 Å²	83	54.7 Å²	54.7	39%	0.388	27%	0.265	S	S	.	.	H	α-helix	trans	-66.3	-17.7	176.5	-68.9	171.2	-175.8	0	0	114.1	Q85 Q170 K172	Q85-E174 VanDerWaalsContact NE2-CD 3.33Å; Q85-E174 PolarHBondContact NE2-OE1 3.09Å; Q85-E174 PolarHBondContact NE2-OE2 3.1Å; Q170-E174 WeakPolarHBondContact CG-OE1 3.47Å; Q170-E174 PolarHBondContact NE2-OE1 3.46Å; Q170-E174 WeakPolarHBondContact O-CG 3.35Å; Q170-E174 PolarHBondContact O-N 3.13Å; K172-E174 PolarHBondContact O-N 3.41Å
175	S	70.3	Confident	76.2	Confident	49 Å²	49	48.5 Å²	48.5	34%	0.343	25%	0.253	S	S	.	.	H	α-helix	trans	-91.8	-19.5	179.8	73.3	0	0	0	0	114.5	K172 I173	K172-S175 WeakPolarHBondContact CA-OG 3.33Å; K172-S175 WeakPolarHBondContact O-CA 3.28Å; K172-S175 PolarHBondContact O-N 3.24Å; K172-S175 PolarHBondContact O-OG 2.88Å; I173-S175 PolarHBondContact O-N 3.12Å
176	E	69.7	Low	76.9	Confident	83 Å²	83	51.4 Å²	51.4	39%	0.388	27%	0.269	S	S	.	.	H	α-helix	trans	-90.6	-18.6	-180	-69.1	178.8	-155.9	0	0	112.6	K172 I173 T178 T832	K172-E176 PolarHBondContact O-N 2.95Å; I173-E176 PolarHBondContact O-N 3.28Å; E176-T178 PolarHBondContact O-N 3Å; E176-T832 WeakPolarHBondContact OE2-CG2 3.32Å
177	H	75	Confident	77.7	Confident	51 Å²	51	52.6 Å²	52.6	24%	0.236	28%	0.281	C	S	.	.			trans	-68.2	116.4	169.9	-104	-130	0	0	0	111.1	P191 V192	H177-P191 WeakPolarHBondContact O-CA 3.35Å; H177-V192 HydrophobicContact CB-CG2 4.21Å; H177-V192 PolarHBondContact O-N 2.83Å
178	T	84.2	Confident	78.4	Confident	43 Å²	43	52.6 Å²	52.6	26%	0.264	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	150.8	-174.2	51.6	0	0	0	0	111.1	E176 Q189 I190 P191	E176-T178 PolarHBondContact O-N 3Å; T178-Q189 PolarHBondContact OG1-NE2 3.17Å; T178-I190 CarbonylContact C-O 3.6Å; T178-I190 WeakPolarHBondContact CA-O 3.43Å; T178-I190 WeakPolarHBondContact CB-O 3.31Å; T178-P191 HydrophobicContact CG2-CG 4.47Å
179	F	89	Confident	79.1	Confident	3 Å²	3	56 Å²	56	1%	0.013	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	157.1	-177.5	-147.3	-96.1	0	0	0	111.9	Q189 I190 V192 I195 C201 Q202 V203 D207 L208 L209 P210	F179-Q189 WeakPolarHBondContact O-CA 3.48Å; F179-I190 PolarHBondContact N-O 3.01Å; F179-I190 PolarHBondContact O-N 3.5Å; F179-V192 HydrophobicContact CB-CG2 4.36Å; F179-I195 HydrophobicContact CB-CD1 3.9Å; F179-C201 HydrophobicContact CD1-CB 4.06Å; F179-C201 HydrophobicContact CE1-CB 3.91Å; F179-Q202 VanDerWaalsContact CE1-O 3.26Å; F179-Q202 WeakPolarHBondContact CE1-O 3.49Å; F179-V203 HydrophobicContact CE1-CG2 4.44Å; F179-D207 HydrophobicContact CE2-CB 3.82Å; F179-D207 HydrophobicContact CZ-CB 4Å; F179-D207 WeakPolarHBondContact CZ-OD2 3.5Å; F179-L208 VanDerWaalsContact CE2-O 3.3Å; F179-L208 WeakPolarHBondContact CE2-O 3.43Å; F179-L209 HydrophobicContact CZ-CD2 4.39Å; F179-P210 HydrophobicContact CB-CG 4.3Å; F179-P210 HydrophobicContact CD1-CG 4.06Å; F179-P210 HydrophobicContact CD2-CB 4.42Å; F179-P210 HydrophobicContact CD2-CG 3.82Å; F179-P210 HydrophobicContact CE1-CG 4.4Å; F179-P210 HydrophobicContact CE2-CG 4.16Å; F179-P210 HydrophobicContact CG-CG 3.77Å; F179-P210 HydrophobicContact CZ-CG 4.45Å
180	F	90	Very high	80.3	Confident	58 Å²	58	56 Å²	56	25%	0.254	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	122.4	177.2	-71.4	-88.4	0	0	0	111.1	T187 Q189 C201 Q202	F180-T187 HydrophobicContact CD1-CG2 4.11Å; F180-Q189 HydrophobicContact CD1-CB 4.24Å; F180-Q189 HydrophobicContact CE1-CB 3.97Å; F180-Q189 HydrophobicContact CE1-CG 4.34Å; F180-Q189 HydrophobicContact CE2-CG 4.35Å; F180-Q189 HydrophobicContact CZ-CB 4.27Å; F180-Q189 HydrophobicContact CZ-CG 4.16Å; F180-C201 WeakPolarHBondContact O-CA 3.41Å; F180-Q202 HydrophobicContact CB-CB 4.2Å; F180-Q202 PolarHBondContact O-N 3.16Å
181	V	91.9	Very high	81.3	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	151.6	175.6	-58.2	0	0	0	0	110.8	R183 T187 K188 I190 I195 V200	V181-R183 HydrophobicContact CG2-CG 4.05Å; V181-T187 CarbonylContact O-C 3.53Å; V181-T187 WeakPolarHBondContact O-CA 3.33Å; V181-K188 PolarHBondContact N-O 3Å; V181-K188 PolarHBondContact O-N 3.3Å; V181-I190 HydrophobicContact CB-CD1 4.48Å; V181-I190 HydrophobicContact CG1-CD1 3.9Å; V181-I190 HydrophobicContact CG1-CG1 4Å; V181-I190 HydrophobicContact CG2-CD1 3.75Å; V181-I190 HydrophobicContact CG2-CG1 3.84Å; V181-I190 HydrophobicContact CG2-CG2 4.01Å; V181-I195 HydrophobicContact CG1-CG1 4.41Å; V181-V200 CarbonylContact C-O 3.57Å; V181-V200 WeakPolarHBondContact CA-O 3.42Å
182	I	90.2	Very high	82.2	Confident	5 Å²	5	50.8 Å²	50.8	3%	0.026	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.2	171.2	-50.8	180	0	0	0	107.6	G65 D186 V200 K257	G65-I182 WeakPolarHBondContact CA-O 3.44Å; I182-D186 WeakPolarHBondContact CA-O 3.45Å; I182-V200 HydrophobicContact CB-CB 4.33Å; I182-V200 HydrophobicContact CB-CG1 4.33Å; I182-V200 HydrophobicContact CD1-CG1 4.09Å; I182-V200 HydrophobicContact CG1-CG1 4.37Å; I182-V200 PolarHBondContact N-O 3.05Å; I182-K257 HydrophobicContact CD1-CD 3.97Å
183	R	89.6	Confident	83.1	Confident	15 Å²	15	51.2 Å²	51.2	6%	0.057	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	120	-180	-73.3	177	171.3	179.4	1.7	108.9	D64 F71 V181 G185 D186 E194 D199	D64-R183 CarbonylContact O-C 3.4Å; F71-R183 VanDerWaalsContact CZ-CZ 3.45Å; V181-R183 HydrophobicContact CG2-CG 4.05Å; R183-G185 VanDerWaalsContact C-N 3.28Å; R183-G185 PolarHBondContact O-N 2.99Å; R183-D186 PolarHBondContact N-O 3.06Å; R183-D186 PolarHBondContact O-N 3.4Å; R183-E194 PolarHBondContact NH2-O 3.05Å; R183-D199 IonicContact CZ-OD1 3.84Å; R183-D199 IonicContact CZ-OD2 2.66Å; R183-D199 IonicContact NE-OD1 2.65Å; R183-D199 PolarHBondContact NE-OD1 3.43Å; R183-D199 IonicContact NE-OD2 3.26Å; R183-D199 VanDerWaalsContact NH2-CG 3.35Å; R183-D199 IonicContact NH2-OD1 3.74Å; R183-D199 PolarHBondContact NH2-OD1 3.45Å; R183-D199 IonicContact NH2-OD2 2.62Å; R183-D199 PolarHBondContact NH2-OD2 2.86Å
184	K	85.6	Confident	84.2	Confident	83 Å²	83	53.8 Å²	53.8	36%	0.361	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	34.6	-171.3	-55.6	176.9	171.7	170	0	113.4	D64 L66 E68 D186	D64-K184 PolarHBondContact O-N 3.16Å; L66-K184 PolarHBondContact O-N 3.47Å; E68-K184 VanDerWaalsContact OE2-CE 3.28Å; E68-K184 WeakPolarHBondContact OE2-CE 3.48Å; E68-K184 IonicContact OE2-NZ 2.73Å; E68-K184 PolarHBondContact OE2-NZ 2.92Å; K184-D186 PolarHBondContact O-N 3.43Å; K184-D186 VanDerWaalsContact O-N 3.15Å
185	G	80.6	Confident	85.3	Confident	37 Å²	37	49.9 Å²	49.9	38%	0.381	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	-27.5	-175.5	0	0	0	0	0	114.6	D64 R183	D64-G185 PolarHBondContact O-N 3.42Å; R183-G185 VanDerWaalsContact C-N 3.28Å; R183-G185 PolarHBondContact O-N 2.99Å
186	D	82.8	Confident	86.5	Confident	101 Å²	101	47.7 Å²	47.7	54%	0.54	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	134.7	175.5	-72.5	-33.8	0	0	0	111.8	I182 R183 K184 K188	I182-D186 WeakPolarHBondContact CA-O 3.45Å; R183-D186 PolarHBondContact N-O 3.06Å; R183-D186 PolarHBondContact O-N 3.4Å; K184-D186 PolarHBondContact O-N 3.43Å; K184-D186 VanDerWaalsContact O-N 3.15Å; D186-K188 HydrophobicContact CB-CG 4.04Å; D186-K188 PolarHBondContact O-N 3.41Å
187	T	84.6	Confident	87.6	Confident	76 Å²	76	43.9 Å²	43.9	47%	0.466	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	108	168.4	-56.3	0	0	0	0	109.3	F180 V181	F180-T187 HydrophobicContact CD1-CG2 4.11Å; V181-T187 CarbonylContact O-C 3.53Å; V181-T187 WeakPolarHBondContact O-CA 3.33Å
188	K	84.6	Confident	88.4	Confident	65 Å²	65	41.4 Å²	41.4	28%	0.283	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	145.9	-177	-53.7	-175.9	-168.3	-176.3	0	110.1	E68 V181 D186 I190	E68-K188 IonicContact OE1-NZ 2.61Å; E68-K188 PolarHBondContact OE1-NZ 3.39Å; V181-K188 PolarHBondContact N-O 3Å; V181-K188 PolarHBondContact O-N 3.3Å; D186-K188 HydrophobicContact CB-CG 4.04Å; D186-K188 PolarHBondContact O-N 3.41Å; K188-I190 HydrophobicContact CB-CG2 4.42Å
189	Q	86.2	Confident	88.8	Confident	113 Å²	113	39.4 Å²	39.4	53%	0.528	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	117.8	173.1	-174.6	170.9	-1.8	0	0	108.9	T178 F179 F180	T178-Q189 PolarHBondContact OG1-NE2 3.17Å; F179-Q189 WeakPolarHBondContact O-CA 3.48Å; F180-Q189 HydrophobicContact CD1-CB 4.24Å; F180-Q189 HydrophobicContact CE1-CB 3.97Å; F180-Q189 HydrophobicContact CE1-CG 4.34Å; F180-Q189 HydrophobicContact CE2-CG 4.35Å; F180-Q189 HydrophobicContact CZ-CB 4.27Å; F180-Q189 HydrophobicContact CZ-CG 4.16Å
190	I	88.8	Confident	89.1	Confident	16 Å²	16	39.2 Å²	39.2	8%	0.082	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	154.7	-174.1	67.6	166.7	0	0	0	112	T178 F179 V181 K188 E194 I195	T178-I190 CarbonylContact C-O 3.6Å; T178-I190 WeakPolarHBondContact CA-O 3.43Å; T178-I190 WeakPolarHBondContact CB-O 3.31Å; F179-I190 PolarHBondContact N-O 3.01Å; F179-I190 PolarHBondContact O-N 3.5Å; V181-I190 HydrophobicContact CB-CD1 4.48Å; V181-I190 HydrophobicContact CG1-CD1 3.9Å; V181-I190 HydrophobicContact CG1-CG1 4Å; V181-I190 HydrophobicContact CG2-CD1 3.75Å; V181-I190 HydrophobicContact CG2-CG1 3.84Å; V181-I190 HydrophobicContact CG2-CG2 4.01Å; K188-I190 HydrophobicContact CB-CG2 4.42Å; I190-E194 HydrophobicContact CD1-CB 4.28Å; I190-I195 HydrophobicContact CD1-CG1 3.92Å; I190-I195 HydrophobicContact CG1-CG1 4.32Å
191	P	88.9	Confident	89.2	Confident	30 Å²	30	36.5 Å²	36.5	20%	0.195	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	139.3	171.5	-26.3	37	0	0	0	112.7	H177 T178 K193 E194	H177-P191 WeakPolarHBondContact O-CA 3.35Å; T178-P191 HydrophobicContact CG2-CG 4.47Å; P191-K193 HydrophobicContact CB-CD 4.34Å; P191-K193 HydrophobicContact CB-CG 4.13Å; P191-K193 PolarHBondContact O-N 2.87Å; P191-K193 VanDerWaalsContact O-N 3.1Å; P191-E194 HydrophobicContact CB-CG 4.33Å; P191-E194 WeakPolarHBondContact O-CB 3.38Å; P191-E194 PolarHBondContact O-N 3.42Å
192	V	89.3	Confident	89.2	Confident	31 Å²	31	40.3 Å²	40.3	19%	0.188	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-55.1	-34.1	-176.3	161.3	0	0	0	0	113.3	N81 H177 F179 E194 I195 P210	N81-V192 PolarHBondContact ND2-O 3.27Å; H177-V192 HydrophobicContact CB-CG2 4.21Å; H177-V192 PolarHBondContact O-N 2.83Å; F179-V192 HydrophobicContact CB-CG2 4.36Å; V192-E194 PolarHBondContact O-N 2.95Å; V192-I195 PolarHBondContact O-N 2.97Å; V192-P210 HydrophobicContact CB-CB 4.42Å; V192-P210 HydrophobicContact CG1-CB 3.75Å; V192-P210 HydrophobicContact CG2-CB 3.96Å
193	K	88.2	Confident	89.2	Confident	100 Å²	100	40.1 Å²	40.1	44%	0.435	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-64.4	-17.6	176.5	76.4	-167.9	178	172.8	0	114.5	V82 P191	V82-K193 HydrophobicContact CG2-CB 3.96Å; P191-K193 HydrophobicContact CB-CD 4.34Å; P191-K193 HydrophobicContact CB-CG 4.13Å; P191-K193 PolarHBondContact O-N 2.87Å; P191-K193 VanDerWaalsContact O-N 3.1Å
194	E	90	Very high	89.1	Confident	87 Å²	87	44 Å²	44	41%	0.407	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-101.3	5.2	-174.1	-64.9	172.1	-154.7	0	0	112.9	R183 I190 P191 V192	R183-E194 PolarHBondContact NH2-O 3.05Å; I190-E194 HydrophobicContact CD1-CB 4.28Å; P191-E194 HydrophobicContact CB-CG 4.33Å; P191-E194 WeakPolarHBondContact O-CB 3.38Å; P191-E194 PolarHBondContact O-N 3.42Å; V192-E194 PolarHBondContact O-N 2.95Å
195	I	92.4	Very high	89	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.223	C	C	.	.			trans	-76.7	135.7	171.5	-61.4	170.4	0	0	0	109.2	N81 F179 V181 I190 V192 D199 P210 A211 V260	N81-I195 WeakPolarHBondContact CB-O 3.37Å; F179-I195 HydrophobicContact CB-CD1 3.9Å; V181-I195 HydrophobicContact CG1-CG1 4.41Å; I190-I195 HydrophobicContact CD1-CG1 3.92Å; I190-I195 HydrophobicContact CG1-CG1 4.32Å; V192-I195 PolarHBondContact O-N 2.97Å; I195-D199 WeakPolarHBondContact CA-OD2 3.29Å; I195-D199 HydrophobicContact CG2-CB 4.39Å; I195-P210 HydrophobicContact CD1-CB 3.72Å; I195-P210 HydrophobicContact CD1-CG 3.48Å; I195-P210 VanDerWaalsContact CD1-CG 3.48Å; I195-A211 HydrophobicContact CG2-CB 4.43Å; I195-V260 HydrophobicContact CG2-CG1 4.33Å; I195-V260 HydrophobicContact CG2-CG2 3.84Å
196	V	94.2	Very high	89	Confident	4 Å²	4	42.5 Å²	42.5	2%	0.024	21%	0.205	C	C	.	.			trans	-127.1	159.8	179.8	-63	0	0	0	0	111.7	L66 F71 R74 I75 G198 D199	L66-V196 HydrophobicContact CD1-CG2 3.73Å; F71-V196 HydrophobicContact CD1-CG2 4.06Å; F71-V196 HydrophobicContact CE1-CG2 4.34Å; R74-V196 HydrophobicContact CB-CB 4.34Å; I75-V196 HydrophobicContact CD1-CG1 4.3Å; I75-V196 HydrophobicContact CG1-CG1 3.85Å; V196-G198 PolarHBondContact O-N 3.22Å; V196-D199 WeakPolarHBondContact CG2-OD2 3.19Å; V196-D199 PolarHBondContact N-OD2 3.2Å; V196-D199 WeakPolarHBondContact O-CB 3.35Å; V196-D199 PolarHBondContact O-N 3.46Å
197	V	94.1	Very high	89.1	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.012	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	129.6	175.8	174.9	0	0	0	0	110.6	L29 L58 R74 F78 V263	L29-V197 HydrophobicContact CD1-CG1 3.98Å; L58-V197 HydrophobicContact CD1-CG1 4.43Å; L58-V197 HydrophobicContact CD2-CG1 3.79Å; R74-V197 PolarHBondContact NH1-O 3.09Å; F78-V197 HydrophobicContact CB-CB 3.92Å; F78-V197 HydrophobicContact CB-CG2 3.68Å; F78-V197 HydrophobicContact CD1-CB 4.41Å; F78-V197 HydrophobicContact CD1-CG1 4.15Å; F78-V197 HydrophobicContact CD2-CB 4.1Å; F78-V197 HydrophobicContact CD2-CG1 4.33Å; F78-V197 HydrophobicContact CE1-CG1 4.46Å; F78-V197 HydrophobicContact CG-CB 3.9Å; F78-V197 HydrophobicContact CG-CG1 4.09Å; F78-V197 HydrophobicContact CG-CG2 4.13Å; V197-V263 HydrophobicContact CG2-CG1 4.07Å; V197-V263 HydrophobicContact CG2-CG2 4.05Å
198	G	91.7	Very high	89.2	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.9	-7.2	-171.9	0	0	0	0	0	115.6	T60 L66 V196 V260	T60-G198 VanDerWaalsContact CB-O 3.27Å; T60-G198 WeakPolarHBondContact CB-O 3.36Å; T60-G198 WeakPolarHBondContact CG2-O 2.91Å; T60-G198 PolarHBondContact OG1-O 2.83Å; L66-G198 WeakPolarHBondContact CG-O 3.49Å; V196-G198 PolarHBondContact O-N 3.22Å; G198-V260 PolarHBondContact N-O 3.41Å
199	D	93.3	Very high	89.5	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.153	C	C	.	.			trans	-59.2	144.3	168	-90.1	-46.3	0	0	0	110.6	R183 I195 V196 V259 V260	R183-D199 IonicContact CZ-OD1 3.84Å; R183-D199 IonicContact CZ-OD2 2.66Å; R183-D199 IonicContact NE-OD1 2.65Å; R183-D199 PolarHBondContact NE-OD1 3.43Å; R183-D199 IonicContact NE-OD2 3.26Å; R183-D199 VanDerWaalsContact NH2-CG 3.35Å; R183-D199 IonicContact NH2-OD1 3.74Å; R183-D199 PolarHBondContact NH2-OD1 3.45Å; R183-D199 IonicContact NH2-OD2 2.62Å; R183-D199 PolarHBondContact NH2-OD2 2.86Å; I195-D199 WeakPolarHBondContact CA-OD2 3.29Å; I195-D199 HydrophobicContact CG2-CB 4.39Å; V196-D199 WeakPolarHBondContact CG2-OD2 3.19Å; V196-D199 PolarHBondContact N-OD2 3.2Å; V196-D199 WeakPolarHBondContact O-CB 3.35Å; V196-D199 PolarHBondContact O-N 3.46Å; D199-V259 WeakPolarHBondContact O-CA 3.31Å; D199-V260 HydrophobicContact CB-CG2 4.1Å; D199-V260 PolarHBondContact O-N 2.86Å
200	V	93.6	Very high	89.7	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	102.1	169.6	175.4	0	0	0	0	108.3	V181 I182 I216 K257 M258	V181-V200 CarbonylContact C-O 3.57Å; V181-V200 WeakPolarHBondContact CA-O 3.42Å; I182-V200 HydrophobicContact CB-CB 4.33Å; I182-V200 HydrophobicContact CB-CG1 4.33Å; I182-V200 HydrophobicContact CD1-CG1 4.09Å; I182-V200 HydrophobicContact CG1-CG1 4.37Å; I182-V200 PolarHBondContact N-O 3.05Å; V200-I216 HydrophobicContact CB-CD1 4.47Å; V200-I216 HydrophobicContact CG1-CD1 3.83Å; V200-I216 HydrophobicContact CG2-CD1 3.9Å; V200-K257 HydrophobicContact CG1-CB 4.42Å; V200-M258 CarbonylContact C-O 3.54Å; V200-M258 VanDerWaalsContact CA-O 3.29Å; V200-M258 WeakPolarHBondContact CA-O 3.5Å
201	C	93.5	Very high	89.9	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	136.2	176.5	-64.4	0	0	0	0	110.5	F179 F180 K257 M258 V260	F179-C201 HydrophobicContact CD1-CB 4.06Å; F179-C201 HydrophobicContact CE1-CB 3.91Å; F180-C201 WeakPolarHBondContact O-CA 3.41Å; C201-K257 WeakPolarHBondContact O-CA 2.98Å; C201-M258 HydrophobicContact CB-CE 3.93Å; C201-M258 HydrophobicContact CB-CG 3.8Å; C201-M258 PolarHBondContact N-O 3.49Å; C201-M258 PolarHBondContact O-N 2.89Å; C201-V260 WeakPolarHBondContact SG-CG2 3.35Å
202	Q	91.1	Very high	90.2	Very high	80 Å²	80	25.6 Å²	25.6	37%	0.374	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	126.2	170.2	-174	175.4	10.1	0	0	109.4	F179 F180	F179-Q202 VanDerWaalsContact CE1-O 3.26Å; F179-Q202 WeakPolarHBondContact CE1-O 3.49Å; F180-Q202 HydrophobicContact CB-CB 4.2Å; F180-Q202 PolarHBondContact O-N 3.16Å
203	V	91.1	Very high	90.4	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.4	-169.4	-178.3	0	0	0	0	109.2	F179 L209 L221 V251 S255 G256 M258	F179-V203 HydrophobicContact CE1-CG2 4.44Å; V203-L209 HydrophobicContact CG1-CD2 3.85Å; V203-L209 HydrophobicContact CG2-CD2 3.99Å; V203-L221 HydrophobicContact CG1-CD1 4.32Å; V203-V251 HydrophobicContact CG1-CG1 4.36Å; V203-V251 HydrophobicContact CG1-CG2 3.44Å; V203-V251 VanDerWaalsContact CG1-CG2 3.44Å; V203-S255 CarbonylContact O-C 3.27Å; V203-S255 VanDerWaalsContact O-CA 3.26Å; V203-S255 WeakPolarHBondContact O-CA 3.42Å; V203-S255 WeakPolarHBondContact O-CB 3.22Å; V203-G256 PolarHBondContact N-O 2.85Å; V203-G256 PolarHBondContact O-N 3.29Å; V203-M258 HydrophobicContact CG2-CB 4.49Å; V203-M258 HydrophobicContact CG2-CG 3.96Å; V203-M258 HydrophobicContact CG2-SD 3.96Å
204	K	87.1	Confident	90.7	Very high	97 Å²	97	19.4 Å²	19.4	42%	0.422	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	161.6	179.3	55.9	169.3	-173.5	-174.4	0	111.2	G206 D207 V251	K204-G206 PolarHBondContact O-N 3.2Å; K204-D207 WeakPolarHBondContact CE-OD1 3.39Å; K204-D207 VanDerWaalsContact CG-CG 3.46Å; K204-D207 VanDerWaalsContact CG-OD1 3.31Å; K204-D207 WeakPolarHBondContact CG-OD1 3.33Å; K204-D207 WeakPolarHBondContact CG-OD2 3.33Å; K204-D207 PolarHBondContact N-OD2 3.27Å; K204-D207 IonicContact NZ-OD1 2.8Å; K204-D207 WeakPolarHBondContact O-CB 3.48Å; K204-D207 VanDerWaalsContact O-CG 3.26Å; K204-D207 PolarHBondContact O-N 3.26Å; K204-V251 VanDerWaalsContact O-CB 3.29Å; K204-V251 WeakPolarHBondContact O-CB 3.28Å; K204-V251 WeakPolarHBondContact O-CG1 3.11Å
205	Y	83.7	Confident	90.9	Very high	88 Å²	88	15.3 Å²	15.3	35%	0.345	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-41.9	127.4	167.2	168.3	-96.6	0	0	0	113	M252 G254 T800 T820	Y205-M252 WeakPolarHBondContact CD2-O 3.41Å; Y205-M252 VanDerWaalsContact CE2-O 3.23Å; Y205-M252 WeakPolarHBondContact CE2-O 3.35Å; Y205-G254 PolarHBondContact N-O 3.27Å; Y205-T800 HydrophobicContact CE1-CG2 4.29Å; Y205-T800 HydrophobicContact CE2-CG2 4.02Å; Y205-T800 PolarHBondContact OH-OG1 3.03Å; Y205-T820 HydrophobicContact CE1-CG2 4.35Å
206	G	78.9	Confident	90.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	-1.4	176.6	0	0	0	0	0	116.1	K204 V251 D821 V822	K204-G206 PolarHBondContact O-N 3.2Å; G206-V251 PolarHBondContact N-O 3.38Å; G206-D821 PolarHBondContact O-N 3.28Å; G206-V822 PolarHBondContact O-N 3.44Å
207	D	85.3	Confident	90.5	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.021	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-72.1	147.2	174	-72.9	-11.6	0	0	0	112.4	F179 K204 V251	F179-D207 HydrophobicContact CE2-CB 3.82Å; F179-D207 HydrophobicContact CZ-CB 4Å; F179-D207 WeakPolarHBondContact CZ-OD2 3.5Å; K204-D207 WeakPolarHBondContact CE-OD1 3.39Å; K204-D207 VanDerWaalsContact CG-CG 3.46Å; K204-D207 VanDerWaalsContact CG-OD1 3.31Å; K204-D207 WeakPolarHBondContact CG-OD1 3.33Å; K204-D207 WeakPolarHBondContact CG-OD2 3.33Å; K204-D207 PolarHBondContact N-OD2 3.27Å; K204-D207 IonicContact NZ-OD1 2.8Å; K204-D207 WeakPolarHBondContact O-CB 3.48Å; K204-D207 VanDerWaalsContact O-CG 3.26Å; K204-D207 PolarHBondContact O-N 3.26Å; D207-V251 HydrophobicContact CB-CB 4.44Å; D207-V251 HydrophobicContact CB-CG2 3.95Å; D207-V251 PolarHBondContact O-N 2.85Å
208	L	87.1	Confident	90.1	Very high	31 Å²	31	23.3 Å²	23.3	16%	0.162	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-93.5	123	160.4	171	68.2	0	0	0	108.4	F179 P210 D821	F179-L208 VanDerWaalsContact CE2-O 3.3Å; F179-L208 WeakPolarHBondContact CE2-O 3.43Å; L208-P210 WeakPolarHBondContact O-CD 3.34Å; L208-D821 HydrophobicContact CB-CB 3.95Å
209	L	91.6	Very high	89.7	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.005	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-68.2	122.2	-179.7	-72.6	-174.5	0	0	0	111.5	F179 V203 I223 L245 L246 S247 G248 T249 V251 M258	F179-L209 HydrophobicContact CZ-CD2 4.39Å; V203-L209 HydrophobicContact CG1-CD2 3.85Å; V203-L209 HydrophobicContact CG2-CD2 3.99Å; L209-I223 HydrophobicContact CD1-CD1 3.86Å; L209-L245 HydrophobicContact CD1-CB 3.84Å; L209-L245 HydrophobicContact CD1-CD2 4.43Å; L209-L246 WeakPolarHBondContact CB-O 3.31Å; L209-S247 WeakPolarHBondContact O-CA 3.46Å; L209-G248 PolarHBondContact O-N 2.94Å; L209-T249 PolarHBondContact N-O 3.45Å; L209-V251 HydrophobicContact CD2-CG2 4.26Å; L209-V251 HydrophobicContact CG-CG2 4.39Å; L209-M258 HydrophobicContact CD2-SD 4.14Å
210	P	90.4	Very high	89.2	Confident	11 Å²	11	33.6 Å²	33.6	7%	0.071	17%	0.165	C	C	.	.			trans	-88.8	-11.8	-169.4	35.3	-38.2	0	0	0	114.3	N81 F179 V192 I195 L208	N81-P210 PolarHBondContact ND2-O 3Å; N81-P210 PolarHBondContact OD1-O 3.36Å; F179-P210 HydrophobicContact CB-CG 4.3Å; F179-P210 HydrophobicContact CD1-CG 4.06Å; F179-P210 HydrophobicContact CD2-CB 4.42Å; F179-P210 HydrophobicContact CD2-CG 3.82Å; F179-P210 HydrophobicContact CE1-CG 4.4Å; F179-P210 HydrophobicContact CE2-CG 4.16Å; F179-P210 HydrophobicContact CG-CG 3.77Å; F179-P210 HydrophobicContact CZ-CG 4.45Å; V192-P210 HydrophobicContact CB-CB 4.42Å; V192-P210 HydrophobicContact CG1-CB 3.75Å; V192-P210 HydrophobicContact CG2-CB 3.96Å; I195-P210 HydrophobicContact CD1-CB 3.72Å; I195-P210 HydrophobicContact CD1-CG 3.48Å; I195-P210 VanDerWaalsContact CD1-CG 3.48Å; L208-P210 WeakPolarHBondContact O-CD 3.34Å
211	A	93.4	Very high	88.7	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-159.3	163	-172.7	0	0	0	0	0	109.4	I195 V260 V263	I195-A211 HydrophobicContact CG2-CB 4.43Å; A211-V260 HydrophobicContact CB-CG1 3.78Å; A211-V260 HydrophobicContact CB-CG2 4.37Å; A211-V263 HydrophobicContact CB-CG1 4.12Å
212	D	94.2	Very high	88.3	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	145.5	173.2	-76.2	1.5	0	0	0	110.2	M33 S247 V260 T261 A262 S267 Q268	M33-D212 HydrophobicContact CE-CB 3.89Å; M33-D212 HydrophobicContact CG-CB 3.97Å; M33-D212 HydrophobicContact SD-CB 4.3Å; D212-S247 WeakPolarHBondContact OD1-CB 3.43Å; D212-S247 PolarHBondContact OD1-N 2.72Å; D212-V260 WeakPolarHBondContact O-CA 3.27Å; D212-T261 PolarHBondContact O-N 3.41Å; D212-T261 PolarHBondContact O-OG1 3.5Å; D212-A262 HydrophobicContact CB-CB 4.05Å; D212-A262 PolarHBondContact N-O 3.18Å; D212-A262 PolarHBondContact O-N 2.94Å; D212-S267 VanDerWaalsContact OD2-CA 3.26Å; D212-S267 WeakPolarHBondContact OD2-CA 3.46Å; D212-Q268 WeakPolarHBondContact OD2-CG 3.37Å; D212-Q268 PolarHBondContact OD2-N 3.44Å
213	G	94.3	Very high	88	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	175.5	-177.7	0	0	0	0	0	116.1	L245 V259 T261	G213-L245 PolarHBondContact N-O 3.44Å; G213-L245 PolarHBondContact O-N 2.93Å; G213-V259 CarbonylContact C-O 3.51Å; G213-V259 WeakPolarHBondContact CA-O 3.1Å; G213-T261 WeakPolarHBondContact CA-OG1 3.31Å; G213-T261 PolarHBondContact N-OG1 3.26Å
214	I	94.2	Very high	87.4	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130	178.4	-67.4	-70.9	0	0	0	109.5	L32 L44 V51 L54 I216 P243 I244 M258 V259 T261	L32-I214 HydrophobicContact CD1-CD1 4.41Å; L32-I214 HydrophobicContact CD2-CD1 4.22Å; L32-I214 HydrophobicContact CD2-CG1 4.12Å; L32-I214 HydrophobicContact CG-CD1 4.3Å; L44-I214 HydrophobicContact CD2-CG2 4.09Å; V51-I214 HydrophobicContact CG1-CG2 4.33Å; V51-I214 HydrophobicContact CG2-CG2 3.96Å; L54-I214 HydrophobicContact CD2-CB 4.46Å; L54-I214 HydrophobicContact CD2-CG1 4.04Å; I214-I216 PolarHBondContact O-N 2.92Å; I214-P243 CarbonylContact C-O 3.59Å; I214-P243 WeakPolarHBondContact CA-O 3.14Å; I214-P243 HydrophobicContact CG2-CB 4.41Å; I214-I244 HydrophobicContact CD1-CD1 3.64Å; I214-I244 HydrophobicContact CD1-CG1 4.42Å; I214-M258 CarbonylContact O-C 3.37Å; I214-M258 WeakPolarHBondContact O-CA 3.42Å; I214-M258 WeakPolarHBondContact O-CB 3.35Å; I214-V259 HydrophobicContact CB-CG1 4.01Å; I214-V259 PolarHBondContact N-O 3.44Å; I214-V259 PolarHBondContact O-N 3.19Å; I214-T261 HydrophobicContact CG1-CG2 3.83Å
215	V	93	Very high	87.1	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	124.9	173.4	179.2	0	0	0	0	110.2	C218 L221 E239 P243 L245	V215-C218 HydrophobicContact CG1-CB 3.83Å; V215-L221 HydrophobicContact CG2-CD2 4.39Å; V215-E239 HydrophobicContact CG1-CG 3.94Å; V215-P243 HydrophobicContact CB-CB 4.3Å; V215-P243 WeakPolarHBondContact CG2-O 3.18Å; V215-P243 PolarHBondContact N-O 3.03Å; V215-L245 HydrophobicContact CG2-CD1 3.77Å; V215-L245 HydrophobicContact CG2-CD2 3.9Å; V215-L245 HydrophobicContact CG2-CG 3.78Å
216	I	90.2	Very high	86.5	Confident	30 Å²	30	25.3 Å²	25.3	15%	0.154	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-39.7	169	-51.7	172.2	0	0	0	110.3	V51 P62 V200 I214 K257 V259	V51-I216 HydrophobicContact CG1-CB 4.45Å; V51-I216 HydrophobicContact CG1-CG1 4.1Å; V51-I216 HydrophobicContact CG1-CG2 4.49Å; P62-I216 HydrophobicContact CB-CG2 4.03Å; V200-I216 HydrophobicContact CB-CD1 4.47Å; V200-I216 HydrophobicContact CG1-CD1 3.83Å; V200-I216 HydrophobicContact CG2-CD1 3.9Å; I214-I216 PolarHBondContact O-N 2.92Å; I216-K257 HydrophobicContact CB-CB 4.31Å; I216-K257 PolarHBondContact N-O 3.35Å; I216-V259 HydrophobicContact CD1-CB 4.04Å; I216-V259 HydrophobicContact CG1-CB 4.27Å; I216-V259 HydrophobicContact CG1-CG1 4.38Å
217	Q	88.6	Confident	85.8	Confident	114 Å²	114	27 Å²	27	53%	0.533	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	138.3	-177.4	-171.9	-178.8	17.1	0	0	108.8	E239 G256 K257	Q217-E239 WeakPolarHBondContact CA-OE1 3.48Å; Q217-G256 CarbonylContact O-C 3.57Å; Q217-G256 WeakPolarHBondContact O-CA 3.5Å; Q217-K257 HydrophobicContact CB-CB 4.49Å; Q217-K257 PolarHBondContact N-O 3.42Å; Q217-K257 PolarHBondContact O-N 2.91Å
218	C	85.7	Confident	85.1	Confident	32 Å²	32	29 Å²	29	22%	0.216	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	155.2	175.2	64.4	0	0	0	0	114.1	V215 L221 E239	V215-C218 HydrophobicContact CG1-CB 3.83Å; C218-L221 HydrophobicContact CB-CB 3.94Å; C218-L221 HydrophobicContact CB-CD2 4.25Å; C218-E239 PolarHBondContact N-OE1 3.46Å
219	N	83.9	Confident	84.3	Confident	110 Å²	110	30.5 Å²	30.5	59%	0.588	17%	0.166	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134.8	109.2	170.4	-173.9	10	0	0	0	109.3	L221 G254 S255	N219-L221 PolarHBondContact O-N 3.13Å; N219-G254 WeakPolarHBondContact O-CA 3.18Å; N219-S255 PolarHBondContact N-O 3.49Å; N219-S255 PolarHBondContact O-N 3.08Å
220	D	81.5	Confident	82.4	Confident	106 Å²	106	31.7 Å²	31.7	57%	0.567	18%	0.179	S	C	*	.	E	Extended strand (participates in β ladder)	trans	41.4	37.7	-174.7	-95.8	-40.1	0	0	0	115.2	K222 R236	D220-K222 PolarHBondContact O-N 3.25Å; D220-R236 IonicContact OD1-NH1 3.17Å; D220-R236 PolarHBondContact OD1-NH1 3.31Å
221	L	84.2	Confident	81.1	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	119.3	-175.5	-174.1	64.1	0	0	0	111.4	V203 V215 C218 N219 I223 K237 L245 V251	V203-L221 HydrophobicContact CG1-CD1 4.32Å; V215-L221 HydrophobicContact CG2-CD2 4.39Å; C218-L221 HydrophobicContact CB-CB 3.94Å; C218-L221 HydrophobicContact CB-CD2 4.25Å; N219-L221 PolarHBondContact O-N 3.13Å; L221-I223 HydrophobicContact CG-CG1 4.46Å; L221-K237 HydrophobicContact CB-CB 4.45Å; L221-K237 HydrophobicContact CD2-CB 4.06Å; L221-K237 HydrophobicContact CG-CB 4.22Å; L221-K237 PolarHBondContact O-N 2.94Å; L221-L245 HydrophobicContact CD2-CD2 4.18Å; L221-V251 HydrophobicContact CD1-CG1 3.62Å
222	K	84.3	Confident	79.4	Confident	32 Å²	32	40.1 Å²	40.1	14%	0.139	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	139.1	173.5	-57.9	-175.7	-166.4	163.9	0	111	D220 Q234 V235 R236 M252 E253	D220-K222 PolarHBondContact O-N 3.25Å; K222-Q234 HydrophobicContact CB-CB 4.34Å; K222-Q234 HydrophobicContact CD-CB 4.31Å; K222-V235 WeakPolarHBondContact CA-O 3.35Å; K222-R236 HydrophobicContact CG-CG 4.19Å; K222-M252 PolarHBondContact O-N 2.88Å; K222-E253 HydrophobicContact CB-CB 4.04Å; K222-E253 HydrophobicContact CD-CB 3.99Å; K222-E253 HydrophobicContact CD-CG 4.15Å; K222-E253 WeakPolarHBondContact CE-OE2 3.44Å; K222-E253 HydrophobicContact CG-CB 4.08Å; K222-E253 PolarHBondContact N-O 3.2Å; K222-E253 IonicContact NZ-OE1 2.76Å; K222-E253 PolarHBondContact NZ-OE1 3Å; K222-E253 IonicContact NZ-OE2 3.66Å; K222-E253 PolarHBondContact NZ-OE2 3.35Å; K222-E253 PolarHBondContact O-N 3.29Å
223	I	85.5	Confident	78.1	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	140.5	-175.7	-63.4	-169.3	0	0	0	110.7	L209 L221 E225 V235 K237 L245 T249 H250	L209-I223 HydrophobicContact CD1-CD1 3.86Å; L221-I223 HydrophobicContact CG-CG1 4.46Å; I223-E225 HydrophobicContact CG2-CG 4.08Å; I223-V235 PolarHBondContact N-O 2.93Å; I223-V235 PolarHBondContact O-N 3.1Å; I223-K237 HydrophobicContact CB-CG 4.5Å; I223-K237 HydrophobicContact CD1-CG 4.1Å; I223-K237 HydrophobicContact CG1-CG 4.2Å; I223-L245 HydrophobicContact CD1-CD2 3.4Å; I223-T249 WeakPolarHBondContact CG2-OG1 3.37Å; I223-H250 CarbonylContact C-O 3.54Å; I223-H250 VanDerWaalsContact CA-O 3.3Å; I223-H250 WeakPolarHBondContact CA-O 3.45Å; I223-H250 WeakPolarHBondContact CG2-O 3.14Å
224	D	78.2	Confident	77.2	Confident	30 Å²	30	50.4 Å²	50.4	16%	0.16	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	111.7	166.9	-177.4	-5.6	0	0	0	108.9	S226 T249 H250 M252	D224-S226 VanDerWaalsContact CG-OG 3.31Å; D224-S226 WeakPolarHBondContact OD1-CB 3.38Å; D224-S226 PolarHBondContact OD1-N 2.86Å; D224-S226 PolarHBondContact OD1-OG 2.88Å; D224-S226 PolarHBondContact OD2-OG 3.42Å; D224-T249 WeakPolarHBondContact O-CB 3.38Å; D224-H250 HydrophobicContact CB-CB 4.48Å; D224-H250 PolarHBondContact N-O 2.9Å; D224-H250 PolarHBondContact O-N 3.33Å; D224-M252 HydrophobicContact CB-CG 3.55Å; D224-M252 HydrophobicContact CB-SD 4.14Å
225	E	81	Confident	76.7	Confident	12 Å²	12	51.8 Å²	51.8	6%	0.056	29%	0.287	C	S	.	.			trans	-96	6.4	179.2	-58.6	-167.4	145.8	0	0	113	I223 S227 L228 T229 V235 K237 T249	I223-E225 HydrophobicContact CG2-CG 4.08Å; E225-S227 PolarHBondContact O-N 3.39Å; E225-S227 VanDerWaalsContact O-N 3.1Å; E225-L228 PolarHBondContact O-N 3.13Å; E225-T229 HydrophobicContact CB-CG2 3.92Å; E225-T229 PolarHBondContact O-N 2.8Å; E225-T229 PolarHBondContact O-OG1 3.46Å; E225-T229 VanDerWaalsContact O-OG1 3.1Å; E225-V235 HydrophobicContact CG-CB 4.49Å; E225-V235 HydrophobicContact CG-CG2 4.1Å; E225-K237 WeakPolarHBondContact OE1-CE 3.24Å; E225-K237 IonicContact OE1-NZ 3.41Å; E225-K237 PolarHBondContact OE1-NZ 3.06Å; E225-T249 HydrophobicContact CB-CG2 4.32Å; E225-T249 HydrophobicContact CG-CG2 4.33Å
226	S	70.2	Confident	76.4	Confident	14 Å²	14	59.8 Å²	59.8	10%	0.098	32%	0.317	C	S	.	.	H	α-helix	trans	-55.8	-32.2	-173.1	58.4	0	0	0	0	114.2	D224 L228 G230 E231	D224-S226 VanDerWaalsContact CG-OG 3.31Å; D224-S226 WeakPolarHBondContact OD1-CB 3.38Å; D224-S226 PolarHBondContact OD1-N 2.86Å; D224-S226 PolarHBondContact OD1-OG 2.88Å; D224-S226 PolarHBondContact OD2-OG 3.42Å; S226-L228 PolarHBondContact O-N 3.32Å; S226-L228 VanDerWaalsContact O-N 3.12Å; S226-G230 VanDerWaalsContact O-CA 3.29Å; S226-G230 WeakPolarHBondContact O-CA 3.28Å; S226-G230 PolarHBondContact O-N 3.24Å; S226-E231 WeakPolarHBondContact CA-O 3.39Å; S226-E231 WeakPolarHBondContact CB-O 3.41Å; S226-E231 PolarHBondContact N-O 3.39Å
227	S	64.8	Low	76.3	Confident	37 Å²	37	58.7 Å²	58.7	26%	0.259	31%	0.311	S	S	.	.	H	α-helix	trans	-54.1	-26.2	172.1	-53.1	0	0	0	0	114.3	E225 G248 L1153	E225-S227 PolarHBondContact O-N 3.39Å; E225-S227 VanDerWaalsContact O-N 3.1Å; S227-G248 WeakPolarHBondContact CB-O 3.39Å; S227-G248 PolarHBondContact OG-O 3.22Å; S227-L1153 WeakPolarHBondContact O-CB 3.43Å
228	L	69.9	Low	76.1	Confident	44 Å²	44	55.6 Å²	55.6	23%	0.23	30%	0.298	C	S	.	.	H	α-helix	trans	-116	-41.2	-177.9	-62.9	177.9	0	0	0	112.9	E225 S226 L246 T249 A269 I272	E225-L228 PolarHBondContact O-N 3.13Å; S226-L228 PolarHBondContact O-N 3.32Å; S226-L228 VanDerWaalsContact O-N 3.12Å; L228-L246 HydrophobicContact CD1-CB 3.57Å; L228-L246 HydrophobicContact CD1-CD1 3.77Å; L228-L246 HydrophobicContact CD1-CG 4.25Å; L228-T249 HydrophobicContact CD1-CG2 3.65Å; L228-T249 HydrophobicContact CG-CG2 4.1Å; L228-A269 HydrophobicContact CD2-CB 4.21Å; L228-I272 HydrophobicContact CD2-CD1 3.9Å
229	T	70.6	Confident	76	Confident	63 Å²	63	58 Å²	58	39%	0.387	31%	0.306	S	S	.	.	H	α-helix	trans	-93.6	-23.3	-175.2	63.7	0	0	0	0	113.2	E225 E231	E225-T229 HydrophobicContact CB-CG2 3.92Å; E225-T229 PolarHBondContact O-N 2.8Å; E225-T229 PolarHBondContact O-OG1 3.46Å; E225-T229 VanDerWaalsContact O-OG1 3.1Å; T229-E231 PolarHBondContact O-N 3.33Å; T229-E231 PolarHBondContact OG1-N 2.94Å
230	G	52.9	Low	75.8	Confident	27 Å²	27	57 Å²	57	28%	0.278	31%	0.305	S	S	.	.			trans	67.4	15	-166.2	0	0	0	0	0	114.1	S226 R1157	S226-G230 VanDerWaalsContact O-CA 3.29Å; S226-G230 WeakPolarHBondContact O-CA 3.28Å; S226-G230 PolarHBondContact O-N 3.24Å; G230-R1157 PolarHBondContact O-NE 2.86Å; G230-R1157 PolarHBondContact O-NH2 2.87Å
231	E	63	Low	75.8	Confident	108 Å²	108	58.8 Å²	58.8	51%	0.505	31%	0.307	S	S	.	.			trans	-103.1	119.1	173.2	-56.2	-164.4	143	0	0	109.7	S226 T229 D233	S226-E231 WeakPolarHBondContact CA-O 3.39Å; S226-E231 WeakPolarHBondContact CB-O 3.41Å; S226-E231 PolarHBondContact N-O 3.39Å; T229-E231 PolarHBondContact O-N 3.33Å; T229-E231 PolarHBondContact OG1-N 2.94Å; E231-D233 VanDerWaalsContact C-N 3.27Å; E231-D233 PolarHBondContact O-N 3.02Å
232	S	57.6	Low	76	Confident	80 Å²	80	59 Å²	59	56%	0.559	31%	0.308	S	S	*	.			trans	-86.2	9.7	-175.3	-43.7	0	0	0	0	114
233	D	66	Low	76.3	Confident	134 Å²	134	57.4 Å²	57.4	72%	0.717	30%	0.301	S	S	*	.	S	Bend	trans	-90.2	131.2	-178.1	-68.4	-41.7	0	0	0	110.1	E231 V235	E231-D233 VanDerWaalsContact C-N 3.27Å; E231-D233 PolarHBondContact O-N 3.02Å; D233-V235 PolarHBondContact O-N 2.99Å; D233-V235 VanDerWaalsContact O-N 3.17Å
234	Q	76.5	Confident	76.7	Confident	82 Å²	82	57.4 Å²	57.4	38%	0.383	30%	0.301	S	S	.	.			trans	-65.2	114.1	-177.1	-68.9	179.4	-7.7	0	0	112	K222 R236 M252 E253	K222-Q234 HydrophobicContact CB-CB 4.34Å; K222-Q234 HydrophobicContact CD-CB 4.31Å; Q234-R236 PolarHBondContact O-N 3.21Å; Q234-M252 HydrophobicContact CG-CB 4.23Å; Q234-M252 HydrophobicContact CG-CG 4.47Å; Q234-E253 PolarHBondContact OE1-OE1 3.3Å
235	V	83.8	Confident	77.3	Confident	30 Å²	30	56 Å²	56	18%	0.182	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	118	177.6	-174.8	0	0	0	0	109.5	K222 I223 E225 D233 K237	K222-V235 WeakPolarHBondContact CA-O 3.35Å; I223-V235 PolarHBondContact N-O 2.93Å; I223-V235 PolarHBondContact O-N 3.1Å; E225-V235 HydrophobicContact CG-CB 4.49Å; E225-V235 HydrophobicContact CG-CG2 4.1Å; D233-V235 PolarHBondContact O-N 2.99Å; D233-V235 VanDerWaalsContact O-N 3.17Å; V235-K237 HydrophobicContact CG1-CD 4.21Å
236	R	85.7	Confident	77.9	Confident	168 Å²	168	55.5 Å²	55.5	63%	0.634	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	127.3	169	-70.5	-175.4	-176.5	-118.5	9.1	109.7	D220 K222 Q234	D220-R236 IonicContact OD1-NH1 3.17Å; D220-R236 PolarHBondContact OD1-NH1 3.31Å; K222-R236 HydrophobicContact CG-CG 4.19Å; Q234-R236 PolarHBondContact O-N 3.21Å
237	K	87.5	Confident	78.8	Confident	7 Å²	7	55.5 Å²	55.5	3%	0.03	29%	0.292	C	S	.	.			trans	-106.8	138.8	178.1	-61.6	-64.5	-177.5	170.6	0	110.6	L221 I223 E225 V235 D242 I244 L245	L221-K237 HydrophobicContact CB-CB 4.45Å; L221-K237 HydrophobicContact CD2-CB 4.06Å; L221-K237 HydrophobicContact CG-CB 4.22Å; L221-K237 PolarHBondContact O-N 2.94Å; I223-K237 HydrophobicContact CB-CG 4.5Å; I223-K237 HydrophobicContact CD1-CG 4.1Å; I223-K237 HydrophobicContact CG1-CG 4.2Å; E225-K237 WeakPolarHBondContact OE1-CE 3.24Å; E225-K237 IonicContact OE1-NZ 3.41Å; E225-K237 PolarHBondContact OE1-NZ 3.06Å; V235-K237 HydrophobicContact CG1-CD 4.21Å; K237-D242 WeakPolarHBondContact CA-O 3.48Å; K237-D242 HydrophobicContact CD-CB 4.33Å; K237-D242 WeakPolarHBondContact CD-O 3.49Å; K237-D242 WeakPolarHBondContact CD-OD2 3.39Å; K237-D242 IonicContact NZ-OD1 2.64Å; K237-D242 IonicContact NZ-OD2 2.8Å; K237-D242 PolarHBondContact NZ-OD2 2.98Å; K237-I244 WeakPolarHBondContact CD-O 3.46Å; K237-I244 VanDerWaalsContact CE-O 3.23Å; K237-I244 WeakPolarHBondContact CE-O 3.36Å; K237-I244 PolarHBondContact NZ-O 3.33Å; K237-L245 HydrophobicContact CB-CD2 4.32Å; K237-L245 HydrophobicContact CD-CD2 4.33Å; K237-L245 HydrophobicContact CG-CD2 3.93Å
238	N	84.5	Confident	79.7	Confident	49 Å²	49	54.9 Å²	54.9	26%	0.262	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-160	160.7	168.4	98	-53.3	0	0	0	112.5	T240 K241 D242	N238-T240 PolarHBondContact ND2-N 3.41Å; N238-T240 PolarHBondContact ND2-OG1 3.04Å; N238-T240 PolarHBondContact O-N 3.49Å; N238-T240 VanDerWaalsContact O-N 3.09Å; N238-T240 PolarHBondContact OD1-N 2.96Å; N238-K241 PolarHBondContact O-N 3.37Å; N238-K241 VanDerWaalsContact OD1-CB 3.25Å; N238-K241 WeakPolarHBondContact OD1-CB 3.38Å; N238-K241 PolarHBondContact OD1-N 3.23Å; N238-D242 PolarHBondContact N-O 3.05Å; N238-D242 CarbonylContact O-C 3.36Å; N238-D242 PolarHBondContact O-N 3.05Å; N238-D242 VanDerWaalsContact O-N 3.12Å
239	E	83.8	Confident	80.6	Confident	82 Å²	82	52.8 Å²	52.8	38%	0.383	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-32.4	-178.3	-65	141	-124.6	0	0	114.6	V215 Q217 C218	V215-E239 HydrophobicContact CG1-CG 3.94Å; Q217-E239 WeakPolarHBondContact CA-OE1 3.48Å; C218-E239 PolarHBondContact N-OE1 3.46Å
240	T	80.4	Confident	81.2	Confident	90 Å²	90	51 Å²	51	55%	0.552	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-8.5	-169.6	62.5	0	0	0	0	116	N238	N238-T240 PolarHBondContact ND2-N 3.41Å; N238-T240 PolarHBondContact ND2-OG1 3.04Å; N238-T240 PolarHBondContact O-N 3.49Å; N238-T240 VanDerWaalsContact O-N 3.09Å; N238-T240 PolarHBondContact OD1-N 2.96Å
241	K	82.3	Confident	82.8	Confident	142 Å²	142	49.7 Å²	49.7	62%	0.617	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130	-35.9	-179.7	-59.9	-177.4	178.6	179.1	0	114.6	K37 L38 N238	K37-K241 CarbonylContact C-O 3.56Å; K37-K241 WeakPolarHBondContact CA-O 3.37Å; L38-K241 PolarHBondContact N-O 3.25Å; L38-K241 VanDerWaalsContact N-O 3.15Å; N238-K241 PolarHBondContact O-N 3.37Å; N238-K241 VanDerWaalsContact OD1-CB 3.25Å; N238-K241 WeakPolarHBondContact OD1-CB 3.38Å; N238-K241 PolarHBondContact OD1-N 3.23Å
242	D	88.2	Confident	83.5	Confident	6 Å²	6	46.4 Å²	46.4	3%	0.032	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-157.1	86.4	175.8	-166.6	23.4	0	0	0	110.5	K37 K237 N238 I244	K37-D242 VanDerWaalsContact CA-OD1 3.29Å; K37-D242 WeakPolarHBondContact CA-OD1 3.41Å; K37-D242 HydrophobicContact CB-CB 4.36Å; K37-D242 HydrophobicContact CG-CB 4.04Å; K37-D242 PolarHBondContact N-OD1 3.03Å; K237-D242 WeakPolarHBondContact CA-O 3.48Å; K237-D242 HydrophobicContact CD-CB 4.33Å; K237-D242 WeakPolarHBondContact CD-O 3.49Å; K237-D242 WeakPolarHBondContact CD-OD2 3.39Å; K237-D242 IonicContact NZ-OD1 2.64Å; K237-D242 IonicContact NZ-OD2 2.8Å; K237-D242 PolarHBondContact NZ-OD2 2.98Å; N238-D242 PolarHBondContact N-O 3.05Å; N238-D242 CarbonylContact O-C 3.36Å; N238-D242 PolarHBondContact O-N 3.05Å; N238-D242 VanDerWaalsContact O-N 3.12Å; D242-I244 VanDerWaalsContact C-N 3.3Å
243	P	91	Very high	84.5	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.229	C	C	.	.			trans	-87.7	2.1	-177.1	36.4	-37.4	0	0	0	112.8	V41 I214 V215	V41-P243 HydrophobicContact CG2-CG 3.95Å; I214-P243 CarbonylContact C-O 3.59Å; I214-P243 WeakPolarHBondContact CA-O 3.14Å; I214-P243 HydrophobicContact CG2-CB 4.41Å; V215-P243 HydrophobicContact CB-CB 4.3Å; V215-P243 WeakPolarHBondContact CG2-O 3.18Å; V215-P243 PolarHBondContact N-O 3.03Å
244	I	92.1	Very high	85.2	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	126.6	-174.1	-72.1	-75.2	0	0	0	110.7	L32 M33 A40 I214 K237 D242 L246	L32-I244 WeakPolarHBondContact O-CD1 3.44Å; M33-I244 HydrophobicContact CE-CD1 3.73Å; M33-I244 HydrophobicContact CE-CG2 3.8Å; M33-I244 HydrophobicContact SD-CD1 3.86Å; A40-I244 HydrophobicContact CB-CD1 3.99Å; A40-I244 HydrophobicContact CB-CG1 3.51Å; I214-I244 HydrophobicContact CD1-CD1 3.64Å; I214-I244 HydrophobicContact CD1-CG1 4.42Å; K237-I244 WeakPolarHBondContact CD-O 3.46Å; K237-I244 VanDerWaalsContact CE-O 3.23Å; K237-I244 WeakPolarHBondContact CE-O 3.36Å; K237-I244 PolarHBondContact NZ-O 3.33Å; D242-I244 VanDerWaalsContact C-N 3.3Å; I244-L246 HydrophobicContact CG2-CD2 3.74Å; I244-L246 HydrophobicContact CG2-CG 4Å
245	L	92.6	Very high	85.7	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135.6	175	-58.7	179.9	0	0	0	109.5	M33 L209 G213 V215 L221 I223 K237 M258	M33-L245 WeakPolarHBondContact CE-O 3.43Å; L209-L245 HydrophobicContact CD1-CB 3.84Å; L209-L245 HydrophobicContact CD1-CD2 4.43Å; G213-L245 PolarHBondContact N-O 3.44Å; G213-L245 PolarHBondContact O-N 2.93Å; V215-L245 HydrophobicContact CG2-CD1 3.77Å; V215-L245 HydrophobicContact CG2-CD2 3.9Å; V215-L245 HydrophobicContact CG2-CG 3.78Å; L221-L245 HydrophobicContact CD2-CD2 4.18Å; I223-L245 HydrophobicContact CD1-CD2 3.4Å; K237-L245 HydrophobicContact CB-CD2 4.32Å; K237-L245 HydrophobicContact CD-CD2 4.33Å; K237-L245 HydrophobicContact CG-CD2 3.93Å; L245-M258 HydrophobicContact CB-SD 4.07Å; L245-M258 HydrophobicContact CD1-CB 3.47Å; L245-M258 VanDerWaalsContact CD1-CB 3.47Å; L245-M258 HydrophobicContact CD1-CG 4.05Å; L245-M258 HydrophobicContact CD1-SD 3.49Å; L245-M258 WeakPolarHBondContact CD1-SD 3.36Å; L245-M258 HydrophobicContact CG-SD 4.46Å
246	L	91.9	Very high	86	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.204	C	C	.	.			trans	-120.9	134.1	-167.9	-59.5	174.1	0	0	0	111.3	M33 L209 L228 I244 T249 Q268	M33-L246 HydrophobicContact CE-CD2 3.77Å; L209-L246 WeakPolarHBondContact CB-O 3.31Å; L228-L246 HydrophobicContact CD1-CB 3.57Å; L228-L246 HydrophobicContact CD1-CD1 3.77Å; L228-L246 HydrophobicContact CD1-CG 4.25Å; I244-L246 HydrophobicContact CG2-CD2 3.74Å; I244-L246 HydrophobicContact CG2-CG 4Å; L246-T249 HydrophobicContact CB-CG2 3.94Å; L246-T249 PolarHBondContact O-N 3.4Å; L246-T249 PolarHBondContact O-OG1 2.91Å; L246-Q268 HydrophobicContact CD2-CB 4.4Å; L246-Q268 HydrophobicContact CD2-CG 4.09Å
247	S	90.6	Very high	86.2	Confident	15 Å²	15	33.1 Å²	33.1	11%	0.105	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	140	173.3	-169.8	0	0	0	0	110.9	L209 D212 A269	L209-S247 WeakPolarHBondContact O-CA 3.46Å; D212-S247 WeakPolarHBondContact OD1-CB 3.43Å; D212-S247 PolarHBondContact OD1-N 2.72Å; S247-A269 WeakPolarHBondContact O-CB 3.36Å
248	G	83.6	Confident	86.6	Confident	23 Å²	23	32.8 Å²	32.8	24%	0.237	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	12.1	-178.9	0	0	0	0	0	115.5	L209 S227	L209-G248 PolarHBondContact O-N 2.94Å; S227-G248 WeakPolarHBondContact CB-O 3.39Å; S227-G248 PolarHBondContact OG-O 3.22Å
249	T	87.8	Confident	87	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.17	C	C	.	.			trans	-108.5	157.4	173.2	66.1	0	0	0	0	111.7	L209 I223 D224 E225 L228 L246	L209-T249 PolarHBondContact N-O 3.45Å; I223-T249 WeakPolarHBondContact CG2-OG1 3.37Å; D224-T249 WeakPolarHBondContact O-CB 3.38Å; E225-T249 HydrophobicContact CB-CG2 4.32Å; E225-T249 HydrophobicContact CG-CG2 4.33Å; L228-T249 HydrophobicContact CD1-CG2 3.65Å; L228-T249 HydrophobicContact CG-CG2 4.1Å; L246-T249 HydrophobicContact CB-CG2 3.94Å; L246-T249 PolarHBondContact O-N 3.4Å; L246-T249 PolarHBondContact O-OG1 2.91Å
250	H	83.1	Confident	87.6	Confident	25 Å²	25	26.5 Å²	26.5	12%	0.116	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136.1	-169.3	-62	-65.3	0	0	0	113	I223 D224 M252 V822 E825	I223-H250 CarbonylContact C-O 3.54Å; I223-H250 VanDerWaalsContact CA-O 3.3Å; I223-H250 WeakPolarHBondContact CA-O 3.45Å; I223-H250 WeakPolarHBondContact CG2-O 3.14Å; D224-H250 HydrophobicContact CB-CB 4.48Å; D224-H250 PolarHBondContact N-O 2.9Å; D224-H250 PolarHBondContact O-N 3.33Å; H250-M252 HydrophobicContact CB-SD 4.26Å; H250-M252 PolarHBondContact O-N 2.98Å; H250-V822 HydrophobicContact CB-CG2 3.91Å; H250-E825 IonicContact CE1-OE2 2.98Å; H250-E825 PolarHBondContact CE1-OE2 3.4Å
251	V	86.5	Confident	88.2	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	109.2	177.1	-170.5	0	0	0	0	110.2	V203 K204 G206 D207 L209 L221	V203-V251 HydrophobicContact CG1-CG1 4.36Å; V203-V251 HydrophobicContact CG1-CG2 3.44Å; V203-V251 VanDerWaalsContact CG1-CG2 3.44Å; K204-V251 VanDerWaalsContact O-CB 3.29Å; K204-V251 WeakPolarHBondContact O-CB 3.28Å; K204-V251 WeakPolarHBondContact O-CG1 3.11Å; G206-V251 PolarHBondContact N-O 3.38Å; D207-V251 HydrophobicContact CB-CB 4.44Å; D207-V251 HydrophobicContact CB-CG2 3.95Å; D207-V251 PolarHBondContact O-N 2.85Å; L209-V251 HydrophobicContact CD2-CG2 4.26Å; L209-V251 HydrophobicContact CG-CG2 4.39Å; L221-V251 HydrophobicContact CD1-CG1 3.62Å
252	M	78.3	Confident	88.7	Confident	39 Å²	39	15.7 Å²	15.7	19%	0.192	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-29.1	-172.5	-64.6	-54.3	-73	0	0	114.1	Y205 K222 D224 Q234 H250	Y205-M252 WeakPolarHBondContact CD2-O 3.41Å; Y205-M252 VanDerWaalsContact CE2-O 3.23Å; Y205-M252 WeakPolarHBondContact CE2-O 3.35Å; K222-M252 PolarHBondContact O-N 2.88Å; D224-M252 HydrophobicContact CB-CG 3.55Å; D224-M252 HydrophobicContact CB-SD 4.14Å; Q234-M252 HydrophobicContact CG-CB 4.23Å; Q234-M252 HydrophobicContact CG-CG 4.47Å; H250-M252 HydrophobicContact CB-SD 4.26Å; H250-M252 PolarHBondContact O-N 2.98Å
253	E	79.4	Confident	88.9	Confident	78 Å²	78	15.4 Å²	15.4	36%	0.364	10%	0.096	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	160.7	171.4	-64.6	-177.5	-147.7	0	0	110.7	K222 Q234	K222-E253 HydrophobicContact CB-CB 4.04Å; K222-E253 HydrophobicContact CD-CB 3.99Å; K222-E253 HydrophobicContact CD-CG 4.15Å; K222-E253 WeakPolarHBondContact CE-OE2 3.44Å; K222-E253 HydrophobicContact CG-CB 4.08Å; K222-E253 PolarHBondContact N-O 3.2Å; K222-E253 IonicContact NZ-OE1 2.76Å; K222-E253 PolarHBondContact NZ-OE1 3Å; K222-E253 IonicContact NZ-OE2 3.66Å; K222-E253 PolarHBondContact NZ-OE2 3.35Å; K222-E253 PolarHBondContact O-N 3.29Å; Q234-E253 PolarHBondContact OE1-OE1 3.3Å
254	G	79.8	Confident	88.8	Confident	28 Å²	28	15.4 Å²	15.4	29%	0.289	10%	0.096	S	C	.	.	E	Extended strand (participates in β ladder)	trans	79.1	-160.7	173.2	0	0	0	0	0	115.4	Y205 N219	Y205-G254 PolarHBondContact N-O 3.27Å; N219-G254 WeakPolarHBondContact O-CA 3.18Å
255	S	87	Confident	88.5	Confident	48 Å²	48	17.9 Å²	17.9	34%	0.336	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	169.2	178.2	60.8	0	0	0	0	111.7	V203 N219	V203-S255 CarbonylContact O-C 3.27Å; V203-S255 VanDerWaalsContact O-CA 3.26Å; V203-S255 WeakPolarHBondContact O-CA 3.42Å; V203-S255 WeakPolarHBondContact O-CB 3.22Å; N219-S255 PolarHBondContact N-O 3.49Å; N219-S255 PolarHBondContact O-N 3.08Å
256	G	89.1	Confident	88.4	Confident	11 Å²	11	20 Å²	20	11%	0.113	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.7	-170.7	176	0	0	0	0	0	114.7	V203 Q217	V203-G256 PolarHBondContact N-O 2.85Å; V203-G256 PolarHBondContact O-N 3.29Å; Q217-G256 CarbonylContact O-C 3.57Å; Q217-G256 WeakPolarHBondContact O-CA 3.5Å
257	K	91.9	Very high	88.3	Confident	50 Å²	50	20 Å²	20	22%	0.217	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.8	169.1	-65.4	-175.3	179.4	-171	0	109	I182 V200 C201 I216 Q217	I182-K257 HydrophobicContact CD1-CD 3.97Å; V200-K257 HydrophobicContact CG1-CB 4.42Å; C201-K257 WeakPolarHBondContact O-CA 2.98Å; I216-K257 HydrophobicContact CB-CB 4.31Å; I216-K257 PolarHBondContact N-O 3.35Å; Q217-K257 HydrophobicContact CB-CB 4.49Å; Q217-K257 PolarHBondContact N-O 3.42Å; Q217-K257 PolarHBondContact O-N 2.91Å
258	M	93.8	Very high	88	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	148.1	175.7	74.6	178.5	-153.4	0	0	112.3	V200 C201 V203 L209 I214 L245 V260	V200-M258 CarbonylContact C-O 3.54Å; V200-M258 VanDerWaalsContact CA-O 3.29Å; V200-M258 WeakPolarHBondContact CA-O 3.5Å; C201-M258 HydrophobicContact CB-CE 3.93Å; C201-M258 HydrophobicContact CB-CG 3.8Å; C201-M258 PolarHBondContact N-O 3.49Å; C201-M258 PolarHBondContact O-N 2.89Å; V203-M258 HydrophobicContact CG2-CB 4.49Å; V203-M258 HydrophobicContact CG2-CG 3.96Å; V203-M258 HydrophobicContact CG2-SD 3.96Å; L209-M258 HydrophobicContact CD2-SD 4.14Å; I214-M258 CarbonylContact O-C 3.37Å; I214-M258 WeakPolarHBondContact O-CA 3.42Å; I214-M258 WeakPolarHBondContact O-CB 3.35Å; L245-M258 HydrophobicContact CB-SD 4.07Å; L245-M258 HydrophobicContact CD1-CB 3.47Å; L245-M258 VanDerWaalsContact CD1-CB 3.47Å; L245-M258 HydrophobicContact CD1-CG 4.05Å; L245-M258 HydrophobicContact CD1-SD 3.49Å; L245-M258 WeakPolarHBondContact CD1-SD 3.36Å; L245-M258 HydrophobicContact CG-SD 4.46Å; M258-V260 HydrophobicContact CE-CG2 4.16Å
259	V	94.8	Very high	87.9	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	129.9	166	60.7	0	0	0	0	109.2	L54 L58 T60 D199 G213 I214 I216	L54-V259 HydrophobicContact CD2-CG1 4.44Å; L58-V259 HydrophobicContact CD1-CG2 4.02Å; T60-V259 HydrophobicContact CG2-CG2 4.01Å; D199-V259 WeakPolarHBondContact O-CA 3.31Å; G213-V259 CarbonylContact C-O 3.51Å; G213-V259 WeakPolarHBondContact CA-O 3.1Å; I214-V259 HydrophobicContact CB-CG1 4.01Å; I214-V259 PolarHBondContact N-O 3.44Å; I214-V259 PolarHBondContact O-N 3.19Å; I216-V259 HydrophobicContact CD1-CB 4.04Å; I216-V259 HydrophobicContact CG1-CB 4.27Å; I216-V259 HydrophobicContact CG1-CG1 4.38Å
260	V	95.4	Very high	87.6	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	126.4	179.2	177.6	0	0	0	0	110.4	I195 G198 D199 C201 A211 D212 M258 V263	I195-V260 HydrophobicContact CG2-CG1 4.33Å; I195-V260 HydrophobicContact CG2-CG2 3.84Å; G198-V260 PolarHBondContact N-O 3.41Å; D199-V260 HydrophobicContact CB-CG2 4.1Å; D199-V260 PolarHBondContact O-N 2.86Å; C201-V260 WeakPolarHBondContact SG-CG2 3.35Å; A211-V260 HydrophobicContact CB-CG1 3.78Å; A211-V260 HydrophobicContact CB-CG2 4.37Å; D212-V260 WeakPolarHBondContact O-CA 3.27Å; M258-V260 HydrophobicContact CE-CG2 4.16Å; V260-V263 HydrophobicContact CG1-CG1 3.56Å
261	T	93	Very high	87.5	Confident	1 Å²	1	21.8 Å²	21.8	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-35.5	-179.2	51.1	0	0	0	0	113.1	L29 L32 M33 L54 D212 G213 I214	L29-T261 WeakPolarHBondContact CB-O 3.46Å; L29-T261 WeakPolarHBondContact CD1-O 3.09Å; L29-T261 HydrophobicContact CD2-CG2 4.19Å; L32-T261 HydrophobicContact CD2-CG2 4.34Å; M33-T261 WeakPolarHBondContact CG-OG1 3.44Å; M33-T261 HydrophobicContact SD-CG2 4.42Å; M33-T261 PolarHBondContact SD-OG1 3.02Å; L54-T261 HydrophobicContact CD2-CG2 4.12Å; D212-T261 PolarHBondContact O-N 3.41Å; D212-T261 PolarHBondContact O-OG1 3.5Å; G213-T261 WeakPolarHBondContact CA-OG1 3.31Å; G213-T261 PolarHBondContact N-OG1 3.26Å; I214-T261 HydrophobicContact CG1-CG2 3.83Å
262	A	92.9	Very high	87.1	Confident	4 Å²	4	24.2 Å²	24.2	3%	0.033	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	143.5	177.4	0	0	0	0	0	112.8	D212 N266	D212-A262 HydrophobicContact CB-CB 4.05Å; D212-A262 PolarHBondContact N-O 3.18Å; D212-A262 PolarHBondContact O-N 2.94Å; A262-N266 HydrophobicContact CB-CB 4.48Å
263	V	93.5	Very high	86.6	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.149	C	C	.	.			trans	-130.1	154.2	-171.9	-65	0	0	0	0	111.9	G79 N81 V197 A211 V260 N266	G79-V263 WeakPolarHBondContact O-CG2 3.36Å; N81-V263 HydrophobicContact CB-CB 3.86Å; N81-V263 HydrophobicContact CB-CG1 4.23Å; V197-V263 HydrophobicContact CG2-CG1 4.07Å; V197-V263 HydrophobicContact CG2-CG2 4.05Å; A211-V263 HydrophobicContact CB-CG1 4.12Å; V260-V263 HydrophobicContact CG1-CG1 3.56Å; V263-N266 WeakPolarHBondContact O-CB 3.33Å; V263-N266 PolarHBondContact O-N 2.91Å
264	G	88.2	Confident	86.2	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	52.4	-130.9	173.4	0	0	0	0	0	112.1	N81 N266 S267 G270	N81-G264 PolarHBondContact OD1-N 2.83Å; G264-N266 PolarHBondContact O-N 3.28Å; G264-N266 VanDerWaalsContact O-N 3.11Å; G264-S267 PolarHBondContact O-N 3.19Å; G264-S267 VanDerWaalsContact O-N 3.14Å; G264-S267 PolarHBondContact O-OG 3.17Å; G264-G270 WeakPolarHBondContact O-CA 3.18Å
265	P	85.5	Confident	85.8	Confident	51 Å²	51	28.7 Å²	28.7	33%	0.331	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-67	-9.6	-178.8	31.4	-37.3	0	0	0	114.1	I271	P265-I271 WeakPolarHBondContact O-CG1 3.39Å
266	N	89.7	Confident	84.5	Confident	45 Å²	45	30.1 Å²	30.1	24%	0.241	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-89.3	-14.3	175.9	-71.5	-31.2	0	0	0	113.4	Q30 F78 A262 V263 G264	Q30-N266 WeakPolarHBondContact CG-O 3.5Å; Q30-N266 VanDerWaalsContact NE2-CA 3.35Å; Q30-N266 PolarHBondContact NE2-O 3.01Å; Q30-N266 PolarHBondContact NE2-OD1 3.1Å; F78-N266 PolarHBondContact O-ND2 3.34Å; A262-N266 HydrophobicContact CB-CB 4.48Å; V263-N266 WeakPolarHBondContact O-CB 3.33Å; V263-N266 PolarHBondContact O-N 2.91Å; G264-N266 PolarHBondContact O-N 3.28Å; G264-N266 VanDerWaalsContact O-N 3.11Å
267	S	90.2	Very high	82.8	Confident	1 Å²	1	31 Å²	31	1%	0.007	17%	0.172	C	C	.	.	S	Bend	trans	-73.5	157.9	173	67.5	0	0	0	0	112	D212 G264 A269 G270 I271	D212-S267 VanDerWaalsContact OD2-CA 3.26Å; D212-S267 WeakPolarHBondContact OD2-CA 3.46Å; G264-S267 PolarHBondContact O-N 3.19Å; G264-S267 VanDerWaalsContact O-N 3.14Å; G264-S267 PolarHBondContact O-OG 3.17Å; S267-A269 VanDerWaalsContact C-N 3.34Å; S267-A269 PolarHBondContact O-N 2.92Å; S267-G270 CarbonylContact O-C 3.54Å; S267-G270 WeakPolarHBondContact O-CA 3.38Å; S267-G270 PolarHBondContact O-N 2.92Å; S267-G270 PolarHBondContact OG-N 3.45Å; S267-G270 VanDerWaalsContact OG-N 3.12Å; S267-I271 VanDerWaalsContact O-CG1 3.32Å; S267-I271 WeakPolarHBondContact O-CG1 3.5Å; S267-I271 PolarHBondContact O-N 3.37Å
268	Q	85.6	Confident	80.9	Confident	27 Å²	27	31.7 Å²	31.7	13%	0.126	18%	0.183	C	C	.	.	H	α-helix	trans	-55.8	-45.8	178.6	-71.5	-70.6	-31.5	0	0	112.3	M33 D34 D212 L246 G270 I271 I272	M33-Q268 HydrophobicContact CB-CG 4.15Å; M33-Q268 PolarHBondContact O-NE2 3.19Å; D34-Q268 PolarHBondContact OD1-NE2 2.87Å; D212-Q268 WeakPolarHBondContact OD2-CG 3.37Å; D212-Q268 PolarHBondContact OD2-N 3.44Å; L246-Q268 HydrophobicContact CD2-CB 4.4Å; L246-Q268 HydrophobicContact CD2-CG 4.09Å; Q268-G270 PolarHBondContact O-N 3.1Å; Q268-I271 PolarHBondContact O-N 2.97Å; Q268-I272 WeakPolarHBondContact O-CD1 3.25Å; Q268-I272 WeakPolarHBondContact O-CG1 3.46Å; Q268-I272 PolarHBondContact O-N 2.99Å; Q268-I272 VanDerWaalsContact O-N 3.08Å
269	A	81.3	Confident	78.4	Confident	22 Å²	22	34.7 Å²	34.7	18%	0.182	21%	0.214	C	C	.	.	H	α-helix	trans	-62.4	-40.6	173.1	0	0	0	0	0	112.5	L228 S247 S267 I272 F273	L228-A269 HydrophobicContact CD2-CB 4.21Å; S247-A269 WeakPolarHBondContact O-CB 3.36Å; S267-A269 VanDerWaalsContact C-N 3.34Å; S267-A269 PolarHBondContact O-N 2.92Å; A269-I272 PolarHBondContact O-N 2.92Å; A269-F273 WeakPolarHBondContact O-CB 3.46Å; A269-F273 PolarHBondContact O-N 3.2Å
270	G	80.5	Confident	75.8	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-65.1	-38.1	176.7	0	0	0	0	0	113.9	G264 S267 Q268 F273 A274	G264-G270 WeakPolarHBondContact O-CA 3.18Å; S267-G270 CarbonylContact O-C 3.54Å; S267-G270 WeakPolarHBondContact O-CA 3.38Å; S267-G270 PolarHBondContact O-N 2.92Å; S267-G270 PolarHBondContact OG-N 3.45Å; S267-G270 VanDerWaalsContact OG-N 3.12Å; Q268-G270 PolarHBondContact O-N 3.1Å; G270-F273 PolarHBondContact O-N 3.49Å; G270-A274 VanDerWaalsContact O-CB 3.26Å; G270-A274 WeakPolarHBondContact O-CB 3.13Å; G270-A274 PolarHBondContact O-N 3.24Å
271	I	82.1	Confident	72.9	Confident	52 Å²	52	43.2 Å²	43.2	27%	0.267	26%	0.257	S	S	.	.	H	α-helix	trans	-64.8	-46.9	174.9	-67.9	164.6	0	0	0	109.8	Q30 P265 S267 Q268 F273 A274 L275	Q30-I271 HydrophobicContact CG-CD1 4.44Å; P265-I271 WeakPolarHBondContact O-CG1 3.39Å; S267-I271 VanDerWaalsContact O-CG1 3.32Å; S267-I271 WeakPolarHBondContact O-CG1 3.5Å; S267-I271 PolarHBondContact O-N 3.37Å; Q268-I271 PolarHBondContact O-N 2.97Å; I271-F273 PolarHBondContact O-N 2.85Å; I271-A274 PolarHBondContact O-N 3.04Å; I271-L275 HydrophobicContact CG2-CD1 4.04Å; I271-L275 VanDerWaalsContact O-CG 3.32Å; I271-L275 WeakPolarHBondContact O-CG 3.37Å; I271-L275 PolarHBondContact O-N 2.69Å
272	I	76.6	Confident	69.9	Low	50 Å²	50	50.2 Å²	50.2	26%	0.256	30%	0.295	S	S	.	.	H	α-helix	trans	-61.9	-44.4	176.9	-65.1	162.8	0	0	0	110.6	L228 Q268 A269 A274 L275 L276 L1153	L228-I272 HydrophobicContact CD2-CD1 3.9Å; Q268-I272 WeakPolarHBondContact O-CD1 3.25Å; Q268-I272 WeakPolarHBondContact O-CG1 3.46Å; Q268-I272 PolarHBondContact O-N 2.99Å; Q268-I272 VanDerWaalsContact O-N 3.08Å; A269-I272 PolarHBondContact O-N 2.92Å; I272-A274 PolarHBondContact O-N 3.18Å; I272-L275 PolarHBondContact O-N 2.92Å; I272-L276 HydrophobicContact CG2-CD1 4.06Å; I272-L276 WeakPolarHBondContact O-CG 3.05Å; I272-L276 PolarHBondContact O-N 3.43Å; I272-L1153 HydrophobicContact CG2-CD1 3.85Å
273	F	68.1	Low	66.9	Low	82 Å²	82	57.9 Å²	57.9	36%	0.36	33%	0.33	S	S	.	.	H	α-helix	trans	-63.1	-40.2	176.5	-170.6	-83.6	0	0	0	112.5	I83 A269 G270 I271 L276 S277	I83-F273 HydrophobicContact CG2-CD1 3.34Å; I83-F273 HydrophobicContact CG2-CE1 3.56Å; I83-F273 HydrophobicContact CG2-CG 4.04Å; I83-F273 HydrophobicContact CG2-CZ 4.4Å; A269-F273 WeakPolarHBondContact O-CB 3.46Å; A269-F273 PolarHBondContact O-N 3.2Å; G270-F273 PolarHBondContact O-N 3.49Å; I271-F273 PolarHBondContact O-N 2.85Å; F273-L276 PolarHBondContact O-N 3.25Å; F273-S277 WeakPolarHBondContact CE1-OG 3.41Å; F273-S277 WeakPolarHBondContact O-CB 3.32Å; F273-S277 PolarHBondContact O-N 3.06Å; F273-S277 PolarHBondContact O-OG 3.48Å
274	A	70.8	Confident	63.7	Low	45 Å²	45	65.7 Å²	65.7	37%	0.372	37%	0.366	S	S	.	.	H	α-helix	trans	-63.9	-41.9	176.1	0	0	0	0	0	111.8	G270 I271 I272 S277 S278	G270-A274 VanDerWaalsContact O-CB 3.26Å; G270-A274 WeakPolarHBondContact O-CB 3.13Å; G270-A274 PolarHBondContact O-N 3.24Å; I271-A274 PolarHBondContact O-N 3.04Å; I272-A274 PolarHBondContact O-N 3.18Å; A274-S277 PolarHBondContact O-N 3.28Å; A274-S278 WeakPolarHBondContact O-CB 3.45Å; A274-S278 PolarHBondContact O-N 2.78Å; A274-S278 PolarHBondContact O-OG 3.46Å
275	L	71.4	Confident	60.8	Low	112 Å²	112	69.1 Å²	69.1	59%	0.586	40%	0.402	S	S	*	.	H	α-helix	trans	-65.7	-40.4	176.3	-71.7	168	0	0	0	112.8	I271 I272 S277 S278 G279	I271-L275 HydrophobicContact CG2-CD1 4.04Å; I271-L275 VanDerWaalsContact O-CG 3.32Å; I271-L275 WeakPolarHBondContact O-CG 3.37Å; I271-L275 PolarHBondContact O-N 2.69Å; I272-L275 PolarHBondContact O-N 2.92Å; L275-S277 VanDerWaalsContact C-N 3.31Å; L275-S278 PolarHBondContact O-OG 2.93Å; L275-G279 PolarHBondContact O-N 3.49Å
276	L	60.9	Low	57.9	Low	78 Å²	78	71 Å²	71	41%	0.408	43%	0.43	S	S	.	.	H	α-helix	trans	-64.8	-36.9	173.1	-70	169.4	0	0	0	111.7	I272 F273 S280	I272-L276 HydrophobicContact CG2-CD1 4.06Å; I272-L276 WeakPolarHBondContact O-CG 3.05Å; I272-L276 PolarHBondContact O-N 3.43Å; F273-L276 PolarHBondContact O-N 3.25Å; L276-S280 PolarHBondContact O-OG 3.39Å
277	S	52.4	Low	54.8	Low	30 Å²	30	72.3 Å²	72.3	21%	0.21	45%	0.454	C	S	.	.	H	α-helix	trans	-73.8	-37	177.9	-60.1	0	0	0	0	112.9	F273 A274 L275 S280	F273-S277 WeakPolarHBondContact CE1-OG 3.41Å; F273-S277 WeakPolarHBondContact O-CB 3.32Å; F273-S277 PolarHBondContact O-N 3.06Å; F273-S277 PolarHBondContact O-OG 3.48Å; A274-S277 PolarHBondContact O-N 3.28Å; L275-S277 VanDerWaalsContact C-N 3.31Å; S277-S280 WeakPolarHBondContact O-CB 3.37Å; S277-S280 PolarHBondContact O-N 2.93Å
278	S	52.5	Low	51.7	Low	64 Å²	64	76 Å²	76	45%	0.448	49%	0.492	S	S	.	.	H	α-helix	trans	-75.1	-37.8	178.6	64	0	0	0	0	112.4	A274 L275 S280 H281	A274-S278 WeakPolarHBondContact O-CB 3.45Å; A274-S278 PolarHBondContact O-N 2.78Å; A274-S278 PolarHBondContact O-OG 3.46Å; L275-S278 PolarHBondContact O-OG 2.93Å; S278-S280 PolarHBondContact O-N 2.97Å; S278-H281 PolarHBondContact O-N 3.43Å
279	G	41.9	Very low	48.9	Very low	64 Å²	64	83.5 Å²	83.5	66%	0.66	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-6.4	174.2	0	0	0	0	0	114.7	L275	L275-G279 PolarHBondContact O-N 3.49Å
280	S	38.8	Very low	46.3	Very low	31 Å²	31	89.4 Å²	89.4	22%	0.217	55%	0.551	C	S	.	*	T	Hydrogen-bonded Turn	trans	-90.1	-2.9	173.5	-58.2	0	0	0	0	113.9	L276 S277 S278 L1147	L276-S280 PolarHBondContact O-OG 3.39Å; S277-S280 WeakPolarHBondContact O-CB 3.37Å; S277-S280 PolarHBondContact O-N 2.93Å; S278-S280 PolarHBondContact O-N 2.97Å; S280-L1147 WeakPolarHBondContact O-CD2 3.19Å
281	H	34.2	Very low	43.7	Very low	147 Å²	147	98.9 Å²	98.9	68%	0.681	59%	0.592	S	S	*	*	S	Bend	trans	-108.1	-12	-165.8	-108	-71	0	0	0	117.2	S278	S278-H281 PolarHBondContact O-N 3.43Å
282	D	31.4	Very low	41.1	Very low	148 Å²	148	103.5 Å²	103.5	79%	0.791	61%	0.61	S	S	*	*	S	Bend	trans	-93.5	-12.1	-164.6	-73.7	-32.5	0	0	0	116.9
283	E	29.4	Very low	38.7	Very low	165 Å²	165	109.5 Å²	109.5	77%	0.771	64%	0.635	S	S	*	*	S	Bend	trans	-91.8	-3.4	-175.2	-72.6	-153.1	144.9	0	0	116.2
284	H	26.7	Very low	36.8	Very low	164 Å²	164	115.2 Å²	115.2	76%	0.759	66%	0.663	S	S	*	*			trans	-124.1	47.5	179	-87.4	20	0	0	0	113.5
285	G	27	Very low	34.5	Very low	73 Å²	73	122.3 Å²	122.3	75%	0.753	69%	0.685	S	S	*	*			trans	-98.1	7.7	173.5	0	0	0	0	0	116.1	G287	G285-G287 PolarHBondContact O-N 2.88Å
286	G	24.8	Very low	32.5	Very low	90 Å²	90	122.8 Å²	122.8	93%	0.928	70%	0.697	S	S	*	*			trans	-77.3	73.8	-176	0	0	0	0	0	114.1
287	G	24.4	Very low	30.8	Very low	72 Å²	72	128.4 Å²	128.4	74%	0.742	72%	0.719	S	S	*	*	S	Bend	trans	-164	62.9	-171.9	0	0	0	0	0	116.8	G285	G285-G287 PolarHBondContact O-N 2.88Å
288	G	25.1	Very low	29.7	Very low	79 Å²	79	133.7 Å²	133.7	81%	0.814	75%	0.75	S	S	*	*			trans	39	94.2	154.9	0	0	0	0	0	120.3
289	Q	27.4	Very low	28.3	Very low	184 Å²	184	139.8 Å²	139.8	86%	0.86	77%	0.768	S	S	*	*			trans	-88.6	117	146.1	-86.4	-167.6	-8.8	0	0	110.1	K291	Q289-K291 PolarHBondContact O-N 2.99Å
290	E	25.6	Very low	27.6	Very low	146 Å²	146	146.1 Å²	146.1	68%	0.682	78%	0.778	S	S	*	*			trans	-67	96.9	169.8	-74.5	-167	109	0	0	111.3	K292	E290-K292 PolarHBondContact O-N 3.35Å; E290-K292 WeakPolarHBondContact OE1-CE 3.14Å; E290-K292 IonicContact OE1-NZ 3.04Å; E290-K292 PolarHBondContact OE1-NZ 3.44Å; E290-K292 IonicContact OE2-NZ 3.1Å; E290-K292 PolarHBondContact OE2-NZ 3.31Å
291	K	25.4	Very low	26.8	Very low	200 Å²	200	152.7 Å²	152.7	87%	0.87	81%	0.81	S	S	*	*			trans	-74.5	79.1	159.3	-82	-168.1	172.5	-176.9	0	110.3	Q289 K293	Q289-K291 PolarHBondContact O-N 2.99Å; K291-K293 PolarHBondContact O-N 3.31Å
292	K	29	Very low	26.5	Very low	149 Å²	149	149.5 Å²	149.5	65%	0.648	82%	0.817	S	S	*	*			trans	-65	101	170.9	-90.7	173.7	174.9	131.9	0	110.7	E290	E290-K292 PolarHBondContact O-N 3.35Å; E290-K292 WeakPolarHBondContact OE1-CE 3.14Å; E290-K292 IonicContact OE1-NZ 3.04Å; E290-K292 PolarHBondContact OE1-NZ 3.44Å; E290-K292 IonicContact OE2-NZ 3.1Å; E290-K292 PolarHBondContact OE2-NZ 3.31Å
293	K	25.5	Very low	26.1	Very low	177 Å²	177	151.8 Å²	151.8	77%	0.77	82%	0.82	S	S	*	*			trans	39.5	100.6	146.7	-60.5	170.1	-177.8	167.5	0	116.8	K291	K291-K293 PolarHBondContact O-N 3.31Å
294	E	27.2	Very low	25.8	Very low	202 Å²	202	153.9 Å²	153.9	94%	0.944	83%	0.827	S	S	*	*				-104.3	149.7	127.2	-91.8	-166.6	135	0	0	109.7
295	K	24.3	Very low	25.8	Very low	193 Å²	193	149.8 Å²	149.8	84%	0.839	83%	0.829	S	S	*	*			trans	-125.8	110.3	-176.5	-81.3	-177.5	173.3	179.9	0	110.2
296	S	28.7	Very low	25.6	Very low	122 Å²	122	152.8 Å²	152.8	85%	0.853	83%	0.827	S	S	*	*			trans	-146.1	149.2	152.5	58.4	0	0	0	0	111.4
297	K	25.9	Very low	25.8	Very low	197 Å²	197	157 Å²	157	86%	0.857	82%	0.82	S	S	*	*			trans	-76.6	157.8	-176.3	-57	153.3	-176.9	171.7	0	107.9
298	T	27.9	Very low	25.9	Very low	140 Å²	140	160.3 Å²	160.3	86%	0.859	82%	0.821	S	S	*	*				-166.7	167.1	57.8	-59.7	0	0	0	0	111.9
299	K	23.5	Very low	26	Very low	192 Å²	192	161.2 Å²	161.2	84%	0.835	82%	0.815	S	S	*	*			trans	-88.7	168.3	-177.4	-70.2	177.6	169.8	176.2	0	114.5
300	K	27.5	Very low	26	Very low	197 Å²	197	158.8 Å²	158.8	86%	0.857	81%	0.808	S	S	*	*			trans	95.3	122.6	147	-82.5	-178.7	173.2	-177.1	0	120.4
301	N	22.3	Very low	26.1	Very low	169 Å²	169	161.1 Å²	161.1	90%	0.904	82%	0.816	S	S	*	*			trans	-13.4	139.2	154.2	-51.2	1.7	0	0	0	119.2
302	G	27.8	Very low	26.1	Very low	80 Å²	80	157.7 Å²	157.7	83%	0.825	81%	0.811	S	S	*	*			trans	-142.3	163.1	160.7	0	0	0	0	0	111.3
303	K	23.8	Very low	26	Very low	197 Å²	197	156.5 Å²	156.5	86%	0.857	82%	0.819	S	S	*	*			trans	-132.5	139.1	-168.8	-129.1	-177.9	-172.6	175.1	0	111.5
304	K	22.9	Very low	26	Very low	209 Å²	209	153.4 Å²	153.4	91%	0.909	82%	0.819	S	S	*	*			trans	61.5	147.3	163.1	-62.9	-177.8	169.6	-172	0	117.6
305	G	26	Very low	26.1	Very low	78 Å²	78	148.4 Å²	148.4	80%	0.804	81%	0.813	S	S	*	*			trans	178.7	33.5	176.7	0	0	0	0	0	118.7
306	N	23.6	Very low	26.2	Very low	135 Å²	135	145.9 Å²	145.9	72%	0.722	81%	0.809	S	S	*	*			trans	-46.6	134.3	-179.6	176.7	38	0	0	0	117
307	K	29.3	Very low	25.9	Very low	179 Å²	179	145.6 Å²	145.6	78%	0.778	81%	0.806	S	S	*	*				-179.9	134.1	125.2	-101.2	171.6	-178.3	-175.3	0	115.5
308	N	24.9	Very low	25.9	Very low	141 Å²	141	142.8 Å²	142.8	75%	0.754	80%	0.801	S	S	*	*			trans	32.5	139.4	136.1	-63.2	29.8	0	0	0	120.8
309	S	26.9	Very low	25.7	Very low	99 Å²	99	140.1 Å²	140.1	69%	0.692	79%	0.793	S	S	*	*			cis	-153.3	-155.7	4.2	47.7	0	0	0	0	109.9
310	D	27.6	Very low	25.8	Very low	133 Å²	133	140.4 Å²	140.4	71%	0.711	79%	0.79	S	S	*	*			cis	-163.1	177.8	13.7	-140.3	-63.6	0	0	0	113.1
311	K	28.7	Very low	25.5	Very low	194 Å²	194	138.2 Å²	138.2	84%	0.843	78%	0.783	S	S	*	*			trans	54.6	115.8	166.9	-70.3	-176	177.4	177.1	0	120.8
312	V	24.3	Very low	25.7	Very low	129 Å²	129	139.4 Å²	139.4	78%	0.782	79%	0.785	S	S	*	*			trans	-103.7	162.3	155.5	-137.9	0	0	0	0	108.3
313	P	28	Very low	25.5	Very low	124 Å²	124	144.1 Å²	144.1	81%	0.805	78%	0.783	S	S	*	*				-130.7	148.4	77.5	14.4	8.6	0	0	0	112.7
314	S	24.1	Very low	25.6	Very low	111 Å²	111	138.4 Å²	138.4	78%	0.776	77%	0.768	S	S	*	*			cis	80.5	87.7	50	-174.6	0	0	0	0	114.2
315	A	29.3	Very low	25.6	Very low	98 Å²	98	137.3 Å²	137.3	81%	0.81	76%	0.763	S	S	*	*			trans	-153	138.7	154.8	0	0	0	0	0	110.2
316	N	26.6	Very low	25.7	Very low	140 Å²	140	141.4 Å²	141.4	75%	0.749	77%	0.767	S	S	*	*			trans	-47.1	141.3	-159.8	-61.7	23.2	0	0	0	118.8	D318	N316-D318 PolarHBondContact ND2-OD2 2.88Å
317	S	22.8	Very low	25.8	Very low	115 Å²	115	142.5 Å²	142.5	80%	0.804	77%	0.765	S	S	*	*			trans	-96	127.7	136.1	58.8	0	0	0	0	109.1
318	D	26.7	Very low	25.6	Very low	139 Å²	139	141 Å²	141	74%	0.743	77%	0.771	S	S	*	*			trans	-128.6	153.7	165.5	-83.5	-60.2	0	0	0	109.7	N316	N316-D318 PolarHBondContact ND2-OD2 2.88Å
319	A	24	Very low	25.6	Very low	84 Å²	84	140.9 Å²	140.9	69%	0.694	76%	0.764	S	S	*	*			trans	-152	169	-168.8	0	0	0	0	0	113.3
320	Y	24.2	Very low	25.5	Very low	197 Å²	197	141.8 Å²	141.8	77%	0.773	77%	0.771	S	S	*	*			trans	79.2	109.7	171	-76.4	-93.7	0	0	0	119.5
321	Q	22.1	Very low	25.3	Very low	152 Å²	152	142.2 Å²	142.2	71%	0.71	77%	0.768	S	S	*	*			trans	49.8	129.2	132.8	-62.5	-176.2	25	0	0	121
322	M	26.5	Very low	25	Very low	193 Å²	193	137.7 Å²	137.7	95%	0.951	76%	0.761	S	S	*	*				-138.2	152.3	128.4	-139.6	173.9	-174	0	0	112.5
323	K	23	Very low	25.2	Very low	179 Å²	179	138.7 Å²	138.7	78%	0.778	76%	0.762	S	S	*	*			trans	-91.8	176.1	167	-47.4	167	178	163.1	0	106.9
324	S	25.4	Very low	24.9	Very low	78 Å²	78	136.9 Å²	136.9	55%	0.545	76%	0.758	S	S	.	*			cis	-167.7	156.8	-0.2	105	0	0	0	0	109.7
325	K	24.1	Very low	25	Very low	185 Å²	185	139.8 Å²	139.8	80%	0.804	76%	0.759	S	S	*	*			trans	58.8	133.3	156	-61.7	164.7	-162.6	164.9	0	118.8
326	N	27.2	Very low	24.7	Very low	165 Å²	165	144.4 Å²	144.4	88%	0.882	76%	0.764	S	S	*	*				-136	161.6	99.5	-145.3	-19.3	0	0	0	110.5
327	K	25.4	Very low	24.7	Very low	158 Å²	158	141.9 Å²	141.9	69%	0.687	76%	0.757	S	S	*	*			trans	-113.4	147.7	-176.8	-88.3	-175.9	173.9	-178.8	0	111.1
328	T	26.1	Very low	24.7	Very low	147 Å²	147	141.9 Å²	141.9	90%	0.902	76%	0.757	S	S	*	*			trans	-118	139.1	138.2	36.7	0	0	0	0	109
329	K	24.1	Very low	24.6	Very low	138 Å²	138	144.5 Å²	144.5	60%	0.6	76%	0.762	S	S	*	*			trans	-101.5	149.1	176.7	-96.3	-174.8	161.3	-156.4	0	109.3	E331	K329-E331 WeakPolarHBondContact CD-OE2 3.29Å; K329-E331 WeakPolarHBondContact CE-OE1 3.25Å; K329-E331 WeakPolarHBondContact CE-OE2 3.38Å; K329-E331 IonicContact NZ-OE1 2.76Å; K329-E331 PolarHBondContact NZ-OE1 2.91Å; K329-E331 IonicContact NZ-OE2 3.34Å; K329-E331 PolarHBondContact NZ-OE2 2.93Å
330	S	25.5	Very low	24.7	Very low	119 Å²	119	146 Å²	146	83%	0.832	77%	0.765	S	S	*	*				-144	128.9	128.5	52.1	0	0	0	0	108.5
331	E	22.7	Very low	24.7	Very low	141 Å²	141	146.4 Å²	146.4	66%	0.659	77%	0.771	S	S	*	*			trans	-81.7	165.4	162.7	-76	128.7	156.5	0	0	109	K329	K329-E331 WeakPolarHBondContact CD-OE2 3.29Å; K329-E331 WeakPolarHBondContact CE-OE1 3.25Å; K329-E331 WeakPolarHBondContact CE-OE2 3.38Å; K329-E331 IonicContact NZ-OE1 2.76Å; K329-E331 PolarHBondContact NZ-OE1 2.91Å; K329-E331 IonicContact NZ-OE2 3.34Å; K329-E331 PolarHBondContact NZ-OE2 2.93Å
332	S	23.3	Very low	24.9	Very low	99 Å²	99	148.4 Å²	148.4	69%	0.692	78%	0.777	S	S	*	*			cis	-121	-160	8.1	62.6	0	0	0	0	110.5
333	D	27.2	Very low	24.8	Very low	150 Å²	150	148.2 Å²	148.2	80%	0.802	77%	0.771	S	S	*	*			cis	-152.3	-177.2	8.5	-137	-53.8	0	0	0	112.6
334	A	22.1	Very low	25	Very low	87 Å²	87	145.4 Å²	145.4	72%	0.719	77%	0.771	S	S	*	*			trans	-115	128	-174.9	0	0	0	0	0	113.9
335	E	26.1	Very low	25.5	Very low	171 Å²	171	150.2 Å²	150.2	80%	0.799	78%	0.777	S	S	*	*			trans	-135.4	118.2	158.8	-156.9	-170.9	-126	0	0	111.3	S337	E335-S337 PolarHBondContact O-N 2.82Å
336	Q	22.8	Very low	25.9	Very low	196 Å²	196	152.3 Å²	152.3	92%	0.916	78%	0.78	S	S	*	*			trans	-79.4	78.2	-176.2	-67.6	-174.3	-0.3	0	0	112.3	S338	Q336-S338 PolarHBondContact O-N 3.44Å
337	S	27.1	Very low	26.3	Very low	86 Å²	86	152.8 Å²	152.8	60%	0.601	77%	0.774	S	S	*	*			trans	-80.7	108.7	172.5	62.9	0	0	0	0	112.5	E335 K339	E335-S337 PolarHBondContact O-N 2.82Å; S337-K339 PolarHBondContact O-N 2.63Å
338	S	24.1	Very low	27.3	Very low	116 Å²	116	151.1 Å²	151.1	81%	0.811	77%	0.769	S	S	*	*			trans	-68.7	97.3	178.9	49.6	0	0	0	0	111.7	Q336 P340	Q336-S338 PolarHBondContact O-N 3.44Å; S338-P340 WeakPolarHBondContact O-CD 3.25Å; S338-P340 VanDerWaalsContact O-N 3.15Å
339	K	24.6	Very low	28.6	Very low	193 Å²	193	149.9 Å²	149.9	84%	0.839	75%	0.753	S	S	*	*			trans	-57.3	118.1	177.5	-73.1	-178.5	179.2	174.7	0	110.4	S337 K341	S337-K339 PolarHBondContact O-N 2.63Å; K339-K341 PolarHBondContact O-N 3.04Å
340	P	25	Very low	30.6	Very low	117 Å²	117	143.5 Å²	143.5	76%	0.76	73%	0.725	S	S	*	*			trans	-67.2	132.3	179.8	27	-33.8	0	0	0	109.8	S338 K342	S338-P340 WeakPolarHBondContact O-CD 3.25Å; S338-P340 VanDerWaalsContact O-N 3.15Å; P340-K342 PolarHBondContact O-N 3.03Å
341	K	24.2	Very low	32.7	Very low	205 Å²	205	139.5 Å²	139.5	89%	0.891	70%	0.696	S	S	*	*			trans	-62.1	94.4	177.4	-68.5	-179.2	179.5	177.2	0	110	K339 K343	K339-K341 PolarHBondContact O-N 3.04Å; K341-K343 PolarHBondContact O-N 3.17Å
342	K	26	Very low	35.2	Very low	194 Å²	194	132.8 Å²	132.8	84%	0.843	67%	0.665	S	S	*	*			trans	-56.4	108.9	170.8	-79	-173.8	176.2	-179.3	0	108.2	P340	P340-K342 PolarHBondContact O-N 3.03Å
343	K	25.3	Very low	37.6	Very low	189 Å²	189	131.5 Å²	131.5	82%	0.822	65%	0.647	S	S	*	*			trans	-66.4	143.8	168.9	-68.6	179.1	178.4	176.8	0	108.2	K341 R345	K341-K343 PolarHBondContact O-N 3.17Å; K343-R345 PolarHBondContact O-N 3.17Å
344	P	26.6	Very low	39.7	Very low	120 Å²	120	126.5 Å²	126.5	78%	0.779	63%	0.627	S	S	*	*			trans	-58.1	133.7	176.6	24.4	-33.7	0	0	0	109.8	R346	P344-R346 PolarHBondContact O-N 2.69Å
345	R	36.4	Very low	42.5	Very low	179 Å²	179	124.4 Å²	124.4	68%	0.675	60%	0.602	S	S	*	*			trans	-64.5	107.8	169.5	-87.5	178.8	132.2	171.7	-9	107.8	K343 E348	K343-R345 PolarHBondContact O-N 3.17Å; R345-E348 IonicContact CZ-OE1 2.7Å; R345-E348 VanDerWaalsContact CZ-OE1 3.22Å; R345-E348 IonicContact NE-OE1 2.67Å; R345-E348 PolarHBondContact NE-OE1 3.35Å; R345-E348 IonicContact NH2-OE1 2.96Å; R345-E348 PolarHBondContact NH2-OE1 3.33Å
346	R	31.2	Very low	45	Very low	229 Å²	229	116.5 Å²	116.5	86%	0.864	57%	0.565	S	S	*	*			trans	-57.3	146.6	156.9	-65.6	176.6	172.6	178.8	-5.5	107.1	P344 E348	P344-R346 PolarHBondContact O-N 2.69Å; R346-E348 PolarHBondContact O-N 3.35Å
347	K	36.8	Very low	47.6	Very low	175 Å²	175	109.6 Å²	109.6	76%	0.761	54%	0.536	S	S	*	.			trans	-46.4	116.4	166.7	-71.5	-173.6	175.1	-176.9	0	107.6	Q349	K347-Q349 VanDerWaalsContact C-N 3.29Å; K347-Q349 PolarHBondContact O-N 2.97Å
348	E	46.5	Very low	50.2	Low	123 Å²	123	111.9 Å²	111.9	58%	0.575	54%	0.535	S	S	*	.			trans	-73.6	90.2	-175.9	-69.2	-170.4	-144.8	0	0	106.8	R345 R346 S350	R345-E348 IonicContact CZ-OE1 2.7Å; R345-E348 VanDerWaalsContact CZ-OE1 3.22Å; R345-E348 IonicContact NE-OE1 2.67Å; R345-E348 PolarHBondContact NE-OE1 3.35Å; R345-E348 IonicContact NH2-OE1 2.96Å; R345-E348 PolarHBondContact NH2-OE1 3.33Å; R346-E348 PolarHBondContact O-N 3.35Å; E348-S350 PolarHBondContact O-N 3.18Å
349	Q	53.4	Low	52.9	Low	121 Å²	121	107.7 Å²	107.7	57%	0.565	50%	0.504	S	S	*	.			trans	-47.5	137.1	180	-64	-174.9	-67.8	0	0	110	K347	K347-Q349 VanDerWaalsContact C-N 3.29Å; K347-Q349 PolarHBondContact O-N 2.97Å
350	S	65.9	Low	55.5	Low	4 Å²	4	100 Å²	100	3%	0.028	48%	0.476	C	S	.	.			trans	-54.5	152.3	-175.5	82	0	0	0	0	111.6	E348 L352 Q353 A354 E451	E348-S350 PolarHBondContact O-N 3.18Å; S350-L352 PolarHBondContact O-N 2.72Å; S350-L352 VanDerWaalsContact O-N 3.11Å; S350-Q353 PolarHBondContact O-N 3.46Å; S350-Q353 VanDerWaalsContact OG-CB 3.27Å; S350-Q353 WeakPolarHBondContact OG-CB 3.28Å; S350-Q353 WeakPolarHBondContact OG-CG 3.44Å; S350-Q353 PolarHBondContact OG-N 3.41Å; S350-Q353 VanDerWaalsContact OG-N 3.1Å; S350-A354 PolarHBondContact O-N 3.25Å; S350-E451 WeakPolarHBondContact CB-OE2 3.47Å; S350-E451 PolarHBondContact OG-OE1 2.83Å; S350-E451 PolarHBondContact OG-OE2 3.23Å
351	V	70.6	Confident	58.1	Low	34 Å²	34	97.1 Å²	97.1	21%	0.206	45%	0.454	C	S	.	.	H	α-helix	trans	-59.9	-32	-170.8	179.6	0	0	0	0	111	K355 E451	V351-K355 WeakPolarHBondContact O-CD 3.34Å; V351-K355 VanDerWaalsContact O-CG 3.24Å; V351-K355 WeakPolarHBondContact O-CG 3.42Å; V351-E451 PolarHBondContact N-OE1 3.37Å
352	L	74	Confident	61	Low	1 Å²	1	92.5 Å²	92.5	1%	0.005	44%	0.436	C	S	.	.	H	α-helix	trans	-80	-44.7	172.7	-171.8	55	0	0	0	112.7	S350 A354 K355 L356 E451 Y850 I853 L924	S350-L352 PolarHBondContact O-N 2.72Å; S350-L352 VanDerWaalsContact O-N 3.11Å; L352-A354 VanDerWaalsContact C-N 3.25Å; L352-A354 PolarHBondContact O-N 2.85Å; L352-K355 WeakPolarHBondContact O-CB 3.13Å; L352-K355 PolarHBondContact O-N 2.83Å; L352-L356 HydrophobicContact CD1-CD1 4.1Å; L352-L356 HydrophobicContact CD1-CG 3.99Å; L352-L356 HydrophobicContact CD2-CD1 4.49Å; L352-L356 HydrophobicContact CG-CD1 3.74Å; L352-L356 HydrophobicContact CG-CG 4.13Å; L352-L356 WeakPolarHBondContact O-CB 3.34Å; L352-L356 WeakPolarHBondContact O-CG 3.32Å; L352-L356 PolarHBondContact O-N 2.84Å; L352-E451 HydrophobicContact CB-CG 4.01Å; L352-E451 WeakPolarHBondContact CB-OE1 3.35Å; L352-E451 WeakPolarHBondContact CB-OE2 3.36Å; L352-E451 HydrophobicContact CD2-CG 4.22Å; L352-E451 PolarHBondContact N-OE1 2.83Å; L352-Y850 HydrophobicContact CD1-CD2 4.25Å; L352-Y850 HydrophobicContact CD1-CE2 4.04Å; L352-Y850 HydrophobicContact CD2-CD2 4.11Å; L352-I853 HydrophobicContact CD2-CB 4.24Å; L352-I853 HydrophobicContact CD2-CD1 3.52Å; L352-I853 HydrophobicContact CD2-CG1 4.48Å; L352-I853 HydrophobicContact CD2-CG2 4.04Å; L352-L924 HydrophobicContact CD1-CD1 3.43Å; L352-L924 VanDerWaalsContact CD1-CD1 3.43Å; L352-L924 HydrophobicContact CD1-CD2 4Å; L352-L924 HydrophobicContact CD1-CG 4.35Å
353	Q	73	Confident	63.8	Low	71 Å²	71	84.3 Å²	84.3	33%	0.332	40%	0.401	S	S	.	.	H	α-helix	trans	-56.1	-39.9	176.5	-78.7	176.8	8.5	0	0	112.1	S350 T357 V426	S350-Q353 PolarHBondContact O-N 3.46Å; S350-Q353 VanDerWaalsContact OG-CB 3.27Å; S350-Q353 WeakPolarHBondContact OG-CB 3.28Å; S350-Q353 WeakPolarHBondContact OG-CG 3.44Å; S350-Q353 PolarHBondContact OG-N 3.41Å; S350-Q353 VanDerWaalsContact OG-N 3.1Å; Q353-T357 VanDerWaalsContact O-CB 3.27Å; Q353-T357 WeakPolarHBondContact O-CB 3.45Å; Q353-T357 PolarHBondContact O-N 2.97Å; Q353-T357 PolarHBondContact O-OG1 3.14Å; Q353-V426 HydrophobicContact CG-CG1 4.45Å
354	A	73.2	Confident	66.5	Low	45 Å²	45	76.1 Å²	76.1	37%	0.372	37%	0.369	S	S	.	.	H	α-helix	trans	-66.3	-39.2	176.1	0	0	0	0	0	112.6	S350 L352 K358	S350-A354 PolarHBondContact O-N 3.25Å; L352-A354 VanDerWaalsContact C-N 3.25Å; L352-A354 PolarHBondContact O-N 2.85Å; A354-K358 PolarHBondContact O-N 3.4Å
355	K	80.9	Confident	69.3	Low	43 Å²	43	74.9 Å²	74.9	19%	0.187	35%	0.35	C	S	.	.	H	α-helix	trans	-67.6	-44.5	175.1	-72.5	172.4	-170.1	-172.4	0	111.6	V351 L352 K358 L359 R920 Q922	V351-K355 WeakPolarHBondContact O-CD 3.34Å; V351-K355 VanDerWaalsContact O-CG 3.24Å; V351-K355 WeakPolarHBondContact O-CG 3.42Å; L352-K355 WeakPolarHBondContact O-CB 3.13Å; L352-K355 PolarHBondContact O-N 2.83Å; K355-K358 PolarHBondContact O-N 2.7Å; K355-L359 WeakPolarHBondContact O-CB 3.42Å; K355-L359 PolarHBondContact O-N 2.63Å; K355-R920 VanDerWaalsContact CE-O 3.28Å; K355-R920 WeakPolarHBondContact CE-O 3.17Å; K355-R920 PolarHBondContact NZ-O 2.82Å; K355-Q922 PolarHBondContact NZ-O 2.97Å
356	L	77.4	Confident	71.8	Confident	5 Å²	5	70.5 Å²	70.5	3%	0.026	34%	0.343	C	S	.	.	H	α-helix	trans	-66.7	-46.9	-179.7	-76.9	175.9	0	0	0	112.4	L352 K358 L359 A360 L422 V426 I853 L857 L924	L352-L356 HydrophobicContact CD1-CD1 4.1Å; L352-L356 HydrophobicContact CD1-CG 3.99Å; L352-L356 HydrophobicContact CD2-CD1 4.49Å; L352-L356 HydrophobicContact CG-CD1 3.74Å; L352-L356 HydrophobicContact CG-CG 4.13Å; L352-L356 WeakPolarHBondContact O-CB 3.34Å; L352-L356 WeakPolarHBondContact O-CG 3.32Å; L352-L356 PolarHBondContact O-N 2.84Å; L356-K358 PolarHBondContact O-N 3.41Å; L356-L359 PolarHBondContact O-N 3.13Å; L356-A360 PolarHBondContact O-N 3.48Å; L356-L422 HydrophobicContact CB-CD2 3.96Å; L356-L422 HydrophobicContact CD1-CD2 4.3Å; L356-L422 HydrophobicContact CD2-CD1 4.22Å; L356-L422 HydrophobicContact CD2-CD2 3.94Å; L356-L422 HydrophobicContact CD2-CG 4.2Å; L356-L422 HydrophobicContact CG-CD2 4.31Å; L356-V426 HydrophobicContact CD1-CG2 3.2Å; L356-I853 HydrophobicContact CD1-CG2 4.07Å; L356-I853 HydrophobicContact CD2-CG2 4.46Å; L356-L857 HydrophobicContact CD2-CD1 4.02Å; L356-L924 HydrophobicContact CD2-CD2 3.41Å; L356-L924 VanDerWaalsContact CD2-CD2 3.41Å; L356-L924 HydrophobicContact CG-CD2 4.04Å
357	T	76.9	Confident	74.4	Confident	52 Å²	52	59.6 Å²	59.6	32%	0.319	30%	0.302	S	S	.	.	H	α-helix	trans	-55.2	-43.6	174.5	-58.1	0	0	0	0	110.9	Q353 I361	Q353-T357 VanDerWaalsContact O-CB 3.27Å; Q353-T357 WeakPolarHBondContact O-CB 3.45Å; Q353-T357 PolarHBondContact O-N 2.97Å; Q353-T357 PolarHBondContact O-OG1 3.14Å; T357-I361 HydrophobicContact CG2-CD1 4.1Å; T357-I361 WeakPolarHBondContact O-CD1 3.4Å; T357-I361 VanDerWaalsContact O-CG1 3.27Å; T357-I361 WeakPolarHBondContact O-CG1 3.4Å; T357-I361 PolarHBondContact O-N 3.14Å
358	K	81.4	Confident	76.8	Confident	134 Å²	134	53.5 Å²	53.5	58%	0.583	28%	0.279	S	S	*	.	H	α-helix	trans	-65	-42.3	176.2	-176.7	-175.9	173.5	-171.6	0	112	A354 K355 L356 Q362	A354-K358 PolarHBondContact O-N 3.4Å; K355-K358 PolarHBondContact O-N 2.7Å; L356-K358 PolarHBondContact O-N 3.41Å; K358-Q362 WeakPolarHBondContact O-CG 3.46Å; K358-Q362 PolarHBondContact O-N 3.33Å; K358-Q362 VanDerWaalsContact O-N 3.1Å
359	L	82.1	Confident	78.9	Confident	27 Å²	27	51.9 Å²	51.9	14%	0.141	28%	0.28	C	S	.	.	H	α-helix	trans	-65.3	-48.1	179.5	178.4	60.3	0	0	0	111.8	K355 L356 I361 Q362 I363 L857 L924 I925	K355-L359 WeakPolarHBondContact O-CB 3.42Å; K355-L359 PolarHBondContact O-N 2.63Å; L356-L359 PolarHBondContact O-N 3.13Å; L359-I361 VanDerWaalsContact C-N 3.29Å; L359-I361 PolarHBondContact O-N 3.06Å; L359-Q362 WeakPolarHBondContact O-CA 3.15Å; L359-Q362 WeakPolarHBondContact O-CB 3.18Å; L359-Q362 PolarHBondContact O-N 3.37Å; L359-I363 HydrophobicContact CD1-CD1 4.13Å; L359-I363 HydrophobicContact CD1-CG1 4.18Å; L359-I363 HydrophobicContact CG-CD1 3.87Å; L359-I363 HydrophobicContact CG-CG1 4.39Å; L359-I363 WeakPolarHBondContact O-CG1 3.28Å; L359-I363 PolarHBondContact O-N 3.38Å; L359-L857 HydrophobicContact CD2-CD1 3.85Å; L359-L857 HydrophobicContact CD2-CD2 3.7Å; L359-L857 HydrophobicContact CD2-CG 4.27Å; L359-L924 HydrophobicContact CD2-CD2 4.28Å; L359-I925 HydrophobicContact CD1-CD1 4.25Å; L359-I925 HydrophobicContact CD2-CD1 4.33Å
360	A	78.7	Confident	80.6	Confident	32 Å²	32	47.6 Å²	47.6	26%	0.264	26%	0.262	S	S	.	.	H	α-helix	trans	-56.8	-42.1	176.7	0	0	0	0	0	112	L356 Q362 I363 G364	L356-A360 PolarHBondContact O-N 3.48Å; A360-Q362 VanDerWaalsContact C-N 3.34Å; A360-Q362 PolarHBondContact O-N 2.9Å; A360-I363 PolarHBondContact O-N 3.04Å; A360-G364 PolarHBondContact O-N 3.49Å
361	I	79.8	Confident	81.7	Confident	57 Å²	57	47.7 Å²	47.7	29%	0.292	26%	0.263	S	S	.	.	H	α-helix	trans	-60.9	-41.1	173.1	-70.9	167.2	0	0	0	111.7	T357 L359 Y365	T357-I361 HydrophobicContact CG2-CD1 4.1Å; T357-I361 WeakPolarHBondContact O-CD1 3.4Å; T357-I361 VanDerWaalsContact O-CG1 3.27Å; T357-I361 WeakPolarHBondContact O-CG1 3.4Å; T357-I361 PolarHBondContact O-N 3.14Å; L359-I361 VanDerWaalsContact C-N 3.29Å; L359-I361 PolarHBondContact O-N 3.06Å; I361-Y365 HydrophobicContact CG2-CD2 3.95Å; I361-Y365 HydrophobicContact CG2-CE2 3.43Å; I361-Y365 VanDerWaalsContact CG2-CE2 3.43Å; I361-Y365 WeakPolarHBondContact O-CD2 3.44Å; I361-Y365 PolarHBondContact O-N 3Å
362	Q	85	Confident	82.6	Confident	108 Å²	108	50.5 Å²	50.5	51%	0.505	28%	0.276	S	S	.	.	H	α-helix	trans	-67.5	-40.3	177.3	-71.6	-174.9	-109.1	0	0	112.5	K358 L359 A360 V366	K358-Q362 WeakPolarHBondContact O-CG 3.46Å; K358-Q362 PolarHBondContact O-N 3.33Å; K358-Q362 VanDerWaalsContact O-N 3.1Å; L359-Q362 WeakPolarHBondContact O-CA 3.15Å; L359-Q362 WeakPolarHBondContact O-CB 3.18Å; L359-Q362 PolarHBondContact O-N 3.37Å; A360-Q362 VanDerWaalsContact C-N 3.34Å; A360-Q362 PolarHBondContact O-N 2.9Å; Q362-V366 PolarHBondContact O-N 3.49Å
363	I	84.3	Confident	83.4	Confident	22 Å²	22	52 Å²	52	11%	0.113	29%	0.289	C	S	.	.	H	α-helix	trans	-64.7	-47.9	176.1	-60.8	163.1	0	0	0	109.9	L359 A360 Y365 V366 G367 A417 P419 L861	L359-I363 HydrophobicContact CD1-CD1 4.13Å; L359-I363 HydrophobicContact CD1-CG1 4.18Å; L359-I363 HydrophobicContact CG-CD1 3.87Å; L359-I363 HydrophobicContact CG-CG1 4.39Å; L359-I363 WeakPolarHBondContact O-CG1 3.28Å; L359-I363 PolarHBondContact O-N 3.38Å; A360-I363 PolarHBondContact O-N 3.04Å; I363-Y365 VanDerWaalsContact C-N 3.31Å; I363-Y365 PolarHBondContact O-N 3.48Å; I363-V366 WeakPolarHBondContact O-CA 3.34Å; I363-V366 PolarHBondContact O-N 3.49Å; I363-G367 PolarHBondContact O-N 3Å; I363-A417 WeakPolarHBondContact CG2-O 3.39Å; I363-P419 HydrophobicContact CD1-CG 4.12Å; I363-L861 HydrophobicContact CD1-CD2 3.66Å; I363-L861 HydrophobicContact CG1-CD2 4.3Å
364	G	82	Confident	84.1	Confident	16 Å²	16	48.7 Å²	48.7	17%	0.165	27%	0.274	C	S	.	.	H	α-helix	trans	-55.9	-41.4	178.5	0	0	0	0	0	113.1	A360 V366 G367 T368	A360-G364 PolarHBondContact O-N 3.49Å; G364-V366 PolarHBondContact O-N 2.98Å; G364-G367 PolarHBondContact O-N 3Å; G364-T368 WeakPolarHBondContact O-CB 3.35Å; G364-T368 PolarHBondContact O-N 3.18Å; G364-T368 PolarHBondContact O-OG1 3.38Å
365	Y	85.7	Confident	84.9	Confident	94 Å²	94	47.8 Å²	47.8	37%	0.369	26%	0.264	S	S	.	.	H	α-helix	trans	-63.2	-37.6	173.9	-72.9	-49.2	0	0	0	113.6	I361 I363 C369 V1130	I361-Y365 HydrophobicContact CG2-CD2 3.95Å; I361-Y365 HydrophobicContact CG2-CE2 3.43Å; I361-Y365 VanDerWaalsContact CG2-CE2 3.43Å; I361-Y365 WeakPolarHBondContact O-CD2 3.44Å; I361-Y365 PolarHBondContact O-N 3Å; I363-Y365 VanDerWaalsContact C-N 3.31Å; I363-Y365 PolarHBondContact O-N 3.48Å; Y365-C369 WeakPolarHBondContact O-CB 3.46Å; Y365-C369 PolarHBondContact O-N 3.34Å; Y365-C369 VanDerWaalsContact O-N 3.13Å; Y365-V1130 HydrophobicContact CE1-CG1 4.45Å
366	V	88.3	Confident	85.4	Confident	87 Å²	87	50.3 Å²	50.3	53%	0.527	28%	0.279	S	S	.	.	H	α-helix	trans	-68.9	-46.7	175.6	175.5	0	0	0	0	110	Q362 I363 G364 C369 V370	Q362-V366 PolarHBondContact O-N 3.49Å; I363-V366 WeakPolarHBondContact O-CA 3.34Å; I363-V366 PolarHBondContact O-N 3.49Å; G364-V366 PolarHBondContact O-N 2.98Å; V366-C369 WeakPolarHBondContact O-CB 3.43Å; V366-C369 PolarHBondContact O-N 2.77Å; V366-C369 VanDerWaalsContact O-N 3.13Å; V366-V370 HydrophobicContact CG1-CG2 4.47Å; V366-V370 WeakPolarHBondContact O-CG2 3.42Å; V366-V370 PolarHBondContact O-N 3.47Å
367	G	86.9	Confident	86	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-55.7	-51.1	175.9	0	0	0	0	0	113.1	I363 G364 C369 V370 A371 A417	I363-G367 PolarHBondContact O-N 3Å; G364-G367 PolarHBondContact O-N 3Å; G367-C369 VanDerWaalsContact C-N 3.29Å; G367-C369 PolarHBondContact O-N 3.44Å; G367-V370 PolarHBondContact O-N 2.97Å; G367-A371 VanDerWaalsContact O-CB 3.25Å; G367-A371 WeakPolarHBondContact O-CB 3.47Å; G367-A371 PolarHBondContact O-N 3.49Å; G367-A417 VanDerWaalsContact CA-CB 3.46Å
368	T	86.9	Confident	86.5	Confident	48 Å²	48	50.4 Å²	50.4	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-58.6	-40	174.8	-56.7	0	0	0	0	112.1	G364 I372 L414	G364-T368 WeakPolarHBondContact O-CB 3.35Å; G364-T368 PolarHBondContact O-N 3.18Å; G364-T368 PolarHBondContact O-OG1 3.38Å; T368-I372 HydrophobicContact CG2-CD1 3.78Å; T368-I372 HydrophobicContact CG2-CG1 4.5Å; T368-I372 WeakPolarHBondContact O-CB 3.37Å; T368-I372 VanDerWaalsContact O-CG1 3.27Å; T368-I372 WeakPolarHBondContact O-CG1 3.25Å; T368-I372 PolarHBondContact O-N 2.94Å; T368-I372 VanDerWaalsContact O-N 3.09Å; T368-L414 WeakPolarHBondContact OG1-CD1 3.24Å
369	C	91.2	Very high	86.8	Confident	88 Å²	88	46.1 Å²	46.1	60%	0.595	26%	0.26	S	S	*	.	H	α-helix	trans	-66.6	-42.5	179.5	-166.6	0	0	0	0	112.4	Y365 V366 G367 A373	Y365-C369 WeakPolarHBondContact O-CB 3.46Å; Y365-C369 PolarHBondContact O-N 3.34Å; Y365-C369 VanDerWaalsContact O-N 3.13Å; V366-C369 WeakPolarHBondContact O-CB 3.43Å; V366-C369 PolarHBondContact O-N 2.77Å; V366-C369 VanDerWaalsContact O-N 3.13Å; G367-C369 VanDerWaalsContact C-N 3.29Å; G367-C369 PolarHBondContact O-N 3.44Å; C369-A373 WeakPolarHBondContact O-CB 3.49Å; C369-A373 PolarHBondContact O-N 2.97Å; C369-A373 VanDerWaalsContact O-N 3.12Å
370	V	89.4	Confident	87.2	Confident	31 Å²	31	49.8 Å²	49.8	19%	0.188	28%	0.278	C	S	.	.	H	α-helix	trans	-73.1	-41	178.4	-179.3	0	0	0	0	111.3	V366 G367 I372 A373 T374 I868 F872	V366-V370 HydrophobicContact CG1-CG2 4.47Å; V366-V370 WeakPolarHBondContact O-CG2 3.42Å; V366-V370 PolarHBondContact O-N 3.47Å; G367-V370 PolarHBondContact O-N 2.97Å; V370-I372 PolarHBondContact O-N 3.35Å; V370-A373 PolarHBondContact O-N 3.36Å; V370-T374 WeakPolarHBondContact O-CB 3.49Å; V370-T374 PolarHBondContact O-N 3.18Å; V370-T374 PolarHBondContact O-OG1 3.41Å; V370-I868 HydrophobicContact CB-CG2 3.99Å; V370-I868 HydrophobicContact CG1-CG2 3.68Å; V370-I868 HydrophobicContact CG2-CG2 4.04Å; V370-F872 HydrophobicContact CG1-CB 3.9Å; V370-F872 HydrophobicContact CG1-CD2 3.81Å; V370-F872 HydrophobicContact CG1-CG 4.11Å
371	A	87.7	Confident	87.5	Confident	6 Å²	6	51.2 Å²	51.2	5%	0.05	28%	0.278	C	S	.	.	H	α-helix	trans	-57.1	-47.1	175.7	0	0	0	0	0	111.9	G367 T374 V375 G410 V413 L414	G367-A371 VanDerWaalsContact O-CB 3.25Å; G367-A371 WeakPolarHBondContact O-CB 3.47Å; G367-A371 PolarHBondContact O-N 3.49Å; A371-T374 PolarHBondContact O-N 2.81Å; A371-V375 WeakPolarHBondContact O-CG2 3.44Å; A371-V375 PolarHBondContact O-N 3.45Å; A371-V375 VanDerWaalsContact O-N 3.1Å; A371-G410 WeakPolarHBondContact CB-O 3.15Å; A371-V413 HydrophobicContact CB-CB 4.47Å; A371-V413 HydrophobicContact CB-CG1 4.24Å; A371-L414 HydrophobicContact CB-CB 3.99Å
372	I	90.7	Very high	87.8	Confident	93 Å²	93	49 Å²	49	48%	0.477	27%	0.267	S	S	.	.	H	α-helix	trans	-64.1	-42.3	176.1	-68.4	169.6	0	0	0	111.2	T368 V370 T374 V375 L376	T368-I372 HydrophobicContact CG2-CD1 3.78Å; T368-I372 HydrophobicContact CG2-CG1 4.5Å; T368-I372 WeakPolarHBondContact O-CB 3.37Å; T368-I372 VanDerWaalsContact O-CG1 3.27Å; T368-I372 WeakPolarHBondContact O-CG1 3.25Å; T368-I372 PolarHBondContact O-N 2.94Å; T368-I372 VanDerWaalsContact O-N 3.09Å; V370-I372 PolarHBondContact O-N 3.35Å; I372-T374 PolarHBondContact O-N 3.32Å; I372-V375 PolarHBondContact O-N 3.1Å; I372-L376 HydrophobicContact CG2-CD1 3.84Å; I372-L376 HydrophobicContact CG2-CG 4.4Å; I372-L376 WeakPolarHBondContact O-CB 3.35Å; I372-L376 VanDerWaalsContact O-CG 3.31Å; I372-L376 WeakPolarHBondContact O-CG 3.28Å; I372-L376 PolarHBondContact O-N 2.81Å
373	A	90.5	Very high	87.9	Confident	34 Å²	34	45.8 Å²	45.8	28%	0.281	26%	0.257	S	S	.	.	H	α-helix	trans	-62.1	-43	177.2	0	0	0	0	0	112.2	C369 V370 L376 I377 F872	C369-A373 WeakPolarHBondContact O-CB 3.49Å; C369-A373 PolarHBondContact O-N 2.97Å; C369-A373 VanDerWaalsContact O-N 3.12Å; V370-A373 PolarHBondContact O-N 3.36Å; A373-L376 PolarHBondContact O-N 2.81Å; A373-I377 WeakPolarHBondContact O-CB 3.33Å; A373-I377 WeakPolarHBondContact O-CD1 3.49Å; A373-I377 VanDerWaalsContact O-CG1 3.24Å; A373-I377 WeakPolarHBondContact O-CG1 3.46Å; A373-I377 PolarHBondContact O-N 3.11Å; A373-F872 HydrophobicContact CB-CE2 4.15Å
374	T	88.2	Confident	88	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-59.1	-49.2	177.6	-53.4	0	0	0	0	111.2	V370 A371 I372 L376 I377 L378 A875	V370-T374 WeakPolarHBondContact O-CB 3.49Å; V370-T374 PolarHBondContact O-N 3.18Å; V370-T374 PolarHBondContact O-OG1 3.41Å; A371-T374 PolarHBondContact O-N 2.81Å; I372-T374 PolarHBondContact O-N 3.32Å; T374-L376 PolarHBondContact O-N 3.47Å; T374-I377 PolarHBondContact O-N 3.21Å; T374-L378 HydrophobicContact CG2-CD1 4.08Å; T374-L378 WeakPolarHBondContact O-CG 3.29Å; T374-L378 PolarHBondContact O-N 3.02Å; T374-A875 HydrophobicContact CG2-CB 3.62Å
375	V	89.1	Confident	88.1	Confident	27 Å²	27	52 Å²	52	16%	0.164	29%	0.286	C	S	.	.	H	α-helix	trans	-61.6	-43.8	177.7	174.4	0	0	0	0	111.7	A371 I372 I379 I407 G410	A371-V375 WeakPolarHBondContact O-CG2 3.44Å; A371-V375 PolarHBondContact O-N 3.45Å; A371-V375 VanDerWaalsContact O-N 3.1Å; I372-V375 PolarHBondContact O-N 3.1Å; V375-I379 HydrophobicContact CG1-CD1 3.63Å; V375-I379 HydrophobicContact CG1-CG1 4.41Å; V375-I379 WeakPolarHBondContact O-CB 3.47Å; V375-I379 VanDerWaalsContact O-CG1 3.3Å; V375-I379 WeakPolarHBondContact O-CG1 3.42Å; V375-I379 PolarHBondContact O-N 3.23Å; V375-I407 HydrophobicContact CG1-CG1 4.4Å; V375-G410 VanDerWaalsContact CG2-CA 3.48Å
376	L	91.3	Very high	88	Confident	96 Å²	96	48.2 Å²	48.2	50%	0.503	27%	0.272	S	S	.	.	H	α-helix	trans	-65.3	-42.5	178.9	-72.2	171.9	0	0	0	111.9	I372 A373 T374 I380	I372-L376 HydrophobicContact CG2-CD1 3.84Å; I372-L376 HydrophobicContact CG2-CG 4.4Å; I372-L376 WeakPolarHBondContact O-CB 3.35Å; I372-L376 VanDerWaalsContact O-CG 3.31Å; I372-L376 WeakPolarHBondContact O-CG 3.28Å; I372-L376 PolarHBondContact O-N 2.81Å; A373-L376 PolarHBondContact O-N 2.81Å; T374-L376 PolarHBondContact O-N 3.47Å; L376-I380 VanDerWaalsContact O-CB 3.27Å; L376-I380 WeakPolarHBondContact O-CB 3.31Å; L376-I380 WeakPolarHBondContact O-CD1 3.19Å; L376-I380 WeakPolarHBondContact O-CG1 3.32Å; L376-I380 PolarHBondContact O-N 2.9Å
377	I	89.7	Confident	88	Confident	56 Å²	56	47.2 Å²	47.2	29%	0.287	26%	0.261	S	S	.	.	H	α-helix	trans	-61.5	-49.6	177.9	-71.5	164.9	0	0	0	110.5	A373 T374 I380 K381 F872	A373-I377 WeakPolarHBondContact O-CB 3.33Å; A373-I377 WeakPolarHBondContact O-CD1 3.49Å; A373-I377 VanDerWaalsContact O-CG1 3.24Å; A373-I377 WeakPolarHBondContact O-CG1 3.46Å; A373-I377 PolarHBondContact O-N 3.11Å; T374-I377 PolarHBondContact O-N 3.21Å; I377-I380 PolarHBondContact O-N 3.15Å; I377-K381 VanDerWaalsContact O-CB 3.26Å; I377-K381 WeakPolarHBondContact O-CB 3.3Å; I377-K381 PolarHBondContact O-N 3.47Å; I377-F872 HydrophobicContact CD1-CE2 3.61Å; I377-F872 HydrophobicContact CD1-CZ 3.89Å
378	L	87.4	Confident	87.8	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-59.8	-49.7	178.4	-71.3	166.1	0	0	0	112	T374 I380 K381 F382 Y406 T409 A875	T374-L378 HydrophobicContact CG2-CD1 4.08Å; T374-L378 WeakPolarHBondContact O-CG 3.29Å; T374-L378 PolarHBondContact O-N 3.02Å; L378-I380 VanDerWaalsContact C-N 3.34Å; L378-I380 PolarHBondContact O-N 2.93Å; L378-K381 PolarHBondContact O-N 2.93Å; L378-F382 WeakPolarHBondContact O-CB 3.28Å; L378-F382 PolarHBondContact O-N 3.17Å; L378-Y406 HydrophobicContact CB-CD1 3.78Å; L378-Y406 HydrophobicContact CB-CD2 4.09Å; L378-Y406 HydrophobicContact CB-CE1 4.15Å; L378-Y406 HydrophobicContact CB-CE2 4.46Å; L378-Y406 HydrophobicContact CB-CG 3.74Å; L378-Y406 HydrophobicContact CD1-CD1 3.8Å; L378-Y406 HydrophobicContact CD1-CG 4.25Å; L378-Y406 HydrophobicContact CD2-CD1 4.14Å; L378-Y406 HydrophobicContact CD2-CE1 4.02Å; L378-Y406 HydrophobicContact CG-CD1 4.12Å; L378-Y406 HydrophobicContact CG-CE1 4.45Å; L378-T409 HydrophobicContact CD1-CG2 4.43Å; L378-A875 HydrophobicContact CD1-CB 3.93Å; L378-A875 HydrophobicContact CD2-CB 3.82Å; L378-A875 HydrophobicContact CG-CB 3.87Å
379	I	89	Confident	87.6	Confident	45 Å²	45	54 Å²	54	23%	0.231	30%	0.3	C	S	.	.	H	α-helix	trans	-63.7	-38.6	-179.9	-69.2	174.1	0	0	0	111.5	V375 S383 I403 Y406	V375-I379 HydrophobicContact CG1-CD1 3.63Å; V375-I379 HydrophobicContact CG1-CG1 4.41Å; V375-I379 WeakPolarHBondContact O-CB 3.47Å; V375-I379 VanDerWaalsContact O-CG1 3.3Å; V375-I379 WeakPolarHBondContact O-CG1 3.42Å; V375-I379 PolarHBondContact O-N 3.23Å; I379-S383 WeakPolarHBondContact O-CB 3.39Å; I379-S383 PolarHBondContact O-N 3.04Å; I379-S383 PolarHBondContact O-OG 2.84Å; I379-I403 HydrophobicContact CD1-CG2 4.23Å; I379-Y406 HydrophobicContact CG1-CD2 4.14Å
380	I	89.7	Confident	87.1	Confident	104 Å²	104	54.1 Å²	54.1	53%	0.533	30%	0.295	S	S	.	.	H	α-helix	trans	-69.8	-48.7	177.8	-69.9	166.5	0	0	0	110.8	L376 I377 L378 F382 S383 V384	L376-I380 VanDerWaalsContact O-CB 3.27Å; L376-I380 WeakPolarHBondContact O-CB 3.31Å; L376-I380 WeakPolarHBondContact O-CD1 3.19Å; L376-I380 WeakPolarHBondContact O-CG1 3.32Å; L376-I380 PolarHBondContact O-N 2.9Å; I377-I380 PolarHBondContact O-N 3.15Å; L378-I380 VanDerWaalsContact C-N 3.34Å; L378-I380 PolarHBondContact O-N 2.93Å; I380-F382 PolarHBondContact O-N 3.38Å; I380-S383 PolarHBondContact O-N 3.45Å; I380-V384 HydrophobicContact CG2-CG2 4.47Å; I380-V384 WeakPolarHBondContact O-CG2 3.39Å; I380-V384 PolarHBondContact O-N 3.46Å
381	K	85.9	Confident	86.7	Confident	61 Å²	61	60.3 Å²	60.3	27%	0.265	32%	0.319	S	S	.	.	H	α-helix	trans	-58.8	-48.6	179.6	-169.3	179.9	174.6	-158.9	0	110.7	I377 L378 S383 V384 H385 C876 F877 L878 D879	I377-K381 VanDerWaalsContact O-CB 3.26Å; I377-K381 WeakPolarHBondContact O-CB 3.3Å; I377-K381 PolarHBondContact O-N 3.47Å; L378-K381 PolarHBondContact O-N 2.93Å; K381-S383 PolarHBondContact O-N 3.19Å; K381-V384 PolarHBondContact O-N 3.25Å; K381-H385 WeakPolarHBondContact O-CB 3.24Å; K381-H385 PolarHBondContact O-N 3.19Å; K381-C876 PolarHBondContact NZ-O 2.93Å; K381-F877 PolarHBondContact NZ-O 3.1Å; K381-F877 VanDerWaalsContact NZ-O 3.17Å; K381-L878 PolarHBondContact NZ-O 3.25Å; K381-D879 WeakPolarHBondContact CD-OD1 3.45Å; K381-D879 VanDerWaalsContact CE-CG 3.49Å; K381-D879 WeakPolarHBondContact CE-OD1 3.4Å; K381-D879 WeakPolarHBondContact CE-OD2 3.07Å; K381-D879 IonicContact NZ-OD1 3.21Å; K381-D879 PolarHBondContact NZ-OD1 3.49Å; K381-D879 IonicContact NZ-OD2 2.73Å; K381-D879 PolarHBondContact NZ-OD2 3.01Å
382	F	84.5	Confident	86.3	Confident	10 Å²	10	63.2 Å²	63.2	4%	0.044	33%	0.332	C	S	.	.	H	α-helix	trans	-57.3	-48.4	172.9	176	-106.8	0	0	0	112.5	L378 I380 V384 H385 T386 F387 H399 Q402 I403 Y406	L378-F382 WeakPolarHBondContact O-CB 3.28Å; L378-F382 PolarHBondContact O-N 3.17Å; I380-F382 PolarHBondContact O-N 3.38Å; F382-V384 VanDerWaalsContact C-N 3.35Å; F382-V384 PolarHBondContact O-N 3.19Å; F382-H385 PolarHBondContact O-N 3.23Å; F382-T386 WeakPolarHBondContact CE2-OG1 3.45Å; F382-T386 VanDerWaalsContact O-CB 3.28Å; F382-T386 WeakPolarHBondContact O-CB 3.5Å; F382-T386 PolarHBondContact O-N 2.8Å; F382-T386 PolarHBondContact O-OG1 3.41Å; F382-F387 HydrophobicContact CE1-CE2 4.32Å; F382-F387 HydrophobicContact CE1-CZ 4.48Å; F382-H399 HydrophobicContact CE1-CB 4.12Å; F382-H399 AromaticContact CE1-CE1 3.47Å; F382-H399 VanDerWaalsContact CE1-CE1 3.47Å; F382-H399 WeakPolarHBondContact CE1-CE1 3.29Å; F382-H399 AromaticContact CE2-CE1 3.49Å; F382-H399 VanDerWaalsContact CE2-CE1 3.49Å; F382-H399 WeakPolarHBondContact CE2-CE1 3.47Å; F382-H399 HydrophobicContact CZ-CB 3.98Å; F382-H399 AromaticContact CZ-CE1 2.67Å; F382-H399 WeakPolarHBondContact CZ-CE1 3.38Å; F382-H399 AromaticContact CZ-ND1 3.57Å; F382-Q402 HydrophobicContact CE2-CB 4.17Å; F382-Q402 HydrophobicContact CE2-CG 4.45Å; F382-Q402 VanDerWaalsContact CE2-OE1 3.31Å; F382-Q402 HydrophobicContact CZ-CB 4.02Å; F382-Q402 VanDerWaalsContact CZ-OE1 3.25Å; F382-I403 HydrophobicContact CE1-CG1 4.43Å; F382-Y406 HydrophobicContact CB-CE2 3.71Å; F382-Y406 HydrophobicContact CD1-CE2 4.24Å; F382-Y406 HydrophobicContact CD2-CE2 4.17Å; F382-Y406 AromaticContact CG-CE2 3.8Å; F382-Y406 HydrophobicContact CG-CE2 3.8Å
383	S	86.9	Confident	85.8	Confident	42 Å²	42	63.6 Å²	63.6	29%	0.294	34%	0.341	S	S	.	.	H	α-helix	trans	-65.8	-36.6	-176.8	-62.6	0	0	0	0	112.5	I379 I380 K381 F387	I379-S383 WeakPolarHBondContact O-CB 3.39Å; I379-S383 PolarHBondContact O-N 3.04Å; I379-S383 PolarHBondContact O-OG 2.84Å; I380-S383 PolarHBondContact O-N 3.45Å; K381-S383 PolarHBondContact O-N 3.19Å; S383-F387 WeakPolarHBondContact O-CB 3.31Å; S383-F387 PolarHBondContact O-N 2.97Å; S383-F387 VanDerWaalsContact O-N 3.12Å
384	V	87	Confident	85.3	Confident	74 Å²	74	68.3 Å²	68.3	45%	0.448	35%	0.351	S	S	.	.	I	π-helix	trans	-68.4	-48.9	173.6	172.1	0	0	0	0	110.8	I380 K381 F382 A388 Q389	I380-V384 HydrophobicContact CG2-CG2 4.47Å; I380-V384 WeakPolarHBondContact O-CG2 3.39Å; I380-V384 PolarHBondContact O-N 3.46Å; K381-V384 PolarHBondContact O-N 3.25Å; F382-V384 VanDerWaalsContact C-N 3.35Å; F382-V384 PolarHBondContact O-N 3.19Å; V384-A388 WeakPolarHBondContact O-CA 3.28Å; V384-A388 VanDerWaalsContact O-CB 3.28Å; V384-A388 WeakPolarHBondContact O-CB 3.42Å; V384-A388 PolarHBondContact O-N 3.35Å; V384-A388 VanDerWaalsContact O-N 3.08Å; V384-Q389 PolarHBondContact O-N 3.05Å
385	H	84.6	Confident	84.9	Confident	95 Å²	95	73.1 Å²	73.1	44%	0.44	37%	0.373	S	S	.	.	I	π-helix	trans	-66.1	-48	-177.4	-163.3	-79.4	0	0	0	112.2	K381 F382 Q389 N390	K381-H385 WeakPolarHBondContact O-CB 3.24Å; K381-H385 PolarHBondContact O-N 3.19Å; F382-H385 PolarHBondContact O-N 3.23Å; H385-Q389 PolarHBondContact CD2-OE1 2.82Å; H385-Q389 VanDerWaalsContact CD2-OE1 3.31Å; H385-Q389 WeakPolarHBondContact O-CB 3.38Å; H385-N390 WeakPolarHBondContact O-CB 3.49Å; H385-N390 PolarHBondContact O-N 3.02Å
386	T	84	Confident	84.1	Confident	13 Å²	13	76 Å²	76	8%	0.08	39%	0.392	C	S	.	.	I	π-helix	trans	-76.8	-45.6	-175	-59.9	0	0	0	0	113	F382 K391 E392 H399	F382-T386 WeakPolarHBondContact CE2-OG1 3.45Å; F382-T386 VanDerWaalsContact O-CB 3.28Å; F382-T386 WeakPolarHBondContact O-CB 3.5Å; F382-T386 PolarHBondContact O-N 2.8Å; F382-T386 PolarHBondContact O-OG1 3.41Å; T386-K391 PolarHBondContact O-N 2.85Å; T386-E392 HydrophobicContact CG2-CB 3.94Å; T386-E392 HydrophobicContact CG2-CG 4.27Å; T386-E392 PolarHBondContact O-N 3.45Å; T386-H399 WeakPolarHBondContact CG2-CE1 3.47Å; T386-H399 WeakPolarHBondContact CG2-NE2 3.45Å
387	F	86.6	Confident	83.2	Confident	66 Å²	66	72.5 Å²	72.5	29%	0.289	38%	0.378	S	S	.	.	I	π-helix	trans	-97.8	-30.9	-173	-53.5	-58.8	0	0	0	114.2	F382 S383 E392 W394 H399	F382-F387 HydrophobicContact CE1-CE2 4.32Å; F382-F387 HydrophobicContact CE1-CZ 4.48Å; S383-F387 WeakPolarHBondContact O-CB 3.31Å; S383-F387 PolarHBondContact O-N 2.97Å; S383-F387 VanDerWaalsContact O-N 3.12Å; F387-E392 WeakPolarHBondContact CD1-O 3.44Å; F387-W394 HydrophobicContact CE1-CE3 4.11Å; F387-W394 HydrophobicContact CE2-CE3 4.32Å; F387-W394 HydrophobicContact CE2-CZ3 4.34Å; F387-W394 AromaticContact CZ-CE3 3.57Å; F387-W394 HydrophobicContact CZ-CE3 3.57Å; F387-W394 AromaticContact CZ-CZ3 3.88Å; F387-W394 HydrophobicContact CZ-CZ3 3.88Å; F387-H399 HydrophobicContact CZ-CB 4.37Å; F387-H399 AromaticContact CZ-CE1 3.97Å; F387-H399 AromaticContact CZ-CG 3.98Å; F387-H399 AromaticContact CZ-ND1 3.86Å
388	A	83.6	Confident	82.5	Confident	65 Å²	65	73.1 Å²	73.1	54%	0.537	38%	0.379	S	S	.	.	I	π-helix	trans	-94.2	-41.5	-179.4	0	0	0	0	0	113.4	V384	V384-A388 WeakPolarHBondContact O-CA 3.28Å; V384-A388 VanDerWaalsContact O-CB 3.28Å; V384-A388 WeakPolarHBondContact O-CB 3.42Å; V384-A388 PolarHBondContact O-N 3.35Å; V384-A388 VanDerWaalsContact O-N 3.08Å
389	Q	83	Confident	82.3	Confident	125 Å²	125	73 Å²	73	58%	0.584	38%	0.378	S	S	*	.	I	π-helix	trans	-85.5	-61.9	178.4	-63.7	177.5	-50.4	0	0	111.6	V384 H385	V384-Q389 PolarHBondContact O-N 3.05Å; H385-Q389 PolarHBondContact CD2-OE1 2.82Å; H385-Q389 VanDerWaalsContact CD2-OE1 3.31Å; H385-Q389 WeakPolarHBondContact O-CB 3.38Å
390	N	81.5	Confident	81.8	Confident	91 Å²	91	73.9 Å²	73.9	49%	0.487	38%	0.383	S	S	.	.	S	Bend	trans	-76.5	-22.1	-176.5	-68.5	4.1	0	0	0	113.9	H385 E392	H385-N390 WeakPolarHBondContact O-CB 3.49Å; H385-N390 PolarHBondContact O-N 3.02Å; N390-E392 VanDerWaalsContact C-N 3.29Å; N390-E392 HydrophobicContact CB-CG 4.42Å; N390-E392 PolarHBondContact O-N 3.3Å
391	K	80.9	Confident	81.2	Confident	162 Å²	162	70.3 Å²	70.3	70%	0.704	36%	0.364	S	S	*	.			trans	56.2	35.6	-179.1	-55.9	176.9	-176.7	174.5	0	114	T386	T386-K391 PolarHBondContact O-N 2.85Å
392	E	79	Confident	80.8	Confident	67 Å²	67	69.6 Å²	69.6	31%	0.313	36%	0.361	S	S	.	.			trans	-63.5	137.7	174.2	-70	-165.2	159.6	0	0	110.9	T386 F387 N390 K398 H399	T386-E392 HydrophobicContact CG2-CB 3.94Å; T386-E392 HydrophobicContact CG2-CG 4.27Å; T386-E392 PolarHBondContact O-N 3.45Å; F387-E392 WeakPolarHBondContact CD1-O 3.44Å; N390-E392 VanDerWaalsContact C-N 3.29Å; N390-E392 HydrophobicContact CB-CG 4.42Å; N390-E392 PolarHBondContact O-N 3.3Å; E392-K398 IonicContact OE1-NZ 2.83Å; E392-K398 PolarHBondContact OE1-NZ 3.34Å; E392-K398 IonicContact OE2-NZ 2.8Å; E392-K398 PolarHBondContact OE2-NZ 2.98Å; E392-H399 WeakPolarHBondContact CB-NE2 3.4Å; E392-H399 IonicContact OE2-NE2 3.25Å; E392-H399 PolarHBondContact OE2-NE2 3.18Å
393	P	79.4	Confident	80.7	Confident	101 Å²	101	70.8 Å²	70.8	66%	0.656	37%	0.368	S	S	*	.			trans	-72.1	144.4	172	30.8	-34.5	0	0	0	110.9	Q395	P393-Q395 PolarHBondContact O-N 3.43Å; P393-Q395 VanDerWaalsContact O-N 3.09Å
394	W	80.7	Confident	80.4	Confident	133 Å²	133	69.6 Å²	69.6	50%	0.504	36%	0.358	S	S	.	.			trans	-62.7	111.6	-177.1	175.8	-86.3	0	0	0	113	F387 T396 H399 I403	F387-W394 HydrophobicContact CE1-CE3 4.11Å; F387-W394 HydrophobicContact CE2-CE3 4.32Å; F387-W394 HydrophobicContact CE2-CZ3 4.34Å; F387-W394 AromaticContact CZ-CE3 3.57Å; F387-W394 HydrophobicContact CZ-CE3 3.57Å; F387-W394 AromaticContact CZ-CZ3 3.88Å; F387-W394 HydrophobicContact CZ-CZ3 3.88Å; W394-T396 PolarHBondContact NE1-OG1 2.94Å; W394-H399 HydrophobicContact CE3-CB 4.2Å; W394-H399 HydrophobicContact CH2-CB 4.07Å; W394-H399 HydrophobicContact CZ3-CB 3.84Å; W394-I403 HydrophobicContact CH2-CD1 3.97Å; W394-I403 HydrophobicContact CZ3-CD1 4.26Å
395	Q	79	Confident	80	Confident	100 Å²	100	67.3 Å²	67.3	47%	0.467	34%	0.344	S	S	.	.			trans	-102.2	106	168.7	-63	-179.3	-5.3	0	0	111.8	P393 G397 K398 H399	P393-Q395 PolarHBondContact O-N 3.43Å; P393-Q395 VanDerWaalsContact O-N 3.09Å; Q395-G397 PolarHBondContact O-N 3.33Å; Q395-K398 HydrophobicContact CB-CB 4.32Å; Q395-K398 PolarHBondContact O-N 2.9Å; Q395-H399 PolarHBondContact N-CD2 3.34Å; Q395-H399 PolarHBondContact O-CD2 2.88Å; Q395-H399 PolarHBondContact O-N 3.39Å
396	T	73.2	Confident	80	Confident	89 Å²	89	63.9 Å²	63.9	55%	0.546	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-23.2	-173.1	-51.9	0	0	0	0	115.1	W394 L400	W394-T396 PolarHBondContact NE1-OG1 2.94Å; T396-L400 HydrophobicContact CG2-CD2 4.43Å; T396-L400 WeakPolarHBondContact O-CB 3.41Å
397	G	72	Confident	80	Confident	21 Å²	21	66.8 Å²	66.8	22%	0.216	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-62.8	172	0	0	0	0	0	112.9	Q395 K401	Q395-G397 PolarHBondContact O-N 3.33Å; G397-K401 PolarHBondContact O-N 3.24Å
398	K	75.3	Confident	79.7	Confident	70 Å²	70	63.8 Å²	63.8	30%	0.304	33%	0.328	S	S	.	.	H	α-helix	trans	-57.6	-61.1	-173.7	-175.9	-171.8	177.5	-166.6	0	112.4	E392 Q395 L400 K401 Q402	E392-K398 IonicContact OE1-NZ 2.83Å; E392-K398 PolarHBondContact OE1-NZ 3.34Å; E392-K398 IonicContact OE2-NZ 2.8Å; E392-K398 PolarHBondContact OE2-NZ 2.98Å; Q395-K398 HydrophobicContact CB-CB 4.32Å; Q395-K398 PolarHBondContact O-N 2.9Å; K398-L400 PolarHBondContact O-N 3.29Å; K398-K401 PolarHBondContact O-N 2.91Å; K398-Q402 PolarHBondContact O-N 2.9Å
399	H	82	Confident	79.6	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-72.2	-29.4	-171.8	-47.2	-81.2	0	0	0	112.8	F382 T386 F387 E392 W394 Q395 Q402 I403	F382-H399 HydrophobicContact CE1-CB 4.12Å; F382-H399 AromaticContact CE1-CE1 3.47Å; F382-H399 VanDerWaalsContact CE1-CE1 3.47Å; F382-H399 WeakPolarHBondContact CE1-CE1 3.29Å; F382-H399 AromaticContact CE2-CE1 3.49Å; F382-H399 VanDerWaalsContact CE2-CE1 3.49Å; F382-H399 WeakPolarHBondContact CE2-CE1 3.47Å; F382-H399 HydrophobicContact CZ-CB 3.98Å; F382-H399 AromaticContact CZ-CE1 2.67Å; F382-H399 WeakPolarHBondContact CZ-CE1 3.38Å; F382-H399 AromaticContact CZ-ND1 3.57Å; T386-H399 WeakPolarHBondContact CG2-CE1 3.47Å; T386-H399 WeakPolarHBondContact CG2-NE2 3.45Å; F387-H399 HydrophobicContact CZ-CB 4.37Å; F387-H399 AromaticContact CZ-CE1 3.97Å; F387-H399 AromaticContact CZ-CG 3.98Å; F387-H399 AromaticContact CZ-ND1 3.86Å; E392-H399 WeakPolarHBondContact CB-NE2 3.4Å; E392-H399 IonicContact OE2-NE2 3.25Å; E392-H399 PolarHBondContact OE2-NE2 3.18Å; W394-H399 HydrophobicContact CE3-CB 4.2Å; W394-H399 HydrophobicContact CH2-CB 4.07Å; W394-H399 HydrophobicContact CZ3-CB 3.84Å; Q395-H399 PolarHBondContact N-CD2 3.34Å; Q395-H399 PolarHBondContact O-CD2 2.88Å; Q395-H399 PolarHBondContact O-N 3.39Å; H399-Q402 PolarHBondContact CE1-OE1 3.48Å; H399-Q402 PolarHBondContact O-N 2.79Å; H399-I403 WeakPolarHBondContact O-CG1 3.41Å; H399-I403 PolarHBondContact O-N 3.32Å
400	L	79.8	Confident	79.7	Confident	62 Å²	62	55.9 Å²	55.9	33%	0.325	28%	0.283	S	S	.	.	H	α-helix	trans	-70	-38.6	176.1	-172.3	59	0	0	0	111.6	L117 T396 K398 Q402 I403 V404	L117-L400 HydrophobicContact CD1-CG 4.31Å; L117-L400 HydrophobicContact CD2-CD2 4.06Å; L117-L400 HydrophobicContact CD2-CG 4.4Å; T396-L400 HydrophobicContact CG2-CD2 4.43Å; T396-L400 WeakPolarHBondContact O-CB 3.41Å; K398-L400 PolarHBondContact O-N 3.29Å; L400-Q402 VanDerWaalsContact C-N 3.31Å; L400-Q402 PolarHBondContact O-N 3.36Å; L400-I403 PolarHBondContact O-N 3.2Å; L400-V404 WeakPolarHBondContact O-CB 3.24Å; L400-V404 WeakPolarHBondContact O-CG2 3.47Å; L400-V404 PolarHBondContact O-N 2.83Å
401	K	75.4	Confident	79.8	Confident	30 Å²	30	52.5 Å²	52.5	13%	0.13	27%	0.265	C	S	.	.	H	α-helix	trans	-57.6	-45.6	171.2	-171.4	-164.8	178.1	-159.3	0	110.7	I121 G397 K398 V404 N405 H966	I121-K401 HydrophobicContact CD1-CB 4.31Å; I121-K401 HydrophobicContact CD1-CD 4.11Å; G397-K401 PolarHBondContact O-N 3.24Å; K398-K401 PolarHBondContact O-N 2.91Å; K401-V404 PolarHBondContact O-N 2.85Å; K401-N405 PolarHBondContact O-N 3.01Å; K401-N405 PolarHBondContact O-OD1 3.47Å; K401-H966 PolarHBondContact NZ-NE2 2.81Å
402	Q	78.4	Confident	79.8	Confident	46 Å²	46	45 Å²	45	22%	0.215	23%	0.233	C	C	.	.	H	α-helix	trans	-63.1	-45.6	179	-68.2	172.1	-64	0	0	112	F382 K398 H399 L400 V404 N405 Y406	F382-Q402 HydrophobicContact CE2-CB 4.17Å; F382-Q402 HydrophobicContact CE2-CG 4.45Å; F382-Q402 VanDerWaalsContact CE2-OE1 3.31Å; F382-Q402 HydrophobicContact CZ-CB 4.02Å; F382-Q402 VanDerWaalsContact CZ-OE1 3.25Å; K398-Q402 PolarHBondContact O-N 2.9Å; H399-Q402 PolarHBondContact CE1-OE1 3.48Å; H399-Q402 PolarHBondContact O-N 2.79Å; L400-Q402 VanDerWaalsContact C-N 3.31Å; L400-Q402 PolarHBondContact O-N 3.36Å; Q402-V404 VanDerWaalsContact C-N 3.33Å; Q402-V404 PolarHBondContact O-N 3.48Å; Q402-N405 PolarHBondContact O-N 3.45Å; Q402-Y406 VanDerWaalsContact O-CD2 3.31Å; Q402-Y406 WeakPolarHBondContact O-CD2 3.16Å; Q402-Y406 PolarHBondContact O-N 2.97Å
403	I	83.2	Confident	80	Confident	35 Å²	35	42 Å²	42	18%	0.179	22%	0.219	C	C	.	.	H	α-helix	trans	-61.6	-39.7	175	-68	165	0	0	0	111.7	I379 F382 W394 H399 L400 Y406 I407	I379-I403 HydrophobicContact CD1-CG2 4.23Å; F382-I403 HydrophobicContact CE1-CG1 4.43Å; W394-I403 HydrophobicContact CH2-CD1 3.97Å; W394-I403 HydrophobicContact CZ3-CD1 4.26Å; H399-I403 WeakPolarHBondContact O-CG1 3.41Å; H399-I403 PolarHBondContact O-N 3.32Å; L400-I403 PolarHBondContact O-N 3.2Å; I403-Y406 PolarHBondContact O-N 3.09Å; I403-I407 HydrophobicContact CG2-CD1 4.13Å; I403-I407 WeakPolarHBondContact O-CG1 3.27Å; I403-I407 PolarHBondContact O-N 3.1Å
404	V	80.5	Confident	80.3	Confident	16 Å²	16	39.4 Å²	39.4	10%	0.097	20%	0.2	C	C	.	.	H	α-helix	trans	-65.1	-40.5	175	166.3	0	0	0	0	111.7	I113 L117 L400 K401 Q402 Y406 I407 I408	I113-V404 HydrophobicContact CG2-CG1 4.1Å; I113-V404 HydrophobicContact CG2-CG2 3.94Å; L117-V404 HydrophobicContact CD1-CB 4.14Å; L117-V404 HydrophobicContact CD1-CG1 4.39Å; L117-V404 HydrophobicContact CD1-CG2 3.75Å; L400-V404 WeakPolarHBondContact O-CB 3.24Å; L400-V404 WeakPolarHBondContact O-CG2 3.47Å; L400-V404 PolarHBondContact O-N 2.83Å; K401-V404 PolarHBondContact O-N 2.85Å; Q402-V404 VanDerWaalsContact C-N 3.33Å; Q402-V404 PolarHBondContact O-N 3.48Å; V404-Y406 VanDerWaalsContact C-N 3.35Å; V404-Y406 PolarHBondContact O-N 2.96Å; V404-I407 PolarHBondContact O-N 3.22Å; V404-I408 HydrophobicContact CG1-CD1 3.93Å; V404-I408 HydrophobicContact CG1-CG1 4.49Å; V404-I408 WeakPolarHBondContact O-CG1 3.39Å; V404-I408 PolarHBondContact O-N 3.21Å
405	N	77.7	Confident	80.2	Confident	27 Å²	27	33.3 Å²	33.3	14%	0.144	18%	0.177	C	C	.	.	H	α-helix	trans	-65.4	-35.8	175.4	-81.9	30.7	0	0	0	112.2	E140 K401 Q402 I408 T409	E140-N405 PolarHBondContact OE2-ND2 3.37Å; K401-N405 PolarHBondContact O-N 3.01Å; K401-N405 PolarHBondContact O-OD1 3.47Å; Q402-N405 PolarHBondContact O-N 3.45Å; N405-I408 PolarHBondContact O-N 3.46Å; N405-T409 PolarHBondContact O-N 2.86Å; N405-T409 PolarHBondContact O-OG1 3.33Å
406	Y	84.8	Confident	80.4	Confident	22 Å²	22	28.6 Å²	28.6	9%	0.086	16%	0.155	C	C	.	.	H	α-helix	trans	-64.8	-39.1	170.8	-59.2	-35.8	0	0	0	112.4	L378 I379 F382 Q402 I403 V404 T409 G410	L378-Y406 HydrophobicContact CB-CD1 3.78Å; L378-Y406 HydrophobicContact CB-CD2 4.09Å; L378-Y406 HydrophobicContact CB-CE1 4.15Å; L378-Y406 HydrophobicContact CB-CE2 4.46Å; L378-Y406 HydrophobicContact CB-CG 3.74Å; L378-Y406 HydrophobicContact CD1-CD1 3.8Å; L378-Y406 HydrophobicContact CD1-CG 4.25Å; L378-Y406 HydrophobicContact CD2-CD1 4.14Å; L378-Y406 HydrophobicContact CD2-CE1 4.02Å; L378-Y406 HydrophobicContact CG-CD1 4.12Å; L378-Y406 HydrophobicContact CG-CE1 4.45Å; I379-Y406 HydrophobicContact CG1-CD2 4.14Å; F382-Y406 HydrophobicContact CB-CE2 3.71Å; F382-Y406 HydrophobicContact CD1-CE2 4.24Å; F382-Y406 HydrophobicContact CD2-CE2 4.17Å; F382-Y406 AromaticContact CG-CE2 3.8Å; F382-Y406 HydrophobicContact CG-CE2 3.8Å; Q402-Y406 VanDerWaalsContact O-CD2 3.31Å; Q402-Y406 WeakPolarHBondContact O-CD2 3.16Å; Q402-Y406 PolarHBondContact O-N 2.97Å; I403-Y406 PolarHBondContact O-N 3.09Å; V404-Y406 VanDerWaalsContact C-N 3.35Å; V404-Y406 PolarHBondContact O-N 2.96Å; Y406-T409 PolarHBondContact O-N 3.02Å; Y406-G410 PolarHBondContact O-N 3.23Å
407	I	83.5	Confident	80.9	Confident	74 Å²	74	24.3 Å²	24.3	38%	0.379	13%	0.129	S	C	.	.	H	α-helix	trans	-64.2	-43.1	173.4	-68.3	165.7	0	0	0	111.1	V375 I403 V404 T409 G410 V411	V375-I407 HydrophobicContact CG1-CG1 4.4Å; I403-I407 HydrophobicContact CG2-CD1 4.13Å; I403-I407 WeakPolarHBondContact O-CG1 3.27Å; I403-I407 PolarHBondContact O-N 3.1Å; V404-I407 PolarHBondContact O-N 3.22Å; I407-T409 VanDerWaalsContact C-N 3.31Å; I407-T409 PolarHBondContact O-N 3.28Å; I407-G410 PolarHBondContact O-N 3.41Å; I407-V411 HydrophobicContact CG2-CG2 4.41Å; I407-V411 WeakPolarHBondContact O-CG2 3.4Å; I407-V411 PolarHBondContact O-N 2.99Å
408	I	81.2	Confident	81.2	Confident	4 Å²	4	25.1 Å²	25.1	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-59.2	-43	174.9	-72.8	166.2	0	0	0	110.8	A110 I144 V404 N405 G410 V411 T412 A885	A110-I408 HydrophobicContact CB-CD1 4.47Å; A110-I408 HydrophobicContact CB-CG1 3.76Å; I144-I408 HydrophobicContact CD1-CG2 4.03Å; V404-I408 HydrophobicContact CG1-CD1 3.93Å; V404-I408 HydrophobicContact CG1-CG1 4.49Å; V404-I408 WeakPolarHBondContact O-CG1 3.39Å; V404-I408 PolarHBondContact O-N 3.21Å; N405-I408 PolarHBondContact O-N 3.46Å; I408-G410 PolarHBondContact O-N 3.41Å; I408-V411 PolarHBondContact O-N 3.34Å; I408-T412 WeakPolarHBondContact O-CB 3.44Å; I408-T412 PolarHBondContact O-N 3.33Å; I408-T412 PolarHBondContact O-OG1 2.9Å; I408-A885 HydrophobicContact CG2-CB 3.97Å
409	T	80.5	Confident	81.2	Confident	19 Å²	19	22.2 Å²	22.2	12%	0.117	12%	0.118	C	C	.	.	H	α-helix	trans	-60.7	-45	175.3	-58.1	0	0	0	0	111	L378 N405 Y406 I407 T412 V413	L378-T409 HydrophobicContact CD1-CG2 4.43Å; N405-T409 PolarHBondContact O-N 2.86Å; N405-T409 PolarHBondContact O-OG1 3.33Å; Y406-T409 PolarHBondContact O-N 3.02Å; I407-T409 VanDerWaalsContact C-N 3.31Å; I407-T409 PolarHBondContact O-N 3.28Å; T409-T412 WeakPolarHBondContact O-CB 3.3Å; T409-T412 PolarHBondContact O-N 2.94Å; T409-V413 WeakPolarHBondContact O-CG2 3.46Å; T409-V413 PolarHBondContact O-N 2.9Å
410	G	85	Confident	80.7	Confident	4 Å²	4	24.8 Å²	24.8	4%	0.041	13%	0.13	C	C	.	.	H	α-helix	trans	-60.6	-45.6	174.3	0	0	0	0	0	114.3	A371 V375 Y406 I407 I408 T412 V413 L414	A371-G410 WeakPolarHBondContact CB-O 3.15Å; V375-G410 VanDerWaalsContact CG2-CA 3.48Å; Y406-G410 PolarHBondContact O-N 3.23Å; I407-G410 PolarHBondContact O-N 3.41Å; I408-G410 PolarHBondContact O-N 3.41Å; G410-T412 VanDerWaalsContact C-N 3.32Å; G410-T412 PolarHBondContact O-N 3.45Å; G410-V413 PolarHBondContact O-N 2.98Å; G410-L414 PolarHBondContact O-N 3.47Å
411	V	83.4	Confident	80.4	Confident	20 Å²	20	22 Å²	22	12%	0.121	12%	0.116	C	C	.	.	H	α-helix	trans	-63.3	-40.2	176.2	173.7	0	0	0	0	110.6	V106 L107 I407 I408 L414 V415	V106-V411 HydrophobicContact CG1-CG1 4.04Å; V106-V411 HydrophobicContact CG1-CG2 3.67Å; L107-V411 HydrophobicContact CB-CG1 4.11Å; L107-V411 HydrophobicContact CD1-CG1 4.15Å; I407-V411 HydrophobicContact CG2-CG2 4.41Å; I407-V411 WeakPolarHBondContact O-CG2 3.4Å; I407-V411 PolarHBondContact O-N 2.99Å; I408-V411 PolarHBondContact O-N 3.34Å; V411-L414 WeakPolarHBondContact O-CB 3.33Å; V411-L414 PolarHBondContact O-N 2.85Å; V411-V415 WeakPolarHBondContact O-CG2 3.32Å; V411-V415 PolarHBondContact O-N 2.94Å
412	T	80.7	Confident	80.4	Confident	5 Å²	5	21 Å²	21	3%	0.031	11%	0.112	C	C	.	.	H	α-helix	trans	-61.3	-45.6	175.4	-57.9	0	0	0	0	111.5	I408 T409 G410 L414 V415 V416 A885 M888	I408-T412 WeakPolarHBondContact O-CB 3.44Å; I408-T412 PolarHBondContact O-N 3.33Å; I408-T412 PolarHBondContact O-OG1 2.9Å; T409-T412 WeakPolarHBondContact O-CB 3.3Å; T409-T412 PolarHBondContact O-N 2.94Å; G410-T412 VanDerWaalsContact C-N 3.32Å; G410-T412 PolarHBondContact O-N 3.45Å; T412-L414 VanDerWaalsContact C-N 3.29Å; T412-L414 PolarHBondContact O-N 2.91Å; T412-V415 PolarHBondContact O-N 2.7Å; T412-V416 PolarHBondContact O-N 3.48Å; T412-A885 HydrophobicContact CG2-CB 4.43Å; T412-M888 HydrophobicContact CG2-CB 3.3Å; T412-M888 HydrophobicContact CG2-CG 3.84Å
413	V	83.9	Confident	80.1	Confident	3 Å²	3	22.6 Å²	22.6	2%	0.018	13%	0.127	C	C	.	.	H	α-helix	trans	-61.5	-37.2	175	170.1	0	0	0	0	111.5	A371 T409 G410 A417 A871	A371-V413 HydrophobicContact CB-CB 4.47Å; A371-V413 HydrophobicContact CB-CG1 4.24Å; T409-V413 WeakPolarHBondContact O-CG2 3.46Å; T409-V413 PolarHBondContact O-N 2.9Å; G410-V413 PolarHBondContact O-N 2.98Å; V413-A417 WeakPolarHBondContact O-CB 3.33Å; V413-A417 PolarHBondContact O-N 3.41Å; V413-A871 HydrophobicContact CG2-CB 3.49Å; V413-A871 VanDerWaalsContact CG2-CB 3.49Å
414	L	84.8	Confident	79.6	Confident	48 Å²	48	21.8 Å²	21.8	25%	0.251	12%	0.122	S	C	.	.	H	α-helix	trans	-66.3	-43.6	173.9	178	59.9	0	0	0	112.3	T368 A371 G410 V411 T412 A417 V418	T368-L414 WeakPolarHBondContact OG1-CD1 3.24Å; A371-L414 HydrophobicContact CB-CB 3.99Å; G410-L414 PolarHBondContact O-N 3.47Å; V411-L414 WeakPolarHBondContact O-CB 3.33Å; V411-L414 PolarHBondContact O-N 2.85Å; T412-L414 VanDerWaalsContact C-N 3.29Å; T412-L414 PolarHBondContact O-N 2.91Å; L414-A417 PolarHBondContact O-N 2.99Å; L414-V418 HydrophobicContact CD1-CG2 4.13Å; L414-V418 WeakPolarHBondContact O-CG2 3.41Å; L414-V418 PolarHBondContact O-N 3.08Å
415	V	80.4	Confident	79.5	Confident	4 Å²	4	21.1 Å²	21.1	2%	0.024	12%	0.118	C	C	.	.	H	α-helix	trans	-60.2	-52.6	177.4	168.8	0	0	0	0	110.7	V411 T412 A417 V418 L889	V411-V415 WeakPolarHBondContact O-CG2 3.32Å; V411-V415 PolarHBondContact O-N 2.94Å; T412-V415 PolarHBondContact O-N 2.7Å; V415-A417 PolarHBondContact O-N 3.19Å; V415-V418 PolarHBondContact O-N 3.23Å; V415-V418 VanDerWaalsContact O-N 3.15Å; V415-L889 HydrophobicContact CG1-CD2 4.05Å
416	V	81.6	Confident	79.7	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-64.4	-26	178.2	177.8	0	0	0	0	112.2	T412 N864 A867 M888 N892 M895	T412-V416 PolarHBondContact O-N 3.48Å; V416-N864 PolarHBondContact O-ND2 2.82Å; V416-A867 HydrophobicContact CG1-CB 3.64Å; V416-M888 HydrophobicContact CB-CE 4.24Å; V416-M888 HydrophobicContact CG1-CE 4.33Å; V416-M888 HydrophobicContact CG2-CB 3.97Å; V416-M888 HydrophobicContact CG2-CE 3.96Å; V416-M888 HydrophobicContact CG2-SD 4.37Å; V416-N892 HydrophobicContact CG2-CB 4.38Å; V416-M895 HydrophobicContact CG1-CE 4.2Å; V416-M895 HydrophobicContact CG1-SD 4.47Å
417	A	83.8	Confident	79.2	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-75	-26.3	176.3	0	0	0	0	0	114	I363 G367 V413 L414 V415 P419 N864 I868	I363-A417 WeakPolarHBondContact CG2-O 3.39Å; G367-A417 VanDerWaalsContact CA-CB 3.46Å; V413-A417 WeakPolarHBondContact O-CB 3.33Å; V413-A417 PolarHBondContact O-N 3.41Å; L414-A417 PolarHBondContact O-N 2.99Å; V415-A417 PolarHBondContact O-N 3.19Å; A417-P419 WeakPolarHBondContact O-CD 3.44Å; A417-N864 PolarHBondContact O-ND2 2.92Å; A417-I868 HydrophobicContact CB-CD1 3.57Å; A417-I868 HydrophobicContact CB-CG1 3.95Å
418	V	78.1	Confident	79	Confident	38 Å²	38	17.9 Å²	17.9	23%	0.23	11%	0.105	C	C	.	.	S	Bend	trans	-95.6	116.6	-176.8	175.8	0	0	0	0	110.3	L414 V415 E420	L414-V418 HydrophobicContact CD1-CG2 4.13Å; L414-V418 WeakPolarHBondContact O-CG2 3.41Å; L414-V418 PolarHBondContact O-N 3.08Å; V415-V418 PolarHBondContact O-N 3.23Å; V415-V418 VanDerWaalsContact O-N 3.15Å; V418-E420 HydrophobicContact CG1-CG 4.11Å; V418-E420 PolarHBondContact O-N 2.8Å; V418-E420 VanDerWaalsContact O-N 3.11Å
419	P	75.8	Confident	79.1	Confident	8 Å²	8	17.7 Å²	17.7	5%	0.052	10%	0.104	C	C	.	.			trans	-81	93	177.2	32.5	-34.4	0	0	0	110.8	I363 A417 L422 Q860 D896	I363-P419 HydrophobicContact CD1-CG 4.12Å; A417-P419 WeakPolarHBondContact O-CD 3.44Å; P419-L422 HydrophobicContact CB-CB 4.03Å; P419-L422 HydrophobicContact CB-CD1 4.36Å; P419-L422 HydrophobicContact CG-CB 4.37Å; P419-L422 HydrophobicContact CG-CD1 4Å; P419-Q860 HydrophobicContact CB-CG 4.03Å; P419-D896 WeakPolarHBondContact CA-OD2 3.11Å
420	E	72.7	Confident	79.2	Confident	55 Å²	55	17 Å²	17	26%	0.257	10%	0.099	S	C	.	.	S	Bend	trans	-74.5	-29.4	180	-65	-179.3	177.2	0	0	112.1	T103 V418 L422 P423 D896	T103-E420 PolarHBondContact OG1-OE1 2.87Å; V418-E420 HydrophobicContact CG1-CG 4.11Å; V418-E420 PolarHBondContact O-N 2.8Å; V418-E420 VanDerWaalsContact O-N 3.11Å; E420-L422 VanDerWaalsContact C-N 3.34Å; E420-P423 WeakPolarHBondContact O-CD 3.36Å; E420-D896 PolarHBondContact N-OD2 3.08Å
421	G	71.8	Confident	78.9	Confident	4 Å²	4	16.9 Å²	16.9	4%	0.041	10%	0.098	C	C	.	.	S	Bend	trans	-80.3	-5.5	176	0	0	0	0	0	114.7	L424 A425 D896	G421-L424 CarbonylContact O-C 3.53Å; G421-L424 WeakPolarHBondContact O-CA 3.28Å; G421-L424 WeakPolarHBondContact O-CB 3.3Å; G421-L424 PolarHBondContact O-N 2.85Å; G421-L424 VanDerWaalsContact O-N 3.08Å; G421-A425 PolarHBondContact O-N 3.33Å; G421-D896 WeakPolarHBondContact CA-OD1 2.77Å; G421-D896 PolarHBondContact N-OD1 2.98Å; G421-D896 PolarHBondContact N-OD2 2.97Å
422	L	76.4	Confident	78.8	Confident	9 Å²	9	18 Å²	18	5%	0.047	10%	0.1	C	C	.	.	H	α-helix	trans	-64.6	-44.3	178.5	176.2	164	0	0	0	113.4	L356 P419 E420 L424 A425 V426 F856 L857	L356-L422 HydrophobicContact CB-CD2 3.96Å; L356-L422 HydrophobicContact CD1-CD2 4.3Å; L356-L422 HydrophobicContact CD2-CD1 4.22Å; L356-L422 HydrophobicContact CD2-CD2 3.94Å; L356-L422 HydrophobicContact CD2-CG 4.2Å; L356-L422 HydrophobicContact CG-CD2 4.31Å; P419-L422 HydrophobicContact CB-CB 4.03Å; P419-L422 HydrophobicContact CB-CD1 4.36Å; P419-L422 HydrophobicContact CG-CB 4.37Å; P419-L422 HydrophobicContact CG-CD1 4Å; E420-L422 VanDerWaalsContact C-N 3.34Å; L422-L424 VanDerWaalsContact C-N 3.3Å; L422-L424 PolarHBondContact O-N 3.2Å; L422-A425 PolarHBondContact O-N 2.99Å; L422-V426 WeakPolarHBondContact O-CG2 3.47Å; L422-V426 PolarHBondContact O-N 3.43Å; L422-F856 HydrophobicContact CB-CE1 4.3Å; L422-L857 HydrophobicContact CD1-CD1 3.57Å; L422-L857 HydrophobicContact CG-CD1 4.39Å
423	P	71.2	Confident	79	Confident	79 Å²	79	17.8 Å²	17.8	51%	0.513	10%	0.099	S	C	.	.	H	α-helix	trans	-61.5	-32.6	166.4	-24.7	35.5	0	0	0	114	E420 T427	E420-P423 WeakPolarHBondContact O-CD 3.36Å; P423-T427 PolarHBondContact O-N 2.98Å; P423-T427 VanDerWaalsContact O-N 3.15Å; P423-T427 PolarHBondContact O-OG1 2.89Å
424	L	72.9	Confident	79	Confident	18 Å²	18	17.8 Å²	17.8	9%	0.094	10%	0.099	C	C	.	.	H	α-helix	trans	-66.8	-48.4	176.4	177.7	62.9	0	0	0	110.7	N158 G421 L422 V426 T427 L428	N158-L424 HydrophobicContact CB-CD1 4.2Å; N158-L424 HydrophobicContact CB-CD2 3.97Å; G421-L424 CarbonylContact O-C 3.53Å; G421-L424 WeakPolarHBondContact O-CA 3.28Å; G421-L424 WeakPolarHBondContact O-CB 3.3Å; G421-L424 PolarHBondContact O-N 2.85Å; G421-L424 VanDerWaalsContact O-N 3.08Å; L422-L424 VanDerWaalsContact C-N 3.3Å; L422-L424 PolarHBondContact O-N 3.2Å; L424-V426 VanDerWaalsContact C-N 3.32Å; L424-V426 PolarHBondContact O-N 2.93Å; L424-T427 PolarHBondContact O-N 3.44Å; L424-T427 VanDerWaalsContact O-N 3.08Å; L424-L428 HydrophobicContact CD1-CD1 4.31Å; L424-L428 VanDerWaalsContact O-CB 3.24Å; L424-L428 WeakPolarHBondContact O-CB 3.34Å; L424-L428 PolarHBondContact O-N 2.89Å
425	A	80	Confident	78.9	Confident	1 Å²	1	20.5 Å²	20.5	1%	0.008	11%	0.108	C	C	.	.	H	α-helix	trans	-53.8	-45.5	177.6	0	0	0	0	0	112.3	G421 L422 S429 F856	G421-A425 PolarHBondContact O-N 3.33Å; L422-A425 PolarHBondContact O-N 2.99Å; A425-S429 VanDerWaalsContact O-CB 3.27Å; A425-S429 WeakPolarHBondContact O-CB 3.31Å; A425-S429 PolarHBondContact O-N 3.48Å; A425-F856 HydrophobicContact CB-CD1 3.55Å; A425-F856 HydrophobicContact CB-CE1 3.79Å; A425-F856 HydrophobicContact CB-CG 4.1Å
426	V	80.1	Confident	79.2	Confident	6 Å²	6	25 Å²	25	4%	0.036	13%	0.125	C	C	.	.	H	α-helix	trans	-59	-52.7	174.5	177.1	0	0	0	0	111	Q353 L356 L422 L424 L428 L430 I853	Q353-V426 HydrophobicContact CG-CG1 4.45Å; L356-V426 HydrophobicContact CD1-CG2 3.2Å; L422-V426 WeakPolarHBondContact O-CG2 3.47Å; L422-V426 PolarHBondContact O-N 3.43Å; L424-V426 VanDerWaalsContact C-N 3.32Å; L424-V426 PolarHBondContact O-N 2.93Å; V426-L428 VanDerWaalsContact C-N 3.32Å; V426-L428 PolarHBondContact O-N 3.35Å; V426-L430 HydrophobicContact CG1-CD1 3.92Å; V426-L430 WeakPolarHBondContact O-CB 3.33Å; V426-L430 WeakPolarHBondContact O-CG 3.4Å; V426-L430 PolarHBondContact O-N 3.07Å; V426-I853 HydrophobicContact CB-CD1 4.28Å; V426-I853 HydrophobicContact CG1-CD1 4.26Å; V426-I853 HydrophobicContact CG2-CD1 4.08Å; V426-I853 HydrophobicContact CG2-CG1 4.45Å; V426-I853 HydrophobicContact CG2-CG2 4.35Å
427	T	75.6	Confident	79.5	Confident	32 Å²	32	24.9 Å²	24.9	20%	0.196	13%	0.125	C	C	.	.	H	α-helix	trans	-68	-35.5	-173.2	-47	0	0	0	0	111.5	K162 F166 P423 L424 A431	K162-T427 HydrophobicContact CD-CG2 3.57Å; K162-T427 HydrophobicContact CG-CG2 3.91Å; F166-T427 HydrophobicContact CE2-CG2 3.73Å; F166-T427 HydrophobicContact CZ-CG2 3.65Å; P423-T427 PolarHBondContact O-N 2.98Å; P423-T427 VanDerWaalsContact O-N 3.15Å; P423-T427 PolarHBondContact O-OG1 2.89Å; L424-T427 PolarHBondContact O-N 3.44Å; L424-T427 VanDerWaalsContact O-N 3.08Å; T427-A431 VanDerWaalsContact O-CB 3.27Å; T427-A431 WeakPolarHBondContact O-CB 3.35Å; T427-A431 PolarHBondContact O-N 3.13Å
428	L	78.2	Confident	79.5	Confident	17 Å²	17	26.8 Å²	26.8	9%	0.089	13%	0.134	C	C	.	.	H	α-helix	trans	-77.1	-39.6	-179.3	-158.6	150.5	0	0	0	111.5	L424 V426 L430 A431 Y432 L901 A904 T905	L424-L428 HydrophobicContact CD1-CD1 4.31Å; L424-L428 VanDerWaalsContact O-CB 3.24Å; L424-L428 WeakPolarHBondContact O-CB 3.34Å; L424-L428 PolarHBondContact O-N 2.89Å; V426-L428 VanDerWaalsContact C-N 3.32Å; V426-L428 PolarHBondContact O-N 3.35Å; L428-L430 VanDerWaalsContact C-N 3.34Å; L428-A431 PolarHBondContact O-N 2.79Å; L428-Y432 VanDerWaalsContact O-CB 3.24Å; L428-Y432 WeakPolarHBondContact O-CB 3.17Å; L428-Y432 PolarHBondContact O-N 2.93Å; L428-L901 HydrophobicContact CD1-CD1 3.76Å; L428-L901 HydrophobicContact CD2-CD1 3.76Å; L428-L901 HydrophobicContact CG-CD1 4.42Å; L428-A904 HydrophobicContact CD2-CB 4.47Å; L428-T905 HydrophobicContact CD2-CG2 3.62Å
429	S	84	Confident	79.9	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.4	-42	171.3	-158.7	0	0	0	0	111.5	A425 S433 A904	A425-S429 VanDerWaalsContact O-CB 3.27Å; A425-S429 WeakPolarHBondContact O-CB 3.31Å; A425-S429 PolarHBondContact O-N 3.48Å; S429-S433 WeakPolarHBondContact O-CB 3.28Å; S429-S433 PolarHBondContact O-N 3.13Å; S429-S433 PolarHBondContact O-OG 3.19Å; S429-A904 WeakPolarHBondContact CB-O 3.29Å; S429-A904 PolarHBondContact OG-O 3Å
430	L	82.5	Confident	80.5	Confident	6 Å²	6	33.6 Å²	33.6	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-64.5	-50	174.4	-76.8	171.9	0	0	0	112.3	V426 L428 Y432 S433 V434 L447 C450 E451 V849	V426-L430 HydrophobicContact CG1-CD1 3.92Å; V426-L430 WeakPolarHBondContact O-CB 3.33Å; V426-L430 WeakPolarHBondContact O-CG 3.4Å; V426-L430 PolarHBondContact O-N 3.07Å; L428-L430 VanDerWaalsContact C-N 3.34Å; L430-Y432 PolarHBondContact O-N 3.47Å; L430-S433 PolarHBondContact O-N 2.93Å; L430-V434 WeakPolarHBondContact O-CB 3.46Å; L430-V434 WeakPolarHBondContact O-CG2 3.47Å; L430-V434 PolarHBondContact O-N 2.63Å; L430-L447 WeakPolarHBondContact CD2-O 3.43Å; L430-C450 HydrophobicContact CD2-CB 4.04Å; L430-E451 HydrophobicContact CD2-CB 4.43Å; L430-V849 HydrophobicContact CD2-CG1 3.88Å; L430-V849 HydrophobicContact CD2-CG2 4.4Å; L430-V849 HydrophobicContact CG-CG1 4.24Å
431	A	77.9	Confident	81.3	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-62.1	-41.8	-179.7	0	0	0	0	0	112.3	Q165 F166 T427 L428 K435	Q165-A431 HydrophobicContact CB-CB 4.46Å; F166-A431 HydrophobicContact CE1-CB 4.1Å; F166-A431 HydrophobicContact CZ-CB 4.11Å; T427-A431 VanDerWaalsContact O-CB 3.27Å; T427-A431 WeakPolarHBondContact O-CB 3.35Å; T427-A431 PolarHBondContact O-N 3.13Å; L428-A431 PolarHBondContact O-N 2.79Å; A431-K435 WeakPolarHBondContact O-CB 2.93Å; A431-K435 PolarHBondContact O-N 2.82Å; A431-K435 VanDerWaalsContact O-N 3.12Å
432	Y	81.8	Confident	82.2	Confident	44 Å²	44	33.6 Å²	33.6	17%	0.173	16%	0.163	C	C	.	.	H	α-helix	trans	-61.6	-48.9	173	-178.8	-83.5	0	0	0	111.4	L428 L430 K435 R436 W845 T905	L428-Y432 VanDerWaalsContact O-CB 3.24Å; L428-Y432 WeakPolarHBondContact O-CB 3.17Å; L428-Y432 PolarHBondContact O-N 2.93Å; L430-Y432 PolarHBondContact O-N 3.47Å; Y432-K435 PolarHBondContact O-N 3.3Å; Y432-R436 HydrophobicContact CD1-CG 4.16Å; Y432-R436 HydrophobicContact CE1-CG 3.83Å; Y432-R436 VanDerWaalsContact O-CG 3.3Å; Y432-R436 WeakPolarHBondContact O-CG 3.33Å; Y432-R436 PolarHBondContact O-N 3.13Å; Y432-R436 VanDerWaalsContact O-N 3.11Å; Y432-W845 HydrophobicContact CD1-CZ3 4.39Å; Y432-W845 HydrophobicContact CE1-CH2 4.23Å; Y432-W845 HydrophobicContact CE1-CZ3 4.25Å; Y432-T905 HydrophobicContact CD2-CG2 3.91Å; Y432-T905 HydrophobicContact CE2-CG2 4.35Å; Y432-T905 HydrophobicContact CG-CG2 4.28Å; Y432-T905 PolarHBondContact OH-O 3.47Å
433	S	86.3	Confident	82.7	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.4	-44.3	-176.1	-61.4	0	0	0	0	111.9	S429 L430 K435 R436 M437 V849	S429-S433 WeakPolarHBondContact O-CB 3.28Å; S429-S433 PolarHBondContact O-N 3.13Å; S429-S433 PolarHBondContact O-OG 3.19Å; L430-S433 PolarHBondContact O-N 2.93Å; S433-K435 VanDerWaalsContact C-N 3.35Å; S433-K435 PolarHBondContact O-N 3.3Å; S433-R436 CarbonylContact O-C 3.6Å; S433-R436 WeakPolarHBondContact O-CA 3.24Å; S433-R436 WeakPolarHBondContact O-CB 3.41Å; S433-R436 PolarHBondContact O-N 3.43Å; S433-M437 WeakPolarHBondContact O-CB 3.32Å; S433-M437 VanDerWaalsContact O-CG 3.28Å; S433-M437 WeakPolarHBondContact O-CG 3.39Å; S433-M437 PolarHBondContact O-N 2.85Å; S433-V849 VanDerWaalsContact OG-CG2 3.24Å; S433-V849 WeakPolarHBondContact OG-CG2 3.1Å
434	V	83.1	Confident	83.5	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-61.1	-42.6	175.3	168.7	0	0	0	0	111.3	L169 L430 R436 M437 M438 V444 L447 C450	L169-V434 HydrophobicContact CD1-CB 4.35Å; L169-V434 HydrophobicContact CD1-CG1 3.69Å; L169-V434 HydrophobicContact CD2-CG1 3.9Å; L169-V434 HydrophobicContact CG-CG1 4.42Å; L430-V434 WeakPolarHBondContact O-CB 3.46Å; L430-V434 WeakPolarHBondContact O-CG2 3.47Å; L430-V434 PolarHBondContact O-N 2.63Å; V434-R436 PolarHBondContact O-N 3.12Å; V434-M437 PolarHBondContact O-N 2.93Å; V434-M438 WeakPolarHBondContact O-CB 3.27Å; V434-M438 PolarHBondContact O-N 2.81Å; V434-V444 HydrophobicContact CG1-CB 3.93Å; V434-V444 HydrophobicContact CG1-CG2 4.44Å; V434-V444 HydrophobicContact CG2-CB 4.01Å; V434-V444 HydrophobicContact CG2-CG1 4.07Å; V434-V444 HydrophobicContact CG2-CG2 4.19Å; V434-L447 HydrophobicContact CG1-CD2 4.43Å; V434-L447 HydrophobicContact CG2-CD2 4.03Å; V434-C450 HydrophobicContact CG2-CB 4.28Å
435	K	83	Confident	83.9	Confident	105 Å²	105	32.2 Å²	32.2	46%	0.457	15%	0.146	S	C	.	.	H	α-helix	trans	-63.5	-18.7	173.9	-176.9	173.2	178	178.6	0	113.6	A431 Y432 S433	A431-K435 WeakPolarHBondContact O-CB 2.93Å; A431-K435 PolarHBondContact O-N 2.82Å; A431-K435 VanDerWaalsContact O-N 3.12Å; Y432-K435 PolarHBondContact O-N 3.3Å; S433-K435 VanDerWaalsContact C-N 3.35Å; S433-K435 PolarHBondContact O-N 3.3Å
436	R	87.2	Confident	83.8	Confident	98 Å²	98	35.7 Å²	35.7	37%	0.37	16%	0.162	S	C	.	.	H	α-helix	trans	-94.9	-42.1	174.6	-69.7	-76.2	167.8	173.5	-1.6	112.8	Y432 S433 V434 M438 K439 D440 W845	Y432-R436 HydrophobicContact CD1-CG 4.16Å; Y432-R436 HydrophobicContact CE1-CG 3.83Å; Y432-R436 VanDerWaalsContact O-CG 3.3Å; Y432-R436 WeakPolarHBondContact O-CG 3.33Å; Y432-R436 PolarHBondContact O-N 3.13Å; Y432-R436 VanDerWaalsContact O-N 3.11Å; S433-R436 CarbonylContact O-C 3.6Å; S433-R436 WeakPolarHBondContact O-CA 3.24Å; S433-R436 WeakPolarHBondContact O-CB 3.41Å; S433-R436 PolarHBondContact O-N 3.43Å; V434-R436 PolarHBondContact O-N 3.12Å; R436-M438 PolarHBondContact O-N 3.25Å; R436-K439 CarbonylContact O-C 3.5Å; R436-K439 WeakPolarHBondContact O-CA 3.46Å; R436-K439 WeakPolarHBondContact O-CB 3.32Å; R436-K439 PolarHBondContact O-N 3.46Å; R436-D440 PolarHBondContact O-N 3.04Å; R436-W845 HydrophobicContact CB-CH2 3.39Å; R436-W845 HydrophobicContact CB-CZ2 3.35Å; R436-W845 HydrophobicContact CB-CZ3 4Å; R436-W845 HydrophobicContact CG-CH2 3.71Å; R436-W845 HydrophobicContact CG-CZ2 4.09Å; R436-W845 HydrophobicContact CG-CZ3 4.38Å
437	M	86.6	Confident	83.5	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-52	-40.7	169.9	-72.2	171.3	92.8	0	0	111.2	S433 V434 K439 D440 N441 N442 V444 C450 I829 A842 W845	S433-M437 WeakPolarHBondContact O-CB 3.32Å; S433-M437 VanDerWaalsContact O-CG 3.28Å; S433-M437 WeakPolarHBondContact O-CG 3.39Å; S433-M437 PolarHBondContact O-N 2.85Å; V434-M437 PolarHBondContact O-N 2.93Å; M437-K439 VanDerWaalsContact C-N 3.26Å; M437-K439 PolarHBondContact O-N 3.31Å; M437-D440 CarbonylContact O-C 3.59Å; M437-D440 WeakPolarHBondContact O-CA 3.44Å; M437-D440 WeakPolarHBondContact O-CB 3.1Å; M437-D440 PolarHBondContact O-N 2.8Å; M437-N441 PolarHBondContact O-N 2.92Å; M437-N442 CarbonylContact C-O 3.52Å; M437-N442 HydrophobicContact CB-CB 3.93Å; M437-N442 WeakPolarHBondContact O-CB 3.46Å; M437-N442 PolarHBondContact O-N 3.47Å; M437-V444 HydrophobicContact CB-CG2 4.34Å; M437-V444 HydrophobicContact CE-CG2 3.85Å; M437-V444 HydrophobicContact SD-CG2 3.82Å; M437-C450 HydrophobicContact CE-CB 4.38Å; M437-C450 HydrophobicContact SD-CB 4.05Å; M437-C450 PolarHBondContact SD-SG 3.32Å; M437-I829 HydrophobicContact CE-CD1 4.41Å; M437-A842 HydrophobicContact CE-CB 3.8Å; M437-W845 HydrophobicContact CE-CB 4.16Å; M437-W845 HydrophobicContact CG-CB 3.65Å; M437-W845 HydrophobicContact CG-CD2 4.12Å; M437-W845 HydrophobicContact CG-CG 3.5Å; M437-W845 VanDerWaalsContact CG-CG 3.5Å; M437-W845 HydrophobicContact SD-CB 3.89Å; M437-W845 HydrophobicContact SD-CG 4.37Å
438	M	83.8	Confident	83.7	Confident	40 Å²	40	40 Å²	40	20%	0.197	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-63.9	-24.8	174.3	-175.3	-166.5	70.3	0	0	114	L169 K172 V434 R436 N442 L443	L169-M438 HydrophobicContact CD2-SD 3.91Å; K172-M438 HydrophobicContact CD-CE 3.83Å; K172-M438 HydrophobicContact CD-SD 3.52Å; K172-M438 VanDerWaalsContact CD-SD 3.52Å; V434-M438 WeakPolarHBondContact O-CB 3.27Å; V434-M438 PolarHBondContact O-N 2.81Å; R436-M438 PolarHBondContact O-N 3.25Å; M438-N442 WeakPolarHBondContact CA-O 3.44Å; M438-N442 PolarHBondContact N-O 2.91Å; M438-N442 VanDerWaalsContact N-O 3.13Å; M438-L443 HydrophobicContact CG-CD1 4.24Å
439	K	86.8	Confident	84.1	Confident	145 Å²	145	39.3 Å²	39.3	63%	0.63	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-83.2	-18.4	168.3	-65.5	-166.6	170.5	-154.8	0	113	R436 M437 N441	R436-K439 CarbonylContact O-C 3.5Å; R436-K439 WeakPolarHBondContact O-CA 3.46Å; R436-K439 WeakPolarHBondContact O-CB 3.32Å; R436-K439 PolarHBondContact O-N 3.46Å; M437-K439 VanDerWaalsContact C-N 3.26Å; M437-K439 PolarHBondContact O-N 3.31Å; K439-N441 VanDerWaalsContact C-N 3.31Å
440	D	88.9	Confident	84.2	Confident	44 Å²	44	39.3 Å²	39.3	24%	0.235	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-96.7	28.3	173.3	-87.1	-45	0	0	0	111.4	R436 M437 N442 K841 W845	R436-D440 PolarHBondContact O-N 3.04Å; M437-D440 CarbonylContact O-C 3.59Å; M437-D440 WeakPolarHBondContact O-CA 3.44Å; M437-D440 WeakPolarHBondContact O-CB 3.1Å; M437-D440 PolarHBondContact O-N 2.8Å; D440-N442 PolarHBondContact O-N 3.08Å; D440-N442 PolarHBondContact O-ND2 3.07Å; D440-K841 HydrophobicContact CB-CD 3.67Å; D440-K841 WeakPolarHBondContact OD1-CD 3.28Å; D440-K841 WeakPolarHBondContact OD1-CE 3.49Å; D440-K841 IonicContact OD1-NZ 3.73Å; D440-K841 PolarHBondContact OD1-NZ 3Å; D440-W845 PolarHBondContact OD2-NE1 3.2Å
441	N	89.2	Confident	84.4	Confident	59 Å²	59	39 Å²	39	32%	0.316	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	23.9	176.9	-54.6	-20.4	0	0	0	116	M437 K439 L831 T832 D833	M437-N441 PolarHBondContact O-N 2.92Å; K439-N441 VanDerWaalsContact C-N 3.31Å; N441-L831 WeakPolarHBondContact O-CA 3.34Å; N441-T832 VanDerWaalsContact CA-OG1 3.3Å; N441-T832 WeakPolarHBondContact CA-OG1 3.35Å; N441-T832 WeakPolarHBondContact CB-OG1 3.28Å; N441-T832 PolarHBondContact O-N 3.25Å; N441-T832 PolarHBondContact O-OG1 2.64Å; N441-D833 HydrophobicContact CB-CB 3.96Å; N441-D833 WeakPolarHBondContact CB-OD2 3.39Å; N441-D833 VanDerWaalsContact ND2-CG 3.34Å; N441-D833 PolarHBondContact ND2-OD2 3.03Å
442	N	90.3	Very high	84.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	100.7	175.8	-76.5	-96	0	0	0	110.7	M437 M438 D440 V444 I829 L831 S838	M437-N442 CarbonylContact C-O 3.52Å; M437-N442 HydrophobicContact CB-CB 3.93Å; M437-N442 WeakPolarHBondContact O-CB 3.46Å; M437-N442 PolarHBondContact O-N 3.47Å; M438-N442 WeakPolarHBondContact CA-O 3.44Å; M438-N442 PolarHBondContact N-O 2.91Å; M438-N442 VanDerWaalsContact N-O 3.13Å; D440-N442 PolarHBondContact O-N 3.08Å; D440-N442 PolarHBondContact O-ND2 3.07Å; N442-V444 PolarHBondContact O-N 3.46Å; N442-I829 HydrophobicContact CB-CG2 4.18Å; N442-L831 VanDerWaalsContact OD1-CD2 3.31Å; N442-L831 WeakPolarHBondContact OD1-CD2 3.42Å; N442-S838 WeakPolarHBondContact ND2-CB 3.27Å; N442-S838 PolarHBondContact ND2-O 3.08Å; N442-S838 PolarHBondContact OD1-O 2.9Å
443	L	88	Confident	85.4	Confident	7 Å²	7	37.5 Å²	37.5	4%	0.037	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	99.7	175	-176	71.6	0	0	0	110	I173 M438 R445 I829 I830 T832	I173-L443 HydrophobicContact CG1-CD1 3.82Å; I173-L443 HydrophobicContact CG1-CD2 4.14Å; I173-L443 HydrophobicContact CG1-CG 4.11Å; M438-L443 HydrophobicContact CG-CD1 4.24Å; L443-R445 PolarHBondContact O-N 3.47Å; L443-I829 WeakPolarHBondContact O-CA 3.15Å; L443-I830 HydrophobicContact CB-CB 4.31Å; L443-I830 HydrophobicContact CD2-CD1 4.47Å; L443-I830 PolarHBondContact N-O 3.35Å; L443-I830 PolarHBondContact O-N 2.85Å; L443-T832 HydrophobicContact CB-CG2 3.93Å
444	V	86.9	Confident	85.5	Confident	7 Å²	7	37.6 Å²	37.6	4%	0.042	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	116.8	179.5	-176.7	0	0	0	0	110.4	V434 M437 N442 H446 I829	V434-V444 HydrophobicContact CG1-CB 3.93Å; V434-V444 HydrophobicContact CG1-CG2 4.44Å; V434-V444 HydrophobicContact CG2-CB 4.01Å; V434-V444 HydrophobicContact CG2-CG1 4.07Å; V434-V444 HydrophobicContact CG2-CG2 4.19Å; M437-V444 HydrophobicContact CB-CG2 4.34Å; M437-V444 HydrophobicContact CE-CG2 3.85Å; M437-V444 HydrophobicContact SD-CG2 3.82Å; N442-V444 PolarHBondContact O-N 3.46Å; V444-H446 WeakPolarHBondContact CG1-O 3.48Å; V444-I829 HydrophobicContact CB-CG1 4.49Å; V444-I829 HydrophobicContact CG1-CG1 4.3Å; V444-I829 HydrophobicContact CG2-CD1 4.21Å; V444-I829 HydrophobicContact CG2-CG1 4.15Å; V444-I829 HydrophobicContact CG2-CG2 4.33Å
445	R	81.7	Confident	85.8	Confident	62 Å²	62	37.8 Å²	37.8	23%	0.234	18%	0.176	C	C	.	.	S	Bend	trans	-84.4	-38.3	174.6	-59	175	72.7	-128.3	7.8	111.8	L443 K824 E825 S827 D828 I830	L443-R445 PolarHBondContact O-N 3.47Å; R445-K824 PolarHBondContact NH1-O 3.41Å; R445-E825 PolarHBondContact NH1-O 2.93Å; R445-S827 PolarHBondContact NH1-O 2.63Å; R445-D828 WeakPolarHBondContact CB-O 3.17Å; R445-D828 PolarHBondContact N-O 3.41Å; R445-I830 HydrophobicContact CG-CD1 4.46Å
446	H	77.3	Confident	86.2	Confident	74 Å²	74	32.8 Å²	32.8	34%	0.343	15%	0.154	S	C	.	.	S	Bend	trans	-117.8	113.2	-178.5	-63.3	-36.2	0	0	0	110.6	V444 D448 A449 D828	V444-H446 WeakPolarHBondContact CG1-O 3.48Å; H446-D448 VanDerWaalsContact C-N 3.29Å; H446-D448 PolarHBondContact O-N 3.1Å; H446-A449 VanDerWaalsContact O-CB 3.25Å; H446-A449 WeakPolarHBondContact O-CB 3.38Å; H446-A449 PolarHBondContact O-N 3.36Å; H446-D828 HydrophobicContact CB-CB 4.2Å; H446-D828 IonicContact CD2-OD1 2.69Å; H446-D828 PolarHBondContact CD2-OD1 2.99Å; H446-D828 VanDerWaalsContact CD2-OD1 3.26Å; H446-D828 IonicContact CG-OD1 3.56Å; H446-D828 PolarHBondContact N-O 2.96Å
447	L	75.1	Confident	86.4	Confident	58 Å²	58	28.7 Å²	28.7	30%	0.304	14%	0.14	S	C	.	.	H	α-helix	trans	-62	-35.1	-165.1	-60	171.3	0	0	0	113.2	F166 L430 V434 A449 C450	F166-L447 HydrophobicContact CD1-CD1 4.04Å; F166-L447 HydrophobicContact CD1-CD2 4.35Å; F166-L447 HydrophobicContact CE1-CD1 3.35Å; F166-L447 HydrophobicContact CE1-CD2 3.84Å; F166-L447 HydrophobicContact CE1-CG 4.25Å; F166-L447 HydrophobicContact CZ-CD1 3.82Å; L430-L447 WeakPolarHBondContact CD2-O 3.43Å; V434-L447 HydrophobicContact CG1-CD2 4.43Å; V434-L447 HydrophobicContact CG2-CD2 4.03Å; L447-A449 VanDerWaalsContact C-N 3.27Å; L447-A449 PolarHBondContact O-N 2.87Å; L447-C450 WeakPolarHBondContact O-CB 3.38Å; L447-C450 PolarHBondContact O-N 3.43Å
448	D	80.2	Confident	86.8	Confident	70 Å²	70	28.7 Å²	28.7	37%	0.374	14%	0.14	S	C	.	.	H	α-helix	trans	-69.6	-19	178.2	48.7	-41.6	0	0	0	113.7	H446 C450 T452	H446-D448 VanDerWaalsContact C-N 3.29Å; H446-D448 PolarHBondContact O-N 3.1Å; D448-C450 VanDerWaalsContact C-N 3.33Å; D448-T452 WeakPolarHBondContact O-CB 3.33Å; D448-T452 PolarHBondContact O-N 3.29Å; D448-T452 PolarHBondContact O-OG1 2.71Å
449	A	86.6	Confident	87.4	Confident	3 Å²	3	26.8 Å²	26.8	3%	0.025	13%	0.131	C	C	.	.	H	α-helix	trans	-68.9	-30.1	171.8	0	0	0	0	0	112.7	H446 L447 T452 M453 V811 D828 I829	H446-A449 VanDerWaalsContact O-CB 3.25Å; H446-A449 WeakPolarHBondContact O-CB 3.38Å; H446-A449 PolarHBondContact O-N 3.36Å; L447-A449 VanDerWaalsContact C-N 3.27Å; L447-A449 PolarHBondContact O-N 2.87Å; A449-T452 PolarHBondContact O-N 3.03Å; A449-M453 WeakPolarHBondContact O-CB 3.42Å; A449-M453 PolarHBondContact O-N 3.46Å; A449-V811 HydrophobicContact CB-CG1 4.17Å; A449-V811 HydrophobicContact CB-CG2 4.17Å; A449-D828 HydrophobicContact CB-CB 3.42Å; A449-D828 VanDerWaalsContact CB-CB 3.42Å; A449-I829 HydrophobicContact CB-CD1 4.4Å; A449-I829 HydrophobicContact CB-CG1 4.32Å
450	C	86.1	Confident	87.8	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.4	-51.8	174.3	173.2	0	0	0	0	111.3	L430 V434 M437 L447 D448 G846	L430-C450 HydrophobicContact CD2-CB 4.04Å; V434-C450 HydrophobicContact CG2-CB 4.28Å; M437-C450 HydrophobicContact CE-CB 4.38Å; M437-C450 HydrophobicContact SD-CB 4.05Å; M437-C450 PolarHBondContact SD-SG 3.32Å; L447-C450 WeakPolarHBondContact O-CB 3.38Å; L447-C450 PolarHBondContact O-N 3.43Å; D448-C450 VanDerWaalsContact C-N 3.33Å; C450-G846 WeakPolarHBondContact O-CA 3.37Å
451	E	86.5	Confident	88.1	Confident	1 Å²	1	18 Å²	18	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-63.4	-44.9	174.7	178	-146.1	124.5	0	0	111.9	S350 V351 L352 L430 M453 G454 N455	S350-E451 WeakPolarHBondContact CB-OE2 3.47Å; S350-E451 PolarHBondContact OG-OE1 2.83Å; S350-E451 PolarHBondContact OG-OE2 3.23Å; V351-E451 PolarHBondContact N-OE1 3.37Å; L352-E451 HydrophobicContact CB-CG 4.01Å; L352-E451 WeakPolarHBondContact CB-OE1 3.35Å; L352-E451 WeakPolarHBondContact CB-OE2 3.36Å; L352-E451 HydrophobicContact CD2-CG 4.22Å; L352-E451 PolarHBondContact N-OE1 2.83Å; L430-E451 HydrophobicContact CD2-CB 4.43Å; E451-M453 VanDerWaalsContact C-N 3.31Å; E451-M453 PolarHBondContact O-N 2.91Å; E451-G454 PolarHBondContact O-N 3.47Å; E451-G454 VanDerWaalsContact O-N 3.11Å; E451-N455 PolarHBondContact O-ND2 3.15Å
452	T	88.4	Confident	88.1	Confident	13 Å²	13	15.9 Å²	15.9	8%	0.08	8%	0.079	C	C	.	.	H	α-helix	trans	-64.4	-37.1	-175.2	-58.2	0	0	0	0	111.2	D448 A449 G454 N455 V792 D810 V811	D448-T452 WeakPolarHBondContact O-CB 3.33Å; D448-T452 PolarHBondContact O-N 3.29Å; D448-T452 PolarHBondContact O-OG1 2.71Å; A449-T452 PolarHBondContact O-N 3.03Å; T452-G454 VanDerWaalsContact C-N 3.25Å; T452-G454 PolarHBondContact O-N 3.49Å; T452-N455 PolarHBondContact O-N 3.4Å; T452-V792 HydrophobicContact CG2-CG1 3.77Å; T452-D810 HydrophobicContact CG2-CB 4.05Å; T452-D810 WeakPolarHBondContact CG2-O 3.18Å; T452-V811 HydrophobicContact CG2-CG2 3.96Å
453	M	90.8	Very high	88	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.4	-30.5	175.5	-166.2	59.1	-179.1	0	0	113.1	A449 E451 N455 A456 I459 A794 V811 F813 I839 A842 V843	A449-M453 WeakPolarHBondContact O-CB 3.42Å; A449-M453 PolarHBondContact O-N 3.46Å; E451-M453 VanDerWaalsContact C-N 3.31Å; E451-M453 PolarHBondContact O-N 2.91Å; M453-N455 PolarHBondContact O-N 3.5Å; M453-N455 VanDerWaalsContact O-N 3.1Å; M453-A456 HydrophobicContact CE-CB 4.26Å; M453-A456 VanDerWaalsContact O-CB 3.31Å; M453-A456 WeakPolarHBondContact O-CB 3.34Å; M453-A456 PolarHBondContact O-N 2.99Å; M453-A456 VanDerWaalsContact O-N 3.1Å; M453-A456 HydrophobicContact SD-CB 3.82Å; M453-I459 HydrophobicContact CE-CD1 4.35Å; M453-I459 HydrophobicContact CE-CG1 4.43Å; M453-A794 HydrophobicContact CE-CB 3.89Å; M453-A794 HydrophobicContact SD-CB 3.77Å; M453-V811 HydrophobicContact CB-CG2 4.15Å; M453-V811 HydrophobicContact SD-CB 4.31Å; M453-V811 HydrophobicContact SD-CG1 4.33Å; M453-V811 HydrophobicContact SD-CG2 4.35Å; M453-F813 HydrophobicContact CE-CE2 3.53Å; M453-F813 HydrophobicContact CE-CZ 3.67Å; M453-F813 HydrophobicContact CG-CE2 4.4Å; M453-F813 HydrophobicContact CG-CZ 4.04Å; M453-F813 HydrophobicContact SD-CE2 3.56Å; M453-F813 VanDerWaalsContact SD-CE2 3.56Å; M453-F813 HydrophobicContact SD-CZ 3.79Å; M453-I839 HydrophobicContact CE-CG2 3.49Å; M453-I839 VanDerWaalsContact CE-CG2 3.49Å; M453-A842 HydrophobicContact CG-CB 4.27Å; M453-V843 HydrophobicContact CE-CG2 3.46Å; M453-V843 VanDerWaalsContact CE-CG2 3.46Å; M453-V843 HydrophobicContact CG-CG2 3.99Å; M453-V843 HydrophobicContact SD-CG2 4.37Å
454	G	89.3	Confident	87.6	Confident	1 Å²	1	17.8 Å²	17.8	1%	0.01	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-21	173.5	0	0	0	0	0	113.9	E451 T452 G846 R847	E451-G454 PolarHBondContact O-N 3.47Å; E451-G454 VanDerWaalsContact O-N 3.11Å; T452-G454 VanDerWaalsContact C-N 3.25Å; T452-G454 PolarHBondContact O-N 3.49Å; G454-G846 VanDerWaalsContact CA-C 3.44Å; G454-R847 VanDerWaalsContact O-CG 3.28Å; G454-R847 WeakPolarHBondContact O-CG 3.23Å
455	N	89.7	Confident	87.1	Confident	6 Å²	6	17.4 Å²	17.4	3%	0.032	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	3.4	179.5	-71.7	-83.7	0	0	0	114	E451 T452 M453 T457 V792 G919	E451-N455 PolarHBondContact O-ND2 3.15Å; T452-N455 PolarHBondContact O-N 3.4Å; M453-N455 PolarHBondContact O-N 3.5Å; M453-N455 VanDerWaalsContact O-N 3.1Å; N455-T457 PolarHBondContact O-N 3.47Å; N455-V792 HydrophobicContact CB-CG2 4.17Å; N455-V792 WeakPolarHBondContact O-CB 3.41Å; N455-G919 PolarHBondContact OD1-N 3.33Å; N455-G919 VanDerWaalsContact OD1-N 3.1Å
456	A	90.9	Very high	87.2	Confident	1 Å²	1	14.5 Å²	14.5	1%	0.008	8%	0.078	C	C	.	.			trans	-54.1	133.6	-179.4	0	0	0	0	0	112.2	M453 I702 P917	M453-A456 HydrophobicContact CE-CB 4.26Å; M453-A456 VanDerWaalsContact O-CB 3.31Å; M453-A456 WeakPolarHBondContact O-CB 3.34Å; M453-A456 PolarHBondContact O-N 2.99Å; M453-A456 VanDerWaalsContact O-N 3.1Å; M453-A456 HydrophobicContact SD-CB 3.82Å; A456-I702 HydrophobicContact CB-CD1 4.42Å; A456-P917 WeakPolarHBondContact O-CG 3.45Å
457	T	92.5	Very high	87.8	Confident	12 Å²	12	11 Å²	11	7%	0.074	6%	0.061	C	C	.	.			trans	-115.7	-22.7	177	59.8	0	0	0	0	112.5	N455 T703 Q791 V792 P917	N455-T457 PolarHBondContact O-N 3.47Å; T457-T703 PolarHBondContact O-N 2.74Å; T457-Q791 VanDerWaalsContact CB-OE1 3.3Å; T457-Q791 WeakPolarHBondContact OG1-CA 3.39Å; T457-Q791 WeakPolarHBondContact OG1-CB 3.29Å; T457-Q791 VanDerWaalsContact OG1-CD 3.23Å; T457-Q791 PolarHBondContact OG1-OE1 3.24Å; T457-V792 PolarHBondContact N-O 3.48Å; T457-V792 PolarHBondContact OG1-N 2.83Å; T457-V792 PolarHBondContact OG1-O 3.11Å; T457-P917 HydrophobicContact CG2-CG 3.74Å
458	A	93.6	Very high	88.4	Confident	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	143	175.6	0	0	0	0	0	111	T703 V792 A794	A458-T703 WeakPolarHBondContact CA-O 3.37Å; A458-V792 PolarHBondContact N-O 3.04Å; A458-A794 PolarHBondContact O-N 3.26Å
459	I	96.1	Very high	88.4	Confident	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.3	168	-66.5	162.7	0	0	0	107	M453 I702 T703 V704 R705 A794 F836 I839	M453-I459 HydrophobicContact CE-CD1 4.35Å; M453-I459 HydrophobicContact CE-CG1 4.43Å; I459-I702 HydrophobicContact CD1-CG2 3.77Å; I459-I702 HydrophobicContact CG1-CG2 3.8Å; I459-T703 PolarHBondContact N-O 3.07Å; I459-T703 VanDerWaalsContact N-O 3.11Å; I459-V704 HydrophobicContact CD1-CG2 4.5Å; I459-V704 CarbonylContact O-C 3.58Å; I459-V704 WeakPolarHBondContact O-CA 3.29Å; I459-R705 PolarHBondContact O-N 2.86Å; I459-A794 WeakPolarHBondContact CA-O 3.34Å; I459-A794 HydrophobicContact CG1-CB 4.06Å; I459-F836 HydrophobicContact CG2-CZ 4.36Å; I459-I839 HydrophobicContact CD1-CG2 4.16Å
460	C	95.7	Very high	88	Confident	4 Å²	4	8 Å²	8	3%	0.027	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	108.8	172	-69.7	0	0	0	0	109	V707 V778 A794 V795 T796	C460-V707 HydrophobicContact CB-CG2 4.18Å; C460-V778 HydrophobicContact CB-CG2 4.47Å; C460-A794 PolarHBondContact N-O 3.22Å; C460-V795 HydrophobicContact CB-CG2 4.41Å; C460-V795 VanDerWaalsContact O-CA 3.3Å; C460-V795 WeakPolarHBondContact O-CA 3.3Å; C460-T796 PolarHBondContact O-N 2.92Å
461	S	94.5	Very high	87.7	Confident	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.8	-173.8	-172.2	0	0	0	0	112.4	T466 R705 M706 V707 T796	S461-T466 VanDerWaalsContact OG-CG2 3.24Å; S461-T466 WeakPolarHBondContact OG-CG2 3.45Å; S461-R705 PolarHBondContact N-O 3.24Å; S461-M706 CarbonylContact O-C 3.51Å; S461-M706 WeakPolarHBondContact O-CA 3.37Å; S461-V707 PolarHBondContact O-N 3.39Å; S461-T796 WeakPolarHBondContact CA-OG1 3.22Å; S461-T796 WeakPolarHBondContact CB-OG1 3.46Å; S461-T796 PolarHBondContact OG-OG1 3.1Å
462	D	89.6	Confident	87.7	Confident	14 Å²	14	11.5 Å²	11.5	8%	0.075	6%	0.061	C	C	.	.			trans	-64.4	162	155.5	-159	83.2	0	0	0	110.4	T464 L467 V707 K774 T796	D462-T464 PolarHBondContact OD2-N 2.71Å; D462-L467 WeakPolarHBondContact O-CG 3.22Å; D462-V707 WeakPolarHBondContact CA-O 3.31Å; D462-K774 IonicContact OD1-NZ 3.4Å; D462-K774 PolarHBondContact OD1-NZ 3.45Å; D462-T796 PolarHBondContact N-O 3.06Å; D462-T796 VanDerWaalsContact N-O 3.07Å
463	K	88.1	Confident	87.7	Confident	12 Å²	12	12.2 Å²	12.2	5%	0.052	7%	0.066	C	C	.	.	S	Bend	trans	-86.2	-51.9	175.4	-175.3	-119.3	61.1	-173.8	0	110.7	L467 T468 D684 M706 T708 D710 I718	K463-L467 PolarHBondContact O-N 3.21Å; K463-T468 HydrophobicContact CD-CG2 3.98Å; K463-T468 HydrophobicContact CG-CG2 4.05Å; K463-T468 PolarHBondContact O-N 3.06Å; K463-T468 PolarHBondContact O-OG1 3.42Å; K463-D684 IonicContact NZ-OD2 2.79Å; K463-D684 PolarHBondContact NZ-OD2 3.27Å; K463-M706 HydrophobicContact CB-CE 4.4Å; K463-M706 HydrophobicContact CB-CG 4.13Å; K463-M706 HydrophobicContact CB-SD 3.89Å; K463-M706 HydrophobicContact CG-CE 4.11Å; K463-M706 HydrophobicContact CG-SD 4Å; K463-T708 HydrophobicContact CB-CG2 4.26Å; K463-D710 WeakPolarHBondContact CD-OD2 3.33Å; K463-D710 WeakPolarHBondContact CE-OD2 3.48Å; K463-D710 IonicContact NZ-OD2 3.1Å; K463-D710 PolarHBondContact NZ-OD2 3.03Å; K463-I718 HydrophobicContact CD-CG1 4.26Å; K463-I718 HydrophobicContact CD-CG2 4.28Å; K463-I718 HydrophobicContact CG-CB 4.32Å; K463-I718 HydrophobicContact CG-CG2 3.74Å
464	T	80	Confident	87.8	Confident	35 Å²	35	12.8 Å²	12.8	22%	0.215	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	143.5	-176.4	-53.5	0	0	0	0	109.6	D462 T466 T468 N470	D462-T464 PolarHBondContact OD2-N 2.71Å; T464-T466 PolarHBondContact O-N 2.87Å; T464-T468 WeakPolarHBondContact CA-OG1 3.47Å; T464-N470 HydrophobicContact CG2-CB 4.42Å; T464-N470 WeakPolarHBondContact CG2-OD1 3.27Å
465	G	76.6	Confident	87.9	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	-43.6	-176.4	0	0	0	0	0	113.9	T468 R687 D798	G465-T468 CarbonylContact C-O 3.53Å; G465-R687 PolarHBondContact O-NE 3.28Å; G465-R687 PolarHBondContact O-NH2 3.48Å; G465-D798 VanDerWaalsContact CA-OD2 3.28Å; G465-D798 WeakPolarHBondContact CA-OD2 3.45Å
466	T	83.9	Confident	88.1	Confident	1 Å²	1	15 Å²	15	1%	0.006	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-60.9	-165.1	-56.3	0	0	0	0	112.7	S461 T464 R687 M815 F836	S461-T466 VanDerWaalsContact OG-CG2 3.24Å; S461-T466 WeakPolarHBondContact OG-CG2 3.45Å; T464-T466 PolarHBondContact O-N 2.87Å; T466-R687 WeakPolarHBondContact O-CD 3.42Å; T466-R687 PolarHBondContact O-NE 2.75Å; T466-M815 HydrophobicContact CG2-CE 3.83Å; T466-M815 HydrophobicContact CG2-SD 4.43Å; T466-F836 HydrophobicContact CG2-CD2 4.09Å; T466-F836 HydrophobicContact CG2-CE2 4.35Å
467	L	89.2	Confident	88.3	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-29.6	179.9	-63	174.5	0	0	0	111.7	D462 K463 R687 V690 I694 M706 I724 F836	D462-L467 WeakPolarHBondContact O-CG 3.22Å; K463-L467 PolarHBondContact O-N 3.21Å; L467-R687 PolarHBondContact O-N 3.47Å; L467-V690 HydrophobicContact CB-CG1 4.48Å; L467-V690 HydrophobicContact CD2-CG1 3.74Å; L467-V690 HydrophobicContact CD2-CG2 4.38Å; L467-I694 HydrophobicContact CD2-CD1 4.1Å; L467-M706 HydrophobicContact CD1-CE 3.96Å; L467-M706 HydrophobicContact CD1-CG 4.39Å; L467-I724 HydrophobicContact CD1-CD1 3.98Å; L467-F836 HydrophobicContact CD2-CD2 3.64Å; L467-F836 HydrophobicContact CD2-CE2 3.53Å; L467-F836 HydrophobicContact CD2-CG 4.34Å; L467-F836 HydrophobicContact CD2-CZ 4.14Å
468	T	87.3	Confident	88.3	Confident	0 Å²	0	15 Å²	15	0%	0	8%	0.082	C	C	.	.	B	Isolated β-bridge	trans	-103.5	165.1	174.8	61.3	0	0	0	0	111.5	K463 T464 G465 N470 D684 P685 R687 I718	K463-T468 HydrophobicContact CD-CG2 3.98Å; K463-T468 HydrophobicContact CG-CG2 4.05Å; K463-T468 PolarHBondContact O-N 3.06Å; K463-T468 PolarHBondContact O-OG1 3.42Å; T464-T468 WeakPolarHBondContact CA-OG1 3.47Å; G465-T468 CarbonylContact C-O 3.53Å; T468-N470 PolarHBondContact O-N 3.42Å; T468-D684 VanDerWaalsContact CB-CG 3.41Å; T468-D684 WeakPolarHBondContact CB-OD1 3.46Å; T468-D684 VanDerWaalsContact CB-OD2 3.23Å; T468-D684 WeakPolarHBondContact CB-OD2 3.45Å; T468-D684 VanDerWaalsContact CG2-O 3.22Å; T468-D684 WeakPolarHBondContact CG2-O 3.4Å; T468-D684 PolarHBondContact OG1-OD1 3.36Å; T468-D684 PolarHBondContact OG1-OD2 2.94Å; T468-P685 CarbonylContact C-O 3.55Å; T468-P685 VanDerWaalsContact CA-O 3.25Å; T468-P685 WeakPolarHBondContact CA-O 3.42Å; T468-P685 WeakPolarHBondContact CB-O 3.42Å; T468-R687 PolarHBondContact O-NE 2.76Å; T468-R687 VanDerWaalsContact O-NE 3.08Å; T468-I718 HydrophobicContact CG2-CG2 4.27Å
469	T	81.6	Confident	88.2	Confident	34 Å²	34	15.2 Å²	15.2	21%	0.209	8%	0.083	C	C	.	.			trans	-73.3	-6.8	179.1	58.4	0	0	0	0	114.1	R471 P685 R687	T469-R471 PolarHBondContact O-N 2.92Å; T469-P685 PolarHBondContact N-O 3.38Å; T469-P685 WeakPolarHBondContact OG1-CD 3.45Å; T469-P685 WeakPolarHBondContact OG1-CG 3.45Å; T469-P685 PolarHBondContact OG1-O 3.16Å; T469-R687 HydrophobicContact CG2-CG 4Å
470	N	77.8	Confident	87.7	Confident	33 Å²	33	15.4 Å²	15.4	18%	0.176	9%	0.085	C	C	.	.	S	Bend	trans	54.8	37.5	-173.6	-154.7	-15.4	0	0	0	111.9	T464 T468 K531 D684 D798	T464-N470 HydrophobicContact CG2-CB 4.42Å; T464-N470 WeakPolarHBondContact CG2-OD1 3.27Å; T468-N470 PolarHBondContact O-N 3.42Å; N470-K531 WeakPolarHBondContact O-CD 3.49Å; N470-K531 PolarHBondContact O-NZ 3.04Å; N470-K531 PolarHBondContact OD1-NZ 3.41Å; N470-D684 WeakPolarHBondContact CA-OD1 3.39Å; N470-D684 PolarHBondContact N-OD1 3.02Å; N470-D798 PolarHBondContact ND2-OD2 3.46Å
471	R	79.7	Confident	87.2	Confident	45 Å²	45	19.1 Å²	19.1	17%	0.17	10%	0.104	C	C	.	.			trans	-141.1	97.9	-171.6	-176.5	-172.5	-175.4	-102.1	-2.6	108.6	T469 T473 P525 Q527 D684 P685	T469-R471 PolarHBondContact O-N 2.92Å; R471-T473 PolarHBondContact O-N 3.09Å; R471-P525 PolarHBondContact NE-O 2.87Å; R471-P525 PolarHBondContact NH2-O 3.32Å; R471-Q527 VanDerWaalsContact CG-CD 3.49Å; R471-Q527 HydrophobicContact CG-CG 3.93Å; R471-D684 PolarHBondContact N-OD1 3.22Å; R471-P685 WeakPolarHBondContact O-CD 3.36Å
472	M	86	Confident	86.9	Confident	31 Å²	31	23.7 Å²	23.7	15%	0.153	12%	0.124	C	C	.	.			trans	-63.2	131.7	-178.8	-65.8	-63.3	-57.5	0	0	110.2	Q527 K531 A535 I682 E683 D684	M472-Q527 PolarHBondContact O-NE2 3.43Å; M472-K531 HydrophobicContact CB-CB 4.3Å; M472-K531 WeakPolarHBondContact CB-O 3.36Å; M472-K531 HydrophobicContact CG-CB 3.97Å; M472-A535 HydrophobicContact CB-CB 3.74Å; M472-A535 WeakPolarHBondContact O-CA 3.28Å; M472-A535 VanDerWaalsContact O-CB 3.25Å; M472-A535 WeakPolarHBondContact O-CB 3.43Å; M472-I682 HydrophobicContact CE-CB 4.01Å; M472-I682 HydrophobicContact CE-CD1 3.6Å; M472-I682 HydrophobicContact CE-CG1 3.52Å; M472-E683 CarbonylContact C-O 3.42Å; M472-E683 WeakPolarHBondContact CA-O 3.43Å; M472-D684 HydrophobicContact SD-CB 3.76Å
473	T	89.7	Confident	87	Confident	28 Å²	28	25.8 Å²	25.8	17%	0.172	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	140.5	178.4	50.2	0	0	0	0	110.2	R471 I682 E683 P685	R471-T473 PolarHBondContact O-N 3.09Å; T473-I682 CarbonylContact O-C 3.52Å; T473-I682 VanDerWaalsContact O-CA 3.25Å; T473-I682 WeakPolarHBondContact O-CA 3.21Å; T473-E683 PolarHBondContact N-O 2.95Å; T473-E683 PolarHBondContact O-N 3.32Å; T473-E683 PolarHBondContact OG1-O 3.44Å; T473-P685 HydrophobicContact CG2-CG 4.49Å
474	A	92.5	Very high	87.1	Confident	11 Å²	11	26.3 Å²	26.3	9%	0.091	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	142.1	163.7	0	0	0	0	0	110.5	I487 F539 I680 I682	A474-I487 HydrophobicContact CB-CD1 4Å; A474-I487 HydrophobicContact CB-CG1 4.44Å; A474-I487 WeakPolarHBondContact O-CD1 3.34Å; A474-F539 HydrophobicContact CB-CB 3.8Å; A474-F539 HydrophobicContact CB-CD2 3.69Å; A474-F539 HydrophobicContact CB-CG 4.16Å; A474-I680 HydrophobicContact CB-CG2 3.71Å; A474-I682 HydrophobicContact CB-CG2 4.09Å
475	V	91.3	Very high	87.6	Confident	44 Å²	44	30.9 Å²	30.9	27%	0.267	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	-37.3	177.6	178.1	0	0	0	0	110.7	R486 G681 E683	V475-R486 CarbonylContact O-C 3.44Å; V475-R486 WeakPolarHBondContact O-CA 3.15Å; V475-G681 PolarHBondContact N-O 2.91Å; V475-E683 HydrophobicContact CG2-CG 3.74Å
476	Q	94.1	Very high	88.2	Confident	9 Å²	9	38.5 Å²	38.5	4%	0.042	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	156	179	-53.9	-168.6	6.5	0	0	111.2	H483 Y484 M629 E632 L634 G681	Q476-H483 PolarHBondContact OE1-NE2 3.26Å; Q476-Y484 VanDerWaalsContact CA-O 3.29Å; Q476-Y484 WeakPolarHBondContact CA-O 3.43Å; Q476-Y484 WeakPolarHBondContact CB-O 3.39Å; Q476-M629 HydrophobicContact CB-CE 3.98Å; Q476-E632 PolarHBondContact NE2-OE2 2.89Å; Q476-L634 HydrophobicContact CB-CD1 4.03Å; Q476-L634 HydrophobicContact CG-CD1 3.71Å; Q476-G681 PolarHBondContact N-O 2.98Å; Q476-G681 PolarHBondContact O-N 2.86Å
477	C	94.3	Very high	88.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	155.4	169.2	61	0	0	0	0	112.2	I479 Y484 P488 F539 I679 I680	C477-I479 HydrophobicContact CB-CD1 4.19Å; C477-I479 HydrophobicContact CB-CG1 4.31Å; C477-Y484 PolarHBondContact N-O 2.95Å; C477-Y484 VanDerWaalsContact N-O 3.09Å; C477-Y484 PolarHBondContact O-N 3.3Å; C477-P488 VanDerWaalsContact SG-CD 3.51Å; C477-F539 HydrophobicContact CB-CE2 3.89Å; C477-F539 HydrophobicContact CB-CZ 3.98Å; C477-I679 CarbonylContact C-O 3.56Å; C477-I679 VanDerWaalsContact CA-O 3.24Å; C477-I679 WeakPolarHBondContact CA-O 3.43Å; C477-I680 HydrophobicContact CB-CG1 4.32Å
478	F	93.3	Very high	88.4	Confident	15 Å²	15	40.4 Å²	40.4	7%	0.066	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	112.7	168.2	177.6	-90.6	0	0	0	108.1	N481 K482 H483 M603 L621 V625 M629 G678 I679	F478-N481 VanDerWaalsContact CE2-C 3.41Å; F478-N481 WeakPolarHBondContact CE2-O 3.21Å; F478-N481 VanDerWaalsContact CZ-CA 3.48Å; F478-K482 WeakPolarHBondContact CA-O 3.26Å; F478-H483 HydrophobicContact CD2-CB 4.13Å; F478-M603 HydrophobicContact CE1-CE 4.29Å; F478-M603 HydrophobicContact CE1-SD 4.42Å; F478-L621 HydrophobicContact CD1-CD1 3.82Å; F478-L621 HydrophobicContact CD2-CD1 4.41Å; F478-L621 HydrophobicContact CE1-CD1 3.42Å; F478-L621 VanDerWaalsContact CE1-CD1 3.42Å; F478-L621 HydrophobicContact CE2-CD1 4.06Å; F478-L621 HydrophobicContact CG-CD1 4.29Å; F478-L621 HydrophobicContact CZ-CD1 3.53Å; F478-V625 HydrophobicContact CB-CG1 3.84Å; F478-V625 HydrophobicContact CD2-CG1 4.09Å; F478-V625 HydrophobicContact CD2-CG2 3.82Å; F478-V625 HydrophobicContact CE2-CG2 3.98Å; F478-V625 HydrophobicContact CG-CG1 4.1Å; F478-V625 HydrophobicContact CG-CG2 4.48Å; F478-M629 HydrophobicContact CB-CE 4.46Å; F478-G678 CarbonylContact O-C 3.58Å; F478-G678 WeakPolarHBondContact O-CA 3.49Å; F478-I679 HydrophobicContact CB-CB 4.4Å; F478-I679 PolarHBondContact N-O 3.37Å; F478-I679 PolarHBondContact O-N 2.92Å
479	I	91.3	Very high	88.3	Confident	4 Å²	4	43.9 Å²	43.9	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	137.6	-175.8	-61.9	175	0	0	0	107.2	C477 N481 K482 L493 I497 I501 F539	C477-I479 HydrophobicContact CB-CD1 4.19Å; C477-I479 HydrophobicContact CB-CG1 4.31Å; I479-N481 PolarHBondContact O-N 2.89Å; I479-K482 PolarHBondContact N-O 2.94Å; I479-K482 VanDerWaalsContact N-O 3.14Å; I479-K482 PolarHBondContact O-N 3.12Å; I479-L493 HydrophobicContact CB-CD2 4.1Å; I479-L493 HydrophobicContact CD1-CD1 3.98Å; I479-L493 HydrophobicContact CG2-CD2 3.97Å; I479-I497 HydrophobicContact CG2-CG2 3.82Å; I479-I501 HydrophobicContact CD1-CD1 3.7Å; I479-I501 HydrophobicContact CG1-CD1 3.95Å; I479-I501 HydrophobicContact CG2-CD1 3.89Å; I479-F539 HydrophobicContact CD1-CE1 4.29Å; I479-F539 HydrophobicContact CD1-CZ 3.77Å
480	G	86.1	Confident	88.3	Confident	4 Å²	4	43.5 Å²	43.5	4%	0.041	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	52.9	-179.1	0	0	0	0	0	111.9	K482 E606	G480-K482 PolarHBondContact O-N 3.47Å; G480-E606 WeakPolarHBondContact O-CG 3.28Å
481	N	84.9	Confident	88.5	Confident	81 Å²	81	47.1 Å²	47.1	43%	0.433	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	9.9	179.7	-161.7	62.8	0	0	0	116.6	F478 I479 R611	F478-N481 VanDerWaalsContact CE2-C 3.41Å; F478-N481 WeakPolarHBondContact CE2-O 3.21Å; F478-N481 VanDerWaalsContact CZ-CA 3.48Å; I479-N481 PolarHBondContact O-N 2.89Å; N481-R611 PolarHBondContact OD1-NH2 3.37Å
482	K	88.6	Confident	88.6	Confident	96 Å²	96	48.2 Å²	48.2	42%	0.417	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	133.1	-172.3	-179.8	172.3	161	-155.4	0	112.4	F478 I479 G480 Y484	F478-K482 WeakPolarHBondContact CA-O 3.26Å; I479-K482 PolarHBondContact N-O 2.94Å; I479-K482 VanDerWaalsContact N-O 3.14Å; I479-K482 PolarHBondContact O-N 3.12Å; G480-K482 PolarHBondContact O-N 3.47Å; K482-Y484 HydrophobicContact CB-CE2 3.95Å; K482-Y484 HydrophobicContact CD-CE1 4.36Å; K482-Y484 HydrophobicContact CD-CE2 4.06Å; K482-Y484 WeakPolarHBondContact CD-OH 3.35Å; K482-Y484 WeakPolarHBondContact CE-OH 3.44Å; K482-Y484 HydrophobicContact CG-CD2 4.35Å; K482-Y484 HydrophobicContact CG-CE2 3.78Å; K482-Y484 PolarHBondContact NZ-OH 3.2Å; K482-Y484 WeakPolarHBondContact O-CD2 3.17Å
483	H	90.7	Very high	88.4	Confident	59 Å²	59	47.5 Å²	47.5	27%	0.273	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	117.6	179.5	-176.3	-172.2	0	0	0	111	Q476 F478 M629	Q476-H483 PolarHBondContact OE1-NE2 3.26Å; F478-H483 HydrophobicContact CD2-CB 4.13Å; H483-M629 VanDerWaalsContact CD2-CE 3.5Å; H483-M629 WeakPolarHBondContact CD2-CE 3.24Å; H483-M629 VanDerWaalsContact NE2-CE 3.31Å; H483-M629 WeakPolarHBondContact NE2-CE 3.34Å
484	Y	91.3	Very high	88	Confident	22 Å²	22	47.9 Å²	47.9	9%	0.086	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118.7	175.5	-62.1	-99.1	0	0	0	109.8	Q476 C477 K482 R486 P488 E492 L493	Q476-Y484 VanDerWaalsContact CA-O 3.29Å; Q476-Y484 WeakPolarHBondContact CA-O 3.43Å; Q476-Y484 WeakPolarHBondContact CB-O 3.39Å; C477-Y484 PolarHBondContact N-O 2.95Å; C477-Y484 VanDerWaalsContact N-O 3.09Å; C477-Y484 PolarHBondContact O-N 3.3Å; K482-Y484 HydrophobicContact CB-CE2 3.95Å; K482-Y484 HydrophobicContact CD-CE1 4.36Å; K482-Y484 HydrophobicContact CD-CE2 4.06Å; K482-Y484 WeakPolarHBondContact CD-OH 3.35Å; K482-Y484 WeakPolarHBondContact CE-OH 3.44Å; K482-Y484 HydrophobicContact CG-CD2 4.35Å; K482-Y484 HydrophobicContact CG-CE2 3.78Å; K482-Y484 PolarHBondContact NZ-OH 3.2Å; K482-Y484 WeakPolarHBondContact O-CD2 3.17Å; Y484-R486 VanDerWaalsContact CB-O 3.31Å; Y484-R486 WeakPolarHBondContact CB-O 3.49Å; Y484-R486 PolarHBondContact O-N 2.86Å; Y484-P488 HydrophobicContact CD1-CB 3.84Å; Y484-P488 HydrophobicContact CD1-CG 4.13Å; Y484-P488 HydrophobicContact CE1-CB 3.99Å; Y484-P488 HydrophobicContact CE1-CG 4.44Å; Y484-P488 HydrophobicContact CG-CB 4.39Å; Y484-P488 HydrophobicContact CG-CG 4.18Å; Y484-E492 PolarHBondContact OH-O 2.88Å; Y484-L493 HydrophobicContact CE2-CD2 3.8Å
485	K	88.8	Confident	87.5	Confident	132 Å²	132	53 Å²	53	57%	0.574	27%	0.269	S	S	*	.	S	Bend	trans	-80.4	1.4	174.3	-68.4	-151	174.5	-155.1	0	114.5	E632	K485-E632 IonicContact NZ-OE1 3.62Å; K485-E632 PolarHBondContact NZ-OE1 3.49Å
486	R	90.2	Very high	86.9	Confident	160 Å²	160	53.4 Å²	53.4	60%	0.604	27%	0.274	S	S	*	.	S	Bend	trans	-129.9	164.5	168.3	69.9	176.9	-169.4	-174.5	4.2	108.5	V475 Y484 P488 E492	V475-R486 CarbonylContact O-C 3.44Å; V475-R486 WeakPolarHBondContact O-CA 3.15Å; Y484-R486 VanDerWaalsContact CB-O 3.31Å; Y484-R486 WeakPolarHBondContact CB-O 3.49Å; Y484-R486 PolarHBondContact O-N 2.86Å; R486-P488 WeakPolarHBondContact O-CD 3.44Å; R486-E492 IonicContact CZ-OE1 2.75Å; R486-E492 IonicContact NH2-OE1 2.67Å; R486-E492 PolarHBondContact NH2-OE1 2.62Å; R486-E492 IonicContact NH2-OE2 3.29Å
487	I	88.5	Confident	86.5	Confident	40 Å²	40	53 Å²	53	21%	0.205	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-68	124.1	164.2	-57.6	179.1	0	0	0	108.4	A474 F539 I543	A474-I487 HydrophobicContact CB-CD1 4Å; A474-I487 HydrophobicContact CB-CG1 4.44Å; A474-I487 WeakPolarHBondContact O-CD1 3.34Å; I487-F539 HydrophobicContact CD1-CD2 4.13Å; I487-F539 HydrophobicContact CG1-CD2 4.13Å; I487-F539 HydrophobicContact CG1-CE2 4.46Å; I487-F539 HydrophobicContact CG2-CD2 4.01Å; I487-F539 HydrophobicContact CG2-CE2 4.02Å; I487-I543 HydrophobicContact CG2-CG1 4.09Å
488	P	88.2	Confident	86.2	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.006	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-75.6	152.1	172.2	31.3	-34.8	0	0	0	111.8	C477 Y484 R486 E492 L493 I543	C477-P488 VanDerWaalsContact SG-CD 3.51Å; Y484-P488 HydrophobicContact CD1-CB 3.84Å; Y484-P488 HydrophobicContact CD1-CG 4.13Å; Y484-P488 HydrophobicContact CE1-CB 3.99Å; Y484-P488 HydrophobicContact CE1-CG 4.44Å; Y484-P488 HydrophobicContact CG-CB 4.39Å; Y484-P488 HydrophobicContact CG-CG 4.18Å; R486-P488 WeakPolarHBondContact O-CD 3.44Å; P488-E492 HydrophobicContact CB-CB 3.89Å; P488-E492 WeakPolarHBondContact CB-OE2 3.28Å; P488-L493 HydrophobicContact CB-CD1 4.45Å; P488-L493 HydrophobicContact CB-CG 4.21Å; P488-L493 HydrophobicContact CG-CD1 3.65Å; P488-L493 HydrophobicContact CG-CD2 4.18Å; P488-L493 HydrophobicContact CG-CG 3.85Å; P488-I543 WeakPolarHBondContact O-CG1 3.34Å
489	T	85.8	Confident	86	Confident	73 Å²	73	56 Å²	56	45%	0.448	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-76	157.8	169.4	-52.2	0	0	0	0	110.5	S491 E492	T489-S491 PolarHBondContact O-N 3.22Å; T489-E492 WeakPolarHBondContact O-CB 3.45Å; T489-E492 PolarHBondContact O-N 3Å
490	A	80.9	Confident	86	Confident	25 Å²	25	57.4 Å²	57.4	21%	0.207	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-52.5	-28.3	179.2	0	0	0	0	0	114.9	E492 I498 I543	A490-E492 VanDerWaalsContact C-N 3.32Å; A490-E492 PolarHBondContact O-N 3.33Å; A490-I498 HydrophobicContact CB-CD1 4.15Å; A490-I498 WeakPolarHBondContact O-CD1 3.39Å; A490-I543 HydrophobicContact CB-CG2 3.77Å; A490-I543 WeakPolarHBondContact CB-O 3.25Å; A490-I543 PolarHBondContact N-O 2.85Å
491	S	81.8	Confident	86.3	Confident	110 Å²	110	57.4 Å²	57.4	77%	0.769	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-75.4	-12.2	176	47.5	0	0	0	0	115	T489	T489-S491 PolarHBondContact O-N 3.22Å
492	E	82.5	Confident	86.7	Confident	67 Å²	67	53.7 Å²	53.7	31%	0.313	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-92.4	-2.1	177.1	-65.3	-178.9	-165.4	0	0	113.1	Y484 R486 P488 T489 A490	Y484-E492 PolarHBondContact OH-O 2.88Å; R486-E492 IonicContact CZ-OE1 2.75Å; R486-E492 IonicContact NH2-OE1 2.67Å; R486-E492 PolarHBondContact NH2-OE1 2.62Å; R486-E492 IonicContact NH2-OE2 3.29Å; P488-E492 HydrophobicContact CB-CB 3.89Å; P488-E492 WeakPolarHBondContact CB-OE2 3.28Å; T489-E492 WeakPolarHBondContact O-CB 3.45Å; T489-E492 PolarHBondContact O-N 3Å; A490-E492 VanDerWaalsContact C-N 3.32Å; A490-E492 PolarHBondContact O-N 3.33Å
493	L	81.7	Confident	86.9	Confident	16 Å²	16	51.4 Å²	51.4	8%	0.084	27%	0.267	C	S	.	.	S	Bend	trans	-128.3	153.4	-173.5	-71.6	-179.6	0	0	0	112.2	I479 Y484 P488 E495 I498 I543	I479-L493 HydrophobicContact CB-CD2 4.1Å; I479-L493 HydrophobicContact CD1-CD1 3.98Å; I479-L493 HydrophobicContact CG2-CD2 3.97Å; Y484-L493 HydrophobicContact CE2-CD2 3.8Å; P488-L493 HydrophobicContact CB-CD1 4.45Å; P488-L493 HydrophobicContact CB-CG 4.21Å; P488-L493 HydrophobicContact CG-CD1 3.65Å; P488-L493 HydrophobicContact CG-CD2 4.18Å; P488-L493 HydrophobicContact CG-CG 3.85Å; L493-E495 PolarHBondContact O-N 3.41Å; L493-I498 HydrophobicContact CB-CD1 3.64Å; L493-I498 HydrophobicContact CB-CG1 3.6Å; L493-I498 HydrophobicContact CD1-CG1 4.21Å; L493-I543 HydrophobicContact CD1-CD1 4.34Å
494	P	80.9	Confident	87.1	Confident	37 Å²	37	48.7 Å²	48.7	24%	0.24	25%	0.254	C	S	.	.			trans	-68.1	121.5	176.2	-20.4	34.2	0	0	0	112	S496 I497 I498 E606	P494-S496 VanDerWaalsContact C-N 3.32Å; P494-S496 PolarHBondContact O-N 3.07Å; P494-I497 HydrophobicContact CB-CB 4.44Å; P494-I497 HydrophobicContact CB-CD1 3.94Å; P494-I497 HydrophobicContact CB-CG1 4.15Å; P494-I497 HydrophobicContact CG-CD1 3.95Å; P494-I497 PolarHBondContact O-N 3.4Å; P494-I498 WeakPolarHBondContact O-CG1 3.48Å; P494-I498 PolarHBondContact O-N 3.3Å; P494-E606 WeakPolarHBondContact CG-O 3.28Å
495	E	81.8	Confident	87.3	Confident	118 Å²	118	47.7 Å²	47.7	55%	0.551	25%	0.25	S	S	*	.	H	α-helix	trans	-58.5	-36.7	-168.3	-176.3	162.9	-139.8	0	0	114.4	L493 I498 N499 R545	L493-E495 PolarHBondContact O-N 3.41Å; E495-I498 PolarHBondContact O-N 3.45Å; E495-N499 WeakPolarHBondContact O-CB 3.48Å; E495-N499 PolarHBondContact O-N 2.73Å; E495-N499 PolarHBondContact O-ND2 3.47Å; E495-N499 PolarHBondContact O-OD1 3.35Å; E495-R545 IonicContact OE1-CZ 2.8Å; E495-R545 IonicContact OE1-NH1 2.81Å; E495-R545 IonicContact OE1-NH2 3.22Å; E495-R545 PolarHBondContact OE1-NH2 2.92Å
496	S	80.1	Confident	87.5	Confident	52 Å²	52	41.4 Å²	41.4	36%	0.364	22%	0.223	S	C	.	.	H	α-helix	trans	-63.3	-40	174.9	39.3	0	0	0	0	113.1	P494 N499 L500 N608	P494-S496 VanDerWaalsContact C-N 3.32Å; P494-S496 PolarHBondContact O-N 3.07Å; S496-N499 PolarHBondContact O-N 3.48Å; S496-L500 PolarHBondContact O-N 2.73Å; S496-L500 VanDerWaalsContact O-N 3.14Å; S496-N608 WeakPolarHBondContact CB-OD1 3.25Å; S496-N608 VanDerWaalsContact OG-CB 3.25Å; S496-N608 WeakPolarHBondContact OG-CB 3.37Å; S496-N608 PolarHBondContact OG-OD1 2.96Å
497	I	85.9	Confident	87.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-71.1	-40.5	176.3	-56.3	176.8	0	0	0	110.2	I479 P494 N499 L500 I501 M604 D605 N608	I479-I497 HydrophobicContact CG2-CG2 3.82Å; P494-I497 HydrophobicContact CB-CB 4.44Å; P494-I497 HydrophobicContact CB-CD1 3.94Å; P494-I497 HydrophobicContact CB-CG1 4.15Å; P494-I497 HydrophobicContact CG-CD1 3.95Å; P494-I497 PolarHBondContact O-N 3.4Å; I497-N499 VanDerWaalsContact C-N 3.32Å; I497-N499 PolarHBondContact O-N 2.81Å; I497-L500 PolarHBondContact O-N 2.65Å; I497-I501 HydrophobicContact CG2-CD1 3.82Å; I497-I501 HydrophobicContact CG2-CG1 4.39Å; I497-I501 WeakPolarHBondContact O-CB 3.43Å; I497-I501 WeakPolarHBondContact O-CG1 3.43Å; I497-I501 PolarHBondContact O-N 2.8Å; I497-M604 HydrophobicContact CD1-CB 4.23Å; I497-D605 WeakPolarHBondContact CD1-O 3.31Å; I497-N608 HydrophobicContact CD1-CB 4.4Å; I497-N608 HydrophobicContact CG1-CB 4.07Å; I497-N608 VanDerWaalsContact CG1-OD1 3.23Å; I497-N608 WeakPolarHBondContact CG1-OD1 3.39Å
498	I	87.9	Confident	87.8	Confident	4 Å²	4	32 Å²	32	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-56.4	-50	172.3	-59.1	170.5	0	0	0	109.7	A490 L493 P494 E495 L500 I501 V502 I543 R545	A490-I498 HydrophobicContact CB-CD1 4.15Å; A490-I498 WeakPolarHBondContact O-CD1 3.39Å; L493-I498 HydrophobicContact CB-CD1 3.64Å; L493-I498 HydrophobicContact CB-CG1 3.6Å; L493-I498 HydrophobicContact CD1-CG1 4.21Å; P494-I498 WeakPolarHBondContact O-CG1 3.48Å; P494-I498 PolarHBondContact O-N 3.3Å; E495-I498 PolarHBondContact O-N 3.45Å; I498-L500 VanDerWaalsContact C-N 3.32Å; I498-L500 PolarHBondContact O-N 3.08Å; I498-I501 PolarHBondContact O-N 2.85Å; I498-V502 HydrophobicContact CG2-CG2 3.67Å; I498-V502 VanDerWaalsContact O-CB 3.22Å; I498-V502 WeakPolarHBondContact O-CB 3.46Å; I498-V502 VanDerWaalsContact O-CG2 3.22Å; I498-V502 WeakPolarHBondContact O-CG2 3.24Å; I498-V502 PolarHBondContact O-N 3.29Å; I498-I543 HydrophobicContact CG2-CG2 4.15Å; I498-R545 HydrophobicContact CG2-CG 4.36Å
499	N	89.1	Confident	87.8	Confident	75 Å²	75	32 Å²	32	40%	0.401	19%	0.185	S	C	.	.	H	α-helix	trans	-62.3	-39.3	-175.5	-67.3	-13.9	0	0	0	111.5	E495 S496 I497 M503 R545	E495-N499 WeakPolarHBondContact O-CB 3.48Å; E495-N499 PolarHBondContact O-N 2.73Å; E495-N499 PolarHBondContact O-ND2 3.47Å; E495-N499 PolarHBondContact O-OD1 3.35Å; S496-N499 PolarHBondContact O-N 3.48Å; I497-N499 VanDerWaalsContact C-N 3.32Å; I497-N499 PolarHBondContact O-N 2.81Å; N499-M503 WeakPolarHBondContact O-CB 3.37Å; N499-M503 PolarHBondContact O-N 3.47Å; N499-R545 PolarHBondContact OD1-NH2 3.25Å; N499-R545 VanDerWaalsContact OD1-NH2 3.12Å
500	L	90.4	Very high	87.7	Confident	34 Å²	34	29.5 Å²	29.5	18%	0.178	17%	0.174	C	C	.	.	H	α-helix	trans	-65.3	-44.7	172.2	-73.7	172.4	0	0	0	113	S496 I497 I498 N504 Y641 L677	S496-L500 PolarHBondContact O-N 2.73Å; S496-L500 VanDerWaalsContact O-N 3.14Å; I497-L500 PolarHBondContact O-N 2.65Å; I498-L500 VanDerWaalsContact C-N 3.32Å; I498-L500 PolarHBondContact O-N 3.08Å; L500-N504 WeakPolarHBondContact O-CB 3.31Å; L500-N504 PolarHBondContact O-N 3.27Å; L500-Y641 HydrophobicContact CD1-CE1 4.2Å; L500-L677 HydrophobicContact CB-CD1 3.98Å; L500-L677 HydrophobicContact CB-CD2 4.06Å; L500-L677 HydrophobicContact CD1-CD2 4.08Å
501	I	92.4	Very high	87.8	Confident	3 Å²	3	29.8 Å²	29.8	2%	0.015	17%	0.17	C	C	.	.	H	α-helix	trans	-65.1	-44.8	178.4	-71.1	173.6	0	0	0	111.2	I479 I497 I498 N504 I505 F539 L677	I479-I501 HydrophobicContact CD1-CD1 3.7Å; I479-I501 HydrophobicContact CG1-CD1 3.95Å; I479-I501 HydrophobicContact CG2-CD1 3.89Å; I497-I501 HydrophobicContact CG2-CD1 3.82Å; I497-I501 HydrophobicContact CG2-CG1 4.39Å; I497-I501 WeakPolarHBondContact O-CB 3.43Å; I497-I501 WeakPolarHBondContact O-CG1 3.43Å; I497-I501 PolarHBondContact O-N 2.8Å; I498-I501 PolarHBondContact O-N 2.85Å; I501-N504 PolarHBondContact O-N 2.73Å; I501-I505 HydrophobicContact CG2-CD1 3.7Å; I501-I505 HydrophobicContact CG2-CG1 4.43Å; I501-I505 WeakPolarHBondContact O-CB 3.24Å; I501-I505 VanDerWaalsContact O-CG1 3.29Å; I501-I505 WeakPolarHBondContact O-CG1 3.15Å; I501-I505 PolarHBondContact O-N 3.17Å; I501-F539 HydrophobicContact CG2-CE1 4.23Å; I501-L677 HydrophobicContact CD1-CB 4.11Å; I501-L677 HydrophobicContact CG1-CB 3.67Å; I501-L677 HydrophobicContact CG1-CD1 4.01Å; I501-L677 HydrophobicContact CG1-CG 4.37Å
502	V	93.4	Very high	87.6	Confident	4 Å²	4	29.6 Å²	29.6	2%	0.024	16%	0.164	C	C	.	.	H	α-helix	trans	-67.3	-41.8	-179.1	167.6	0	0	0	0	110.6	I498 S506 V540 R545 I550	I498-V502 HydrophobicContact CG2-CG2 3.67Å; I498-V502 VanDerWaalsContact O-CB 3.22Å; I498-V502 WeakPolarHBondContact O-CB 3.46Å; I498-V502 VanDerWaalsContact O-CG2 3.22Å; I498-V502 WeakPolarHBondContact O-CG2 3.24Å; I498-V502 PolarHBondContact O-N 3.29Å; V502-S506 VanDerWaalsContact O-CB 3.26Å; V502-S506 WeakPolarHBondContact O-CB 3.34Å; V502-S506 PolarHBondContact O-N 3.12Å; V502-S506 PolarHBondContact O-OG 3.25Å; V502-V540 HydrophobicContact CB-CG1 4.48Å; V502-V540 HydrophobicContact CB-CG2 4.47Å; V502-V540 HydrophobicContact CG1-CG1 3.72Å; V502-V540 HydrophobicContact CG1-CG2 4.42Å; V502-V540 HydrophobicContact CG2-CG1 4.18Å; V502-V540 HydrophobicContact CG2-CG2 4.16Å; V502-R545 HydrophobicContact CG1-CB 4.14Å; V502-R545 HydrophobicContact CG2-CB 4.32Å; V502-R545 HydrophobicContact CG2-CG 4.3Å; V502-I550 HydrophobicContact CG1-CD1 3.51Å
503	M	93	Very high	87.6	Confident	48 Å²	48	26.5 Å²	26.5	24%	0.236	15%	0.15	C	C	.	.	H	α-helix	trans	-64.9	-46.5	173.6	-173.3	177.8	-83.1	0	0	111.5	N499 I505 S506 I507 I576 F588	N499-M503 WeakPolarHBondContact O-CB 3.37Å; N499-M503 PolarHBondContact O-N 3.47Å; M503-I505 PolarHBondContact O-N 3.14Å; M503-S506 PolarHBondContact O-N 3.23Å; M503-I507 HydrophobicContact CG-CD1 3.52Å; M503-I507 HydrophobicContact CG-CG1 4.25Å; M503-I507 WeakPolarHBondContact O-CB 3.44Å; M503-I507 WeakPolarHBondContact O-CG1 3.45Å; M503-I507 PolarHBondContact O-N 3.41Å; M503-I507 HydrophobicContact SD-CD1 4.25Å; M503-I576 HydrophobicContact SD-CD1 4.19Å; M503-F588 HydrophobicContact CB-CE2 4.43Å; M503-F588 HydrophobicContact CB-CZ 3.98Å; M503-F588 HydrophobicContact CG-CE2 3.69Å; M503-F588 HydrophobicContact CG-CZ 3.63Å; M503-F588 HydrophobicContact SD-CE2 4.03Å; M503-F588 HydrophobicContact SD-CZ 3.8Å
504	N	94.9	Very high	87.7	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-54.9	-55.2	175.4	-174.1	-35.1	0	0	0	111.2	L500 I501 S506 I507 N508 F588 T589 I639 A640	L500-N504 WeakPolarHBondContact O-CB 3.31Å; L500-N504 PolarHBondContact O-N 3.27Å; I501-N504 PolarHBondContact O-N 2.73Å; N504-S506 VanDerWaalsContact C-N 3.32Å; N504-S506 PolarHBondContact O-N 3.48Å; N504-I507 PolarHBondContact O-N 2.97Å; N504-N508 WeakPolarHBondContact O-CA 3.35Å; N504-N508 WeakPolarHBondContact O-CB 3.03Å; N504-N508 PolarHBondContact O-N 3.02Å; N504-F588 HydrophobicContact CB-CB 4.27Å; N504-F588 HydrophobicContact CB-CD1 3.43Å; N504-F588 VanDerWaalsContact CB-CD1 3.43Å; N504-F588 HydrophobicContact CB-CE1 3.76Å; N504-F588 HydrophobicContact CB-CG 3.86Å; N504-F588 HydrophobicContact CB-CZ 4.44Å; N504-F588 WeakPolarHBondContact ND2-CD1 3.26Å; N504-T589 PolarHBondContact ND2-O 3.37Å; N504-I639 HydrophobicContact CB-CG2 4.19Å; N504-I639 VanDerWaalsContact ND2-CG2 3.32Å; N504-I639 WeakPolarHBondContact ND2-CG2 3.44Å; N504-A640 PolarHBondContact ND2-O 3.5Å
505	I	95.1	Very high	87.9	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-59.3	-41.8	-179.2	-71.7	170.8	0	0	0	112.1	I501 M503 S509 L536 L537 F539 V540 I639 I680	I501-I505 HydrophobicContact CG2-CD1 3.7Å; I501-I505 HydrophobicContact CG2-CG1 4.43Å; I501-I505 WeakPolarHBondContact O-CB 3.24Å; I501-I505 VanDerWaalsContact O-CG1 3.29Å; I501-I505 WeakPolarHBondContact O-CG1 3.15Å; I501-I505 PolarHBondContact O-N 3.17Å; M503-I505 PolarHBondContact O-N 3.14Å; I505-S509 VanDerWaalsContact O-CB 3.26Å; I505-S509 WeakPolarHBondContact O-CB 3.48Å; I505-S509 PolarHBondContact O-OG 2.81Å; I505-L536 HydrophobicContact CD1-CB 4.25Å; I505-L536 HydrophobicContact CG1-CB 4.2Å; I505-L536 VanDerWaalsContact CG2-C 3.47Å; I505-L536 HydrophobicContact CG2-CB 3.59Å; I505-L536 WeakPolarHBondContact CG2-O 3.5Å; I505-L537 HydrophobicContact CG2-CD2 4.15Å; I505-F539 HydrophobicContact CD1-CD1 3.95Å; I505-F539 HydrophobicContact CD1-CE1 4.49Å; I505-V540 HydrophobicContact CB-CG2 3.89Å; I505-V540 HydrophobicContact CD1-CG2 3.99Å; I505-V540 HydrophobicContact CG2-CG2 3.58Å; I505-I639 HydrophobicContact CD1-CD1 3.77Å; I505-I639 HydrophobicContact CG1-CD1 3.76Å; I505-I680 HydrophobicContact CD1-CD1 4Å
506	S	93.9	Very high	87.9	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-71.9	-41.7	-175.3	-55.6	0	0	0	0	112.4	V502 M503 N504 Y547 R551	V502-S506 VanDerWaalsContact O-CB 3.26Å; V502-S506 WeakPolarHBondContact O-CB 3.34Å; V502-S506 PolarHBondContact O-N 3.12Å; V502-S506 PolarHBondContact O-OG 3.25Å; M503-S506 PolarHBondContact O-N 3.23Å; N504-S506 VanDerWaalsContact C-N 3.32Å; N504-S506 PolarHBondContact O-N 3.48Å; S506-Y547 VanDerWaalsContact OG-CB 3.29Å; S506-Y547 WeakPolarHBondContact OG-CB 3.27Å; S506-R551 PolarHBondContact O-NE 2.81Å
507	I	92.4	Very high	87.9	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-86.3	-50.6	-175.9	-65.1	-177.5	0	0	0	111.1	M503 N504 S509 I550 W554 L559 T574 I576 F588	M503-I507 HydrophobicContact CG-CD1 3.52Å; M503-I507 HydrophobicContact CG-CG1 4.25Å; M503-I507 WeakPolarHBondContact O-CB 3.44Å; M503-I507 WeakPolarHBondContact O-CG1 3.45Å; M503-I507 PolarHBondContact O-N 3.41Å; M503-I507 HydrophobicContact SD-CD1 4.25Å; N504-I507 PolarHBondContact O-N 2.97Å; I507-S509 PolarHBondContact O-N 3.23Å; I507-I550 HydrophobicContact CD1-CG2 4.27Å; I507-I550 HydrophobicContact CG1-CG2 4.06Å; I507-W554 HydrophobicContact CD1-CB 3.88Å; I507-W554 HydrophobicContact CD1-CD2 4Å; I507-W554 HydrophobicContact CD1-CG 3.57Å; I507-W554 HydrophobicContact CG1-CB 4.18Å; I507-W554 HydrophobicContact CG1-CG 4.38Å; I507-L559 HydrophobicContact CG2-CD2 3.66Å; I507-T574 HydrophobicContact CG2-CG2 3.94Å; I507-I576 HydrophobicContact CD1-CD1 3.92Å; I507-I576 HydrophobicContact CD1-CG2 4.5Å; I507-I576 HydrophobicContact CG2-CG2 3.73Å; I507-F588 HydrophobicContact CD1-CE2 4.4Å
508	N	91.3	Very high	87.4	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-79.4	43.6	179.7	-170.5	30.8	0	0	0	111.6	N504 M572 S573 T574 F588 K590	N504-N508 WeakPolarHBondContact O-CA 3.35Å; N504-N508 WeakPolarHBondContact O-CB 3.03Å; N504-N508 PolarHBondContact O-N 3.02Å; N508-M572 PolarHBondContact ND2-O 2.86Å; N508-S573 WeakPolarHBondContact OD1-CA 3.38Å; N508-T574 WeakPolarHBondContact OD1-CB 3.24Å; N508-T574 PolarHBondContact OD1-N 3.21Å; N508-T574 PolarHBondContact OD1-OG1 3.43Å; N508-F588 HydrophobicContact CB-CB 3.87Å; N508-F588 PolarHBondContact ND2-O 2.83Å; N508-K590 PolarHBondContact ND2-N 3.36Å; N508-K590 VanDerWaalsContact O-CD 3.29Å; N508-K590 WeakPolarHBondContact O-CD 3.21Å; N508-K590 WeakPolarHBondContact O-CE 3.39Å; N508-K590 PolarHBondContact O-NZ 3.32Å
509	S	89.2	Confident	86.6	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.021	21%	0.207	C	C	.	.	S	Bend	trans	-143.8	142.1	172.2	-64.7	0	0	0	0	110.1	I505 I507 Y511 E533 R551 K590	I505-S509 VanDerWaalsContact O-CB 3.26Å; I505-S509 WeakPolarHBondContact O-CB 3.48Å; I505-S509 PolarHBondContact O-OG 2.81Å; I507-S509 PolarHBondContact O-N 3.23Å; S509-Y511 WeakPolarHBondContact O-CD2 3.46Å; S509-Y511 PolarHBondContact O-N 2.95Å; S509-E533 VanDerWaalsContact CA-OE1 3.26Å; S509-E533 WeakPolarHBondContact CA-OE1 3.31Å; S509-R551 PolarHBondContact O-NH2 2.67Å; S509-K590 PolarHBondContact OG-NZ 2.75Å
510	G	82.7	Confident	85.8	Confident	20 Å²	20	39 Å²	39	21%	0.206	22%	0.216	C	C	.	.			trans	-53.5	134.5	-176.6	0	0	0	0	0	112.8	T512 S513 E533 R551	G510-T512 PolarHBondContact O-N 3.49Å; G510-S513 WeakPolarHBondContact O-CA 3.31Å; G510-S513 VanDerWaalsContact O-CB 3.3Å; G510-S513 WeakPolarHBondContact O-CB 3.32Å; G510-S513 PolarHBondContact O-N 3.02Å; G510-E533 PolarHBondContact N-OE1 2.99Å; G510-E533 PolarHBondContact N-OE2 2.93Å; G510-R551 PolarHBondContact O-NH2 3.02Å
511	Y	83.9	Confident	84.5	Confident	30 Å²	30	43.2 Å²	43.2	12%	0.118	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-14.5	-176.1	-81.5	-124	0	0	0	112.1	S509 S513 K514 R551 W554 E556 L559	S509-Y511 WeakPolarHBondContact O-CD2 3.46Å; S509-Y511 PolarHBondContact O-N 2.95Å; Y511-S513 VanDerWaalsContact C-N 3.34Å; Y511-K514 WeakPolarHBondContact O-CE 3.32Å; Y511-R551 HydrophobicContact CD1-CG 4.45Å; Y511-R551 HydrophobicContact CE1-CB 3.84Å; Y511-R551 HydrophobicContact CE1-CG 3.8Å; Y511-W554 WeakPolarHBondContact CE1-O 3.4Å; Y511-W554 PolarHBondContact OH-O 3.36Å; Y511-E556 HydrophobicContact CD1-CB 4.18Å; Y511-E556 HydrophobicContact CE1-CB 4.48Å; Y511-E556 HydrophobicContact CG-CB 4.27Å; Y511-L559 HydrophobicContact CE2-CD1 4.2Å
512	T	77.8	Confident	83.2	Confident	107 Å²	107	51.2 Å²	51.2	66%	0.656	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-23.9	164.2	51.8	0	0	0	0	113.5	G510	G510-T512 PolarHBondContact O-N 3.49Å
513	S	82.1	Confident	81.8	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.007	31%	0.307	C	S	.	.			trans	-81.3	115.7	177.1	-63.9	0	0	0	0	110.8	G510 Y511 V528 N530 E533 L537 R551	G510-S513 WeakPolarHBondContact O-CA 3.31Å; G510-S513 VanDerWaalsContact O-CB 3.3Å; G510-S513 WeakPolarHBondContact O-CB 3.32Å; G510-S513 PolarHBondContact O-N 3.02Å; Y511-S513 VanDerWaalsContact C-N 3.34Å; S513-V528 CarbonylContact C-O 3.47Å; S513-V528 WeakPolarHBondContact CA-O 3.36Å; S513-N530 PolarHBondContact OG-N 2.83Å; S513-E533 VanDerWaalsContact CB-OE2 3.26Å; S513-E533 WeakPolarHBondContact CB-OE2 3.27Å; S513-E533 PolarHBondContact OG-OE2 3.43Å; S513-L537 VanDerWaalsContact O-CD1 3.29Å; S513-L537 WeakPolarHBondContact O-CD1 3.25Å; S513-R551 PolarHBondContact O-NH1 2.75Å
514	K	83.2	Confident	80.7	Confident	101 Å²	101	56.1 Å²	56.1	44%	0.439	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	154.3	-172.4	-60.5	-171.8	-175.2	-175.5	0	112.6	Y511 V528	Y511-K514 WeakPolarHBondContact O-CE 3.32Å; K514-V528 PolarHBondContact N-O 3.48Å; K514-V528 PolarHBondContact O-N 2.88Å
515	L	85.4	Confident	79.8	Confident	12 Å²	12	58.4 Å²	58.4	6%	0.063	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	94	171	-69.4	177.3	0	0	0	110.5	Q527 C534 L537 G538 Y547	L515-Q527 HydrophobicContact CD2-CG 3.74Å; L515-C534 HydrophobicContact CD2-CB 4.06Å; L515-L537 HydrophobicContact CD1-CB 4.18Å; L515-L537 HydrophobicContact CG-CB 4.45Å; L515-G538 VanDerWaalsContact CD1-CA 3.47Å; L515-Y547 HydrophobicContact CB-CE1 4.32Å; L515-Y547 WeakPolarHBondContact CB-OH 3.5Å; L515-Y547 HydrophobicContact CD1-CE1 4.2Å; L515-Y547 HydrophobicContact CG-CE1 4.48Å; L515-Y547 PolarHBondContact N-OH 3.34Å
516	L	81.6	Confident	78.9	Confident	78 Å²	78	63 Å²	63	41%	0.408	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	148.4	174.2	-62.2	-177.9	0	0	0	110.6	P525 K526 V528	L516-P525 CarbonylContact O-C 3.48Å; L516-P525 WeakPolarHBondContact O-CA 3.13Å; L516-P525 WeakPolarHBondContact O-CB 3.44Å; L516-K526 HydrophobicContact CB-CB 4.24Å; L516-K526 PolarHBondContact N-O 3.47Å; L516-K526 PolarHBondContact O-N 3.18Å; L516-V528 HydrophobicContact CD1-CG2 3.63Å; L516-V528 HydrophobicContact CG-CG2 4Å
517	P	79.7	Confident	78.3	Confident	100 Å²	100	64.8 Å²	64.8	65%	0.649	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-57.8	152.2	170.2	26.4	-34.5	0	0	0	110.7
518	P	77.4	Confident	77.4	Confident	38 Å²	38	67.8 Å²	67.8	25%	0.247	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-71.6	147.4	177.6	32.3	-36.2	0	0	0	111.2	N520 A523	P518-N520 WeakPolarHBondContact CB-O 3.41Å; P518-N520 WeakPolarHBondContact CG-O 3.33Å; P518-N520 PolarHBondContact O-N 2.98Å; P518-A523 HydrophobicContact CB-CB 3.98Å; P518-A523 WeakPolarHBondContact CB-O 3.35Å; P518-A523 WeakPolarHBondContact CG-O 3.42Å
519	D	70.6	Confident	76.6	Confident	123 Å²	123	70 Å²	70	66%	0.658	41%	0.406	S	S	*	.	S	Bend	trans	-67.1	-14.9	178.6	-49.6	-71	0	0	0	112.6	K526	D519-K526 IonicContact OD1-NZ 2.68Å; D519-K526 PolarHBondContact OD1-NZ 2.94Å; D519-K526 VanDerWaalsContact OD1-NZ 3.15Å; D519-K526 IonicContact OD2-NZ 3.83Å; D519-K526 PolarHBondContact OD2-NZ 3.38Å
520	N	71.8	Confident	76.1	Confident	112 Å²	112	73.7 Å²	73.7	60%	0.599	43%	0.426	S	S	*	.	S	Bend	trans	-133.1	142.5	172.7	-80	-66.6	0	0	0	110.2	P518 N522 A523	P518-N520 WeakPolarHBondContact CB-O 3.41Å; P518-N520 WeakPolarHBondContact CG-O 3.33Å; P518-N520 PolarHBondContact O-N 2.98Å; N520-N522 PolarHBondContact O-N 2.91Å; N520-N522 VanDerWaalsContact O-N 3.09Å; N520-A523 HydrophobicContact CB-CB 4.18Å; N520-A523 PolarHBondContact O-N 3.45Å
521	P	63.8	Low	76	Confident	124 Å²	124	76.5 Å²	76.5	81%	0.805	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-31	-175.6	-28	35.4	0	0	0	115.8
522	N	63.3	Low	76.1	Confident	170 Å²	170	76.4 Å²	76.4	91%	0.909	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-0.4	-179.6	-66.4	-4.6	0	0	0	113.7	N520	N520-N522 PolarHBondContact O-N 2.91Å; N520-N522 VanDerWaalsContact O-N 3.09Å
523	A	65	Low	76.6	Confident	49 Å²	49	71.8 Å²	71.8	41%	0.405	41%	0.406	S	S	.	.	S	Bend	trans	-93	162.6	-179.4	0	0	0	0	0	112.1	P518 N520	P518-A523 HydrophobicContact CB-CB 3.98Å; P518-A523 WeakPolarHBondContact CB-O 3.35Å; P518-A523 WeakPolarHBondContact CG-O 3.42Å; N520-A523 HydrophobicContact CB-CB 4.18Å; N520-A523 PolarHBondContact O-N 3.45Å
524	L	69	Low	77	Confident	107 Å²	107	71.8 Å²	71.8	56%	0.56	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-80	139.3	-176.6	-66	173.1	0	0	0	111.9	K526	L524-K526 PolarHBondContact O-N 2.72Å
525	P	76.9	Confident	77.4	Confident	48 Å²	48	67 Å²	67	31%	0.312	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-55.2	133.3	179	-26.9	32	0	0	0	113.7	R471 L516	R471-P525 PolarHBondContact NE-O 2.87Å; R471-P525 PolarHBondContact NH2-O 3.32Å; L516-P525 CarbonylContact O-C 3.48Å; L516-P525 WeakPolarHBondContact O-CA 3.13Å; L516-P525 WeakPolarHBondContact O-CB 3.44Å
526	K	77	Confident	77.8	Confident	98 Å²	98	66.5 Å²	66.5	43%	0.426	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	122.2	-166.4	-169.6	174	-167.3	162.4	0	110.2	L516 D519 L524	L516-K526 HydrophobicContact CB-CB 4.24Å; L516-K526 PolarHBondContact N-O 3.47Å; L516-K526 PolarHBondContact O-N 3.18Å; D519-K526 IonicContact OD1-NZ 2.68Å; D519-K526 PolarHBondContact OD1-NZ 2.94Å; D519-K526 VanDerWaalsContact OD1-NZ 3.15Å; D519-K526 IonicContact OD2-NZ 3.83Å; D519-K526 PolarHBondContact OD2-NZ 3.38Å; L524-K526 PolarHBondContact O-N 2.72Å
527	Q	79.3	Confident	78.4	Confident	37 Å²	37	62.8 Å²	62.8	17%	0.173	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	124.6	-178.8	-64.9	-169.6	-28.4	0	0	110.3	R471 M472 L515 C534	R471-Q527 VanDerWaalsContact CG-CD 3.49Å; R471-Q527 HydrophobicContact CG-CG 3.93Å; M472-Q527 PolarHBondContact O-NE2 3.43Å; L515-Q527 HydrophobicContact CD2-CG 3.74Å; Q527-C534 HydrophobicContact CB-CB 3.87Å; Q527-C534 VanDerWaalsContact CD-CB 3.44Å; Q527-C534 HydrophobicContact CG-CB 3.62Å
528	V	75.5	Confident	79	Confident	65 Å²	65	58.9 Å²	58.9	39%	0.394	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	140.1	172.2	179.4	0	0	0	0	108.1	S513 K514 L516 C534	S513-V528 CarbonylContact C-O 3.47Å; S513-V528 WeakPolarHBondContact CA-O 3.36Å; K514-V528 PolarHBondContact N-O 3.48Å; K514-V528 PolarHBondContact O-N 2.88Å; L516-V528 HydrophobicContact CD1-CG2 3.63Å; L516-V528 HydrophobicContact CG-CG2 4Å; V528-C534 PolarHBondContact O-SG 3.15Å
529	G	73.7	Confident	79.8	Confident	46 Å²	46	57.1 Å²	57.1	47%	0.474	33%	0.329	S	S	.	.	S	Bend	trans	84.4	-148.3	-175.5	0	0	0	0	0	113.3	K531	G529-K531 PolarHBondContact O-N 2.91Å
530	N	78.4	Confident	80.9	Confident	82 Å²	82	51.2 Å²	51.2	44%	0.439	30%	0.298	S	S	.	.			trans	-76.1	116.8	-175.3	-178.1	-16.4	0	0	0	110.7	S513 T532 E533 C534	S513-N530 PolarHBondContact OG-N 2.83Å; N530-T532 PolarHBondContact O-N 3.29Å; N530-T532 VanDerWaalsContact OD1-CB 3.23Å; N530-T532 WeakPolarHBondContact OD1-CB 3.28Å; N530-T532 PolarHBondContact OD1-N 3.11Å; N530-T532 PolarHBondContact OD1-OG1 3.1Å; N530-E533 HydrophobicContact CB-CB 4.33Å; N530-E533 HydrophobicContact CB-CG 3.85Å; N530-E533 WeakPolarHBondContact O-CA 3.49Å; N530-E533 WeakPolarHBondContact O-CB 3.18Å; N530-E533 PolarHBondContact O-N 3.1Å; N530-C534 PolarHBondContact O-N 2.8Å; N530-C534 PolarHBondContact O-SG 3.08Å
531	K	81	Confident	81.8	Confident	79 Å²	79	51.1 Å²	51.1	34%	0.343	29%	0.292	S	S	.	.	H	α-helix	trans	-57.6	-34.1	-178.5	-56.5	-170.1	-178.6	-168.8	0	113	N470 M472 G529 E533 C534 A535	N470-K531 WeakPolarHBondContact O-CD 3.49Å; N470-K531 PolarHBondContact O-NZ 3.04Å; N470-K531 PolarHBondContact OD1-NZ 3.41Å; M472-K531 HydrophobicContact CB-CB 4.3Å; M472-K531 WeakPolarHBondContact CB-O 3.36Å; M472-K531 HydrophobicContact CG-CB 3.97Å; G529-K531 PolarHBondContact O-N 2.91Å; K531-E533 VanDerWaalsContact C-N 3.3Å; K531-E533 PolarHBondContact O-N 2.92Å; K531-C534 PolarHBondContact O-N 3.46Å; K531-A535 PolarHBondContact O-N 3.34Å
532	T	85.4	Confident	83	Confident	27 Å²	27	48.7 Å²	48.7	17%	0.166	28%	0.278	C	S	.	.	H	α-helix	trans	-59.6	-42.8	174.6	-49	0	0	0	0	110.9	N530 A535 L536 I637 I682	N530-T532 PolarHBondContact O-N 3.29Å; N530-T532 VanDerWaalsContact OD1-CB 3.23Å; N530-T532 WeakPolarHBondContact OD1-CB 3.28Å; N530-T532 PolarHBondContact OD1-N 3.11Å; N530-T532 PolarHBondContact OD1-OG1 3.1Å; T532-A535 WeakPolarHBondContact O-CB 3.25Å; T532-A535 PolarHBondContact O-N 3.32Å; T532-L536 WeakPolarHBondContact O-CG 3.42Å; T532-L536 PolarHBondContact O-N 2.91Å; T532-I637 HydrophobicContact CG2-CD1 4.02Å; T532-I637 HydrophobicContact CG2-CG1 4.43Å; T532-I682 HydrophobicContact CG2-CD1 3.81Å
533	E	89.4	Confident	84.3	Confident	11 Å²	11	40.8 Å²	40.8	5%	0.051	24%	0.236	C	C	.	.	H	α-helix	trans	-73.2	-40.3	178	-54.3	-171.7	125.9	0	0	111.1	S509 G510 S513 N530 K531 A535 L536 L537 K590	S509-E533 VanDerWaalsContact CA-OE1 3.26Å; S509-E533 WeakPolarHBondContact CA-OE1 3.31Å; G510-E533 PolarHBondContact N-OE1 2.99Å; G510-E533 PolarHBondContact N-OE2 2.93Å; S513-E533 VanDerWaalsContact CB-OE2 3.26Å; S513-E533 WeakPolarHBondContact CB-OE2 3.27Å; S513-E533 PolarHBondContact OG-OE2 3.43Å; N530-E533 HydrophobicContact CB-CB 4.33Å; N530-E533 HydrophobicContact CB-CG 3.85Å; N530-E533 WeakPolarHBondContact O-CA 3.49Å; N530-E533 WeakPolarHBondContact O-CB 3.18Å; N530-E533 PolarHBondContact O-N 3.1Å; K531-E533 VanDerWaalsContact C-N 3.3Å; K531-E533 PolarHBondContact O-N 2.92Å; E533-A535 PolarHBondContact O-N 3.5Å; E533-L536 WeakPolarHBondContact O-CB 3.43Å; E533-L536 PolarHBondContact O-N 3.29Å; E533-L537 WeakPolarHBondContact O-CG 3.3Å; E533-L537 PolarHBondContact O-N 3.25Å; E533-K590 IonicContact OE1-NZ 3.15Å; E533-K590 PolarHBondContact OE1-NZ 2.89Å
534	C	89.8	Confident	85.4	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.3	-27.8	175.8	-60	0	0	0	0	112.9	L515 Q527 V528 N530 K531 G538	L515-C534 HydrophobicContact CD2-CB 4.06Å; Q527-C534 HydrophobicContact CB-CB 3.87Å; Q527-C534 VanDerWaalsContact CD-CB 3.44Å; Q527-C534 HydrophobicContact CG-CB 3.62Å; V528-C534 PolarHBondContact O-SG 3.15Å; N530-C534 PolarHBondContact O-N 2.8Å; N530-C534 PolarHBondContact O-SG 3.08Å; K531-C534 PolarHBondContact O-N 3.46Å; C534-G538 PolarHBondContact O-N 2.96Å
535	A	91.5	Very high	86.3	Confident	1 Å²	1	40 Å²	40	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-67.5	-39.8	171	0	0	0	0	0	112.2	M472 K531 T532 E533 G538 F539 I682	M472-A535 HydrophobicContact CB-CB 3.74Å; M472-A535 WeakPolarHBondContact O-CA 3.28Å; M472-A535 VanDerWaalsContact O-CB 3.25Å; M472-A535 WeakPolarHBondContact O-CB 3.43Å; K531-A535 PolarHBondContact O-N 3.34Å; T532-A535 WeakPolarHBondContact O-CB 3.25Å; T532-A535 PolarHBondContact O-N 3.32Å; E533-A535 PolarHBondContact O-N 3.5Å; A535-G538 PolarHBondContact O-N 3.34Å; A535-F539 PolarHBondContact O-N 3.49Å; A535-I682 HydrophobicContact CB-CB 4.22Å; A535-I682 HydrophobicContact CB-CD1 4.11Å; A535-I682 HydrophobicContact CB-CG2 3.92Å
536	L	94.2	Very high	87	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-73.3	-44.4	178.3	-59.1	171	0	0	0	111.1	I505 T532 E533 G538 F539 V540 K590 I637 I639 I680	I505-L536 HydrophobicContact CD1-CB 4.25Å; I505-L536 HydrophobicContact CG1-CB 4.2Å; I505-L536 VanDerWaalsContact CG2-C 3.47Å; I505-L536 HydrophobicContact CG2-CB 3.59Å; I505-L536 WeakPolarHBondContact CG2-O 3.5Å; T532-L536 WeakPolarHBondContact O-CG 3.42Å; T532-L536 PolarHBondContact O-N 2.91Å; E533-L536 WeakPolarHBondContact O-CB 3.43Å; E533-L536 PolarHBondContact O-N 3.29Å; L536-G538 PolarHBondContact O-N 3.25Å; L536-F539 VanDerWaalsContact O-CB 3.31Å; L536-F539 WeakPolarHBondContact O-CB 3.29Å; L536-F539 PolarHBondContact O-N 2.92Å; L536-V540 PolarHBondContact O-N 3.47Å; L536-K590 HydrophobicContact CD1-CD 4.16Å; L536-I637 HydrophobicContact CD1-CG2 4.32Å; L536-I637 HydrophobicContact CD2-CG2 4.42Å; L536-I639 HydrophobicContact CD2-CD1 4.37Å; L536-I680 HydrophobicContact CD2-CB 4.3Å; L536-I680 HydrophobicContact CD2-CD1 3.91Å; L536-I680 HydrophobicContact CD2-CG2 4.37Å
537	L	93.9	Very high	87.6	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-32.7	170.3	-62.7	172.5	0	0	0	111	I505 S513 L515 E533 K541 Y547	I505-L537 HydrophobicContact CG2-CD2 4.15Å; S513-L537 VanDerWaalsContact O-CD1 3.29Å; S513-L537 WeakPolarHBondContact O-CD1 3.25Å; L515-L537 HydrophobicContact CD1-CB 4.18Å; L515-L537 HydrophobicContact CG-CB 4.45Å; E533-L537 WeakPolarHBondContact O-CG 3.3Å; E533-L537 PolarHBondContact O-N 3.25Å; L537-K541 PolarHBondContact O-N 2.96Å; L537-K541 VanDerWaalsContact O-N 3.16Å; L537-Y547 HydrophobicContact CB-CD1 3.86Å; L537-Y547 HydrophobicContact CB-CE1 3.89Å; L537-Y547 HydrophobicContact CB-CG 4.39Å; L537-Y547 HydrophobicContact CD1-CE2 4.49Å; L537-Y547 HydrophobicContact CD2-CD1 4.03Å; L537-Y547 HydrophobicContact CD2-CD2 3.87Å; L537-Y547 HydrophobicContact CD2-CE2 4.47Å; L537-Y547 HydrophobicContact CD2-CG 3.67Å; L537-Y547 HydrophobicContact CG-CD1 4.46Å
538	G	92.1	Very high	88.1	Confident	18 Å²	18	37.2 Å²	37.2	19%	0.186	22%	0.219	C	C	.	.	H	α-helix	trans	-66.5	-42.4	172	0	0	0	0	0	112.7	L515 C534 A535 L536 K541 S542	L515-G538 VanDerWaalsContact CD1-CA 3.47Å; C534-G538 PolarHBondContact O-N 2.96Å; A535-G538 PolarHBondContact O-N 3.34Å; L536-G538 PolarHBondContact O-N 3.25Å; G538-K541 PolarHBondContact O-N 2.9Å; G538-S542 WeakPolarHBondContact O-CB 3.48Å; G538-S542 PolarHBondContact O-N 3.19Å; G538-S542 PolarHBondContact O-OG 3.47Å; G538-S542 VanDerWaalsContact O-OG 3.08Å
539	F	93.8	Very high	88.7	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.6	-44.5	174.1	177.3	-99.9	0	0	0	112.3	A474 C477 I479 I487 I501 I505 A535 L536 K541 S542 I543 I680	A474-F539 HydrophobicContact CB-CB 3.8Å; A474-F539 HydrophobicContact CB-CD2 3.69Å; A474-F539 HydrophobicContact CB-CG 4.16Å; C477-F539 HydrophobicContact CB-CE2 3.89Å; C477-F539 HydrophobicContact CB-CZ 3.98Å; I479-F539 HydrophobicContact CD1-CE1 4.29Å; I479-F539 HydrophobicContact CD1-CZ 3.77Å; I487-F539 HydrophobicContact CD1-CD2 4.13Å; I487-F539 HydrophobicContact CG1-CD2 4.13Å; I487-F539 HydrophobicContact CG1-CE2 4.46Å; I487-F539 HydrophobicContact CG2-CD2 4.01Å; I487-F539 HydrophobicContact CG2-CE2 4.02Å; I501-F539 HydrophobicContact CG2-CE1 4.23Å; I505-F539 HydrophobicContact CD1-CD1 3.95Å; I505-F539 HydrophobicContact CD1-CE1 4.49Å; A535-F539 PolarHBondContact O-N 3.49Å; L536-F539 VanDerWaalsContact O-CB 3.31Å; L536-F539 WeakPolarHBondContact O-CB 3.29Å; L536-F539 PolarHBondContact O-N 2.92Å; F539-K541 VanDerWaalsContact C-N 3.33Å; F539-K541 PolarHBondContact O-N 3.37Å; F539-S542 PolarHBondContact O-N 3.02Å; F539-I543 HydrophobicContact CD1-CD1 3.82Å; F539-I543 HydrophobicContact CE1-CD1 3.31Å; F539-I543 HydrophobicContact CE1-CG1 4.45Å; F539-I543 HydrophobicContact CE2-CD1 4.15Å; F539-I543 HydrophobicContact CG-CD1 4.43Å; F539-I543 HydrophobicContact CZ-CD1 3.51Å; F539-I543 HydrophobicContact CZ-CG1 4.42Å; F539-I543 WeakPolarHBondContact O-CG1 3.4Å; F539-I543 PolarHBondContact O-N 2.98Å; F539-I680 HydrophobicContact CD1-CD1 3.44Å; F539-I680 VanDerWaalsContact CD1-CD1 3.44Å; F539-I680 HydrophobicContact CD2-CD1 4.27Å; F539-I680 HydrophobicContact CD2-CG2 4.31Å; F539-I680 HydrophobicContact CE1-CD1 3.4Å; F539-I680 VanDerWaalsContact CE1-CD1 3.4Å; F539-I680 HydrophobicContact CE1-CG1 4.35Å; F539-I680 HydrophobicContact CE2-CD1 4.25Å; F539-I680 HydrophobicContact CG-CD1 3.88Å; F539-I680 HydrophobicContact CZ-CD1 3.82Å; F539-I680 HydrophobicContact CZ-CG1 4.33Å
540	V	93.7	Very high	89.5	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-56.3	-47.5	173.4	172.1	0	0	0	0	111.1	V502 I505 L536 I543 G544 R545	V502-V540 HydrophobicContact CB-CG1 4.48Å; V502-V540 HydrophobicContact CB-CG2 4.47Å; V502-V540 HydrophobicContact CG1-CG1 3.72Å; V502-V540 HydrophobicContact CG1-CG2 4.42Å; V502-V540 HydrophobicContact CG2-CG1 4.18Å; V502-V540 HydrophobicContact CG2-CG2 4.16Å; I505-V540 HydrophobicContact CB-CG2 3.89Å; I505-V540 HydrophobicContact CD1-CG2 3.99Å; I505-V540 HydrophobicContact CG2-CG2 3.58Å; L536-V540 PolarHBondContact O-N 3.47Å; V540-I543 PolarHBondContact O-N 2.87Å; V540-G544 PolarHBondContact O-N 2.91Å; V540-R545 CarbonylContact C-O 3.52Å; V540-R545 HydrophobicContact CG1-CB 4.1Å; V540-R545 PolarHBondContact O-N 3.11Å; V540-R545 VanDerWaalsContact O-O 3.1Å
541	K	90.8	Very high	89.9	Confident	110 Å²	110	35.4 Å²	35.4	48%	0.478	20%	0.195	S	C	.	.	H	α-helix	trans	-67.1	-36.3	179.3	-159.2	157	-170.8	154.2	0	112.6	L537 G538 F539 G544 R545	L537-K541 PolarHBondContact O-N 2.96Å; L537-K541 VanDerWaalsContact O-N 3.16Å; G538-K541 PolarHBondContact O-N 2.9Å; F539-K541 VanDerWaalsContact C-N 3.33Å; F539-K541 PolarHBondContact O-N 3.37Å; K541-G544 PolarHBondContact O-N 3.25Å; K541-R545 WeakPolarHBondContact CA-O 3.39Å
542	S	89.5	Confident	90.2	Very high	73 Å²	73	37.2 Å²	37.2	51%	0.51	21%	0.213	S	C	.	.	H	α-helix	trans	-71.4	-28.2	176	-66.6	0	0	0	0	114.1	G538 F539 G544	G538-S542 WeakPolarHBondContact O-CB 3.48Å; G538-S542 PolarHBondContact O-N 3.19Å; G538-S542 PolarHBondContact O-OG 3.47Å; G538-S542 VanDerWaalsContact O-OG 3.08Å; F539-S542 PolarHBondContact O-N 3.02Å; S542-G544 PolarHBondContact O-N 2.8Å
543	I	89.8	Confident	90.2	Very high	3 Å²	3	41 Å²	41	2%	0.015	23%	0.228	C	C	.	.	H	α-helix	trans	-68.3	-26	171.2	-79.7	173.5	0	0	0	111.4	I487 P488 A490 L493 I498 F539 V540 R545	I487-I543 HydrophobicContact CG2-CG1 4.09Å; P488-I543 WeakPolarHBondContact O-CG1 3.34Å; A490-I543 HydrophobicContact CB-CG2 3.77Å; A490-I543 WeakPolarHBondContact CB-O 3.25Å; A490-I543 PolarHBondContact N-O 2.85Å; L493-I543 HydrophobicContact CD1-CD1 4.34Å; I498-I543 HydrophobicContact CG2-CG2 4.15Å; F539-I543 HydrophobicContact CD1-CD1 3.82Å; F539-I543 HydrophobicContact CE1-CD1 3.31Å; F539-I543 HydrophobicContact CE1-CG1 4.45Å; F539-I543 HydrophobicContact CE2-CD1 4.15Å; F539-I543 HydrophobicContact CG-CD1 4.43Å; F539-I543 HydrophobicContact CZ-CD1 3.51Å; F539-I543 HydrophobicContact CZ-CG1 4.42Å; F539-I543 WeakPolarHBondContact O-CG1 3.4Å; F539-I543 PolarHBondContact O-N 2.98Å; V540-I543 PolarHBondContact O-N 2.87Å; I543-R545 HydrophobicContact CG2-CG 4.36Å
544	G	87.7	Confident	89.9	Confident	60 Å²	60	41.2 Å²	41.2	62%	0.619	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	101.6	23.3	-175.9	0	0	0	0	0	114.3	V540 K541 S542	V540-G544 PolarHBondContact O-N 2.91Å; K541-G544 PolarHBondContact O-N 3.25Å; S542-G544 PolarHBondContact O-N 2.8Å
545	R	89.3	Confident	89.6	Confident	81 Å²	81	43.2 Å²	43.2	31%	0.306	24%	0.243	S	C	.	.			trans	-113.3	156.4	170.7	-62.8	-63.2	-146.8	-150.8	1.7	110.3	E495 I498 N499 V502 V540 K541 I543	E495-R545 IonicContact OE1-CZ 2.8Å; E495-R545 IonicContact OE1-NH1 2.81Å; E495-R545 IonicContact OE1-NH2 3.22Å; E495-R545 PolarHBondContact OE1-NH2 2.92Å; I498-R545 HydrophobicContact CG2-CG 4.36Å; N499-R545 PolarHBondContact OD1-NH2 3.25Å; N499-R545 VanDerWaalsContact OD1-NH2 3.12Å; V502-R545 HydrophobicContact CG1-CB 4.14Å; V502-R545 HydrophobicContact CG2-CB 4.32Å; V502-R545 HydrophobicContact CG2-CG 4.3Å; V540-R545 CarbonylContact C-O 3.52Å; V540-R545 HydrophobicContact CG1-CB 4.1Å; V540-R545 PolarHBondContact O-N 3.11Å; V540-R545 VanDerWaalsContact O-O 3.1Å; K541-R545 WeakPolarHBondContact CA-O 3.39Å; I543-R545 HydrophobicContact CG2-CG 4.36Å
546	N	90.3	Very high	89	Confident	51 Å²	51	49 Å²	49	27%	0.273	27%	0.27	S	S	.	.			trans	-103	132.8	176	-173.1	18.7	0	0	0	110.9	E548 D549	N546-E548 PolarHBondContact OD1-N 2.78Å; N546-E548 VanDerWaalsContact OD1-N 3.1Å; N546-D549 VanDerWaalsContact CB-OD2 3.26Å; N546-D549 WeakPolarHBondContact CB-OD2 3.25Å; N546-D549 PolarHBondContact ND2-OD1 2.87Å; N546-D549 PolarHBondContact ND2-OD2 3.39Å
547	Y	91.5	Very high	88.1	Confident	1 Å²	1	56 Å²	56	0%	0.004	30%	0.302	C	S	.	.	H	α-helix	trans	-87.1	-22.1	175.5	68.6	-102.3	0	0	0	112.3	S506 L515 L537 R551	S506-Y547 VanDerWaalsContact OG-CB 3.29Å; S506-Y547 WeakPolarHBondContact OG-CB 3.27Å; L515-Y547 HydrophobicContact CB-CE1 4.32Å; L515-Y547 WeakPolarHBondContact CB-OH 3.5Å; L515-Y547 HydrophobicContact CD1-CE1 4.2Å; L515-Y547 HydrophobicContact CG-CE1 4.48Å; L515-Y547 PolarHBondContact N-OH 3.34Å; L537-Y547 HydrophobicContact CB-CD1 3.86Å; L537-Y547 HydrophobicContact CB-CE1 3.89Å; L537-Y547 HydrophobicContact CB-CG 4.39Å; L537-Y547 HydrophobicContact CD1-CE2 4.49Å; L537-Y547 HydrophobicContact CD2-CD1 4.03Å; L537-Y547 HydrophobicContact CD2-CD2 3.87Å; L537-Y547 HydrophobicContact CD2-CE2 4.47Å; L537-Y547 HydrophobicContact CD2-CG 3.67Å; L537-Y547 HydrophobicContact CG-CD1 4.46Å; Y547-R551 WeakPolarHBondContact O-CG 3.42Å; Y547-R551 PolarHBondContact O-N 3.02Å; Y547-R551 VanDerWaalsContact O-N 3.11Å
548	E	88.8	Confident	87.6	Confident	71 Å²	71	63.1 Å²	63.1	33%	0.332	33%	0.329	S	S	.	.	H	α-helix	trans	-66.3	-42.3	-178.7	-93	122.2	-163.5	0	0	111.2	N546 I550 R551 T552	N546-E548 PolarHBondContact OD1-N 2.78Å; N546-E548 VanDerWaalsContact OD1-N 3.1Å; E548-I550 VanDerWaalsContact C-N 3.32Å; E548-I550 PolarHBondContact O-N 2.79Å; E548-R551 CarbonylContact O-C 3.39Å; E548-R551 PolarHBondContact O-N 2.86Å; E548-R551 VanDerWaalsContact O-N 3.12Å; E548-T552 PolarHBondContact O-N 3.4Å; E548-T552 PolarHBondContact O-OG1 3.08Å; E548-T552 VanDerWaalsContact O-OG1 3.06Å
549	D	89.1	Confident	87.3	Confident	104 Å²	104	63.8 Å²	63.8	56%	0.556	33%	0.328	S	S	*	.	H	α-helix	trans	-60.5	-41	178.8	-52.4	-30.5	0	0	0	111.9	N546 T552 Q553	N546-D549 VanDerWaalsContact CB-OD2 3.26Å; N546-D549 WeakPolarHBondContact CB-OD2 3.25Å; N546-D549 PolarHBondContact ND2-OD1 2.87Å; N546-D549 PolarHBondContact ND2-OD2 3.39Å; D549-T552 WeakPolarHBondContact O-CB 3.39Å; D549-T552 PolarHBondContact O-N 3.45Å; D549-Q553 PolarHBondContact O-N 3.2Å
550	I	89.1	Confident	86.9	Confident	29 Å²	29	67.9 Å²	67.9	15%	0.149	34%	0.344	C	S	.	.	H	α-helix	trans	-67.2	-39.8	177	-62.7	173.9	0	0	0	110.7	V502 I507 E548 T552 Q553 W554	V502-I550 HydrophobicContact CG1-CD1 3.51Å; I507-I550 HydrophobicContact CD1-CG2 4.27Å; I507-I550 HydrophobicContact CG1-CG2 4.06Å; E548-I550 VanDerWaalsContact C-N 3.32Å; E548-I550 PolarHBondContact O-N 2.79Å; I550-T552 VanDerWaalsContact C-N 3.28Å; I550-T552 PolarHBondContact O-N 3.49Å; I550-Q553 PolarHBondContact O-N 2.51Å; I550-W554 WeakPolarHBondContact O-CB 3.43Å; I550-W554 PolarHBondContact O-N 2.75Å
551	R	88.3	Confident	86.7	Confident	23 Å²	23	70.5 Å²	70.5	9%	0.087	36%	0.356	C	S	.	.	H	α-helix	trans	-72	-18.9	174.6	-73.7	-177.6	165.8	-173.9	-17.2	113.6	S506 S509 G510 Y511 S513 Y547 E548 W554	S506-R551 PolarHBondContact O-NE 2.81Å; S509-R551 PolarHBondContact O-NH2 2.67Å; G510-R551 PolarHBondContact O-NH2 3.02Å; Y511-R551 HydrophobicContact CD1-CG 4.45Å; Y511-R551 HydrophobicContact CE1-CB 3.84Å; Y511-R551 HydrophobicContact CE1-CG 3.8Å; S513-R551 PolarHBondContact O-NH1 2.75Å; Y547-R551 WeakPolarHBondContact O-CG 3.42Å; Y547-R551 PolarHBondContact O-N 3.02Å; Y547-R551 VanDerWaalsContact O-N 3.11Å; E548-R551 CarbonylContact O-C 3.39Å; E548-R551 PolarHBondContact O-N 2.86Å; E548-R551 VanDerWaalsContact O-N 3.12Å; R551-W554 CarbonylContact C-O 2.94Å; R551-W554 CarbonylContact O-C 3.45Å
552	T	86.4	Confident	86.5	Confident	117 Å²	117	68.2 Å²	68.2	72%	0.718	35%	0.351	S	S	*	.	H	α-helix	trans	-77.7	-39.6	169	-57.3	0	0	0	0	111.2	E548 D549 I550	E548-T552 PolarHBondContact O-N 3.4Å; E548-T552 PolarHBondContact O-OG1 3.08Å; E548-T552 VanDerWaalsContact O-OG1 3.06Å; D549-T552 WeakPolarHBondContact O-CB 3.39Å; D549-T552 PolarHBondContact O-N 3.45Å; I550-T552 VanDerWaalsContact C-N 3.28Å; I550-T552 PolarHBondContact O-N 3.49Å
553	Q	85.6	Confident	86.4	Confident	105 Å²	105	65.4 Å²	65.4	49%	0.491	33%	0.329	S	S	.	.	H	α-helix	trans	-67.8	-40.1	173	-172.8	-176.1	15.4	0	0	112.3	D549 I550 R558	D549-Q553 PolarHBondContact O-N 3.2Å; I550-Q553 PolarHBondContact O-N 2.51Å; Q553-R558 PolarHBondContact O-NH1 3.15Å
554	W	83.9	Confident	86.2	Confident	16 Å²	16	69.8 Å²	69.8	6%	0.061	36%	0.356	C	S	.	.	S	Bend	trans	-113.2	85.7	179.2	-62.7	90.5	0	0	0	109.5	I507 Y511 I550 R551 R558 I576 K577 S579	I507-W554 HydrophobicContact CD1-CB 3.88Å; I507-W554 HydrophobicContact CD1-CD2 4Å; I507-W554 HydrophobicContact CD1-CG 3.57Å; I507-W554 HydrophobicContact CG1-CB 4.18Å; I507-W554 HydrophobicContact CG1-CG 4.38Å; Y511-W554 WeakPolarHBondContact CE1-O 3.4Å; Y511-W554 PolarHBondContact OH-O 3.36Å; I550-W554 WeakPolarHBondContact O-CB 3.43Å; I550-W554 PolarHBondContact O-N 2.75Å; R551-W554 CarbonylContact C-O 2.94Å; R551-W554 CarbonylContact O-C 3.45Å; W554-R558 HydrophobicContact CE3-CB 4.45Å; W554-I576 HydrophobicContact CD2-CD1 4.45Å; W554-I576 HydrophobicContact CE3-CB 4.22Å; W554-I576 HydrophobicContact CE3-CD1 4.31Å; W554-I576 HydrophobicContact CE3-CG2 4.11Å; W554-I576 HydrophobicContact CH2-CB 4.49Å; W554-I576 HydrophobicContact CH2-CD1 4.03Å; W554-I576 HydrophobicContact CZ2-CD1 4.16Å; W554-I576 HydrophobicContact CZ3-CB 3.9Å; W554-I576 HydrophobicContact CZ3-CD1 4.11Å; W554-I576 HydrophobicContact CZ3-CG2 4.3Å; W554-K577 VanDerWaalsContact CH2-O 3.28Å; W554-K577 WeakPolarHBondContact CH2-O 3.31Å; W554-K577 WeakPolarHBondContact CZ3-O 3.4Å; W554-S579 VanDerWaalsContact CH2-OG 3.27Å; W554-S579 WeakPolarHBondContact CH2-OG 3.42Å; W554-S579 VanDerWaalsContact CZ2-OG 3.23Å; W554-S579 WeakPolarHBondContact CZ2-OG 3.46Å
555	S	82.5	Confident	86	Confident	42 Å²	42	72.2 Å²	72.2	29%	0.294	35%	0.35	S	S	.	.			trans	-67.8	159.3	171.9	57.3	0	0	0	0	111.7	E557 R558	S555-E557 PolarHBondContact O-N 2.77Å; S555-R558 WeakPolarHBondContact O-CB 3.35Å; S555-R558 PolarHBondContact O-N 2.94Å
556	E	78.6	Confident	85.5	Confident	124 Å²	124	71.2 Å²	71.2	58%	0.579	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-58.6	-31.3	178.4	-167.5	163.5	-158	0	0	112.3	Y511 R558 L559	Y511-E556 HydrophobicContact CD1-CB 4.18Å; Y511-E556 HydrophobicContact CE1-CB 4.48Å; Y511-E556 HydrophobicContact CG-CB 4.27Å; E556-R558 PolarHBondContact O-N 2.77Å; E556-L559 HydrophobicContact CG-CD1 4.35Å; E556-L559 WeakPolarHBondContact O-CG 3.22Å; E556-L559 PolarHBondContact O-N 3.47Å
557	E	75.7	Confident	84.6	Confident	147 Å²	147	73.4 Å²	73.4	69%	0.687	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-66.5	-11.3	172.9	-58.6	-173.1	161.9	0	0	114.4	R2 S555	R2-E557 IonicContact CZ-OE1 2.63Å; R2-E557 IonicContact NH2-OE1 3.97Å; R2-E557 PolarHBondContact NH2-OE1 3.12Å; R2-E557 IonicContact NH2-OE2 2.65Å; S555-E557 PolarHBondContact O-N 2.77Å
558	R	83.5	Confident	83.9	Confident	150 Å²	150	80.3 Å²	80.3	57%	0.566	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-99	-2.4	177.7	-69.3	178	168.1	-165.2	-9.7	113.6	Q553 W554 S555 E556	Q553-R558 PolarHBondContact O-NH1 3.15Å; W554-R558 HydrophobicContact CE3-CB 4.45Å; S555-R558 WeakPolarHBondContact O-CB 3.35Å; S555-R558 PolarHBondContact O-N 2.94Å; E556-R558 PolarHBondContact O-N 2.77Å
559	L	84.9	Confident	83.6	Confident	32 Å²	32	79.4 Å²	79.4	17%	0.168	40%	0.399	C	S	.	.			trans	-75.9	125.2	176.8	-53.2	-177.3	0	0	0	109.1	I507 Y511 E556 V562 T574 I576	I507-L559 HydrophobicContact CG2-CD2 3.66Å; Y511-L559 HydrophobicContact CE2-CD1 4.2Å; E556-L559 HydrophobicContact CG-CD1 4.35Å; E556-L559 WeakPolarHBondContact O-CG 3.22Å; E556-L559 PolarHBondContact O-N 3.47Å; L559-V562 HydrophobicContact CB-CG2 4.02Å; L559-V562 HydrophobicContact CD1-CG2 3.84Å; L559-T574 HydrophobicContact CD1-CG2 4.31Å; L559-T574 HydrophobicContact CD2-CG2 3.98Å; L559-T574 HydrophobicContact CG-CG2 4.5Å; L559-I576 HydrophobicContact CD2-CG2 3.91Å
560	Y	87	Confident	83.5	Confident	86 Å²	86	78.1 Å²	78.1	34%	0.337	39%	0.388	S	S	.	.	S	Bend	trans	-79.9	-41.5	-173.4	180	-77.5	0	0	0	111.7	V575 K577 F585 E661 W664	Y560-V575 HydrophobicContact CD1-CG1 4.05Å; Y560-V575 HydrophobicContact CG-CG1 4.44Å; Y560-V575 PolarHBondContact N-O 2.72Å; Y560-K577 HydrophobicContact CD2-CD 4.42Å; Y560-F585 HydrophobicContact CD1-CE1 4.21Å; Y560-F585 AromaticContact CD2-CE1 3.77Å; Y560-F585 HydrophobicContact CD2-CE1 3.77Å; Y560-F585 HydrophobicContact CE1-CE1 4.23Å; Y560-F585 AromaticContact CE2-CE1 3.71Å; Y560-F585 HydrophobicContact CE2-CE1 3.71Å; Y560-F585 HydrophobicContact CE2-CZ 4.22Å; Y560-F585 HydrophobicContact CG-CE1 4.02Å; Y560-F585 AromaticContact CZ-CE1 3.97Å; Y560-E661 PolarHBondContact OH-OE2 2.82Å; Y560-W664 HydrophobicContact CD1-CD2 4.48Å; Y560-W664 HydrophobicContact CD1-CZ2 4.43Å; Y560-W664 AromaticContact CE1-CD1 3.62Å; Y560-W664 AromaticContact CE1-CD2 3.85Å; Y560-W664 HydrophobicContact CE1-CD2 3.85Å; Y560-W664 AromaticContact CE1-CE2 3.43Å; Y560-W664 VanDerWaalsContact CE1-CE2 3.43Å; Y560-W664 AromaticContact CE1-CG 3.94Å; Y560-W664 HydrophobicContact CE1-CG 3.94Å; Y560-W664 AromaticContact CE1-CZ2 3.93Å; Y560-W664 HydrophobicContact CE1-CZ2 3.93Å; Y560-W664 AromaticContact CE1-NE1 3.29Å; Y560-W664 VanDerWaalsContact CE1-NE1 3.29Å; Y560-W664 AromaticContact CZ-NE1 3.53Å; Y560-W664 PolarHBondContact OH-NE1 3.33Å
561	K	88.7	Confident	83.6	Confident	56 Å²	56	77.2 Å²	77.2	24%	0.243	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	137.9	174	-171.2	85.7	170.7	-158.2	0	109	Y563 V575 W664 D665	K561-Y563 HydrophobicContact CG-CD2 4.45Å; K561-Y563 HydrophobicContact CG-CE1 4.03Å; K561-Y563 HydrophobicContact CG-CE2 3.9Å; K561-V575 HydrophobicContact CB-CB 4.07Å; K561-V575 HydrophobicContact CB-CG2 4.08Å; K561-V575 PolarHBondContact O-N 3.41Å; K561-W664 HydrophobicContact CD-CB 4.17Å; K561-W664 WeakPolarHBondContact CE-O 3.46Å; K561-W664 PolarHBondContact NZ-O 3.01Å; K561-D665 IonicContact NZ-OD1 3.69Å; K561-D665 PolarHBondContact NZ-OD1 3.02Å
562	V	86.7	Confident	83.7	Confident	62 Å²	62	77.4 Å²	77.4	38%	0.376	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	113.3	174.3	-178.7	0	0	0	0	109.2	L559 T564 M572 T574	L559-V562 HydrophobicContact CB-CG2 4.02Å; L559-V562 HydrophobicContact CD1-CG2 3.84Å; V562-T564 PolarHBondContact O-N 3.3Å; V562-M572 HydrophobicContact CG1-CE 4.29Å; V562-T574 HydrophobicContact CG2-CG2 4.14Å
563	Y	87.7	Confident	84.1	Confident	14 Å²	14	71.8 Å²	71.8	6%	0.055	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	101.7	169.2	-54.4	-79	0	0	0	108.2	K561 M572 S573 V575 L587 W664 E667 L670	K561-Y563 HydrophobicContact CG-CD2 4.45Å; K561-Y563 HydrophobicContact CG-CE1 4.03Å; K561-Y563 HydrophobicContact CG-CE2 3.9Å; Y563-M572 WeakPolarHBondContact O-CA 3.36Å; Y563-M572 WeakPolarHBondContact O-CG 3.47Å; Y563-S573 WeakPolarHBondContact CA-O 3.42Å; Y563-S573 PolarHBondContact N-O 2.92Å; Y563-S573 PolarHBondContact O-N 3.1Å; Y563-V575 HydrophobicContact CE2-CG2 4Å; Y563-L587 HydrophobicContact CE2-CD1 4.34Å; Y563-W664 WeakPolarHBondContact CE1-O 3.35Å; Y563-W664 PolarHBondContact OH-O 2.99Å; Y563-E667 WeakPolarHBondContact CB-OE1 3.34Å; Y563-E667 HydrophobicContact CD1-CB 4.01Å; Y563-E667 HydrophobicContact CD1-CG 3.48Å; Y563-E667 VanDerWaalsContact CD1-CG 3.48Å; Y563-E667 WeakPolarHBondContact CD1-OE2 3.43Å; Y563-E667 HydrophobicContact CD2-CG 4.36Å; Y563-E667 HydrophobicContact CE1-CB 3.78Å; Y563-E667 HydrophobicContact CE1-CG 3.63Å; Y563-E667 HydrophobicContact CE2-CG 4.48Å; Y563-E667 VanDerWaalsContact CG-CD 3.48Å; Y563-E667 HydrophobicContact CG-CG 3.86Å; Y563-L670 WeakPolarHBondContact OH-CD1 3.4Å
564	T	85.4	Confident	84.4	Confident	95 Å²	95	66.9 Å²	66.9	58%	0.583	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.9	164.2	-179.8	54.3	0	0	0	0	111.9	V562 N566 R569	V562-T564 PolarHBondContact O-N 3.3Å; T564-N566 PolarHBondContact O-N 3.41Å; T564-R569 PolarHBondContact O-NH2 3.04Å
565	F	82.8	Confident	84.8	Confident	110 Å²	110	66.1 Å²	66.1	48%	0.482	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	122.5	177	178.2	-88.2	0	0	0	110.9	K570 M572	F565-K570 VanDerWaalsContact CE2-C 3.42Å; F565-K570 HydrophobicContact CE2-CB 4.4Å; F565-K570 WeakPolarHBondContact CE2-O 3.46Å; F565-K570 HydrophobicContact CZ-CB 4.47Å; F565-M572 HydrophobicContact CB-CB 4.32Å
566	N	78.3	Confident	85.3	Confident	60 Å²	60	64.3 Å²	64.3	32%	0.321	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128.5	173.8	171.3	-10.2	0	0	0	109.3	T564 I568 R569 K570	T564-N566 PolarHBondContact O-N 3.41Å; N566-I568 PolarHBondContact O-N 3.3Å; N566-I568 VanDerWaalsContact O-N 3.14Å; N566-I568 PolarHBondContact OD1-N 3.3Å; N566-R569 HydrophobicContact CB-CG 3.89Å; N566-R569 VanDerWaalsContact CB-CZ 3.48Å; N566-R569 WeakPolarHBondContact O-CG 3.3Å; N566-R569 PolarHBondContact O-N 2.9Å; N566-K570 WeakPolarHBondContact O-CA 3.49Å; N566-K570 PolarHBondContact O-N 2.89Å
567	S	73	Confident	85.7	Confident	97 Å²	97	61.6 Å²	61.6	68%	0.678	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.6	-176	-57.2	0	0	0	0	114.9
568	I	75.9	Confident	85.9	Confident	146 Å²	146	57 Å²	57	75%	0.749	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-57.7	179.1	-59.6	173.8	0	0	0	110.1	N566 K570	N566-I568 PolarHBondContact O-N 3.3Å; N566-I568 VanDerWaalsContact O-N 3.14Å; N566-I568 PolarHBondContact OD1-N 3.3Å; I568-K570 VanDerWaalsContact C-N 3.32Å; I568-K570 PolarHBondContact O-N 3.41Å
569	R	82.3	Confident	85.4	Confident	52 Å²	52	53.6 Å²	53.6	20%	0.196	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-20.7	177	56.3	170.1	174.7	-110.4	13.6	114.2	T564 N566 S571 E667	T564-R569 PolarHBondContact O-NH2 3.04Å; N566-R569 HydrophobicContact CB-CG 3.89Å; N566-R569 VanDerWaalsContact CB-CZ 3.48Å; N566-R569 WeakPolarHBondContact O-CG 3.3Å; N566-R569 PolarHBondContact O-N 2.9Å; R569-S571 WeakPolarHBondContact CD-OG 3.41Å; R569-S571 PolarHBondContact NE-O 2.93Å; R569-S571 PolarHBondContact O-N 3.21Å; R569-E667 IonicContact CZ-OE1 3.21Å; R569-E667 IonicContact CZ-OE2 2.67Å; R569-E667 IonicContact NE-OE1 2.72Å; R569-E667 PolarHBondContact NE-OE1 3Å; R569-E667 IonicContact NH1-OE1 2.69Å; R569-E667 PolarHBondContact NH1-OE1 3.13Å; R569-E667 IonicContact NH1-OE2 2.83Å; R569-E667 PolarHBondContact NH1-OE2 3.47Å; R569-E667 IonicContact NH2-OE1 2.67Å; R569-E667 PolarHBondContact NH2-OE1 2.9Å; R569-E667 VanDerWaalsContact NH2-OE1 3.1Å; R569-E667 IonicContact NH2-OE2 2.83Å; R569-E667 PolarHBondContact NH2-OE2 3.47Å
570	K	87.7	Confident	84.8	Confident	78 Å²	78	59.4 Å²	59.4	34%	0.339	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	26.7	-173	-48.6	174.8	-173.8	155.4	0	114.6	F565 N566 I568 G591 A592 E594 M595	F565-K570 VanDerWaalsContact CE2-C 3.42Å; F565-K570 HydrophobicContact CE2-CB 4.4Å; F565-K570 WeakPolarHBondContact CE2-O 3.46Å; F565-K570 HydrophobicContact CZ-CB 4.47Å; N566-K570 WeakPolarHBondContact O-CA 3.49Å; N566-K570 PolarHBondContact O-N 2.89Å; I568-K570 VanDerWaalsContact C-N 3.32Å; I568-K570 PolarHBondContact O-N 3.41Å; K570-G591 VanDerWaalsContact O-CA 3.24Å; K570-G591 WeakPolarHBondContact O-CA 3.25Å; K570-A592 HydrophobicContact CB-CB 3.78Å; K570-A592 HydrophobicContact CD-CB 3.77Å; K570-A592 HydrophobicContact CG-CB 4.49Å; K570-A592 PolarHBondContact O-N 3.18Å; K570-E594 IonicContact NZ-OE1 3.17Å; K570-E594 PolarHBondContact NZ-OE1 3.14Å; K570-M595 HydrophobicContact CB-CG 4.14Å; K570-M595 HydrophobicContact CD-CG 3.85Å; K570-M595 HydrophobicContact CG-CG 4.3Å
571	S	90.8	Very high	84.2	Confident	9 Å²	9	58 Å²	58	6%	0.063	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	161.2	-177.9	56.4	0	0	0	0	112.3	R569 K590	R569-S571 WeakPolarHBondContact CD-OG 3.41Å; R569-S571 PolarHBondContact NE-O 2.93Å; R569-S571 PolarHBondContact O-N 3.21Å; S571-K590 CarbonylContact C-O 3.14Å; S571-K590 VanDerWaalsContact CA-O 3.26Å; S571-K590 WeakPolarHBondContact CA-O 3.28Å; S571-K590 WeakPolarHBondContact CB-O 3.48Å
572	M	91.2	Very high	83.4	Confident	27 Å²	27	59.8 Å²	59.8	13%	0.133	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	134.5	-179.9	178.8	-178.6	-171.6	0	0	108	N508 V562 Y563 F565 K590	N508-M572 PolarHBondContact ND2-O 2.86Å; V562-M572 HydrophobicContact CG1-CE 4.29Å; Y563-M572 WeakPolarHBondContact O-CA 3.36Å; Y563-M572 WeakPolarHBondContact O-CG 3.47Å; F565-M572 HydrophobicContact CB-CB 4.32Å; M572-K590 HydrophobicContact CB-CG 4.39Å; M572-K590 PolarHBondContact N-O 3.03Å; M572-K590 PolarHBondContact O-N 3.08Å
573	S	93.6	Very high	83.1	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	144.9	-174.6	-57.8	0	0	0	0	112.2	N508 Y563 F588 T589 L671	N508-S573 WeakPolarHBondContact OD1-CA 3.38Å; Y563-S573 WeakPolarHBondContact CA-O 3.42Å; Y563-S573 PolarHBondContact N-O 2.92Å; Y563-S573 PolarHBondContact O-N 3.1Å; S573-F588 CarbonylContact C-O 3.43Å; S573-F588 WeakPolarHBondContact CA-O 3.46Å; S573-F588 WeakPolarHBondContact CB-O 3.44Å; S573-T589 WeakPolarHBondContact OG-CB 3.36Å; S573-T589 WeakPolarHBondContact OG-CG2 3.38Å; S573-T589 PolarHBondContact OG-OG1 2.94Å; S573-L671 WeakPolarHBondContact OG-CD2 3.13Å
574	T	92.9	Very high	83.1	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.012	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	131.5	-177.5	-62.7	0	0	0	0	109.8	I507 N508 L559 V562 F588	I507-T574 HydrophobicContact CG2-CG2 3.94Å; N508-T574 WeakPolarHBondContact OD1-CB 3.24Å; N508-T574 PolarHBondContact OD1-N 3.21Å; N508-T574 PolarHBondContact OD1-OG1 3.43Å; L559-T574 HydrophobicContact CD1-CG2 4.31Å; L559-T574 HydrophobicContact CD2-CG2 3.98Å; L559-T574 HydrophobicContact CG-CG2 4.5Å; V562-T574 HydrophobicContact CG2-CG2 4.14Å; T574-F588 PolarHBondContact N-O 3.15Å; T574-F588 PolarHBondContact O-N 2.85Å
575	V	92.5	Very high	83.3	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	128.5	176.9	-177.8	0	0	0	0	109.3	Y560 K561 Y563 F585 L587 W664	Y560-V575 HydrophobicContact CD1-CG1 4.05Å; Y560-V575 HydrophobicContact CG-CG1 4.44Å; Y560-V575 PolarHBondContact N-O 2.72Å; K561-V575 HydrophobicContact CB-CB 4.07Å; K561-V575 HydrophobicContact CB-CG2 4.08Å; K561-V575 PolarHBondContact O-N 3.41Å; Y563-V575 HydrophobicContact CE2-CG2 4Å; V575-F585 HydrophobicContact CG1-CB 4.38Å; V575-F585 HydrophobicContact CG1-CD1 3.87Å; V575-L587 HydrophobicContact CG2-CD1 3.66Å; V575-W664 HydrophobicContact CB-CZ3 4.33Å; V575-W664 HydrophobicContact CG1-CE3 4.47Å; V575-W664 HydrophobicContact CG1-CH2 3.71Å; V575-W664 HydrophobicContact CG1-CZ2 4.47Å; V575-W664 HydrophobicContact CG1-CZ3 3.72Å; V575-W664 HydrophobicContact CG2-CE3 4.06Å; V575-W664 HydrophobicContact CG2-CH2 4.5Å; V575-W664 HydrophobicContact CG2-CZ3 3.67Å
576	I	91.7	Very high	83.7	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.015	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	154.2	165.1	59.9	170.2	0	0	0	110.8	M503 I507 W554 L559 F585 L586 F588	M503-I576 HydrophobicContact SD-CD1 4.19Å; I507-I576 HydrophobicContact CD1-CD1 3.92Å; I507-I576 HydrophobicContact CD1-CG2 4.5Å; I507-I576 HydrophobicContact CG2-CG2 3.73Å; W554-I576 HydrophobicContact CD2-CD1 4.45Å; W554-I576 HydrophobicContact CE3-CB 4.22Å; W554-I576 HydrophobicContact CE3-CD1 4.31Å; W554-I576 HydrophobicContact CE3-CG2 4.11Å; W554-I576 HydrophobicContact CH2-CB 4.49Å; W554-I576 HydrophobicContact CH2-CD1 4.03Å; W554-I576 HydrophobicContact CZ2-CD1 4.16Å; W554-I576 HydrophobicContact CZ3-CB 3.9Å; W554-I576 HydrophobicContact CZ3-CD1 4.11Å; W554-I576 HydrophobicContact CZ3-CG2 4.3Å; L559-I576 HydrophobicContact CD2-CG2 3.91Å; I576-F585 WeakPolarHBondContact O-CA 3.3Å; I576-L586 HydrophobicContact CD1-CB 4.38Å; I576-L586 HydrophobicContact CG1-CB 3.86Å; I576-L586 PolarHBondContact N-O 3.05Å; I576-L586 PolarHBondContact O-N 2.9Å; I576-F588 HydrophobicContact CD1-CE2 3.83Å; I576-F588 HydrophobicContact CG1-CE2 4.32Å
577	K	87.4	Confident	84.5	Confident	68 Å²	68	48.9 Å²	48.9	30%	0.296	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.5	173.6	-161	158.7	-171.6	162.4	0	108.3	W554 Y560 P582 F585 E661	W554-K577 VanDerWaalsContact CH2-O 3.28Å; W554-K577 WeakPolarHBondContact CH2-O 3.31Å; W554-K577 WeakPolarHBondContact CZ3-O 3.4Å; Y560-K577 HydrophobicContact CD2-CD 4.42Å; K577-P582 WeakPolarHBondContact CE-O 3.37Å; K577-P582 PolarHBondContact NZ-O 2.96Å; K577-F585 HydrophobicContact CB-CD1 4.24Å; K577-F585 HydrophobicContact CB-CE1 4.15Å; K577-F585 HydrophobicContact CD-CD1 4.49Å; K577-F585 HydrophobicContact CD-CE1 3.67Å; K577-F585 HydrophobicContact CD-CE2 4.48Å; K577-F585 HydrophobicContact CD-CZ 3.67Å; K577-F585 VanDerWaalsContact CE-CZ 3.44Å; K577-F585 HydrophobicContact CG-CD1 4.2Å; K577-F585 HydrophobicContact CG-CE1 3.86Å; K577-F585 HydrophobicContact CG-CZ 4.09Å; K577-E661 IonicContact NZ-OE1 3.8Å; K577-E661 PolarHBondContact NZ-OE1 2.92Å
578	E	80.4	Confident	85.6	Confident	50 Å²	50	44.2 Å²	44.2	23%	0.234	23%	0.232	C	C	.	.			trans	-68.3	129.7	-167.5	-165.3	169.9	-112.6	0	0	111.1	D580 N581 S584 K643	E578-D580 PolarHBondContact O-N 3.12Å; E578-N581 CarbonylContact O-C 3.48Å; E578-N581 PolarHBondContact O-N 2.76Å; E578-S584 VanDerWaalsContact CD-OG 3.23Å; E578-S584 PolarHBondContact N-O 2.92Å; E578-S584 VanDerWaalsContact OE2-CB 3.24Å; E578-S584 WeakPolarHBondContact OE2-CB 3.03Å; E578-S584 PolarHBondContact OE2-OG 3.11Å; E578-K643 IonicContact OE1-NZ 3.23Å; E578-K643 PolarHBondContact OE1-NZ 2.87Å; E578-K643 IonicContact OE2-NZ 3.4Å; E578-K643 PolarHBondContact OE2-NZ 2.94Å
579	S	72.8	Confident	86.5	Confident	79 Å²	79	37.4 Å²	37.4	55%	0.552	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-33.8	-170.9	-54.8	0	0	0	0	113.7	W554	W554-S579 VanDerWaalsContact CH2-OG 3.27Å; W554-S579 WeakPolarHBondContact CH2-OG 3.42Å; W554-S579 VanDerWaalsContact CZ2-OG 3.23Å; W554-S579 WeakPolarHBondContact CZ2-OG 3.46Å
580	D	71	Confident	87.1	Confident	153 Å²	153	35.7 Å²	35.7	82%	0.818	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-10.6	-175.2	-53	-28.8	0	0	0	112.8	E578	E578-D580 PolarHBondContact O-N 3.12Å
581	N	74.5	Confident	87.4	Confident	58 Å²	58	32.4 Å²	32.4	31%	0.31	18%	0.179	S	C	.	.			trans	-152.1	106	-177.9	-178.1	4.1	0	0	0	112.2	E578 M583 S584	E578-N581 CarbonylContact O-C 3.48Å; E578-N581 PolarHBondContact O-N 2.76Å; N581-M583 PolarHBondContact O-N 3.45Å; N581-M583 VanDerWaalsContact O-N 3.08Å; N581-M583 WeakPolarHBondContact OD1-CB 3.42Å; N581-M583 PolarHBondContact OD1-N 2.83Å; N581-S584 WeakPolarHBondContact O-CB 3.4Å; N581-S584 PolarHBondContact O-N 3.38Å
582	P	73.7	Confident	87.4	Confident	93 Å²	93	32.9 Å²	32.9	60%	0.604	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	1.1	178.3	31.1	-36.1	0	0	0	114.8	K577	K577-P582 WeakPolarHBondContact CE-O 3.37Å; K577-P582 PolarHBondContact NZ-O 2.96Å
583	M	80.2	Confident	87.5	Confident	98 Å²	98	31.6 Å²	31.6	48%	0.483	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	3.4	166.3	-62.2	-61.4	-162.9	0	0	113	N581 I646	N581-M583 PolarHBondContact O-N 3.45Å; N581-M583 VanDerWaalsContact O-N 3.08Å; N581-M583 WeakPolarHBondContact OD1-CB 3.42Å; N581-M583 PolarHBondContact OD1-N 2.83Å; M583-I646 HydrophobicContact CB-CB 4.2Å; M583-I646 PolarHBondContact O-N 3.4Å; M583-I646 HydrophobicContact SD-CB 4.21Å; M583-I646 HydrophobicContact SD-CG2 4.49Å
584	S	86.8	Confident	87.3	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134.8	-172.6	177.3	0	0	0	0	111.6	E578 N581 K643	E578-S584 VanDerWaalsContact CD-OG 3.23Å; E578-S584 PolarHBondContact N-O 2.92Å; E578-S584 VanDerWaalsContact OE2-CB 3.24Å; E578-S584 WeakPolarHBondContact OE2-CB 3.03Å; E578-S584 PolarHBondContact OE2-OG 3.11Å; N581-S584 WeakPolarHBondContact O-CB 3.4Å; N581-S584 PolarHBondContact O-N 3.38Å; S584-K643 WeakPolarHBondContact OG-CE 3.34Å; S584-K643 PolarHBondContact OG-NZ 2.9Å
585	F	90	Very high	87.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.2	-179.8	-66	-97.8	0	0	0	110.4	Y560 V575 I576 K577 I644 I646 E661 W664	Y560-F585 HydrophobicContact CD1-CE1 4.21Å; Y560-F585 AromaticContact CD2-CE1 3.77Å; Y560-F585 HydrophobicContact CD2-CE1 3.77Å; Y560-F585 HydrophobicContact CE1-CE1 4.23Å; Y560-F585 AromaticContact CE2-CE1 3.71Å; Y560-F585 HydrophobicContact CE2-CE1 3.71Å; Y560-F585 HydrophobicContact CE2-CZ 4.22Å; Y560-F585 HydrophobicContact CG-CE1 4.02Å; Y560-F585 AromaticContact CZ-CE1 3.97Å; V575-F585 HydrophobicContact CG1-CB 4.38Å; V575-F585 HydrophobicContact CG1-CD1 3.87Å; I576-F585 WeakPolarHBondContact O-CA 3.3Å; K577-F585 HydrophobicContact CB-CD1 4.24Å; K577-F585 HydrophobicContact CB-CE1 4.15Å; K577-F585 HydrophobicContact CD-CD1 4.49Å; K577-F585 HydrophobicContact CD-CE1 3.67Å; K577-F585 HydrophobicContact CD-CE2 4.48Å; K577-F585 HydrophobicContact CD-CZ 3.67Å; K577-F585 VanDerWaalsContact CE-CZ 3.44Å; K577-F585 HydrophobicContact CG-CD1 4.2Å; K577-F585 HydrophobicContact CG-CE1 3.86Å; K577-F585 HydrophobicContact CG-CZ 4.09Å; F585-I644 HydrophobicContact CB-CB 4.29Å; F585-I644 PolarHBondContact N-O 2.97Å; F585-I644 PolarHBondContact O-N 2.8Å; F585-I646 HydrophobicContact CD2-CD1 4.45Å; F585-I646 HydrophobicContact CE2-CD1 3.76Å; F585-I646 HydrophobicContact CE2-CG1 4.46Å; F585-E661 HydrophobicContact CE2-CG 4.13Å; F585-E661 HydrophobicContact CZ-CG 4.01Å; F585-E661 WeakPolarHBondContact CZ-OE1 3.47Å; F585-W664 HydrophobicContact CB-CH2 4.12Å; F585-W664 AromaticContact CD1-CH2 3.84Å; F585-W664 HydrophobicContact CD1-CH2 3.84Å; F585-W664 AromaticContact CD1-CZ2 3.75Å; F585-W664 HydrophobicContact CD1-CZ2 3.75Å; F585-W664 HydrophobicContact CD2-CZ2 4.4Å; F585-W664 HydrophobicContact CE1-CH2 4.35Å; F585-W664 AromaticContact CE1-CZ2 3.79Å; F585-W664 HydrophobicContact CE1-CZ2 3.79Å; F585-W664 HydrophobicContact CE2-CZ2 4.47Å; F585-W664 AromaticContact CG-CH2 3.95Å; F585-W664 HydrophobicContact CG-CH2 3.95Å; F585-W664 HydrophobicContact CG-CZ2 4.05Å; F585-W664 HydrophobicContact CZ-CZ2 4.14Å
586	L	91.4	Very high	87.3	Confident	12 Å²	12	37.6 Å²	37.6	6%	0.063	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	109.2	178.2	-152.9	64.1	0	0	0	108.8	I576 F588 Y641 K643	I576-L586 HydrophobicContact CD1-CB 4.38Å; I576-L586 HydrophobicContact CG1-CB 3.86Å; I576-L586 PolarHBondContact N-O 3.05Å; I576-L586 PolarHBondContact O-N 2.9Å; L586-F588 HydrophobicContact CD2-CE1 3.81Å; L586-F588 HydrophobicContact CD2-CE2 3.96Å; L586-F588 HydrophobicContact CD2-CZ 3.35Å; L586-F588 HydrophobicContact CG-CE1 4.13Å; L586-F588 HydrophobicContact CG-CE2 4.42Å; L586-F588 HydrophobicContact CG-CZ 4.01Å; L586-Y641 HydrophobicContact CD1-CD2 3.76Å; L586-Y641 HydrophobicContact CD1-CE2 4.18Å; L586-K643 HydrophobicContact CD1-CB 3.99Å; L586-K643 HydrophobicContact CD1-CG 4.32Å
587	L	94.2	Very high	87.4	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	111.6	173.7	174.2	68.1	0	0	0	107.9	Y563 V575 Y641 K642 L670 L671 L674	Y563-L587 HydrophobicContact CE2-CD1 4.34Å; V575-L587 HydrophobicContact CG2-CD1 3.66Å; L587-Y641 CarbonylContact O-C 3.53Å; L587-Y641 VanDerWaalsContact O-CA 3.22Å; L587-Y641 WeakPolarHBondContact O-CA 3.3Å; L587-K642 HydrophobicContact CB-CB 4.32Å; L587-K642 HydrophobicContact CD2-CB 4.29Å; L587-K642 HydrophobicContact CD2-CD 4.45Å; L587-K642 PolarHBondContact N-O 3Å; L587-K642 PolarHBondContact O-N 2.94Å; L587-L670 WeakPolarHBondContact CD2-O 3.33Å; L587-L671 HydrophobicContact CD2-CD2 4.4Å; L587-L674 HydrophobicContact CD2-CD2 4.27Å
588	F	95.9	Very high	87.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	135.2	171.4	-71.9	-52.4	0	0	0	110.3	M503 N504 I507 N508 S573 T574 I576 L586	M503-F588 HydrophobicContact CB-CE2 4.43Å; M503-F588 HydrophobicContact CB-CZ 3.98Å; M503-F588 HydrophobicContact CG-CE2 3.69Å; M503-F588 HydrophobicContact CG-CZ 3.63Å; M503-F588 HydrophobicContact SD-CE2 4.03Å; M503-F588 HydrophobicContact SD-CZ 3.8Å; N504-F588 HydrophobicContact CB-CB 4.27Å; N504-F588 HydrophobicContact CB-CD1 3.43Å; N504-F588 VanDerWaalsContact CB-CD1 3.43Å; N504-F588 HydrophobicContact CB-CE1 3.76Å; N504-F588 HydrophobicContact CB-CG 3.86Å; N504-F588 HydrophobicContact CB-CZ 4.44Å; N504-F588 WeakPolarHBondContact ND2-CD1 3.26Å; I507-F588 HydrophobicContact CD1-CE2 4.4Å; N508-F588 HydrophobicContact CB-CB 3.87Å; N508-F588 PolarHBondContact ND2-O 2.83Å; S573-F588 CarbonylContact C-O 3.43Å; S573-F588 WeakPolarHBondContact CA-O 3.46Å; S573-F588 WeakPolarHBondContact CB-O 3.44Å; T574-F588 PolarHBondContact N-O 3.15Å; T574-F588 PolarHBondContact O-N 2.85Å; I576-F588 HydrophobicContact CD1-CE2 3.83Å; I576-F588 HydrophobicContact CG1-CE2 4.32Å; L586-F588 HydrophobicContact CD2-CE1 3.81Å; L586-F588 HydrophobicContact CD2-CE2 3.96Å; L586-F588 HydrophobicContact CD2-CZ 3.35Å; L586-F588 HydrophobicContact CG-CE1 4.13Å; L586-F588 HydrophobicContact CG-CE2 4.42Å; L586-F588 HydrophobicContact CG-CZ 4.01Å
589	T	95.5	Very high	88.2	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.1	178.7	-62.5	0	0	0	0	110.8	N504 S573 V596 A640 L671 L674	N504-T589 PolarHBondContact ND2-O 3.37Å; S573-T589 WeakPolarHBondContact OG-CB 3.36Å; S573-T589 WeakPolarHBondContact OG-CG2 3.38Å; S573-T589 PolarHBondContact OG-OG1 2.94Å; T589-V596 HydrophobicContact CG2-CG2 4.45Å; T589-A640 PolarHBondContact N-O 3.24Å; T589-A640 PolarHBondContact O-N 3.32Å; T589-L671 HydrophobicContact CG2-CD2 4.44Å; T589-L674 HydrophobicContact CG2-CD1 3.91Å
590	K	95.5	Very high	89.2	Confident	17 Å²	17	37.5 Å²	37.5	7%	0.074	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	151	168	75.5	-174.3	-177.5	-169.9	0	110	N508 S509 E533 L536 S571 M572 G638	N508-K590 PolarHBondContact ND2-N 3.36Å; N508-K590 VanDerWaalsContact O-CD 3.29Å; N508-K590 WeakPolarHBondContact O-CD 3.21Å; N508-K590 WeakPolarHBondContact O-CE 3.39Å; N508-K590 PolarHBondContact O-NZ 3.32Å; S509-K590 PolarHBondContact OG-NZ 2.75Å; E533-K590 IonicContact OE1-NZ 3.15Å; E533-K590 PolarHBondContact OE1-NZ 2.89Å; L536-K590 HydrophobicContact CD1-CD 4.16Å; S571-K590 CarbonylContact C-O 3.14Å; S571-K590 VanDerWaalsContact CA-O 3.26Å; S571-K590 WeakPolarHBondContact CA-O 3.28Å; S571-K590 WeakPolarHBondContact CB-O 3.48Å; M572-K590 HydrophobicContact CB-CG 4.39Å; M572-K590 PolarHBondContact N-O 3.03Å; M572-K590 PolarHBondContact O-N 3.08Å; K590-G638 WeakPolarHBondContact CA-O 3.39Å
591	G	93.4	Very high	90.3	Very high	8 Å²	8	33 Å²	33	8%	0.082	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179	-171.3	179.6	0	0	0	0	0	113.8	K570 S593 I637 G638	K570-G591 VanDerWaalsContact O-CA 3.24Å; K570-G591 WeakPolarHBondContact O-CA 3.25Å; G591-S593 PolarHBondContact O-N 3.11Å; G591-I637 CarbonylContact O-C 3.47Å; G591-I637 WeakPolarHBondContact O-CA 3.26Å; G591-G638 PolarHBondContact N-O 3.5Å; G591-G638 VanDerWaalsContact N-O 3.11Å; G591-G638 PolarHBondContact O-N 2.85Å
592	A	91.4	Very high	91.2	Very high	19 Å²	19	33.3 Å²	33.3	16%	0.157	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	128.1	170.2	0	0	0	0	0	109.5	K570 E594 M595 V596	K570-A592 HydrophobicContact CB-CB 3.78Å; K570-A592 HydrophobicContact CD-CB 3.77Å; K570-A592 HydrophobicContact CG-CB 4.49Å; K570-A592 PolarHBondContact O-N 3.18Å; A592-E594 VanDerWaalsContact C-N 3.25Å; A592-E594 WeakPolarHBondContact CB-OE1 3.19Å; A592-E594 VanDerWaalsContact CB-OE2 3.24Å; A592-E594 WeakPolarHBondContact CB-OE2 3.2Å; A592-E594 PolarHBondContact O-N 3.29Å; A592-M595 HydrophobicContact CB-CG 4.36Å; A592-M595 PolarHBondContact O-N 2.99Å; A592-V596 PolarHBondContact O-N 3.38Å; A592-V596 VanDerWaalsContact O-N 3.08Å
593	S	93.2	Very high	92.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59	-35.8	-168.3	58.1	0	0	0	0	113.3	G591 M595 V596 V597 I626 T636	G591-S593 PolarHBondContact O-N 3.11Å; S593-M595 PolarHBondContact O-N 2.91Å; S593-V596 PolarHBondContact O-N 3.25Å; S593-V597 VanDerWaalsContact O-CB 3.28Å; S593-V597 WeakPolarHBondContact O-CB 3.09Å; S593-V597 VanDerWaalsContact O-CG2 3.27Å; S593-V597 WeakPolarHBondContact O-CG2 3.33Å; S593-V597 PolarHBondContact O-N 3.49Å; S593-I626 WeakPolarHBondContact OG-CG2 3.28Å; S593-T636 PolarHBondContact N-O 3.16Å; S593-T636 WeakPolarHBondContact OG-CB 3.33Å; S593-T636 PolarHBondContact OG-OG1 3.36Å
594	E	89.1	Confident	92.6	Very high	66 Å²	66	24.7 Å²	24.7	31%	0.308	13%	0.128	S	C	.	.	H	α-helix	trans	-68.4	-16.9	179.4	80.3	-72.9	-177.8	0	0	114	K570 A592 K598	K570-E594 IonicContact NZ-OE1 3.17Å; K570-E594 PolarHBondContact NZ-OE1 3.14Å; A592-E594 VanDerWaalsContact C-N 3.25Å; A592-E594 WeakPolarHBondContact CB-OE1 3.19Å; A592-E594 VanDerWaalsContact CB-OE2 3.24Å; A592-E594 WeakPolarHBondContact CB-OE2 3.2Å; A592-E594 PolarHBondContact O-N 3.29Å; E594-K598 WeakPolarHBondContact O-CD 3.39Å; E594-K598 WeakPolarHBondContact O-CE 3.27Å; E594-K598 WeakPolarHBondContact O-CG 3.35Å
595	M	91.1	Very high	92.4	Very high	60 Å²	60	25.8 Å²	25.8	30%	0.296	13%	0.134	S	C	.	.	H	α-helix	trans	-93.3	-50	172.6	-57.6	-58.7	-63.3	0	0	110.4	K570 A592 S593 V597 K598 C599	K570-M595 HydrophobicContact CB-CG 4.14Å; K570-M595 HydrophobicContact CD-CG 3.85Å; K570-M595 HydrophobicContact CG-CG 4.3Å; A592-M595 HydrophobicContact CB-CG 4.36Å; A592-M595 PolarHBondContact O-N 2.99Å; S593-M595 PolarHBondContact O-N 2.91Å; M595-V597 VanDerWaalsContact C-N 3.32Å; M595-V597 PolarHBondContact O-N 3.31Å; M595-K598 PolarHBondContact O-N 2.86Å; M595-C599 PolarHBondContact O-N 3.04Å; M595-C599 PolarHBondContact O-SG 3.41Å
596	V	93.9	Very high	91.9	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.012	16%	0.158	C	C	.	.	H	α-helix	trans	-61.5	-39.3	-177.4	178.3	0	0	0	0	111.7	T589 A592 S593 K598 C599 C600 A640 L676	T589-V596 HydrophobicContact CG2-CG2 4.45Å; A592-V596 PolarHBondContact O-N 3.38Å; A592-V596 VanDerWaalsContact O-N 3.08Å; S593-V596 PolarHBondContact O-N 3.25Å; V596-K598 VanDerWaalsContact C-N 3.33Å; V596-K598 PolarHBondContact O-N 2.96Å; V596-C599 PolarHBondContact O-N 2.85Å; V596-C600 PolarHBondContact O-N 3.19Å; V596-C600 PolarHBondContact O-SG 2.81Å; V596-A640 HydrophobicContact CG1-CB 3.66Å; V596-L676 HydrophobicContact CG1-CD1 4.25Å
597	V	94.2	Very high	91.2	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.012	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-39.8	177.6	163.1	0	0	0	0	112.1	S593 M595 C599 C600 F613 Q618 L621 I626 L676 I679	S593-V597 VanDerWaalsContact O-CB 3.28Å; S593-V597 WeakPolarHBondContact O-CB 3.09Å; S593-V597 VanDerWaalsContact O-CG2 3.27Å; S593-V597 WeakPolarHBondContact O-CG2 3.33Å; S593-V597 PolarHBondContact O-N 3.49Å; M595-V597 VanDerWaalsContact C-N 3.32Å; M595-V597 PolarHBondContact O-N 3.31Å; V597-C599 VanDerWaalsContact C-N 3.33Å; V597-C599 PolarHBondContact O-N 3.11Å; V597-C600 WeakPolarHBondContact O-CB 3.43Å; V597-C600 PolarHBondContact O-N 3.2Å; V597-C600 VanDerWaalsContact O-N 3.11Å; V597-F613 HydrophobicContact CG1-CE1 3.96Å; V597-F613 HydrophobicContact CG1-CZ 3.93Å; V597-Q618 HydrophobicContact CG1-CB 3.75Å; V597-Q618 HydrophobicContact CG1-CG 3.8Å; V597-Q618 PolarHBondContact O-NE2 2.93Å; V597-L621 HydrophobicContact CG2-CD2 4.06Å; V597-I626 HydrophobicContact CG2-CD1 4.08Å; V597-L676 HydrophobicContact CG2-CD1 4.31Å; V597-L676 HydrophobicContact CG2-CD2 4.15Å; V597-I679 HydrophobicContact CG2-CD1 4.34Å
598	K	91.8	Very high	90.3	Very high	150 Å²	150	38.8 Å²	38.8	65%	0.652	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-33.5	178.5	-65.7	-179.6	-178.2	-172	0	112.6	E594 M595 V596 C600	E594-K598 WeakPolarHBondContact O-CD 3.39Å; E594-K598 WeakPolarHBondContact O-CE 3.27Å; E594-K598 WeakPolarHBondContact O-CG 3.35Å; M595-K598 PolarHBondContact O-N 2.86Å; V596-K598 VanDerWaalsContact C-N 3.33Å; V596-K598 PolarHBondContact O-N 2.96Å; K598-C600 PolarHBondContact O-N 3.37Å
599	C	92.5	Very high	89.7	Confident	46 Å²	46	45 Å²	45	31%	0.311	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-9	173.7	-62.7	0	0	0	0	113.7	M595 V596 V597 L671 G673 L674	M595-C599 PolarHBondContact O-N 3.04Å; M595-C599 PolarHBondContact O-SG 3.41Å; V596-C599 PolarHBondContact O-N 2.85Å; V597-C599 VanDerWaalsContact C-N 3.33Å; V597-C599 PolarHBondContact O-N 3.11Å; C599-L671 WeakPolarHBondContact CB-O 3.33Å; C599-G673 PolarHBondContact O-N 3.38Å; C599-L674 HydrophobicContact CB-CD1 3.78Å; C599-L674 HydrophobicContact CB-CG 4.25Å; C599-L674 WeakPolarHBondContact O-CB 3.44Å; C599-L674 PolarHBondContact O-N 2.75Å
600	C	94.4	Very high	89.3	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	120.6	-177.3	-66.2	0	0	0	0	112.5	V596 V597 K598 F613 Q618 L674 L676	V596-C600 PolarHBondContact O-N 3.19Å; V596-C600 PolarHBondContact O-SG 2.81Å; V597-C600 WeakPolarHBondContact O-CB 3.43Å; V597-C600 PolarHBondContact O-N 3.2Å; V597-C600 VanDerWaalsContact O-N 3.11Å; K598-C600 PolarHBondContact O-N 3.37Å; C600-F613 HydrophobicContact CB-CD1 3.76Å; C600-F613 HydrophobicContact CB-CE1 4Å; C600-F613 WeakPolarHBondContact O-CD1 3.25Å; C600-Q618 PolarHBondContact O-NE2 3.14Å; C600-L674 CarbonylContact C-O 3.59Å; C600-L674 WeakPolarHBondContact CA-O 3.14Å; C600-L674 HydrophobicContact CB-CB 4.5Å; C600-L676 HydrophobicContact CB-CB 4.14Å
601	S	93.6	Very high	89	Confident	60 Å²	60	48.9 Å²	48.9	42%	0.42	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-6.8	169	-55.1	0	0	0	0	113	F613 L674	S601-F613 PolarHBondContact O-N 2.94Å; S601-L674 PolarHBondContact N-O 3.5Å
602	W	94	Very high	88.9	Confident	63 Å²	63	52.9 Å²	52.9	24%	0.239	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	157.2	178.8	-57.9	93.1	0	0	0	111.5	P610 R611 P612 P653 N654 L674 T675 L676	W602-P610 HydrophobicContact CB-CB 4.47Å; W602-P610 HydrophobicContact CE3-CB 3.97Å; W602-R611 WeakPolarHBondContact CA-O 3.41Å; W602-P612 HydrophobicContact CE3-CG 4.44Å; W602-P612 HydrophobicContact CZ3-CG 3.93Å; W602-P653 HydrophobicContact CH2-CB 4.01Å; W602-P653 HydrophobicContact CH2-CG 4.38Å; W602-P653 WeakPolarHBondContact CZ2-O 3.47Å; W602-P653 HydrophobicContact CZ3-CB 4.39Å; W602-P653 HydrophobicContact CZ3-CG 4.26Å; W602-N654 HydrophobicContact CB-CB 4.23Å; W602-N654 HydrophobicContact CD2-CB 3.74Å; W602-N654 HydrophobicContact CE3-CB 4.34Å; W602-N654 HydrophobicContact CG-CB 3.65Å; W602-L674 PolarHBondContact N-O 3.43Å; W602-L674 VanDerWaalsContact N-O 3.14Å; W602-T675 HydrophobicContact CB-CG2 3.88Å; W602-T675 CarbonylContact O-C 3.6Å; W602-T675 WeakPolarHBondContact O-CA 3.36Å; W602-L676 PolarHBondContact O-N 3.18Å
603	M	92.3	Very high	88.9	Confident	6 Å²	6	52.4 Å²	52.4	3%	0.03	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	143.2	171.6	-179.5	-167.2	-76.1	0	0	109.7	F478 P610 R611 F613 L621 L676	F478-M603 HydrophobicContact CE1-CE 4.29Å; F478-M603 HydrophobicContact CE1-SD 4.42Å; M603-P610 CarbonylContact O-C 3.53Å; M603-P610 WeakPolarHBondContact O-CA 3.21Å; M603-R611 HydrophobicContact CB-CG 4.31Å; M603-R611 PolarHBondContact N-O 2.88Å; M603-R611 WeakPolarHBondContact O-CG 3.4Å; M603-R611 PolarHBondContact O-N 3.27Å; M603-R611 PolarHBondContact SD-NH2 3.22Å; M603-F613 HydrophobicContact CB-CB 4.15Å; M603-F613 HydrophobicContact CB-CD1 4.46Å; M603-F613 HydrophobicContact CB-CD2 4.25Å; M603-F613 HydrophobicContact CB-CG 4.06Å; M603-F613 HydrophobicContact CE-CD2 3.71Å; M603-F613 HydrophobicContact CE-CE1 4.25Å; M603-F613 HydrophobicContact CE-CE2 3.24Å; M603-F613 HydrophobicContact CE-CG 4.41Å; M603-F613 HydrophobicContact CE-CZ 3.56Å; M603-L621 HydrophobicContact CE-CD2 3.7Å; M603-L676 HydrophobicContact CB-CB 4.42Å; M603-L676 HydrophobicContact CE-CD2 3.83Å; M603-L676 HydrophobicContact CG-CB 4.37Å
604	M	89.5	Confident	88.9	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.02	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	130.5	173.4	-58.4	-57.9	-80.8	0	0	112.1	I497 N608 P610 Y641 T675 L676 L677	I497-M604 HydrophobicContact CD1-CB 4.23Å; M604-N608 HydrophobicContact CE-CB 4.34Å; M604-N608 WeakPolarHBondContact CE-O 3.39Å; M604-N608 VanDerWaalsContact CE-OD1 3.31Å; M604-N608 WeakPolarHBondContact CE-OD1 3.3Å; M604-P610 HydrophobicContact SD-CB 4.06Å; M604-Y641 HydrophobicContact SD-CE1 4.34Å; M604-T675 HydrophobicContact CG-CG2 3.94Å; M604-T675 HydrophobicContact SD-CG2 3.71Å; M604-L676 PolarHBondContact N-O 3.24Å; M604-L676 VanDerWaalsContact N-O 3.1Å; M604-L677 HydrophobicContact CG-CD2 3.83Å
605	D	83.1	Confident	89	Confident	24 Å²	24	57.7 Å²	57.7	13%	0.128	29%	0.289	C	S	.	.			trans	-80.5	176	169.4	76.8	3.5	0	0	0	112.6	I497 Q607 N608 R609	I497-D605 WeakPolarHBondContact CD1-O 3.31Å; D605-Q607 PolarHBondContact O-N 3.39Å; D605-Q607 VanDerWaalsContact O-N 3.1Å; D605-Q607 VanDerWaalsContact OD1-CA 3.28Å; D605-Q607 WeakPolarHBondContact OD1-CA 3.41Å; D605-Q607 PolarHBondContact OD1-N 3.12Å; D605-N608 PolarHBondContact O-N 3.26Å; D605-N608 PolarHBondContact OD1-N 2.97Å; D605-N608 VanDerWaalsContact OD1-N 3.1Å; D605-R609 PolarHBondContact N-O 3.23Å; D605-R609 PolarHBondContact OD1-N 2.95Å; D605-R609 IonicContact OD1-NE 2.66Å; D605-R609 IonicContact OD2-CZ 3.27Å; D605-R609 VanDerWaalsContact OD2-CZ 3.25Å; D605-R609 IonicContact OD2-NE 2.71Å; D605-R609 PolarHBondContact OD2-NE 3.33Å; D605-R609 IonicContact OD2-NH2 2.75Å; D605-R609 PolarHBondContact OD2-NH2 2.95Å
606	E	79.1	Confident	89	Confident	105 Å²	105	62 Å²	62	49%	0.491	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-17	176.6	-68.7	-176.7	152.2	0	0	114	G480 P494	G480-E606 WeakPolarHBondContact O-CG 3.28Å; P494-E606 WeakPolarHBondContact CG-O 3.28Å
607	Q	78	Confident	88.9	Confident	129 Å²	129	64.5 Å²	64.5	60%	0.603	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	16.3	-173.8	-63.1	170.8	13.5	0	0	111.1	D605 R609	D605-Q607 PolarHBondContact O-N 3.39Å; D605-Q607 VanDerWaalsContact O-N 3.1Å; D605-Q607 VanDerWaalsContact OD1-CA 3.28Å; D605-Q607 WeakPolarHBondContact OD1-CA 3.41Å; D605-Q607 PolarHBondContact OD1-N 3.12Å; Q607-R609 VanDerWaalsContact C-N 3.27Å; Q607-R609 PolarHBondContact O-N 3.44Å
608	N	75.3	Confident	88.8	Confident	52 Å²	52	65.4 Å²	65.4	28%	0.278	33%	0.326	S	S	.	.	S	Bend	trans	56.5	36.3	-178.8	-168.3	80.6	0	0	0	113.4	S496 I497 M604 D605	S496-N608 WeakPolarHBondContact CB-OD1 3.25Å; S496-N608 VanDerWaalsContact OG-CB 3.25Å; S496-N608 WeakPolarHBondContact OG-CB 3.37Å; S496-N608 PolarHBondContact OG-OD1 2.96Å; I497-N608 HydrophobicContact CD1-CB 4.4Å; I497-N608 HydrophobicContact CG1-CB 4.07Å; I497-N608 VanDerWaalsContact CG1-OD1 3.23Å; I497-N608 WeakPolarHBondContact CG1-OD1 3.39Å; M604-N608 HydrophobicContact CE-CB 4.34Å; M604-N608 WeakPolarHBondContact CE-O 3.39Å; M604-N608 VanDerWaalsContact CE-OD1 3.31Å; M604-N608 WeakPolarHBondContact CE-OD1 3.3Å; D605-N608 PolarHBondContact O-N 3.26Å; D605-N608 PolarHBondContact OD1-N 2.97Å; D605-N608 VanDerWaalsContact OD1-N 3.1Å
609	R	83.3	Confident	88.9	Confident	131 Å²	131	63.9 Å²	63.9	49%	0.494	32%	0.321	S	S	.	.			trans	-106	135.3	169.9	-56.9	177.1	-59.9	-137.7	-7.4	110	D605 Q607 R611	D605-R609 PolarHBondContact N-O 3.23Å; D605-R609 PolarHBondContact OD1-N 2.95Å; D605-R609 IonicContact OD1-NE 2.66Å; D605-R609 IonicContact OD2-CZ 3.27Å; D605-R609 VanDerWaalsContact OD2-CZ 3.25Å; D605-R609 IonicContact OD2-NE 2.71Å; D605-R609 PolarHBondContact OD2-NE 3.33Å; D605-R609 IonicContact OD2-NH2 2.75Å; D605-R609 PolarHBondContact OD2-NH2 2.95Å; Q607-R609 VanDerWaalsContact C-N 3.27Å; Q607-R609 PolarHBondContact O-N 3.44Å; R609-R611 PolarHBondContact O-N 3.46Å
610	P	86.3	Confident	88.9	Confident	21 Å²	21	70.4 Å²	70.4	14%	0.136	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	114.3	168.5	30.8	-35.8	0	0	0	109.5	W602 M603 M604 P653 N654	W602-P610 HydrophobicContact CB-CB 4.47Å; W602-P610 HydrophobicContact CE3-CB 3.97Å; M603-P610 CarbonylContact O-C 3.53Å; M603-P610 WeakPolarHBondContact O-CA 3.21Å; M604-P610 HydrophobicContact SD-CB 4.06Å; P610-P653 HydrophobicContact CG-CG 3.78Å; P610-N654 HydrophobicContact CB-CB 3.91Å; P610-N654 HydrophobicContact CG-CB 4.22Å; P610-N654 WeakPolarHBondContact CG-OD1 3.38Å
611	R	90	Very high	88.8	Confident	79 Å²	79	71 Å²	71	30%	0.298	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	148.2	163.8	65.6	170.7	-177.9	-161.5	-0.5	110	N481 W602 M603 R609	N481-R611 PolarHBondContact OD1-NH2 3.37Å; W602-R611 WeakPolarHBondContact CA-O 3.41Å; M603-R611 HydrophobicContact CB-CG 4.31Å; M603-R611 PolarHBondContact N-O 2.88Å; M603-R611 WeakPolarHBondContact O-CG 3.4Å; M603-R611 PolarHBondContact O-N 3.27Å; M603-R611 PolarHBondContact SD-NH2 3.22Å; R609-R611 PolarHBondContact O-N 3.46Å
612	P	91.3	Very high	88.7	Confident	91 Å²	91	69.9 Å²	69.9	59%	0.591	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.3	143.1	163.7	-23.2	34.1	0	0	0	110.1	W602	W602-P612 HydrophobicContact CE3-CG 4.44Å; W602-P612 HydrophobicContact CZ3-CG 3.93Å
613	F	91.7	Very high	88.6	Confident	9 Å²	9	73.5 Å²	73.5	4%	0.039	35%	0.353	C	S	.	.			trans	-124.5	96.9	-176.8	-175.6	-141.4	0	0	0	108.1	V597 C600 S601 M603 D617 Q618 L621 L676	V597-F613 HydrophobicContact CG1-CE1 3.96Å; V597-F613 HydrophobicContact CG1-CZ 3.93Å; C600-F613 HydrophobicContact CB-CD1 3.76Å; C600-F613 HydrophobicContact CB-CE1 4Å; C600-F613 WeakPolarHBondContact O-CD1 3.25Å; S601-F613 PolarHBondContact O-N 2.94Å; M603-F613 HydrophobicContact CB-CB 4.15Å; M603-F613 HydrophobicContact CB-CD1 4.46Å; M603-F613 HydrophobicContact CB-CD2 4.25Å; M603-F613 HydrophobicContact CB-CG 4.06Å; M603-F613 HydrophobicContact CE-CD2 3.71Å; M603-F613 HydrophobicContact CE-CE1 4.25Å; M603-F613 HydrophobicContact CE-CE2 3.24Å; M603-F613 HydrophobicContact CE-CG 4.41Å; M603-F613 HydrophobicContact CE-CZ 3.56Å; F613-D617 HydrophobicContact CD2-CB 3.39Å; F613-D617 VanDerWaalsContact CE2-C 3.45Å; F613-D617 HydrophobicContact CE2-CB 3.55Å; F613-D617 WeakPolarHBondContact CE2-O 3.47Å; F613-Q618 HydrophobicContact CD1-CG 3.96Å; F613-Q618 HydrophobicContact CD2-CG 4.49Å; F613-Q618 HydrophobicContact CE1-CG 3.58Å; F613-Q618 HydrophobicContact CE2-CG 4.12Å; F613-Q618 HydrophobicContact CG-CG 4.39Å; F613-Q618 HydrophobicContact CZ-CB 4.2Å; F613-Q618 HydrophobicContact CZ-CG 3.65Å; F613-L621 HydrophobicContact CE2-CD2 4.29Å; F613-L621 HydrophobicContact CZ-CB 4.45Å; F613-L621 HydrophobicContact CZ-CD2 3.68Å; F613-L676 HydrophobicContact CE1-CD2 4.14Å; F613-L676 HydrophobicContact CZ-CD2 4.27Å
614	S	92.2	Very high	88.6	Confident	52 Å²	52	76.2 Å²	76.2	36%	0.364	38%	0.376	S	S	.	.			trans	-77.6	166.2	-173.6	74.8	0	0	0	0	112.1	Q616 D617 Q618	S614-Q616 PolarHBondContact O-N 2.95Å; S614-Q616 PolarHBondContact OG-N 3.29Å; S614-D617 VanDerWaalsContact CB-OD2 3.3Å; S614-D617 WeakPolarHBondContact CB-OD2 3.45Å; S614-D617 PolarHBondContact N-OD2 3.37Å; S614-D617 WeakPolarHBondContact O-CB 3.45Å; S614-D617 PolarHBondContact O-N 3.45Å; S614-D617 PolarHBondContact OG-N 2.88Å; S614-D617 PolarHBondContact OG-OD2 2.93Å; S614-Q618 WeakPolarHBondContact O-CG 3.31Å; S614-Q618 PolarHBondContact O-N 2.91Å
615	L	91.2	Very high	88.7	Confident	125 Å²	125	76.4 Å²	76.4	65%	0.654	38%	0.377	S	S	*	.	H	α-helix	trans	-55	-38.6	172.1	-75.8	162.9	0	0	0	112.1	D617 Q618 E619	L615-D617 VanDerWaalsContact C-N 3.34Å; L615-D617 PolarHBondContact O-N 2.9Å; L615-Q618 WeakPolarHBondContact O-CB 3.3Å; L615-Q618 PolarHBondContact O-N 3.46Å; L615-E619 WeakPolarHBondContact O-CB 3.21Å; L615-E619 WeakPolarHBondContact O-CG 3.43Å; L615-E619 PolarHBondContact O-N 2.88Å
616	Q	92.1	Very high	89.1	Confident	151 Å²	151	75.8 Å²	75.8	71%	0.706	37%	0.374	S	S	*	.	H	α-helix	trans	-66.8	-34.4	176	-67.7	-178.2	-9.6	0	0	112.4	S614 R620	S614-Q616 PolarHBondContact O-N 2.95Å; S614-Q616 PolarHBondContact OG-N 3.29Å; Q616-R620 WeakPolarHBondContact O-CB 3.44Å; Q616-R620 PolarHBondContact O-N 2.81Å
617	D	91.2	Very high	89.6	Confident	54 Å²	54	76.6 Å²	76.6	29%	0.289	38%	0.378	S	S	.	.	H	α-helix	trans	-71.1	-36.5	173.1	-60	-69.3	0	0	0	111.6	F613 S614 L615 L621	F613-D617 HydrophobicContact CD2-CB 3.39Å; F613-D617 VanDerWaalsContact CE2-C 3.45Å; F613-D617 HydrophobicContact CE2-CB 3.55Å; F613-D617 WeakPolarHBondContact CE2-O 3.47Å; S614-D617 VanDerWaalsContact CB-OD2 3.3Å; S614-D617 WeakPolarHBondContact CB-OD2 3.45Å; S614-D617 PolarHBondContact N-OD2 3.37Å; S614-D617 WeakPolarHBondContact O-CB 3.45Å; S614-D617 PolarHBondContact O-N 3.45Å; S614-D617 PolarHBondContact OG-N 2.88Å; S614-D617 PolarHBondContact OG-OD2 2.93Å; L615-D617 VanDerWaalsContact C-N 3.34Å; L615-D617 PolarHBondContact O-N 2.9Å; D617-L621 VanDerWaalsContact O-CB 3.22Å; D617-L621 WeakPolarHBondContact O-CB 3.24Å; D617-L621 PolarHBondContact O-N 2.86Å
618	Q	92.8	Very high	90.2	Very high	21 Å²	21	73 Å²	73	10%	0.098	37%	0.365	C	S	.	.	H	α-helix	trans	-64.4	-46.6	175.1	-69.2	-179.9	10.4	0	0	111.5	V597 C600 F613 S614 L615 L621 T622	V597-Q618 HydrophobicContact CG1-CB 3.75Å; V597-Q618 HydrophobicContact CG1-CG 3.8Å; V597-Q618 PolarHBondContact O-NE2 2.93Å; C600-Q618 PolarHBondContact O-NE2 3.14Å; F613-Q618 HydrophobicContact CD1-CG 3.96Å; F613-Q618 HydrophobicContact CD2-CG 4.49Å; F613-Q618 HydrophobicContact CE1-CG 3.58Å; F613-Q618 HydrophobicContact CE2-CG 4.12Å; F613-Q618 HydrophobicContact CG-CG 4.39Å; F613-Q618 HydrophobicContact CZ-CB 4.2Å; F613-Q618 HydrophobicContact CZ-CG 3.65Å; S614-Q618 WeakPolarHBondContact O-CG 3.31Å; S614-Q618 PolarHBondContact O-N 2.91Å; L615-Q618 WeakPolarHBondContact O-CB 3.3Å; L615-Q618 PolarHBondContact O-N 3.46Å; Q618-L621 PolarHBondContact O-N 2.89Å; Q618-T622 WeakPolarHBondContact O-CB 3.47Å; Q618-T622 PolarHBondContact O-N 3.43Å; Q618-T622 PolarHBondContact O-OG1 3.26Å
619	E	92.6	Very high	91	Very high	119 Å²	119	70.5 Å²	70.5	56%	0.556	35%	0.352	S	S	*	.	H	α-helix	trans	-61.8	-51.9	175.4	-72.7	170.7	160.2	0	0	110.4	L615 L621 T622 E623	L615-E619 WeakPolarHBondContact O-CB 3.21Å; L615-E619 WeakPolarHBondContact O-CG 3.43Å; L615-E619 PolarHBondContact O-N 2.88Å; E619-L621 VanDerWaalsContact C-N 3.32Å; E619-L621 PolarHBondContact O-N 3.05Å; E619-T622 WeakPolarHBondContact O-CA 3.35Å; E619-T622 VanDerWaalsContact O-CB 3.31Å; E619-T622 WeakPolarHBondContact O-CB 3.35Å; E619-T622 PolarHBondContact O-N 3.06Å; E619-E623 PolarHBondContact O-N 3.27Å
620	R	92.4	Very high	91	Very high	183 Å²	183	66 Å²	66	69%	0.691	34%	0.342	S	S	*	.	H	α-helix	trans	-59.7	-38.3	178.2	-174.8	178.4	-177.4	178	3.5	113.1	Q616 T622 A624	Q616-R620 WeakPolarHBondContact O-CB 3.44Å; Q616-R620 PolarHBondContact O-N 2.81Å; R620-T622 VanDerWaalsContact C-N 3.29Å; R620-A624 WeakPolarHBondContact O-CB 3.32Å; R620-A624 PolarHBondContact O-N 2.66Å
621	L	92.8	Very high	90.7	Very high	11 Å²	11	67.1 Å²	67.1	6%	0.058	36%	0.358	C	S	.	.	H	α-helix	trans	-66.6	-34.3	173.9	-178.1	65.9	0	0	0	111.7	F478 V597 M603 F613 D617 Q618 E619 V625 I626 L676 I679	F478-L621 HydrophobicContact CD1-CD1 3.82Å; F478-L621 HydrophobicContact CD2-CD1 4.41Å; F478-L621 HydrophobicContact CE1-CD1 3.42Å; F478-L621 VanDerWaalsContact CE1-CD1 3.42Å; F478-L621 HydrophobicContact CE2-CD1 4.06Å; F478-L621 HydrophobicContact CG-CD1 4.29Å; F478-L621 HydrophobicContact CZ-CD1 3.53Å; V597-L621 HydrophobicContact CG2-CD2 4.06Å; M603-L621 HydrophobicContact CE-CD2 3.7Å; F613-L621 HydrophobicContact CE2-CD2 4.29Å; F613-L621 HydrophobicContact CZ-CB 4.45Å; F613-L621 HydrophobicContact CZ-CD2 3.68Å; D617-L621 VanDerWaalsContact O-CB 3.22Å; D617-L621 WeakPolarHBondContact O-CB 3.24Å; D617-L621 PolarHBondContact O-N 2.86Å; Q618-L621 PolarHBondContact O-N 2.89Å; E619-L621 VanDerWaalsContact C-N 3.32Å; E619-L621 PolarHBondContact O-N 3.05Å; L621-V625 HydrophobicContact CD1-CB 4.06Å; L621-V625 HydrophobicContact CD1-CG2 3.84Å; L621-V625 WeakPolarHBondContact O-CB 3.36Å; L621-V625 PolarHBondContact O-N 2.91Å; L621-V625 VanDerWaalsContact O-N 3.13Å; L621-I626 PolarHBondContact O-N 3.35Å; L621-L676 HydrophobicContact CD2-CD2 3.6Å; L621-I679 HydrophobicContact CD1-CD1 4.2Å; L621-I679 HydrophobicContact CD2-CD1 3.7Å; L621-I679 HydrophobicContact CG-CD1 3.93Å
622	T	92.4	Very high	90.4	Very high	38 Å²	38	66.5 Å²	66.5	23%	0.233	36%	0.359	C	S	.	.	I	π-helix	trans	-67.3	-54.1	178.3	-56.8	0	0	0	0	110.3	Q618 E619 R620 I626 E627	Q618-T622 WeakPolarHBondContact O-CB 3.47Å; Q618-T622 PolarHBondContact O-N 3.43Å; Q618-T622 PolarHBondContact O-OG1 3.26Å; E619-T622 WeakPolarHBondContact O-CA 3.35Å; E619-T622 VanDerWaalsContact O-CB 3.31Å; E619-T622 WeakPolarHBondContact O-CB 3.35Å; E619-T622 PolarHBondContact O-N 3.06Å; R620-T622 VanDerWaalsContact C-N 3.29Å; T622-I626 HydrophobicContact CG2-CB 4.35Å; T622-I626 WeakPolarHBondContact O-CB 3.36Å; T622-I626 PolarHBondContact O-N 3.39Å; T622-I626 VanDerWaalsContact O-N 3.1Å; T622-E627 HydrophobicContact CG2-CG 4.32Å; T622-E627 PolarHBondContact O-N 3.19Å
623	E	91.6	Very high	89.9	Confident	139 Å²	139	62.3 Å²	62.3	65%	0.65	33%	0.332	S	S	*	.	I	π-helix	trans	-64.6	-42.6	178.5	-64.9	-176.5	160.1	0	0	113.3	E619 P628	E619-E623 PolarHBondContact O-N 3.27Å; E623-P628 WeakPolarHBondContact O-CD 3.17Å
624	A	91.5	Very high	89.8	Confident	62 Å²	62	62.2 Å²	62.2	51%	0.512	33%	0.332	S	S	.	.	I	π-helix	trans	-85.5	-16.6	-172.2	0	0	0	0	0	114.5	R620	R620-A624 WeakPolarHBondContact O-CB 3.32Å; R620-A624 PolarHBondContact O-N 2.66Å
625	V	92.4	Very high	89.5	Confident	9 Å²	9	66 Å²	66	6%	0.055	34%	0.338	C	S	.	.	I	π-helix	trans	-135.2	-52.5	-173.9	-174.1	0	0	0	0	112.9	F478 L621 M629	F478-V625 HydrophobicContact CB-CG1 3.84Å; F478-V625 HydrophobicContact CD2-CG1 4.09Å; F478-V625 HydrophobicContact CD2-CG2 3.82Å; F478-V625 HydrophobicContact CE2-CG2 3.98Å; F478-V625 HydrophobicContact CG-CG1 4.1Å; F478-V625 HydrophobicContact CG-CG2 4.48Å; L621-V625 HydrophobicContact CD1-CB 4.06Å; L621-V625 HydrophobicContact CD1-CG2 3.84Å; L621-V625 WeakPolarHBondContact O-CB 3.36Å; L621-V625 PolarHBondContact O-N 2.91Å; L621-V625 VanDerWaalsContact O-N 3.13Å; V625-M629 HydrophobicContact CG1-CE 3.75Å; V625-M629 HydrophobicContact CG1-SD 4.33Å; V625-M629 WeakPolarHBondContact O-CB 3.42Å; V625-M629 VanDerWaalsContact O-CG 3.29Å; V625-M629 WeakPolarHBondContact O-CG 3.28Å; V625-M629 PolarHBondContact O-N 2.92Å; V625-M629 VanDerWaalsContact O-N 3.08Å
626	I	91.7	Very high	89.6	Confident	10 Å²	10	60.7 Å²	60.7	5%	0.051	31%	0.311	C	S	.	.	I	π-helix	trans	-67.6	-49.4	-175	-63.1	174.2	0	0	0	110.9	S593 V597 L621 T622 M629 A630 T636 I679	S593-I626 WeakPolarHBondContact OG-CG2 3.28Å; V597-I626 HydrophobicContact CG2-CD1 4.08Å; L621-I626 PolarHBondContact O-N 3.35Å; T622-I626 HydrophobicContact CG2-CB 4.35Å; T622-I626 WeakPolarHBondContact O-CB 3.36Å; T622-I626 PolarHBondContact O-N 3.39Å; T622-I626 VanDerWaalsContact O-N 3.1Å; I626-M629 PolarHBondContact O-N 3.43Å; I626-A630 WeakPolarHBondContact O-CB 3.05Å; I626-A630 PolarHBondContact O-N 3.06Å; I626-T636 HydrophobicContact CG2-CG2 4.39Å; I626-I679 HydrophobicContact CD1-CD1 3.88Å; I626-I679 HydrophobicContact CG1-CD1 3.74Å
627	E	89.6	Confident	89.7	Confident	123 Å²	123	53.8 Å²	53.8	58%	0.575	28%	0.279	S	S	*	.	H	α-helix	trans	-66.2	-42.5	-178.9	-67	-165.7	155.7	0	0	113	T622 M629 A630 G631	T622-E627 HydrophobicContact CG2-CG 4.32Å; T622-E627 PolarHBondContact O-N 3.19Å; E627-M629 PolarHBondContact O-N 2.89Å; E627-A630 PolarHBondContact O-N 3.5Å; E627-G631 PolarHBondContact O-N 3.01Å
628	P	90.5	Very high	90	Very high	52 Å²	52	51.2 Å²	51.2	34%	0.338	27%	0.265	S	S	.	.	H	α-helix	trans	-58.6	-44.3	170.3	-30	37.1	0	0	0	113.6	E623 A630 G631 E632	E623-P628 WeakPolarHBondContact O-CD 3.17Å; P628-A630 PolarHBondContact O-N 3.41Å; P628-G631 PolarHBondContact O-N 2.98Å; P628-E632 PolarHBondContact O-N 2.71Å
629	M	90.7	Very high	90.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.1	-44.8	174.8	-76.3	-172.5	-174.9	0	0	111.4	Q476 F478 H483 V625 I626 E627 G631 E632 G633 L634 T636 I679	Q476-M629 HydrophobicContact CB-CE 3.98Å; F478-M629 HydrophobicContact CB-CE 4.46Å; H483-M629 VanDerWaalsContact CD2-CE 3.5Å; H483-M629 WeakPolarHBondContact CD2-CE 3.24Å; H483-M629 VanDerWaalsContact NE2-CE 3.31Å; H483-M629 WeakPolarHBondContact NE2-CE 3.34Å; V625-M629 HydrophobicContact CG1-CE 3.75Å; V625-M629 HydrophobicContact CG1-SD 4.33Å; V625-M629 WeakPolarHBondContact O-CB 3.42Å; V625-M629 VanDerWaalsContact O-CG 3.29Å; V625-M629 WeakPolarHBondContact O-CG 3.28Å; V625-M629 PolarHBondContact O-N 2.92Å; V625-M629 VanDerWaalsContact O-N 3.08Å; I626-M629 PolarHBondContact O-N 3.43Å; E627-M629 PolarHBondContact O-N 2.89Å; M629-G631 VanDerWaalsContact C-N 3.34Å; M629-G631 PolarHBondContact O-N 2.88Å; M629-E632 PolarHBondContact O-N 2.8Å; M629-G633 PolarHBondContact O-N 3.19Å; M629-L634 HydrophobicContact CB-CB 4.33Å; M629-L634 HydrophobicContact CB-CD1 4.11Å; M629-L634 HydrophobicContact CG-CD1 4.1Å; M629-L634 VanDerWaalsContact O-CB 3.27Å; M629-L634 WeakPolarHBondContact O-CB 3.41Å; M629-L634 WeakPolarHBondContact O-CG 3.38Å; M629-L634 PolarHBondContact O-N 2.99Å; M629-T636 HydrophobicContact CB-CG2 3.48Å; M629-T636 VanDerWaalsContact CB-CG2 3.48Å; M629-T636 HydrophobicContact CG-CG2 4.27Å; M629-T636 HydrophobicContact SD-CG2 3.82Å; M629-I679 HydrophobicContact SD-CG2 4.33Å
630	A	83.5	Confident	90.3	Very high	36 Å²	36	44.7 Å²	44.7	30%	0.298	23%	0.234	S	C	.	.	H	α-helix	trans	-68.5	-30.8	178	0	0	0	0	0	113.1	I626 E627 P628 G633	I626-A630 WeakPolarHBondContact O-CB 3.05Å; I626-A630 PolarHBondContact O-N 3.06Å; E627-A630 PolarHBondContact O-N 3.5Å; P628-A630 PolarHBondContact O-N 3.41Å; A630-G633 WeakPolarHBondContact O-CA 3.36Å; A630-G633 PolarHBondContact O-N 3Å; A630-G633 VanDerWaalsContact O-N 3.11Å
631	G	80.8	Confident	90.4	Very high	45 Å²	45	36.7 Å²	36.7	46%	0.464	21%	0.205	S	C	.	.	H	α-helix	trans	-71.1	-39	173.7	0	0	0	0	0	112.9	E627 P628 M629 G633	E627-G631 PolarHBondContact O-N 3.01Å; P628-G631 PolarHBondContact O-N 2.98Å; M629-G631 VanDerWaalsContact C-N 3.34Å; M629-G631 PolarHBondContact O-N 2.88Å; G631-G633 PolarHBondContact O-N 2.96Å
632	E	83.7	Confident	90.4	Very high	67 Å²	67	36.7 Å²	36.7	31%	0.313	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-6.8	166.5	-71	-175.5	-169.6	0	0	112.4	Q476 K485 P628 M629 L634 S717	Q476-E632 PolarHBondContact NE2-OE2 2.89Å; K485-E632 IonicContact NZ-OE1 3.62Å; K485-E632 PolarHBondContact NZ-OE1 3.49Å; P628-E632 PolarHBondContact O-N 2.71Å; M629-E632 PolarHBondContact O-N 2.8Å; E632-L634 HydrophobicContact CB-CG 4.48Å; E632-S717 WeakPolarHBondContact O-CB 3.15Å; E632-S717 PolarHBondContact O-OG 3.4Å
633	G	80.1	Confident	90.3	Very high	3 Å²	3	36.8 Å²	36.8	3%	0.031	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	2.1	173.7	0	0	0	0	0	114.9	M629 A630 G631 T714	M629-G633 PolarHBondContact O-N 3.19Å; A630-G633 WeakPolarHBondContact O-CA 3.36Å; A630-G633 PolarHBondContact O-N 3Å; A630-G633 VanDerWaalsContact O-N 3.11Å; G631-G633 PolarHBondContact O-N 2.96Å; G633-T714 WeakPolarHBondContact CA-OG1 3.33Å; G633-T714 VanDerWaalsContact O-CG2 3.29Å; G633-T714 WeakPolarHBondContact O-CG2 3.2Å; G633-T714 PolarHBondContact O-OG1 2.82Å
634	L	89.1	Confident	90.2	Very high	7 Å²	7	30.2 Å²	30.2	4%	0.037	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-72.2	144.6	-178.7	-47.3	179.8	0	0	0	110.9	Q476 M629 E632 E683	Q476-L634 HydrophobicContact CB-CD1 4.03Å; Q476-L634 HydrophobicContact CG-CD1 3.71Å; M629-L634 HydrophobicContact CB-CB 4.33Å; M629-L634 HydrophobicContact CB-CD1 4.11Å; M629-L634 HydrophobicContact CG-CD1 4.1Å; M629-L634 VanDerWaalsContact O-CB 3.27Å; M629-L634 WeakPolarHBondContact O-CB 3.41Å; M629-L634 WeakPolarHBondContact O-CG 3.38Å; M629-L634 PolarHBondContact O-N 2.99Å; E632-L634 HydrophobicContact CB-CG 4.48Å; L634-E683 HydrophobicContact CD2-CB 3.71Å; L634-E683 HydrophobicContact CD2-CG 3.76Å
635	R	87.6	Confident	89.9	Confident	131 Å²	131	27.4 Å²	27.4	49%	0.494	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	117.9	166.4	179.2	177.8	-176.2	172	1.9	108.7	I637 I682	R635-I637 HydrophobicContact CG-CD1 4.24Å; R635-I682 HydrophobicContact CB-CG1 4.05Å; R635-I682 HydrophobicContact CG-CG1 4.45Å; R635-I682 PolarHBondContact N-O 2.99Å; R635-I682 WeakPolarHBondContact O-CG1 3.26Å; R635-I682 PolarHBondContact O-N 3.13Å
636	T	92.6	Very high	89.3	Confident	13 Å²	13	28.3 Å²	28.3	8%	0.08	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	120.1	-177.2	46.8	0	0	0	0	111.7	S593 I626 M629 I679	S593-T636 PolarHBondContact N-O 3.16Å; S593-T636 WeakPolarHBondContact OG-CB 3.33Å; S593-T636 PolarHBondContact OG-OG1 3.36Å; I626-T636 HydrophobicContact CG2-CG2 4.39Å; M629-T636 HydrophobicContact CB-CG2 3.48Å; M629-T636 VanDerWaalsContact CB-CG2 3.48Å; M629-T636 HydrophobicContact CG-CG2 4.27Å; M629-T636 HydrophobicContact SD-CG2 3.82Å; T636-I679 HydrophobicContact CG2-CG2 4.27Å
637	I	95.1	Very high	88.3	Confident	7 Å²	7	29.8 Å²	29.8	4%	0.036	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	118.7	176.6	-55.9	-58.7	0	0	0	108.8	T532 L536 G591 R635 I639 I679 I680 I682	T532-I637 HydrophobicContact CG2-CD1 4.02Å; T532-I637 HydrophobicContact CG2-CG1 4.43Å; L536-I637 HydrophobicContact CD1-CG2 4.32Å; L536-I637 HydrophobicContact CD2-CG2 4.42Å; G591-I637 CarbonylContact O-C 3.47Å; G591-I637 WeakPolarHBondContact O-CA 3.26Å; R635-I637 HydrophobicContact CG-CD1 4.24Å; I637-I639 HydrophobicContact CG2-CG1 4.42Å; I637-I679 CarbonylContact O-C 3.55Å; I637-I679 WeakPolarHBondContact O-CA 3.45Å; I637-I680 PolarHBondContact N-O 2.84Å; I637-I680 PolarHBondContact O-N 3.39Å; I637-I682 HydrophobicContact CD1-CD1 4.47Å; I637-I682 HydrophobicContact CG1-CD1 3.99Å; I637-I682 HydrophobicContact CG1-CG1 4.21Å
638	G	96	Very high	86.9	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	138.9	170.5	0	0	0	0	0	110.7	K590 G591	K590-G638 WeakPolarHBondContact CA-O 3.39Å; G591-G638 PolarHBondContact N-O 3.5Å; G591-G638 VanDerWaalsContact N-O 3.11Å; G591-G638 PolarHBondContact O-N 2.85Å
639	I	96.4	Very high	85.5	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	123.8	177.4	-57.4	-176.5	0	0	0	108.5	N504 I505 L536 I637 L677 G678 I680	N504-I639 HydrophobicContact CB-CG2 4.19Å; N504-I639 VanDerWaalsContact ND2-CG2 3.32Å; N504-I639 WeakPolarHBondContact ND2-CG2 3.44Å; I505-I639 HydrophobicContact CD1-CD1 3.77Å; I505-I639 HydrophobicContact CG1-CD1 3.76Å; L536-I639 HydrophobicContact CD2-CD1 4.37Å; I637-I639 HydrophobicContact CG2-CG1 4.42Å; I639-L677 HydrophobicContact CG2-CD1 4.26Å; I639-L677 PolarHBondContact O-N 3.11Å; I639-G678 PolarHBondContact N-O 3.02Å; I639-G678 PolarHBondContact O-N 2.96Å; I639-I680 HydrophobicContact CD1-CD1 3.55Å; I639-I680 HydrophobicContact CD1-CG1 4.05Å
640	A	96	Very high	84.1	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	162.2	-175.9	0	0	0	0	0	111.5	N504 T589 V596 L674 T675	N504-A640 PolarHBondContact ND2-O 3.5Å; T589-A640 PolarHBondContact N-O 3.24Å; T589-A640 PolarHBondContact O-N 3.32Å; V596-A640 HydrophobicContact CG1-CB 3.66Å; A640-L674 HydrophobicContact CB-CB 4.06Å; A640-L674 HydrophobicContact CB-CD1 4.12Å; A640-T675 CarbonylContact C-O 3.06Å; A640-T675 WeakPolarHBondContact CA-O 3.42Å; A640-T675 WeakPolarHBondContact CB-O 3.41Å
641	Y	95	Very high	83.4	Confident	16 Å²	16	44.2 Å²	44.2	6%	0.063	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	164.1	173.8	85.9	-71.2	0	0	0	111.6	L500 L586 L587 M604 K643 N654 T675 L677	L500-Y641 HydrophobicContact CD1-CE1 4.2Å; L586-Y641 HydrophobicContact CD1-CD2 3.76Å; L586-Y641 HydrophobicContact CD1-CE2 4.18Å; L587-Y641 CarbonylContact O-C 3.53Å; L587-Y641 VanDerWaalsContact O-CA 3.22Å; L587-Y641 WeakPolarHBondContact O-CA 3.3Å; M604-Y641 HydrophobicContact SD-CE1 4.34Å; Y641-K643 HydrophobicContact CE2-CB 4.42Å; Y641-N654 PolarHBondContact OH-ND2 3.37Å; Y641-T675 HydrophobicContact CD1-CG2 4.23Å; Y641-T675 HydrophobicContact CE1-CG2 3.63Å; Y641-T675 PolarHBondContact N-O 2.64Å; Y641-T675 WeakPolarHBondContact O-CB 3.42Å; Y641-T675 PolarHBondContact O-N 3.32Å; Y641-L677 HydrophobicContact CD1-CD1 4.06Å; Y641-L677 HydrophobicContact CD1-CD2 3.56Å; Y641-L677 HydrophobicContact CD1-CG 3.78Å; Y641-L677 HydrophobicContact CE1-CD2 3.7Å; Y641-L677 HydrophobicContact CE1-CG 4.41Å
642	K	92.7	Very high	83.1	Confident	11 Å²	11	43.8 Å²	43.8	5%	0.048	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	131.7	169.7	-171.1	175.4	176.3	-176.6	0	107.9	L587 I644 M656 L670 E672 L674	L587-K642 HydrophobicContact CB-CB 4.32Å; L587-K642 HydrophobicContact CD2-CB 4.29Å; L587-K642 HydrophobicContact CD2-CD 4.45Å; L587-K642 PolarHBondContact N-O 3Å; L587-K642 PolarHBondContact O-N 2.94Å; K642-I644 HydrophobicContact CG-CG1 4.43Å; K642-M656 WeakPolarHBondContact CE-SD 3.18Å; K642-L670 WeakPolarHBondContact CD-O 3.21Å; K642-L670 PolarHBondContact NZ-O 2.88Å; K642-E672 WeakPolarHBondContact CE-O 3.25Å; K642-E672 PolarHBondContact NZ-O 3.26Å; K642-L674 HydrophobicContact CB-CD2 3.82Å; K642-L674 HydrophobicContact CD-CD2 4.09Å
643	K	90.3	Very high	82.9	Confident	40 Å²	40	45 Å²	45	17%	0.174	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	133.4	172.3	-178	160.6	179.9	144.1	0	108.4	E578 S584 L586 Y641 D655 M656	E578-K643 IonicContact OE1-NZ 3.23Å; E578-K643 PolarHBondContact OE1-NZ 2.87Å; E578-K643 IonicContact OE2-NZ 3.4Å; E578-K643 PolarHBondContact OE2-NZ 2.94Å; S584-K643 WeakPolarHBondContact OG-CE 3.34Å; S584-K643 PolarHBondContact OG-NZ 2.9Å; L586-K643 HydrophobicContact CD1-CB 3.99Å; L586-K643 HydrophobicContact CD1-CG 4.32Å; Y641-K643 HydrophobicContact CE2-CB 4.42Å; K643-D655 HydrophobicContact CB-CB 4.45Å; K643-D655 HydrophobicContact CG-CB 4.5Å; K643-M656 PolarHBondContact O-N 2.75Å
644	I	89.3	Confident	83.1	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	122.2	-179.1	-54.5	173.3	0	0	0	107.2	F585 K642 M656 V658 P662 W664 L670	F585-I644 HydrophobicContact CB-CB 4.29Å; F585-I644 PolarHBondContact N-O 2.97Å; F585-I644 PolarHBondContact O-N 2.8Å; K642-I644 HydrophobicContact CG-CG1 4.43Å; I644-M656 CarbonylContact C-O 3.49Å; I644-M656 WeakPolarHBondContact CA-O 3.45Å; I644-M656 HydrophobicContact CG1-CB 4.27Å; I644-M656 HydrophobicContact CG1-SD 4.39Å; I644-V658 HydrophobicContact CG2-CG1 4.35Å; I644-V658 HydrophobicContact CG2-CG2 3.63Å; I644-P662 HydrophobicContact CG2-CG 3.95Å; I644-W664 HydrophobicContact CD1-CH2 4.37Å; I644-W664 HydrophobicContact CD1-CZ3 4.36Å; I644-L670 HydrophobicContact CD1-CD2 3.82Å
645	T	85.4	Confident	82.9	Confident	4 Å²	4	45.6 Å²	45.6	3%	0.025	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	126	-172.6	-62.4	0	0	0	0	111.5	A647 M656 V658	T645-A647 HydrophobicContact CG2-CB 3.99Å; T645-A647 PolarHBondContact O-N 3.12Å; T645-M656 PolarHBondContact N-O 2.86Å; T645-V658 PolarHBondContact O-N 3.35Å; T645-V658 VanDerWaalsContact O-N 3.09Å
646	I	79.7	Confident	82.6	Confident	28 Å²	28	41.7 Å²	41.7	14%	0.144	23%	0.23	C	C	.	.	S	Bend	trans	-90.5	54.7	178.1	-43.3	173.1	0	0	0	109.6	M583 F585 V658 E661	M583-I646 HydrophobicContact CB-CB 4.2Å; M583-I646 PolarHBondContact O-N 3.4Å; M583-I646 HydrophobicContact SD-CB 4.21Å; M583-I646 HydrophobicContact SD-CG2 4.49Å; F585-I646 HydrophobicContact CD2-CD1 4.45Å; F585-I646 HydrophobicContact CE2-CD1 3.76Å; F585-I646 HydrophobicContact CE2-CG1 4.46Å; I646-V658 WeakPolarHBondContact CA-O 3.49Å; I646-V658 HydrophobicContact CG1-CG2 3.95Å; I646-E661 HydrophobicContact CD1-CB 4.23Å; I646-E661 HydrophobicContact CD1-CG 3.43Å; I646-E661 VanDerWaalsContact CD1-CG 3.43Å
647	A	70.8	Confident	82.1	Confident	41 Å²	41	45.4 Å²	45.4	34%	0.339	25%	0.249	S	C	.	.	S	Bend	trans	-162	153.8	177.5	0	0	0	0	0	110.5	T645 N649 I657	T645-A647 HydrophobicContact CG2-CB 3.99Å; T645-A647 PolarHBondContact O-N 3.12Å; A647-N649 PolarHBondContact O-N 2.79Å; A647-I657 WeakPolarHBondContact O-CG2 3.37Å
648	T	60.6	Low	81.5	Confident	126 Å²	126	46.4 Å²	46.4	77%	0.773	26%	0.255	S	S	*	.	S	Bend	trans	-68.3	-18.3	178.4	44.9	0	0	0	0	114.5	S650	T648-S650 PolarHBondContact O-N 2.83Å
649	N	59.5	Low	80.7	Confident	139 Å²	139	56.2 Å²	56.2	74%	0.743	30%	0.301	S	S	*	.			trans	-98.5	77.4	-175.9	-71.6	-9.3	0	0	0	112.1	A647	A647-N649 PolarHBondContact O-N 2.79Å
650	S	62.9	Low	79.9	Confident	40 Å²	40	59.8 Å²	59.8	28%	0.28	33%	0.326	S	S	.	.			trans	-64.9	153.1	159.1	166.6	0	0	0	0	111	T648 S652 D655	T648-S650 PolarHBondContact O-N 2.83Å; S650-S652 PolarHBondContact OG-N 3.37Å; S650-S652 PolarHBondContact OG-O 3.3Å; S650-D655 WeakPolarHBondContact OG-CB 3.28Å; S650-D655 PolarHBondContact OG-OD2 3.25Å
651	K	67.5	Low	79.1	Confident	209 Å²	209	63.5 Å²	63.5	91%	0.909	34%	0.343	S	S	*	.	S	Bend	trans	-104.6	-11.4	168.6	-69.8	-176.4	178.7	177.5	0	113.6
652	S	75.3	Confident	78.5	Confident	35 Å²	35	63.8 Å²	63.8	25%	0.245	35%	0.347	C	S	.	.	S	Bend	trans	-144.6	140.4	-170.1	22.8	0	0	0	0	112	S650 N654 D655	S650-S652 PolarHBondContact OG-N 3.37Å; S650-S652 PolarHBondContact OG-O 3.3Å; S652-N654 WeakPolarHBondContact CB-OD1 3.12Å; S652-N654 PolarHBondContact O-N 3.09Å; S652-N654 VanDerWaalsContact O-N 3.08Å; S652-D655 WeakPolarHBondContact CB-OD1 3.39Å; S652-D655 PolarHBondContact O-N 3.13Å; S652-D655 VanDerWaalsContact O-N 3.08Å; S652-D655 VanDerWaalsContact OG-CG 3.27Å; S652-D655 PolarHBondContact OG-OD1 2.81Å; S652-D655 PolarHBondContact OG-OD2 3.05Å
653	P	79.8	Confident	78.1	Confident	94 Å²	94	68.2 Å²	68.2	61%	0.61	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-6.2	-168.7	31.2	-37.7	0	0	0	114.3	W602 P610	W602-P653 HydrophobicContact CH2-CB 4.01Å; W602-P653 HydrophobicContact CH2-CG 4.38Å; W602-P653 WeakPolarHBondContact CZ2-O 3.47Å; W602-P653 HydrophobicContact CZ3-CB 4.39Å; W602-P653 HydrophobicContact CZ3-CG 4.26Å; P610-P653 HydrophobicContact CG-CG 3.78Å
654	N	84.3	Confident	77.8	Confident	6 Å²	6	67.4 Å²	67.4	3%	0.032	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	2.4	174.5	66.2	-36.4	0	0	0	113.9	W602 P610 Y641 S652 T675	W602-N654 HydrophobicContact CB-CB 4.23Å; W602-N654 HydrophobicContact CD2-CB 3.74Å; W602-N654 HydrophobicContact CE3-CB 4.34Å; W602-N654 HydrophobicContact CG-CB 3.65Å; P610-N654 HydrophobicContact CB-CB 3.91Å; P610-N654 HydrophobicContact CG-CB 4.22Å; P610-N654 WeakPolarHBondContact CG-OD1 3.38Å; Y641-N654 PolarHBondContact OH-ND2 3.37Å; S652-N654 WeakPolarHBondContact CB-OD1 3.12Å; S652-N654 PolarHBondContact O-N 3.09Å; S652-N654 VanDerWaalsContact O-N 3.08Å; N654-T675 PolarHBondContact ND2-OG1 2.84Å
655	D	83.2	Confident	77.5	Confident	16 Å²	16	73.4 Å²	73.4	9%	0.086	40%	0.399	C	S	.	.			trans	-75.3	127	172.8	-64.2	11.7	0	0	0	109.6	K643 S650 S652 I657	K643-D655 HydrophobicContact CB-CB 4.45Å; K643-D655 HydrophobicContact CG-CB 4.5Å; S650-D655 WeakPolarHBondContact OG-CB 3.28Å; S650-D655 PolarHBondContact OG-OD2 3.25Å; S652-D655 WeakPolarHBondContact CB-OD1 3.39Å; S652-D655 PolarHBondContact O-N 3.13Å; S652-D655 VanDerWaalsContact O-N 3.08Å; S652-D655 VanDerWaalsContact OG-CG 3.27Å; S652-D655 PolarHBondContact OG-OD1 2.81Å; S652-D655 PolarHBondContact OG-OD2 3.05Å; D655-I657 PolarHBondContact O-N 2.8Å
656	M	82.9	Confident	77.4	Confident	49 Å²	49	76.5 Å²	76.5	24%	0.241	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	110.4	172.9	-173.8	-176.3	-176.4	0	0	109.7	K642 K643 I644 T645 V658	K642-M656 WeakPolarHBondContact CE-SD 3.18Å; K643-M656 PolarHBondContact O-N 2.75Å; I644-M656 CarbonylContact C-O 3.49Å; I644-M656 WeakPolarHBondContact CA-O 3.45Å; I644-M656 HydrophobicContact CG1-CB 4.27Å; I644-M656 HydrophobicContact CG1-SD 4.39Å; T645-M656 PolarHBondContact N-O 2.86Å; M656-V658 HydrophobicContact CE-CG1 3.96Å; M656-V658 HydrophobicContact CG-CG1 4.21Å; M656-V658 HydrophobicContact SD-CG1 4.4Å
657	I	81.8	Confident	77.5	Confident	91 Å²	91	76.7 Å²	76.7	47%	0.467	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	129	173.9	-59.6	175.3	0	0	0	109.2	A647 D655	A647-I657 WeakPolarHBondContact O-CG2 3.37Å; D655-I657 PolarHBondContact O-N 2.8Å
658	V	82.8	Confident	78	Confident	27 Å²	27	82.6 Å²	82.6	16%	0.164	44%	0.437	C	S	.	.			trans	-132.4	153.9	178	-72.4	0	0	0	0	110.8	I644 T645 I646 M656 S660 P662	I644-V658 HydrophobicContact CG2-CG1 4.35Å; I644-V658 HydrophobicContact CG2-CG2 3.63Å; T645-V658 PolarHBondContact O-N 3.35Å; T645-V658 VanDerWaalsContact O-N 3.09Å; I646-V658 WeakPolarHBondContact CA-O 3.49Å; I646-V658 HydrophobicContact CG1-CG2 3.95Å; M656-V658 HydrophobicContact CE-CG1 3.96Å; M656-V658 HydrophobicContact CG-CG1 4.21Å; M656-V658 HydrophobicContact SD-CG1 4.4Å; V658-S660 VanDerWaalsContact CG2-O 3.28Å; V658-S660 WeakPolarHBondContact CG2-O 3.31Å; V658-P662 HydrophobicContact CG2-CG 4.46Å
659	Q	77.5	Confident	79.1	Confident	207 Å²	207	81.1 Å²	81.1	97%	0.967	42%	0.42	S	S	*	.	S	Bend	trans	-87.6	-15.7	-179.3	-63.6	-174.9	2.2	0	0	113.6
660	S	80.5	Confident	80.3	Confident	76 Å²	76	74.8 Å²	74.8	53%	0.531	39%	0.387	S	S	.	.	S	Bend	trans	-144.3	176.1	179.4	65.2	0	0	0	0	110.5	V658	V658-S660 VanDerWaalsContact CG2-O 3.28Å; V658-S660 WeakPolarHBondContact CG2-O 3.31Å
661	E	79.4	Confident	81.4	Confident	79 Å²	79	73.7 Å²	73.7	37%	0.369	38%	0.378	S	S	.	.			trans	-58.7	135.2	162.3	-76.2	-172.6	-178.2	0	0	108.7	Y560 K577 F585 I646	Y560-E661 PolarHBondContact OH-OE2 2.82Å; K577-E661 IonicContact NZ-OE1 3.8Å; K577-E661 PolarHBondContact NZ-OE1 2.92Å; F585-E661 HydrophobicContact CE2-CG 4.13Å; F585-E661 HydrophobicContact CZ-CG 4.01Å; F585-E661 WeakPolarHBondContact CZ-OE1 3.47Å; I646-E661 HydrophobicContact CD1-CB 4.23Å; I646-E661 HydrophobicContact CD1-CG 3.43Å; I646-E661 VanDerWaalsContact CD1-CG 3.43Å
662	P	81.3	Confident	82.3	Confident	22 Å²	22	69 Å²	69	14%	0.143	36%	0.359	C	S	.	.			trans	-65.7	164.8	177.2	-21	31.7	0	0	0	113.3	I644 V658 W664 L670	I644-P662 HydrophobicContact CG2-CG 3.95Å; V658-P662 HydrophobicContact CG2-CG 4.46Å; P662-W664 HydrophobicContact CG-CH2 4.32Å; P662-W664 HydrophobicContact CG-CZ2 4.27Å; P662-W664 VanDerWaalsContact O-CD1 3.25Å; P662-W664 PolarHBondContact O-N 3.4Å; P662-W664 PolarHBondContact O-NE1 2.71Å; P662-L670 HydrophobicContact CB-CD2 3.83Å; P662-L670 HydrophobicContact CG-CD2 4.17Å
663	N	84.4	Confident	83	Confident	104 Å²	104	68.5 Å²	68.5	56%	0.556	36%	0.359	S	S	*	.			trans	-71.4	99	165.7	179.7	12.8	0	0	0	110.1	D665 D666	N663-D665 PolarHBondContact O-N 2.67Å; N663-D665 VanDerWaalsContact O-N 3.11Å; N663-D665 PolarHBondContact OD1-N 2.83Å; N663-D665 VanDerWaalsContact OD1-N 3.08Å; N663-D666 HydrophobicContact CB-CB 4.17Å; N663-D666 PolarHBondContact O-N 3Å
664	W	84.5	Confident	83.7	Confident	22 Å²	22	64 Å²	64	8%	0.083	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-2.6	180	-56.6	106	0	0	0	115	Y560 K561 Y563 V575 F585 I644 P662 L670	Y560-W664 HydrophobicContact CD1-CD2 4.48Å; Y560-W664 HydrophobicContact CD1-CZ2 4.43Å; Y560-W664 AromaticContact CE1-CD1 3.62Å; Y560-W664 AromaticContact CE1-CD2 3.85Å; Y560-W664 HydrophobicContact CE1-CD2 3.85Å; Y560-W664 AromaticContact CE1-CE2 3.43Å; Y560-W664 VanDerWaalsContact CE1-CE2 3.43Å; Y560-W664 AromaticContact CE1-CG 3.94Å; Y560-W664 HydrophobicContact CE1-CG 3.94Å; Y560-W664 AromaticContact CE1-CZ2 3.93Å; Y560-W664 HydrophobicContact CE1-CZ2 3.93Å; Y560-W664 AromaticContact CE1-NE1 3.29Å; Y560-W664 VanDerWaalsContact CE1-NE1 3.29Å; Y560-W664 AromaticContact CZ-NE1 3.53Å; Y560-W664 PolarHBondContact OH-NE1 3.33Å; K561-W664 HydrophobicContact CD-CB 4.17Å; K561-W664 WeakPolarHBondContact CE-O 3.46Å; K561-W664 PolarHBondContact NZ-O 3.01Å; Y563-W664 WeakPolarHBondContact CE1-O 3.35Å; Y563-W664 PolarHBondContact OH-O 2.99Å; V575-W664 HydrophobicContact CB-CZ3 4.33Å; V575-W664 HydrophobicContact CG1-CE3 4.47Å; V575-W664 HydrophobicContact CG1-CH2 3.71Å; V575-W664 HydrophobicContact CG1-CZ2 4.47Å; V575-W664 HydrophobicContact CG1-CZ3 3.72Å; V575-W664 HydrophobicContact CG2-CE3 4.06Å; V575-W664 HydrophobicContact CG2-CH2 4.5Å; V575-W664 HydrophobicContact CG2-CZ3 3.67Å; F585-W664 HydrophobicContact CB-CH2 4.12Å; F585-W664 AromaticContact CD1-CH2 3.84Å; F585-W664 HydrophobicContact CD1-CH2 3.84Å; F585-W664 AromaticContact CD1-CZ2 3.75Å; F585-W664 HydrophobicContact CD1-CZ2 3.75Å; F585-W664 HydrophobicContact CD2-CZ2 4.4Å; F585-W664 HydrophobicContact CE1-CH2 4.35Å; F585-W664 AromaticContact CE1-CZ2 3.79Å; F585-W664 HydrophobicContact CE1-CZ2 3.79Å; F585-W664 HydrophobicContact CE2-CZ2 4.47Å; F585-W664 AromaticContact CG-CH2 3.95Å; F585-W664 HydrophobicContact CG-CH2 3.95Å; F585-W664 HydrophobicContact CG-CZ2 4.05Å; F585-W664 HydrophobicContact CZ-CZ2 4.14Å; I644-W664 HydrophobicContact CD1-CH2 4.37Å; I644-W664 HydrophobicContact CD1-CZ3 4.36Å; P662-W664 HydrophobicContact CG-CH2 4.32Å; P662-W664 HydrophobicContact CG-CZ2 4.27Å; P662-W664 VanDerWaalsContact O-CD1 3.25Å; P662-W664 PolarHBondContact O-N 3.4Å; P662-W664 PolarHBondContact O-NE1 2.71Å; W664-L670 HydrophobicContact CE3-CD1 3.83Å; W664-L670 HydrophobicContact CZ3-CD1 4.34Å
665	D	83.3	Confident	84.2	Confident	126 Å²	126	63.8 Å²	63.8	67%	0.674	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-11.3	169.7	-65.2	-46.4	0	0	0	113	K561 N663 E667	K561-D665 IonicContact NZ-OD1 3.69Å; K561-D665 PolarHBondContact NZ-OD1 3.02Å; N663-D665 PolarHBondContact O-N 2.67Å; N663-D665 VanDerWaalsContact O-N 3.11Å; N663-D665 PolarHBondContact OD1-N 2.83Å; N663-D665 VanDerWaalsContact OD1-N 3.08Å; D665-E667 VanDerWaalsContact C-N 3.33Å; D665-E667 PolarHBondContact O-N 3Å
666	D	83.6	Confident	84.8	Confident	70 Å²	70	63.1 Å²	63.1	37%	0.374	33%	0.325	S	S	.	.			trans	-85.8	74.6	165.7	-174.6	-2.8	0	0	0	109.9	N663 E668 H669 L670	N663-D666 HydrophobicContact CB-CB 4.17Å; N663-D666 PolarHBondContact O-N 3Å; D666-E668 VanDerWaalsContact C-N 3.29Å; D666-E668 PolarHBondContact O-N 2.64Å; D666-H669 PolarHBondContact OD1-N 3.11Å; D666-L670 WeakPolarHBondContact O-CD1 3.45Å; D666-L670 WeakPolarHBondContact O-CG 3.27Å
667	E	81.6	Confident	85.3	Confident	32 Å²	32	61 Å²	61	15%	0.15	32%	0.315	C	S	.	.	H	α-helix	trans	-66.3	-31.1	-179.1	-168.3	-176.1	160.9	0	0	112.4	Y563 R569 D665 L670 L671	Y563-E667 WeakPolarHBondContact CB-OE1 3.34Å; Y563-E667 HydrophobicContact CD1-CB 4.01Å; Y563-E667 HydrophobicContact CD1-CG 3.48Å; Y563-E667 VanDerWaalsContact CD1-CG 3.48Å; Y563-E667 WeakPolarHBondContact CD1-OE2 3.43Å; Y563-E667 HydrophobicContact CD2-CG 4.36Å; Y563-E667 HydrophobicContact CE1-CB 3.78Å; Y563-E667 HydrophobicContact CE1-CG 3.63Å; Y563-E667 HydrophobicContact CE2-CG 4.48Å; Y563-E667 VanDerWaalsContact CG-CD 3.48Å; Y563-E667 HydrophobicContact CG-CG 3.86Å; R569-E667 IonicContact CZ-OE1 3.21Å; R569-E667 IonicContact CZ-OE2 2.67Å; R569-E667 IonicContact NE-OE1 2.72Å; R569-E667 PolarHBondContact NE-OE1 3Å; R569-E667 IonicContact NH1-OE1 2.69Å; R569-E667 PolarHBondContact NH1-OE1 3.13Å; R569-E667 IonicContact NH1-OE2 2.83Å; R569-E667 PolarHBondContact NH1-OE2 3.47Å; R569-E667 IonicContact NH2-OE1 2.67Å; R569-E667 PolarHBondContact NH2-OE1 2.9Å; R569-E667 VanDerWaalsContact NH2-OE1 3.1Å; R569-E667 IonicContact NH2-OE2 2.83Å; R569-E667 PolarHBondContact NH2-OE2 3.47Å; D665-E667 VanDerWaalsContact C-N 3.33Å; D665-E667 PolarHBondContact O-N 3Å; E667-L670 PolarHBondContact O-N 3.19Å; E667-L671 HydrophobicContact CG-CD1 3.85Å; E667-L671 HydrophobicContact CG-CG 4.19Å; E667-L671 VanDerWaalsContact O-CG 3.29Å; E667-L671 WeakPolarHBondContact O-CG 3.24Å; E667-L671 PolarHBondContact O-N 3.2Å; E667-L671 VanDerWaalsContact O-N 3.09Å
668	E	82.4	Confident	85.8	Confident	165 Å²	165	56.8 Å²	56.8	77%	0.771	29%	0.294	S	S	*	.	H	α-helix	trans	-69	-50	-171.4	-167.3	153.2	-141.2	0	0	111.2	D666 L670 L671 E672	D666-E668 VanDerWaalsContact C-N 3.29Å; D666-E668 PolarHBondContact O-N 2.64Å; E668-L670 VanDerWaalsContact C-N 3.31Å; E668-L670 PolarHBondContact O-N 2.75Å; E668-L671 PolarHBondContact O-N 3.06Å; E668-E672 PolarHBondContact O-N 2.84Å
669	H	83.1	Confident	86.4	Confident	94 Å²	94	55.5 Å²	55.5	44%	0.435	29%	0.286	S	S	.	.	H	α-helix	trans	-66.6	-31.1	175.5	-174.1	48.2	0	0	0	112.9	D666 L671 E672	D666-H669 PolarHBondContact OD1-N 3.11Å; H669-L671 VanDerWaalsContact C-N 3.31Å; H669-L671 PolarHBondContact O-N 2.87Å; H669-E672 IonicContact CE1-OE2 3.8Å; H669-E672 IonicContact CG-OE2 2.71Å; H669-E672 IonicContact ND1-OE2 2.77Å; H669-E672 PolarHBondContact ND1-OE2 2.91Å; H669-E672 PolarHBondContact O-N 3.29Å
670	L	85	Confident	87.3	Confident	6 Å²	6	45.7 Å²	45.7	3%	0.031	24%	0.241	C	C	.	.	H	α-helix	trans	-65.6	-33.6	175.2	-76.7	170.2	0	0	0	112.7	Y563 L587 K642 I644 P662 W664 D666 E667 E668	Y563-L670 WeakPolarHBondContact OH-CD1 3.4Å; L587-L670 WeakPolarHBondContact CD2-O 3.33Å; K642-L670 WeakPolarHBondContact CD-O 3.21Å; K642-L670 PolarHBondContact NZ-O 2.88Å; I644-L670 HydrophobicContact CD1-CD2 3.82Å; P662-L670 HydrophobicContact CB-CD2 3.83Å; P662-L670 HydrophobicContact CG-CD2 4.17Å; W664-L670 HydrophobicContact CE3-CD1 3.83Å; W664-L670 HydrophobicContact CZ3-CD1 4.34Å; D666-L670 WeakPolarHBondContact O-CD1 3.45Å; D666-L670 WeakPolarHBondContact O-CG 3.27Å; E667-L670 PolarHBondContact O-N 3.19Å; E668-L670 VanDerWaalsContact C-N 3.31Å; E668-L670 PolarHBondContact O-N 2.75Å
671	L	86	Confident	88	Confident	17 Å²	17	42.1 Å²	42.1	9%	0.089	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-4.6	178.9	-68.3	176.8	0	0	0	114.8	S573 L587 T589 C599 E667 E668 H669 L674	S573-L671 WeakPolarHBondContact OG-CD2 3.13Å; L587-L671 HydrophobicContact CD2-CD2 4.4Å; T589-L671 HydrophobicContact CG2-CD2 4.44Å; C599-L671 WeakPolarHBondContact CB-O 3.33Å; E667-L671 HydrophobicContact CG-CD1 3.85Å; E667-L671 HydrophobicContact CG-CG 4.19Å; E667-L671 VanDerWaalsContact O-CG 3.29Å; E667-L671 WeakPolarHBondContact O-CG 3.24Å; E667-L671 PolarHBondContact O-N 3.2Å; E667-L671 VanDerWaalsContact O-N 3.09Å; E668-L671 PolarHBondContact O-N 3.06Å; H669-L671 VanDerWaalsContact C-N 3.31Å; H669-L671 PolarHBondContact O-N 2.87Å; L671-L674 WeakPolarHBondContact O-CG 3.25Å
672	E	86.4	Confident	88.6	Confident	111 Å²	111	38.3 Å²	38.3	52%	0.519	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	153.8	169.8	-62.5	-176.2	124	0	0	111.5	K642 E668 H669 L674	K642-E672 WeakPolarHBondContact CE-O 3.25Å; K642-E672 PolarHBondContact NZ-O 3.26Å; E668-E672 PolarHBondContact O-N 2.84Å; H669-E672 IonicContact CE1-OE2 3.8Å; H669-E672 IonicContact CG-OE2 2.71Å; H669-E672 IonicContact ND1-OE2 2.77Å; H669-E672 PolarHBondContact ND1-OE2 2.91Å; H669-E672 PolarHBondContact O-N 3.29Å; E672-L674 PolarHBondContact O-N 3.4Å
673	G	89.7	Confident	89	Confident	24 Å²	24	38.4 Å²	38.4	25%	0.247	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	28.3	169	0	0	0	0	0	115.9	C599	C599-G673 PolarHBondContact O-N 3.38Å
674	L	94.4	Very high	89	Confident	1 Å²	1	34 Å²	34	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	164.6	177.3	-56.6	177.9	0	0	0	112.4	L587 T589 C599 C600 S601 W602 A640 K642 L671 E672	L587-L674 HydrophobicContact CD2-CD2 4.27Å; T589-L674 HydrophobicContact CG2-CD1 3.91Å; C599-L674 HydrophobicContact CB-CD1 3.78Å; C599-L674 HydrophobicContact CB-CG 4.25Å; C599-L674 WeakPolarHBondContact O-CB 3.44Å; C599-L674 PolarHBondContact O-N 2.75Å; C600-L674 CarbonylContact C-O 3.59Å; C600-L674 WeakPolarHBondContact CA-O 3.14Å; C600-L674 HydrophobicContact CB-CB 4.5Å; S601-L674 PolarHBondContact N-O 3.5Å; W602-L674 PolarHBondContact N-O 3.43Å; W602-L674 VanDerWaalsContact N-O 3.14Å; A640-L674 HydrophobicContact CB-CB 4.06Å; A640-L674 HydrophobicContact CB-CD1 4.12Å; K642-L674 HydrophobicContact CB-CD2 3.82Å; K642-L674 HydrophobicContact CD-CD2 4.09Å; L671-L674 WeakPolarHBondContact O-CG 3.25Å; E672-L674 PolarHBondContact O-N 3.4Å
675	T	94.5	Very high	89.1	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	117.1	170.5	-53.7	0	0	0	0	110.7	W602 M604 A640 Y641 N654 L677	W602-T675 HydrophobicContact CB-CG2 3.88Å; W602-T675 CarbonylContact O-C 3.6Å; W602-T675 WeakPolarHBondContact O-CA 3.36Å; M604-T675 HydrophobicContact CG-CG2 3.94Å; M604-T675 HydrophobicContact SD-CG2 3.71Å; A640-T675 CarbonylContact C-O 3.06Å; A640-T675 WeakPolarHBondContact CA-O 3.42Å; A640-T675 WeakPolarHBondContact CB-O 3.41Å; Y641-T675 HydrophobicContact CD1-CG2 4.23Å; Y641-T675 HydrophobicContact CE1-CG2 3.63Å; Y641-T675 PolarHBondContact N-O 2.64Å; Y641-T675 WeakPolarHBondContact O-CB 3.42Å; Y641-T675 PolarHBondContact O-N 3.32Å; N654-T675 PolarHBondContact ND2-OG1 2.84Å; T675-L677 PolarHBondContact O-N 2.9Å
676	L	95.5	Very high	89.5	Confident	2 Å²	2	29.8 Å²	29.8	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	124.1	177.7	-167.7	72.2	0	0	0	110.8	V596 V597 C600 W602 M603 M604 F613 L621	V596-L676 HydrophobicContact CG1-CD1 4.25Å; V597-L676 HydrophobicContact CG2-CD1 4.31Å; V597-L676 HydrophobicContact CG2-CD2 4.15Å; C600-L676 HydrophobicContact CB-CB 4.14Å; W602-L676 PolarHBondContact O-N 3.18Å; M603-L676 HydrophobicContact CB-CB 4.42Å; M603-L676 HydrophobicContact CE-CD2 3.83Å; M603-L676 HydrophobicContact CG-CB 4.37Å; M604-L676 PolarHBondContact N-O 3.24Å; M604-L676 VanDerWaalsContact N-O 3.1Å; F613-L676 HydrophobicContact CE1-CD2 4.14Å; F613-L676 HydrophobicContact CZ-CD2 4.27Å; L621-L676 HydrophobicContact CD2-CD2 3.6Å
677	L	93.7	Very high	89.7	Confident	4 Å²	4	28 Å²	28	2%	0.021	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	-36.1	173.2	-64.3	174.5	0	0	0	111.6	L500 I501 M604 I639 Y641 T675	L500-L677 HydrophobicContact CB-CD1 3.98Å; L500-L677 HydrophobicContact CB-CD2 4.06Å; L500-L677 HydrophobicContact CD1-CD2 4.08Å; I501-L677 HydrophobicContact CD1-CB 4.11Å; I501-L677 HydrophobicContact CG1-CB 3.67Å; I501-L677 HydrophobicContact CG1-CD1 4.01Å; I501-L677 HydrophobicContact CG1-CG 4.37Å; M604-L677 HydrophobicContact CG-CD2 3.83Å; I639-L677 HydrophobicContact CG2-CD1 4.26Å; I639-L677 PolarHBondContact O-N 3.11Å; Y641-L677 HydrophobicContact CD1-CD1 4.06Å; Y641-L677 HydrophobicContact CD1-CD2 3.56Å; Y641-L677 HydrophobicContact CD1-CG 3.78Å; Y641-L677 HydrophobicContact CE1-CD2 3.7Å; Y641-L677 HydrophobicContact CE1-CG 4.41Å; T675-L677 PolarHBondContact O-N 2.9Å
678	G	93	Very high	90.1	Very high	3 Å²	3	32.2 Å²	32.2	3%	0.031	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.5	179.8	177.9	0	0	0	0	0	114.3	F478 I639	F478-G678 CarbonylContact O-C 3.58Å; F478-G678 WeakPolarHBondContact O-CA 3.49Å; I639-G678 PolarHBondContact N-O 3.02Å; I639-G678 PolarHBondContact O-N 2.96Å
679	I	95.5	Very high	90.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	134.5	175.2	-62.1	158.6	0	0	0	108.2	C477 F478 V597 L621 I626 M629 T636 I637	C477-I679 CarbonylContact C-O 3.56Å; C477-I679 VanDerWaalsContact CA-O 3.24Å; C477-I679 WeakPolarHBondContact CA-O 3.43Å; F478-I679 HydrophobicContact CB-CB 4.4Å; F478-I679 PolarHBondContact N-O 3.37Å; F478-I679 PolarHBondContact O-N 2.92Å; V597-I679 HydrophobicContact CG2-CD1 4.34Å; L621-I679 HydrophobicContact CD1-CD1 4.2Å; L621-I679 HydrophobicContact CD2-CD1 3.7Å; L621-I679 HydrophobicContact CG-CD1 3.93Å; I626-I679 HydrophobicContact CD1-CD1 3.88Å; I626-I679 HydrophobicContact CG1-CD1 3.74Å; M629-I679 HydrophobicContact SD-CG2 4.33Å; T636-I679 HydrophobicContact CG2-CG2 4.27Å; I637-I679 CarbonylContact O-C 3.55Å; I637-I679 WeakPolarHBondContact O-CA 3.45Å
680	I	95.7	Very high	91.1	Very high	2 Å²	2	22 Å²	22	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	120.8	176.5	-55.1	-175	0	0	0	109.3	A474 C477 I505 L536 F539 I637 I639 I682	A474-I680 HydrophobicContact CB-CG2 3.71Å; C477-I680 HydrophobicContact CB-CG1 4.32Å; I505-I680 HydrophobicContact CD1-CD1 4Å; L536-I680 HydrophobicContact CD2-CB 4.3Å; L536-I680 HydrophobicContact CD2-CD1 3.91Å; L536-I680 HydrophobicContact CD2-CG2 4.37Å; F539-I680 HydrophobicContact CD1-CD1 3.44Å; F539-I680 VanDerWaalsContact CD1-CD1 3.44Å; F539-I680 HydrophobicContact CD2-CD1 4.27Å; F539-I680 HydrophobicContact CD2-CG2 4.31Å; F539-I680 HydrophobicContact CE1-CD1 3.4Å; F539-I680 VanDerWaalsContact CE1-CD1 3.4Å; F539-I680 HydrophobicContact CE1-CG1 4.35Å; F539-I680 HydrophobicContact CE2-CD1 4.25Å; F539-I680 HydrophobicContact CG-CD1 3.88Å; F539-I680 HydrophobicContact CZ-CD1 3.82Å; F539-I680 HydrophobicContact CZ-CG1 4.33Å; I637-I680 PolarHBondContact N-O 2.84Å; I637-I680 PolarHBondContact O-N 3.39Å; I639-I680 HydrophobicContact CD1-CD1 3.55Å; I639-I680 HydrophobicContact CD1-CG1 4.05Å; I680-I682 HydrophobicContact CG2-CG2 3.82Å
681	G	94.4	Very high	91.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	108.4	170.6	0	0	0	0	0	109.9	V475 Q476	V475-G681 PolarHBondContact N-O 2.91Å; Q476-G681 PolarHBondContact N-O 2.98Å; Q476-G681 PolarHBondContact O-N 2.86Å
682	I	92.1	Very high	92	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	140.7	175.5	65.4	169.6	0	0	0	110.4	M472 T473 A474 T532 A535 R635 I637 I680	M472-I682 HydrophobicContact CE-CB 4.01Å; M472-I682 HydrophobicContact CE-CD1 3.6Å; M472-I682 HydrophobicContact CE-CG1 3.52Å; T473-I682 CarbonylContact O-C 3.52Å; T473-I682 VanDerWaalsContact O-CA 3.25Å; T473-I682 WeakPolarHBondContact O-CA 3.21Å; A474-I682 HydrophobicContact CB-CG2 4.09Å; T532-I682 HydrophobicContact CG2-CD1 3.81Å; A535-I682 HydrophobicContact CB-CB 4.22Å; A535-I682 HydrophobicContact CB-CD1 4.11Å; A535-I682 HydrophobicContact CB-CG2 3.92Å; R635-I682 HydrophobicContact CB-CG1 4.05Å; R635-I682 HydrophobicContact CG-CG1 4.45Å; R635-I682 PolarHBondContact N-O 2.99Å; R635-I682 WeakPolarHBondContact O-CG1 3.26Å; R635-I682 PolarHBondContact O-N 3.13Å; I637-I682 HydrophobicContact CD1-CD1 4.47Å; I637-I682 HydrophobicContact CG1-CD1 3.99Å; I637-I682 HydrophobicContact CG1-CG1 4.21Å; I680-I682 HydrophobicContact CG2-CG2 3.82Å
683	E	89.3	Confident	92.4	Very high	23 Å²	23	19.6 Å²	19.6	11%	0.107	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	167.5	170.2	65.9	170.6	178.1	0	0	112.4	M472 T473 V475 L634 P685 K721	M472-E683 CarbonylContact C-O 3.42Å; M472-E683 WeakPolarHBondContact CA-O 3.43Å; T473-E683 PolarHBondContact N-O 2.95Å; T473-E683 PolarHBondContact O-N 3.32Å; T473-E683 PolarHBondContact OG1-O 3.44Å; V475-E683 HydrophobicContact CG2-CG 3.74Å; L634-E683 HydrophobicContact CD2-CB 3.71Å; L634-E683 HydrophobicContact CD2-CG 3.76Å; E683-P685 WeakPolarHBondContact O-CD 3.47Å; E683-K721 IonicContact OE1-NZ 3.7Å; E683-K721 PolarHBondContact OE1-NZ 2.62Å; E683-K721 IonicContact OE2-NZ 3.93Å; E683-K721 PolarHBondContact OE2-NZ 3.06Å
684	D	85.3	Confident	92.6	Very high	13 Å²	13	18.4 Å²	18.4	7%	0.07	11%	0.113	C	C	.	.			trans	-98.2	101	170	-179.7	21.5	0	0	0	107.5	K463 T468 N470 R471 M472	K463-D684 IonicContact NZ-OD2 2.79Å; K463-D684 PolarHBondContact NZ-OD2 3.27Å; T468-D684 VanDerWaalsContact CB-CG 3.41Å; T468-D684 WeakPolarHBondContact CB-OD1 3.46Å; T468-D684 VanDerWaalsContact CB-OD2 3.23Å; T468-D684 WeakPolarHBondContact CB-OD2 3.45Å; T468-D684 VanDerWaalsContact CG2-O 3.22Å; T468-D684 WeakPolarHBondContact CG2-O 3.4Å; T468-D684 PolarHBondContact OG1-OD1 3.36Å; T468-D684 PolarHBondContact OG1-OD2 2.94Å; N470-D684 WeakPolarHBondContact CA-OD1 3.39Å; N470-D684 PolarHBondContact N-OD1 3.02Å; R471-D684 PolarHBondContact N-OD1 3.22Å; M472-D684 HydrophobicContact SD-CB 3.76Å
685	P	87.4	Confident	92.6	Very high	31 Å²	31	26.3 Å²	26.3	20%	0.201	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-74.6	146.1	-164.6	28.7	-33.1	0	0	0	111.9	T468 T469 R471 T473 E683	T468-P685 CarbonylContact C-O 3.55Å; T468-P685 VanDerWaalsContact CA-O 3.25Å; T468-P685 WeakPolarHBondContact CA-O 3.42Å; T468-P685 WeakPolarHBondContact CB-O 3.42Å; T469-P685 PolarHBondContact N-O 3.38Å; T469-P685 WeakPolarHBondContact OG1-CD 3.45Å; T469-P685 WeakPolarHBondContact OG1-CG 3.45Å; T469-P685 PolarHBondContact OG1-O 3.16Å; R471-P685 WeakPolarHBondContact O-CD 3.36Å; T473-P685 HydrophobicContact CG2-CG 4.49Å; E683-P685 WeakPolarHBondContact O-CD 3.47Å
686	V	90.6	Very high	92.6	Very high	28 Å²	28	30.7 Å²	30.7	17%	0.17	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-61.6	138.9	173.4	178.2	0	0	0	0	110	V690 P691 I718 K721 C722	V686-V690 HydrophobicContact CG1-CB 4Å; V686-V690 HydrophobicContact CG1-CG1 3.95Å; V686-P691 HydrophobicContact CG1-CG 4.29Å; V686-I718 HydrophobicContact CG2-CD1 4.09Å; V686-I718 HydrophobicContact CG2-CG2 3.81Å; V686-K721 HydrophobicContact CG2-CB 4.05Å; V686-C722 VanDerWaalsContact CG1-SG 3.57Å
687	R	88	Confident	92.5	Very high	32 Å²	32	30.6 Å²	30.6	12%	0.121	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-65.8	133.1	176.2	-58.2	174.3	173.6	-107.3	3.4	109.9	G465 T466 L467 T468 T469 E689 V690 D834	G465-R687 PolarHBondContact O-NE 3.28Å; G465-R687 PolarHBondContact O-NH2 3.48Å; T466-R687 WeakPolarHBondContact O-CD 3.42Å; T466-R687 PolarHBondContact O-NE 2.75Å; L467-R687 PolarHBondContact O-N 3.47Å; T468-R687 PolarHBondContact O-NE 2.76Å; T468-R687 VanDerWaalsContact O-NE 3.08Å; T469-R687 HydrophobicContact CG2-CG 4Å; R687-E689 WeakPolarHBondContact CB-OE1 3.45Å; R687-E689 PolarHBondContact O-N 3.01Å; R687-V690 HydrophobicContact CB-CB 4.49Å; R687-V690 HydrophobicContact CB-CG2 3.82Å; R687-V690 HydrophobicContact CG-CG2 4.49Å; R687-V690 WeakPolarHBondContact O-CB 3.37Å; R687-V690 PolarHBondContact O-N 2.9Å; R687-D834 PolarHBondContact NH1-O 3.4Å; R687-D834 IonicContact NH2-OD2 3.02Å
688	P	89.6	Confident	92.5	Very high	120 Å²	120	34 Å²	34	78%	0.779	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-29.4	-170.2	-29.1	36	0	0	0	115.7
689	E	91.4	Very high	92.4	Very high	46 Å²	46	40.6 Å²	40.6	22%	0.215	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-19	-176.8	74.4	-67.6	166.9	0	0	114.7	R687 A692 A693 N835 S837	R687-E689 WeakPolarHBondContact CB-OE1 3.45Å; R687-E689 PolarHBondContact O-N 3.01Å; E689-A692 PolarHBondContact O-N 2.8Å; E689-A692 VanDerWaalsContact O-N 3.12Å; E689-A693 PolarHBondContact O-N 3.41Å; E689-N835 WeakPolarHBondContact CG-OD1 3.49Å; E689-S837 VanDerWaalsContact CG-OG 3.31Å; E689-S837 WeakPolarHBondContact CG-OG 3.39Å
690	V	94.7	Very high	92.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-55.2	-46.4	-178.7	159.7	0	0	0	0	113.1	L467 V686 R687 A692 A693 I694 C722 F836	L467-V690 HydrophobicContact CB-CG1 4.48Å; L467-V690 HydrophobicContact CD2-CG1 3.74Å; L467-V690 HydrophobicContact CD2-CG2 4.38Å; V686-V690 HydrophobicContact CG1-CB 4Å; V686-V690 HydrophobicContact CG1-CG1 3.95Å; R687-V690 HydrophobicContact CB-CB 4.49Å; R687-V690 HydrophobicContact CB-CG2 3.82Å; R687-V690 HydrophobicContact CG-CG2 4.49Å; R687-V690 WeakPolarHBondContact O-CB 3.37Å; R687-V690 PolarHBondContact O-N 2.9Å; V690-A692 VanDerWaalsContact C-N 3.27Å; V690-A692 PolarHBondContact O-N 2.87Å; V690-A693 PolarHBondContact O-N 2.97Å; V690-I694 HydrophobicContact CG1-CD1 3.52Å; V690-I694 HydrophobicContact CG1-CG1 4.32Å; V690-I694 WeakPolarHBondContact O-CB 3.4Å; V690-I694 WeakPolarHBondContact O-CG1 3.26Å; V690-I694 PolarHBondContact O-N 3.03Å; V690-C722 HydrophobicContact CG1-CB 4.22Å; V690-F836 HydrophobicContact CG2-CB 3.51Å; V690-F836 HydrophobicContact CG2-CG 4.07Å
691	P	95	Very high	92.1	Very high	28 Å²	28	42.4 Å²	42.4	18%	0.182	23%	0.226	C	C	.	.	H	α-helix	trans	-63.7	-29.3	179.1	-22.7	34.2	0	0	0	113.9	V686 R695	V686-P691 HydrophobicContact CG1-CG 4.29Å; P691-R695 WeakPolarHBondContact O-CD 3.36Å; P691-R695 VanDerWaalsContact O-CG 3.28Å; P691-R695 WeakPolarHBondContact O-CG 3.1Å; P691-R695 PolarHBondContact O-N 3.49Å
692	A	95.3	Very high	92.1	Very high	53 Å²	53	42.5 Å²	42.5	44%	0.438	23%	0.226	S	C	.	.	H	α-helix	trans	-76.3	-44	175.6	0	0	0	0	0	111.2	E689 V690 I694 R695 Q696	E689-A692 PolarHBondContact O-N 2.8Å; E689-A692 VanDerWaalsContact O-N 3.12Å; V690-A692 VanDerWaalsContact C-N 3.27Å; V690-A692 PolarHBondContact O-N 2.87Å; A692-I694 PolarHBondContact O-N 3.23Å; A692-R695 PolarHBondContact O-N 3.08Å; A692-Q696 WeakPolarHBondContact O-CG 3.38Å; A692-Q696 PolarHBondContact O-N 2.96Å; A692-Q696 VanDerWaalsContact O-N 3.14Å
693	A	94.9	Very high	92.2	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-64.2	-38.4	178	0	0	0	0	0	112.6	E689 V690 Q696 C697 F836 V840	E689-A693 PolarHBondContact O-N 3.41Å; V690-A693 PolarHBondContact O-N 2.97Å; A693-Q696 PolarHBondContact O-N 3.42Å; A693-C697 PolarHBondContact O-N 2.98Å; A693-F836 HydrophobicContact CB-CD1 3.8Å; A693-V840 HydrophobicContact CB-CG2 3.79Å
694	I	95.2	Very high	92.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65	-41.9	176.5	-73	171.6	0	0	0	111.6	L467 V690 A692 Q696 C697 Q698 V704 C722 I724 F836	L467-I694 HydrophobicContact CD2-CD1 4.1Å; V690-I694 HydrophobicContact CG1-CD1 3.52Å; V690-I694 HydrophobicContact CG1-CG1 4.32Å; V690-I694 WeakPolarHBondContact O-CB 3.4Å; V690-I694 WeakPolarHBondContact O-CG1 3.26Å; V690-I694 PolarHBondContact O-N 3.03Å; A692-I694 PolarHBondContact O-N 3.23Å; I694-Q696 VanDerWaalsContact C-N 3.3Å; I694-Q696 PolarHBondContact O-N 3.41Å; I694-C697 WeakPolarHBondContact O-CB 3.39Å; I694-C697 PolarHBondContact O-N 3.44Å; I694-Q698 HydrophobicContact CG2-CG 4.48Å; I694-Q698 WeakPolarHBondContact O-CG 3.47Å; I694-Q698 PolarHBondContact O-N 3.26Å; I694-V704 HydrophobicContact CD1-CG1 4.49Å; I694-V704 HydrophobicContact CG1-CG1 4.42Å; I694-V704 HydrophobicContact CG1-CG2 4.4Å; I694-V704 HydrophobicContact CG2-CG2 4.34Å; I694-C722 HydrophobicContact CD1-CB 3.78Å; I694-C722 WeakPolarHBondContact CD1-O 3.29Å; I694-I724 HydrophobicContact CD1-CD1 4.08Å; I694-I724 HydrophobicContact CD1-CG1 3.8Å; I694-I724 HydrophobicContact CG2-CG1 4.25Å; I694-F836 HydrophobicContact CG1-CD1 4.35Å; I694-F836 HydrophobicContact CG1-CE1 3.78Å; I694-F836 HydrophobicContact CG1-CZ 4.31Å
695	R	94.3	Very high	93	Very high	166 Å²	166	43.3 Å²	43.3	63%	0.626	23%	0.232	S	C	*	.	H	α-helix	trans	-61.1	-37.8	173.3	-69	170.2	-167.2	173.7	4.9	112	P691 A692 Q698 K699	P691-R695 WeakPolarHBondContact O-CD 3.36Å; P691-R695 VanDerWaalsContact O-CG 3.28Å; P691-R695 WeakPolarHBondContact O-CG 3.1Å; P691-R695 PolarHBondContact O-N 3.49Å; A692-R695 PolarHBondContact O-N 3.08Å; R695-Q698 PolarHBondContact O-N 3.18Å; R695-K699 WeakPolarHBondContact O-CB 3.32Å; R695-K699 PolarHBondContact O-N 3.42Å
696	Q	93.5	Very high	93.3	Very high	92 Å²	92	41.9 Å²	41.9	43%	0.43	22%	0.223	S	C	.	.	H	α-helix	trans	-66.5	-42.4	175	-69.9	177.2	0.9	0	0	112	A692 A693 I694 K699 A700 V840	A692-Q696 WeakPolarHBondContact O-CG 3.38Å; A692-Q696 PolarHBondContact O-N 2.96Å; A692-Q696 VanDerWaalsContact O-N 3.14Å; A693-Q696 PolarHBondContact O-N 3.42Å; I694-Q696 VanDerWaalsContact C-N 3.3Å; I694-Q696 PolarHBondContact O-N 3.41Å; Q696-K699 PolarHBondContact O-N 2.92Å; Q696-A700 WeakPolarHBondContact O-CB 3.12Å; Q696-A700 PolarHBondContact O-N 2.66Å; Q696-V840 HydrophobicContact CB-CG1 4.01Å
697	C	94.3	Very high	93.5	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.007	22%	0.216	C	C	.	.	H	α-helix	trans	-59.3	-46.2	171.8	-78	0	0	0	0	112.4	A693 I694 A700 G701 I702 V704	A693-C697 PolarHBondContact O-N 2.98Å; I694-C697 WeakPolarHBondContact O-CB 3.39Å; I694-C697 PolarHBondContact O-N 3.44Å; C697-A700 CarbonylContact O-C 3.57Å; C697-A700 PolarHBondContact O-N 3.07Å; C697-G701 PolarHBondContact O-N 3.14Å; C697-I702 CarbonylContact C-O 3.55Å; C697-I702 HydrophobicContact CB-CB 4.24Å; C697-I702 WeakPolarHBondContact O-CA 3.39Å; C697-I702 WeakPolarHBondContact O-CB 3.11Å; C697-I702 PolarHBondContact O-N 3.34Å; C697-V704 HydrophobicContact CB-CG2 3.86Å
698	Q	92.3	Very high	93.5	Very high	76 Å²	76	39.3 Å²	39.3	36%	0.355	21%	0.211	S	C	.	.	H	α-helix	trans	-61.3	-46.4	177.6	-73	165.2	-15.9	0	0	111.6	I694 R695 A700 G701 G723	I694-Q698 HydrophobicContact CG2-CG 4.48Å; I694-Q698 WeakPolarHBondContact O-CG 3.47Å; I694-Q698 PolarHBondContact O-N 3.26Å; R695-Q698 PolarHBondContact O-N 3.18Å; Q698-A700 VanDerWaalsContact C-N 3.26Å; Q698-A700 PolarHBondContact O-N 3.15Å; Q698-G701 PolarHBondContact O-N 2.86Å; Q698-G723 PolarHBondContact NE2-O 3.48Å
699	K	92.7	Very high	93	Very high	140 Å²	140	35.4 Å²	35.4	61%	0.609	19%	0.193	S	C	*	.	H	α-helix	trans	-58.3	-38.1	174.6	-164.3	-169.6	-173.5	-164.1	0	112.1	R695 Q696 G701 D914	R695-K699 WeakPolarHBondContact O-CB 3.32Å; R695-K699 PolarHBondContact O-N 3.42Å; Q696-K699 PolarHBondContact O-N 2.92Å; K699-G701 PolarHBondContact O-N 3.18Å; K699-D914 WeakPolarHBondContact CE-OD1 3.31Å; K699-D914 IonicContact NZ-OD1 3.65Å; K699-D914 PolarHBondContact NZ-OD1 2.61Å; K699-D914 IonicContact NZ-OD2 2.7Å
700	A	92.5	Very high	92.4	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.008	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	5.5	175.6	0	0	0	0	0	114.7	Q696 C697 Q698 I702 R847 L913	Q696-A700 WeakPolarHBondContact O-CB 3.12Å; Q696-A700 PolarHBondContact O-N 2.66Å; C697-A700 CarbonylContact O-C 3.57Å; C697-A700 PolarHBondContact O-N 3.07Å; Q698-A700 VanDerWaalsContact C-N 3.26Å; Q698-A700 PolarHBondContact O-N 3.15Å; A700-I702 HydrophobicContact CB-CD1 4.46Å; A700-I702 HydrophobicContact CB-CG1 4.32Å; A700-R847 PolarHBondContact O-NH2 3.33Å; A700-L913 WeakPolarHBondContact CA-O 3.42Å; A700-L913 HydrophobicContact CB-CB 4.36Å; A700-L913 HydrophobicContact CB-CD2 4.31Å; A700-L913 WeakPolarHBondContact CB-O 3.35Å; A700-L913 PolarHBondContact N-O 3.1Å
701	G	91.6	Very high	91.7	Very high	40 Å²	40	38 Å²	38	41%	0.412	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	22.1	-180	0	0	0	0	0	114.3	C697 Q698 K699	C697-G701 PolarHBondContact O-N 3.14Å; Q698-G701 PolarHBondContact O-N 2.86Å; K699-G701 PolarHBondContact O-N 3.18Å
702	I	94.5	Very high	91.4	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	21%	0.208	C	C	.	.			trans	-105.3	118	-178.4	-49.7	-175.5	0	0	0	109.7	A456 I459 C697 A700 V704 V843	A456-I702 HydrophobicContact CB-CD1 4.42Å; I459-I702 HydrophobicContact CD1-CG2 3.77Å; I459-I702 HydrophobicContact CG1-CG2 3.8Å; C697-I702 CarbonylContact C-O 3.55Å; C697-I702 HydrophobicContact CB-CB 4.24Å; C697-I702 WeakPolarHBondContact O-CA 3.39Å; C697-I702 WeakPolarHBondContact O-CB 3.11Å; C697-I702 PolarHBondContact O-N 3.34Å; A700-I702 HydrophobicContact CB-CD1 4.46Å; A700-I702 HydrophobicContact CB-CG1 4.32Å; I702-V704 PolarHBondContact O-N 2.78Å; I702-V843 HydrophobicContact CD1-CB 4.43Å; I702-V843 HydrophobicContact CD1-CG1 3.78Å; I702-V843 HydrophobicContact CD1-CG2 3.76Å
703	T	93.2	Very high	90.8	Very high	44 Å²	44	39.1 Å²	39.1	27%	0.27	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	104.8	178.6	-52.3	0	0	0	0	110.7	T457 A458 I459 R705	T457-T703 PolarHBondContact O-N 2.74Å; A458-T703 WeakPolarHBondContact CA-O 3.37Å; I459-T703 PolarHBondContact N-O 3.07Å; I459-T703 VanDerWaalsContact N-O 3.11Å; T703-R705 HydrophobicContact CG2-CG 4.39Å; T703-R705 VanDerWaalsContact CG2-NH1 3.33Å
704	V	95.6	Very high	90.2	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.018	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	138.4	170.2	-173.7	0	0	0	0	109.7	I459 I694 C697 I702 I724 F836	I459-V704 HydrophobicContact CD1-CG2 4.5Å; I459-V704 CarbonylContact O-C 3.58Å; I459-V704 WeakPolarHBondContact O-CA 3.29Å; I694-V704 HydrophobicContact CD1-CG1 4.49Å; I694-V704 HydrophobicContact CG1-CG1 4.42Å; I694-V704 HydrophobicContact CG1-CG2 4.4Å; I694-V704 HydrophobicContact CG2-CG2 4.34Å; C697-V704 HydrophobicContact CB-CG2 3.86Å; I702-V704 PolarHBondContact O-N 2.78Å; V704-I724 HydrophobicContact CG1-CD1 4.05Å; V704-I724 HydrophobicContact CG1-CG1 4.19Å; V704-F836 HydrophobicContact CG1-CZ 4.43Å
705	R	95.9	Very high	89.8	Confident	5 Å²	5	40.1 Å²	40.1	2%	0.019	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.6	175.9	-65.1	-179.4	169	77.8	-0.6	109.5	I459 S461 T703 W760 I761 L763 R764	I459-R705 PolarHBondContact O-N 2.86Å; S461-R705 PolarHBondContact N-O 3.24Å; T703-R705 HydrophobicContact CG2-CG 4.39Å; T703-R705 VanDerWaalsContact CG2-NH1 3.33Å; R705-W760 PolarHBondContact NE-O 3.1Å; R705-W760 PolarHBondContact NH2-O 3.03Å; R705-I761 PolarHBondContact NH2-O 3.41Å; R705-L763 WeakPolarHBondContact CD-O 3.46Å; R705-L763 PolarHBondContact NE-O 3.39Å; R705-R764 CarbonylContact C-O 3.47Å; R705-R764 WeakPolarHBondContact CA-O 3.37Å
706	M	95.4	Very high	89.6	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	136.7	173.4	-172.4	-170.6	-69	0	0	110.5	S461 K463 L467 T708 A715 I718 A719 I724 R764 V765 L766	S461-M706 CarbonylContact O-C 3.51Å; S461-M706 WeakPolarHBondContact O-CA 3.37Å; K463-M706 HydrophobicContact CB-CE 4.4Å; K463-M706 HydrophobicContact CB-CG 4.13Å; K463-M706 HydrophobicContact CB-SD 3.89Å; K463-M706 HydrophobicContact CG-CE 4.11Å; K463-M706 HydrophobicContact CG-SD 4Å; L467-M706 HydrophobicContact CD1-CE 3.96Å; L467-M706 HydrophobicContact CD1-CG 4.39Å; M706-T708 HydrophobicContact CG-CG2 4.29Å; M706-T708 HydrophobicContact SD-CG2 4.09Å; M706-A715 HydrophobicContact SD-CB 4.17Å; M706-I718 HydrophobicContact CE-CB 4.02Å; M706-I718 HydrophobicContact CE-CG2 3.71Å; M706-A719 HydrophobicContact CE-CB 3.98Å; M706-I724 HydrophobicContact CB-CD1 4.2Å; M706-I724 HydrophobicContact CE-CD1 4.19Å; M706-R764 PolarHBondContact N-O 3.47Å; M706-V765 HydrophobicContact CB-CG2 4.26Å; M706-V765 WeakPolarHBondContact O-CA 3.28Å; M706-V765 HydrophobicContact SD-CG1 4.5Å; M706-L766 PolarHBondContact O-N 3.39Å
707	V	93.2	Very high	89.3	Confident	5 Å²	5	33.8 Å²	33.8	3%	0.03	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	101.6	-178.7	-172.2	0	0	0	0	108.9	C460 S461 D462 L766 K774 L777	C460-V707 HydrophobicContact CB-CG2 4.18Å; S461-V707 PolarHBondContact O-N 3.39Å; D462-V707 WeakPolarHBondContact CA-O 3.31Å; V707-L766 WeakPolarHBondContact CA-O 3.5Å; V707-L766 HydrophobicContact CG1-CB 4.31Å; V707-L766 HydrophobicContact CG1-CD2 4.19Å; V707-L766 HydrophobicContact CG1-CG 4.49Å; V707-K774 HydrophobicContact CG1-CB 4.34Å; V707-K774 HydrophobicContact CG1-CD 4.02Å; V707-K774 HydrophobicContact CG1-CG 3.71Å; V707-K774 WeakPolarHBondContact O-CE 3.48Å; V707-K774 PolarHBondContact O-NZ 3.48Å; V707-L777 HydrophobicContact CG1-CD2 4.37Å; V707-L777 HydrophobicContact CG2-CD2 3.57Å
708	T	88.9	Confident	89.1	Confident	2 Å²	2	34 Å²	34	1%	0.012	19%	0.187	C	C	.	.			trans	-142.5	154.4	-167.3	-171.1	0	0	0	0	114.2	K463 M706 D710 A715 L766 A767 R768 S769	K463-T708 HydrophobicContact CB-CG2 4.26Å; M706-T708 HydrophobicContact CG-CG2 4.29Å; M706-T708 HydrophobicContact SD-CG2 4.09Å; T708-D710 VanDerWaalsContact C-N 3.29Å; T708-D710 HydrophobicContact CG2-CB 4.07Å; T708-D710 PolarHBondContact OG1-N 2.97Å; T708-A715 HydrophobicContact CG2-CB 3.85Å; T708-L766 PolarHBondContact N-O 2.91Å; T708-A767 CarbonylContact O-C 3.42Å; T708-A767 VanDerWaalsContact O-C 3.27Å; T708-A767 WeakPolarHBondContact O-CA 3.4Å; T708-R768 PolarHBondContact O-N 2.8Å; T708-S769 VanDerWaalsContact C-OG 3.25Å; T708-S769 PolarHBondContact N-OG 3.01Å; T708-S769 PolarHBondContact O-N 3.34Å; T708-S769 PolarHBondContact O-OG 3.19Å
709	G	78.9	Confident	89.1	Confident	38 Å²	38	30.3 Å²	30.3	39%	0.392	17%	0.17	S	C	.	.	S	Bend	trans	-76.6	-8.1	173.4	0	0	0	0	0	115	R768	G709-R768 VanDerWaalsContact O-CD 3.26Å; G709-R768 WeakPolarHBondContact O-CD 3.26Å; G709-R768 PolarHBondContact O-NH1 3.19Å
710	D	79.1	Confident	89	Confident	45 Å²	45	28 Å²	28	24%	0.241	16%	0.163	C	C	.	.	S	Bend	trans	-67.4	163.8	177	-77.9	-24.8	0	0	0	112.9	K463 T708 R768	K463-D710 WeakPolarHBondContact CD-OD2 3.33Å; K463-D710 WeakPolarHBondContact CE-OD2 3.48Å; K463-D710 IonicContact NZ-OD2 3.1Å; K463-D710 PolarHBondContact NZ-OD2 3.03Å; T708-D710 VanDerWaalsContact C-N 3.29Å; T708-D710 HydrophobicContact CG2-CB 4.07Å; T708-D710 PolarHBondContact OG1-N 2.97Å; D710-R768 WeakPolarHBondContact O-CD 3.22Å; D710-R768 PolarHBondContact O-N 2.84Å
711	N	80.5	Confident	88.9	Confident	55 Å²	55	32 Å²	32	29%	0.294	18%	0.18	S	C	.	.			trans	-65.2	153.5	175.1	59.5	-43.3	0	0	0	112.1	N713 T714 A715	N711-N713 VanDerWaalsContact C-N 3.26Å; N711-N713 PolarHBondContact O-N 3.2Å; N711-T714 PolarHBondContact ND2-OG1 3.31Å; N711-T714 PolarHBondContact O-N 2.88Å; N711-T714 VanDerWaalsContact OD1-CB 3.27Å; N711-T714 WeakPolarHBondContact OD1-CB 3.46Å; N711-T714 PolarHBondContact OD1-OG1 2.96Å; N711-T714 VanDerWaalsContact OD1-OG1 3.14Å; N711-A715 WeakPolarHBondContact O-CB 3.38Å; N711-A715 PolarHBondContact O-N 3.31Å
712	V	87	Confident	89	Confident	31 Å²	31	30 Å²	30	19%	0.188	16%	0.16	C	C	.	.	H	α-helix	trans	-58.1	-33.2	-175.9	71.3	0	0	0	0	114.1	R716 V733 E735 A767	V712-R716 WeakPolarHBondContact O-CB 3.25Å; V712-R716 PolarHBondContact O-N 3.02Å; V712-V733 HydrophobicContact CG2-CG1 3.6Å; V712-E735 HydrophobicContact CB-CG 4.06Å; V712-E735 HydrophobicContact CG2-CG 4.49Å; V712-A767 HydrophobicContact CB-CB 4.06Å; V712-A767 HydrophobicContact CG2-CB 4.3Å
713	N	84	Confident	88.9	Confident	74 Å²	74	30.8 Å²	30.8	40%	0.396	17%	0.168	S	C	.	.	H	α-helix	trans	-71.4	-51.4	-179.3	-67.9	-4.5	0	0	0	112.3	N711 A715 R716 S717	N711-N713 VanDerWaalsContact C-N 3.26Å; N711-N713 PolarHBondContact O-N 3.2Å; N713-A715 PolarHBondContact O-N 2.94Å; N713-R716 PolarHBondContact O-N 3.34Å; N713-S717 PolarHBondContact O-N 3.32Å
714	T	81.8	Confident	89	Confident	22 Å²	22	28.9 Å²	28.9	14%	0.135	16%	0.156	C	C	.	.	H	α-helix	trans	-63.9	-41.6	176.1	-58.4	0	0	0	0	111	G633 N711 R716 S717 I718	G633-T714 WeakPolarHBondContact CA-OG1 3.33Å; G633-T714 VanDerWaalsContact O-CG2 3.29Å; G633-T714 WeakPolarHBondContact O-CG2 3.2Å; G633-T714 PolarHBondContact O-OG1 2.82Å; N711-T714 PolarHBondContact ND2-OG1 3.31Å; N711-T714 PolarHBondContact O-N 2.88Å; N711-T714 VanDerWaalsContact OD1-CB 3.27Å; N711-T714 WeakPolarHBondContact OD1-CB 3.46Å; N711-T714 PolarHBondContact OD1-OG1 2.96Å; N711-T714 VanDerWaalsContact OD1-OG1 3.14Å; T714-R716 VanDerWaalsContact C-N 3.31Å; T714-R716 PolarHBondContact O-N 2.83Å; T714-S717 PolarHBondContact O-N 3.26Å; T714-I718 HydrophobicContact CG2-CG1 4.14Å; T714-I718 VanDerWaalsContact O-CG1 3.28Å; T714-I718 WeakPolarHBondContact O-CG1 3.09Å; T714-I718 PolarHBondContact O-N 2.83Å
715	A	86.9	Confident	88.8	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.7	-39.9	174.8	0	0	0	0	0	112.4	M706 T708 N711 N713 A719 V765 A767	M706-A715 HydrophobicContact SD-CB 4.17Å; T708-A715 HydrophobicContact CG2-CB 3.85Å; N711-A715 WeakPolarHBondContact O-CB 3.38Å; N711-A715 PolarHBondContact O-N 3.31Å; N713-A715 PolarHBondContact O-N 2.94Å; A715-A719 WeakPolarHBondContact O-CB 3.38Å; A715-A719 PolarHBondContact O-N 2.74Å; A715-V765 HydrophobicContact CB-CG1 3.73Å; A715-A767 HydrophobicContact CB-CB 3.96Å
716	R	89.3	Confident	88.3	Confident	110 Å²	110	34.5 Å²	34.5	42%	0.415	18%	0.183	S	C	.	.	H	α-helix	trans	-67.2	-44.7	174.7	-175.3	-172.8	-69.5	163.2	-1.8	112.4	V712 N713 T714 A719 M720 V733	V712-R716 WeakPolarHBondContact O-CB 3.25Å; V712-R716 PolarHBondContact O-N 3.02Å; N713-R716 PolarHBondContact O-N 3.34Å; T714-R716 VanDerWaalsContact C-N 3.31Å; T714-R716 PolarHBondContact O-N 2.83Å; R716-A719 PolarHBondContact O-N 2.71Å; R716-M720 HydrophobicContact CG-CE 3.81Å; R716-M720 PolarHBondContact O-N 3.36Å; R716-V733 HydrophobicContact CB-CG1 4.44Å
717	S	87.8	Confident	87.7	Confident	15 Å²	15	40.1 Å²	40.1	11%	0.105	22%	0.22	C	C	.	.	H	α-helix	trans	-60.3	-50.5	176.8	174.9	0	0	0	0	111.3	E632 N713 T714 A719 M720 K721	E632-S717 WeakPolarHBondContact O-CB 3.15Å; E632-S717 PolarHBondContact O-OG 3.4Å; N713-S717 PolarHBondContact O-N 3.32Å; T714-S717 PolarHBondContact O-N 3.26Å; S717-A719 VanDerWaalsContact C-N 3.31Å; S717-A719 PolarHBondContact O-N 2.65Å; S717-M720 PolarHBondContact O-N 2.69Å; S717-M720 VanDerWaalsContact O-N 3.14Å; S717-K721 PolarHBondContact O-N 3.42Å
718	I	89.4	Confident	87	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-63.8	-37.2	178	-59.1	-69.1	0	0	0	110.8	K463 T468 V686 M706 T714 M720 K721 C722	K463-I718 HydrophobicContact CD-CG1 4.26Å; K463-I718 HydrophobicContact CD-CG2 4.28Å; K463-I718 HydrophobicContact CG-CB 4.32Å; K463-I718 HydrophobicContact CG-CG2 3.74Å; T468-I718 HydrophobicContact CG2-CG2 4.27Å; V686-I718 HydrophobicContact CG2-CD1 4.09Å; V686-I718 HydrophobicContact CG2-CG2 3.81Å; M706-I718 HydrophobicContact CE-CB 4.02Å; M706-I718 HydrophobicContact CE-CG2 3.71Å; T714-I718 HydrophobicContact CG2-CG1 4.14Å; T714-I718 VanDerWaalsContact O-CG1 3.28Å; T714-I718 WeakPolarHBondContact O-CG1 3.09Å; T714-I718 PolarHBondContact O-N 2.83Å; I718-M720 VanDerWaalsContact C-N 3.32Å; I718-M720 PolarHBondContact O-N 3.24Å; I718-K721 HydrophobicContact CD1-CD 4.37Å; I718-K721 PolarHBondContact O-N 2.96Å; I718-C722 VanDerWaalsContact O-CB 3.26Å; I718-C722 WeakPolarHBondContact O-CB 3.5Å; I718-C722 PolarHBondContact O-N 3.22Å; I718-C722 PolarHBondContact O-SG 3.39Å
719	A	92.8	Very high	86.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.1	-35.2	175	0	0	0	0	0	113.2	M706 A715 R716 S717 G723 I724 I725 V765	M706-A719 HydrophobicContact CE-CB 3.98Å; A715-A719 WeakPolarHBondContact O-CB 3.38Å; A715-A719 PolarHBondContact O-N 2.74Å; R716-A719 PolarHBondContact O-N 2.71Å; S717-A719 VanDerWaalsContact C-N 3.31Å; S717-A719 PolarHBondContact O-N 2.65Å; A719-G723 PolarHBondContact O-N 3.11Å; A719-I724 HydrophobicContact CB-CB 4.24Å; A719-I724 PolarHBondContact O-N 3.5Å; A719-I725 HydrophobicContact CB-CD1 4.37Å; A719-I725 PolarHBondContact O-N 2.83Å; A719-V765 HydrophobicContact CB-CG2 3.45Å; A719-V765 VanDerWaalsContact CB-CG2 3.45Å
720	M	91	Very high	86.6	Confident	90 Å²	90	52.9 Å²	52.9	44%	0.443	30%	0.295	S	S	.	.	H	α-helix	trans	-70.3	-47.1	170.8	-74.4	-168.6	-101.4	0	0	112	R716 S717 I718 C722 G723	R716-M720 HydrophobicContact CG-CE 3.81Å; R716-M720 PolarHBondContact O-N 3.36Å; S717-M720 PolarHBondContact O-N 2.69Å; S717-M720 VanDerWaalsContact O-N 3.14Å; I718-M720 VanDerWaalsContact C-N 3.32Å; I718-M720 PolarHBondContact O-N 3.24Å; M720-C722 PolarHBondContact O-N 3.3Å; M720-G723 PolarHBondContact O-N 3.2Å
721	K	90.2	Very high	87	Confident	85 Å²	85	53.8 Å²	53.8	37%	0.37	30%	0.297	S	S	.	.	H	α-helix	trans	-56.7	-36.8	175.6	-68.8	-176.8	-175.8	-177.7	0	112.2	E683 V686 S717 I718	E683-K721 IonicContact OE1-NZ 3.7Å; E683-K721 PolarHBondContact OE1-NZ 2.62Å; E683-K721 IonicContact OE2-NZ 3.93Å; E683-K721 PolarHBondContact OE2-NZ 3.06Å; V686-K721 HydrophobicContact CG2-CB 4.05Å; S717-K721 PolarHBondContact O-N 3.42Å; I718-K721 HydrophobicContact CD1-CD 4.37Å; I718-K721 PolarHBondContact O-N 2.96Å
722	C	93.2	Very high	87.4	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-12.7	175.9	-70.9	0	0	0	0	114.9	V686 V690 I694 I718 M720 I724	V686-C722 VanDerWaalsContact CG1-SG 3.57Å; V690-C722 HydrophobicContact CG1-CB 4.22Å; I694-C722 HydrophobicContact CD1-CB 3.78Å; I694-C722 WeakPolarHBondContact CD1-O 3.29Å; I718-C722 VanDerWaalsContact O-CB 3.26Å; I718-C722 WeakPolarHBondContact O-CB 3.5Å; I718-C722 PolarHBondContact O-N 3.22Å; I718-C722 PolarHBondContact O-SG 3.39Å; M720-C722 PolarHBondContact O-N 3.3Å; C722-I724 HydrophobicContact CB-CD1 4.08Å; C722-I724 HydrophobicContact CB-CG1 3.97Å
723	G	92.9	Very high	87.7	Confident	17 Å²	17	53 Å²	53	18%	0.175	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	23.5	-173.6	0	0	0	0	0	115	Q698 A719 M720 I725	Q698-G723 PolarHBondContact NE2-O 3.48Å; A719-G723 PolarHBondContact O-N 3.11Å; M720-G723 PolarHBondContact O-N 3.2Å; G723-I725 VanDerWaalsContact C-N 3.34Å
724	I	94.6	Very high	88.1	Confident	4 Å²	4	50 Å²	50	2%	0.021	28%	0.276	C	S	.	.	S	Bend	trans	-75.9	-28.3	173.4	-61.9	175.8	0	0	0	110.9	L467 I694 V704 M706 A719 C722 R764	L467-I724 HydrophobicContact CD1-CD1 3.98Å; I694-I724 HydrophobicContact CD1-CD1 4.08Å; I694-I724 HydrophobicContact CD1-CG1 3.8Å; I694-I724 HydrophobicContact CG2-CG1 4.25Å; V704-I724 HydrophobicContact CG1-CD1 4.05Å; V704-I724 HydrophobicContact CG1-CG1 4.19Å; M706-I724 HydrophobicContact CB-CD1 4.2Å; M706-I724 HydrophobicContact CE-CD1 4.19Å; A719-I724 HydrophobicContact CB-CB 4.24Å; A719-I724 PolarHBondContact O-N 3.5Å; C722-I724 HydrophobicContact CB-CD1 4.08Å; C722-I724 HydrophobicContact CB-CG1 3.97Å; I724-R764 HydrophobicContact CG2-CB 4.29Å
725	I	91.8	Very high	88.6	Confident	15 Å²	15	52.5 Å²	52.5	8%	0.077	29%	0.286	C	S	.	.	S	Bend	trans	-132.4	132.2	172.4	-60.3	174.8	0	0	0	107.1	A719 G723 E729 V733 R764 V765	A719-I725 HydrophobicContact CB-CD1 4.37Å; A719-I725 PolarHBondContact O-N 2.83Å; G723-I725 VanDerWaalsContact C-N 3.34Å; I725-E729 HydrophobicContact CG2-CB 4.31Å; I725-V733 HydrophobicContact CD1-CG2 3.41Å; I725-V733 VanDerWaalsContact CD1-CG2 3.41Å; I725-R764 HydrophobicContact CD1-CB 3.96Å; I725-R764 HydrophobicContact CG1-CB 3.8Å; I725-R764 HydrophobicContact CG1-CG 4.24Å; I725-V765 HydrophobicContact CD1-CG2 3.82Å
726	Q	86.5	Confident	88.7	Confident	112 Å²	112	52.5 Å²	52.5	52%	0.523	29%	0.287	S	S	.	.			trans	-89.8	149	171.8	-55	-177.3	76	0	0	110.8	G728 E729	Q726-G728 PolarHBondContact O-N 2.83Å; Q726-E729 HydrophobicContact CB-CG 3.95Å; Q726-E729 PolarHBondContact N-OE2 2.73Å; Q726-E729 PolarHBondContact NE2-OE1 3.07Å; Q726-E729 PolarHBondContact O-N 3.07Å; Q726-E729 VanDerWaalsContact O-N 3.08Å
727	P	81.1	Confident	88.7	Confident	119 Å²	119	55.9 Å²	55.9	77%	0.773	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	122.8	174.8	-24.6	34.8	0	0	0	111.5
728	G	78.4	Confident	88.9	Confident	79 Å²	79	57.1 Å²	57.1	81%	0.814	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.9	-7.5	-177.6	0	0	0	0	0	115.8	Q726 N730	Q726-G728 PolarHBondContact O-N 2.83Å; G728-N730 PolarHBondContact O-N 2.99Å
729	E	80.6	Confident	89.1	Confident	64 Å²	64	57 Å²	57	30%	0.299	31%	0.308	S	S	.	.			trans	-75.9	122.5	174.1	-72.4	178.2	157.5	0	0	111.8	I725 Q726 F731	I725-E729 HydrophobicContact CG2-CB 4.31Å; Q726-E729 HydrophobicContact CB-CG 3.95Å; Q726-E729 PolarHBondContact N-OE2 2.73Å; Q726-E729 PolarHBondContact NE2-OE1 3.07Å; Q726-E729 PolarHBondContact O-N 3.07Å; Q726-E729 VanDerWaalsContact O-N 3.08Å; E729-F731 HydrophobicContact CB-CD2 3.74Å; E729-F731 HydrophobicContact CB-CE2 4.11Å; E729-F731 HydrophobicContact CB-CG 4.48Å; E729-F731 VanDerWaalsContact CD-CE2 3.48Å; E729-F731 HydrophobicContact CG-CD2 4.26Å; E729-F731 HydrophobicContact CG-CE2 4.15Å; E729-F731 PolarHBondContact O-N 2.64Å; E729-F731 VanDerWaalsContact OE2-CD2 3.32Å; E729-F731 WeakPolarHBondContact OE2-CD2 3.4Å; E729-F731 WeakPolarHBondContact OE2-CE2 3.4Å
730	N	80.1	Confident	89	Confident	169 Å²	169	58.4 Å²	58.4	90%	0.904	32%	0.315	S	S	*	.			trans	-74.5	40	176.6	-72.9	-33.9	0	0	0	113.6	G728	G728-N730 PolarHBondContact O-N 2.99Å
731	F	86.9	Confident	89	Confident	65 Å²	65	62.6 Å²	62.6	29%	0.285	33%	0.326	S	S	.	.			trans	-78.1	148	176.4	-74.8	-46.1	0	0	0	112.7	E729 V733 R764	E729-F731 HydrophobicContact CB-CD2 3.74Å; E729-F731 HydrophobicContact CB-CE2 4.11Å; E729-F731 HydrophobicContact CB-CG 4.48Å; E729-F731 VanDerWaalsContact CD-CE2 3.48Å; E729-F731 HydrophobicContact CG-CD2 4.26Å; E729-F731 HydrophobicContact CG-CE2 4.15Å; E729-F731 PolarHBondContact O-N 2.64Å; E729-F731 VanDerWaalsContact OE2-CD2 3.32Å; E729-F731 WeakPolarHBondContact OE2-CD2 3.4Å; E729-F731 WeakPolarHBondContact OE2-CE2 3.4Å; F731-V733 PolarHBondContact O-N 2.8Å; F731-R764 HydrophobicContact CB-CB 4.21Å; F731-R764 HydrophobicContact CB-CG 3.5Å; F731-R764 VanDerWaalsContact CB-CG 3.5Å; F731-R764 HydrophobicContact CD1-CG 4.21Å; F731-R764 HydrophobicContact CD2-CG 3.87Å; F731-R764 HydrophobicContact CG-CG 3.6Å; F731-R764 VanDerWaalsContact CZ-NH2 3.33Å
732	L	89.4	Confident	89.1	Confident	43 Å²	43	63.7 Å²	63.7	23%	0.225	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	123.9	-170.3	-166.3	78.9	0	0	0	111.2	I734 V759 N762 R764 V765	L732-I734 HydrophobicContact CD1-CG2 4.17Å; L732-I734 HydrophobicContact CD2-CD1 3.96Å; L732-I734 HydrophobicContact CD2-CG1 4.33Å; L732-I734 HydrophobicContact CD2-CG2 4.22Å; L732-I734 HydrophobicContact CG-CG2 3.96Å; L732-V759 HydrophobicContact CD2-CG1 3.86Å; L732-N762 HydrophobicContact CB-CB 4.3Å; L732-N762 PolarHBondContact N-O 3.43Å; L732-R764 PolarHBondContact O-N 3.09Å; L732-V765 PolarHBondContact O-N 2.82Å
733	V	92.2	Very high	89	Confident	26 Å²	26	63.7 Å²	63.7	16%	0.158	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	113.1	174.8	176.3	0	0	0	0	107.5	V712 R716 I725 F731 V765	V712-V733 HydrophobicContact CG2-CG1 3.6Å; R716-V733 HydrophobicContact CB-CG1 4.44Å; I725-V733 HydrophobicContact CD1-CG2 3.41Å; I725-V733 VanDerWaalsContact CD1-CG2 3.41Å; F731-V733 PolarHBondContact O-N 2.8Å; V733-V765 HydrophobicContact CB-CB 4.4Å; V733-V765 HydrophobicContact CG1-CB 4.04Å; V733-V765 HydrophobicContact CG1-CG1 4.2Å; V733-V765 HydrophobicContact CG2-CB 4.09Å; V733-V765 HydrophobicContact CG2-CG2 4.29Å
734	I	93.8	Very high	88.8	Confident	12 Å²	12	66.6 Å²	66.6	6%	0.062	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	161.4	-174.7	50.6	170.2	0	0	0	112.2	L732 E738 F739 V759 L763 V765 L766 A767	L732-I734 HydrophobicContact CD1-CG2 4.17Å; L732-I734 HydrophobicContact CD2-CD1 3.96Å; L732-I734 HydrophobicContact CD2-CG1 4.33Å; L732-I734 HydrophobicContact CD2-CG2 4.22Å; L732-I734 HydrophobicContact CG-CG2 3.96Å; I734-E738 HydrophobicContact CB-CG 4.36Å; I734-E738 HydrophobicContact CG2-CG 4.1Å; I734-F739 HydrophobicContact CD1-CB 3.84Å; I734-F739 HydrophobicContact CD1-CD2 4.12Å; I734-F739 HydrophobicContact CD1-CG 4.46Å; I734-V759 HydrophobicContact CD1-CG1 4.02Å; I734-L763 HydrophobicContact CD1-CD1 3.95Å; I734-L763 HydrophobicContact CG1-CD1 3.58Å; I734-V765 PolarHBondContact N-O 3.11Å; I734-V765 VanDerWaalsContact N-O 3.14Å; I734-L766 HydrophobicContact CG1-CD1 4.24Å; I734-L766 WeakPolarHBondContact O-CA 3.27Å; I734-A767 PolarHBondContact O-N 3.13Å
735	E	92.2	Very high	88.4	Confident	73 Å²	73	68.1 Å²	68.1	34%	0.341	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	155.2	173.8	-62.1	-162.8	142.3	0	0	112.7	V712 K737 E738 F739 A767 R768	V712-E735 HydrophobicContact CB-CG 4.06Å; V712-E735 HydrophobicContact CG2-CG 4.49Å; E735-K737 VanDerWaalsContact C-N 3.25Å; E735-K737 PolarHBondContact O-N 3.28Å; E735-K737 VanDerWaalsContact O-N 3.16Å; E735-E738 PolarHBondContact O-N 2.97Å; E735-F739 PolarHBondContact O-N 2.93Å; E735-A767 CarbonylContact C-O 3.54Å; E735-A767 VanDerWaalsContact CA-O 3.24Å; E735-A767 WeakPolarHBondContact CA-O 3.36Å; E735-R768 HydrophobicContact CB-CB 4.3Å; E735-R768 HydrophobicContact CG-CB 4.46Å; E735-R768 HydrophobicContact CG-CG 4.38Å; E735-R768 WeakPolarHBondContact OE1-CG 3.29Å
736	G	88.5	Confident	87.9	Confident	1 Å²	1	77.5 Å²	77.5	1%	0.01	38%	0.382	C	S	.	.	H	α-helix	trans	-51.1	-38.1	179	0	0	0	0	0	114.5	F739 N740 A767	G736-F739 PolarHBondContact O-N 3.24Å; G736-N740 PolarHBondContact O-N 3.44Å; G736-N740 PolarHBondContact O-ND2 2.91Å; G736-A767 PolarHBondContact N-O 3.08Å
737	K	89.4	Confident	87.6	Confident	181 Å²	181	76.5 Å²	76.5	79%	0.787	39%	0.393	S	S	*	.	H	α-helix	trans	-63.5	-42.4	175.6	-172.8	176.2	180	179.8	0	112.3	E735 R741	E735-K737 VanDerWaalsContact C-N 3.25Å; E735-K737 PolarHBondContact O-N 3.28Å; E735-K737 VanDerWaalsContact O-N 3.16Å; K737-R741 PolarHBondContact O-N 3.31Å; K737-R741 VanDerWaalsContact O-N 3.12Å
738	E	92.4	Very high	87.6	Confident	41 Å²	41	74.5 Å²	74.5	19%	0.192	38%	0.379	C	S	.	.	H	α-helix	trans	-74.2	-38.5	178.8	175.3	62.6	172.5	0	0	111.8	I734 E735 R741 R742	I734-E738 HydrophobicContact CB-CG 4.36Å; I734-E738 HydrophobicContact CG2-CG 4.1Å; E735-E738 PolarHBondContact O-N 2.97Å; E738-R741 VanDerWaalsContact CD-NH2 3.26Å; E738-R741 PolarHBondContact O-N 3.03Å; E738-R741 IonicContact OE1-CZ 2.82Å; E738-R741 IonicContact OE1-NH2 3.25Å; E738-R741 PolarHBondContact OE1-NH2 3.39Å; E738-R741 IonicContact OE2-CZ 2.69Å; E738-R741 IonicContact OE2-NE 3.15Å; E738-R741 PolarHBondContact OE2-NE 2.93Å; E738-R741 IonicContact OE2-NH2 3.82Å; E738-R741 PolarHBondContact OE2-NH2 3.03Å; E738-R742 WeakPolarHBondContact O-CG 3.23Å; E738-R742 PolarHBondContact O-N 3.22Å; E738-R742 IonicContact OE1-CZ 3.99Å; E738-R742 IonicContact OE1-NE 2.93Å; E738-R742 PolarHBondContact OE1-NE 2.96Å; E738-R742 IonicContact OE1-NH2 2.7Å; E738-R742 PolarHBondContact OE1-NH2 2.9Å
739	F	93.5	Very high	87.7	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-55.9	-50.6	172	174.2	-116.8	0	0	0	111.4	I734 E735 G736 R741 R742 I743 F756 V759 L763 L766 D773 L777	I734-F739 HydrophobicContact CD1-CB 3.84Å; I734-F739 HydrophobicContact CD1-CD2 4.12Å; I734-F739 HydrophobicContact CD1-CG 4.46Å; E735-F739 PolarHBondContact O-N 2.93Å; G736-F739 PolarHBondContact O-N 3.24Å; F739-R741 VanDerWaalsContact C-N 3.33Å; F739-R741 PolarHBondContact O-N 2.9Å; F739-R742 PolarHBondContact O-N 3.1Å; F739-I743 HydrophobicContact CD1-CD1 4.04Å; F739-I743 HydrophobicContact CD2-CD1 4.34Å; F739-I743 HydrophobicContact CD2-CG2 4.04Å; F739-I743 HydrophobicContact CE1-CD1 3.66Å; F739-I743 HydrophobicContact CE2-CD1 3.98Å; F739-I743 HydrophobicContact CE2-CG2 3.91Å; F739-I743 HydrophobicContact CG-CD1 4.38Å; F739-I743 HydrophobicContact CZ-CD1 3.64Å; F739-I743 WeakPolarHBondContact O-CG1 3.47Å; F739-I743 WeakPolarHBondContact O-CG2 3.33Å; F739-I743 PolarHBondContact O-N 3.28Å; F739-I743 VanDerWaalsContact O-N 3.1Å; F739-F756 HydrophobicContact CE2-CE2 4.16Å; F739-F756 AromaticContact CZ-CE2 3.91Å; F739-F756 HydrophobicContact CZ-CE2 3.91Å; F739-V759 HydrophobicContact CD2-CG1 4.31Å; F739-L763 HydrophobicContact CE2-CD2 4.33Å; F739-L766 HydrophobicContact CB-CD1 3.56Å; F739-L766 HydrophobicContact CD1-CD1 4.14Å; F739-L766 HydrophobicContact CD1-CD2 3.79Å; F739-L766 HydrophobicContact CD2-CD1 4.41Å; F739-L766 HydrophobicContact CE1-CD2 3.89Å; F739-L766 HydrophobicContact CG-CD1 3.82Å; F739-L766 HydrophobicContact CG-CD2 4.14Å; F739-L766 HydrophobicContact CZ-CD2 4.33Å; F739-D773 HydrophobicContact CD1-CB 4.35Å; F739-D773 HydrophobicContact CE1-CB 4.4Å; F739-L777 HydrophobicContact CE1-CB 4.29Å; F739-L777 HydrophobicContact CE2-CD1 4.1Å; F739-L777 HydrophobicContact CZ-CB 3.84Å; F739-L777 HydrophobicContact CZ-CD1 3.95Å; F739-L777 HydrophobicContact CZ-CG 4.46Å
740	N	90.2	Very high	87.9	Confident	31 Å²	31	76 Å²	76	17%	0.166	37%	0.373	C	S	.	.	H	α-helix	trans	-59.2	-41.1	174.6	-82.2	-76.4	0	0	0	112.8	G736 R742 R744 D773	G736-N740 PolarHBondContact O-N 3.44Å; G736-N740 PolarHBondContact O-ND2 2.91Å; N740-R742 VanDerWaalsContact C-N 3.29Å; N740-R742 PolarHBondContact O-N 3.08Å; N740-R744 WeakPolarHBondContact O-CB 3.49Å; N740-R744 WeakPolarHBondContact O-CD 3.22Å; N740-R744 VanDerWaalsContact O-CG 3.28Å; N740-R744 WeakPolarHBondContact O-CG 3.17Å; N740-R744 PolarHBondContact O-N 3.13Å; N740-R744 VanDerWaalsContact OD1-CZ 3.25Å; N740-R744 PolarHBondContact OD1-NE 2.91Å; N740-R744 PolarHBondContact OD1-NH2 3.49Å; N740-D773 PolarHBondContact ND2-OD1 3.2Å
741	R	91.1	Very high	88.1	Confident	178 Å²	178	70.8 Å²	70.8	67%	0.672	35%	0.347	S	S	*	.	H	α-helix	trans	-63.3	-33.5	178.3	-170.5	177.2	70	131.7	3.7	112.6	K737 E738 F739	K737-R741 PolarHBondContact O-N 3.31Å; K737-R741 VanDerWaalsContact O-N 3.12Å; E738-R741 VanDerWaalsContact CD-NH2 3.26Å; E738-R741 PolarHBondContact O-N 3.03Å; E738-R741 IonicContact OE1-CZ 2.82Å; E738-R741 IonicContact OE1-NH2 3.25Å; E738-R741 PolarHBondContact OE1-NH2 3.39Å; E738-R741 IonicContact OE2-CZ 2.69Å; E738-R741 IonicContact OE2-NE 3.15Å; E738-R741 PolarHBondContact OE2-NE 2.93Å; E738-R741 IonicContact OE2-NH2 3.82Å; E738-R741 PolarHBondContact OE2-NH2 3.03Å; F739-R741 VanDerWaalsContact C-N 3.33Å; F739-R741 PolarHBondContact O-N 2.9Å
742	R	91.8	Very high	88.1	Confident	107 Å²	107	72.1 Å²	72.1	40%	0.404	35%	0.35	S	S	.	.	H	α-helix	trans	-80.4	-41.7	-179.9	-69	-177.5	-172.3	-152.9	1.5	113.6	E738 F739 N740 L755 V759	E738-R742 WeakPolarHBondContact O-CG 3.23Å; E738-R742 PolarHBondContact O-N 3.22Å; E738-R742 IonicContact OE1-CZ 3.99Å; E738-R742 IonicContact OE1-NE 2.93Å; E738-R742 PolarHBondContact OE1-NE 2.96Å; E738-R742 IonicContact OE1-NH2 2.7Å; E738-R742 PolarHBondContact OE1-NH2 2.9Å; F739-R742 PolarHBondContact O-N 3.1Å; N740-R742 VanDerWaalsContact C-N 3.29Å; N740-R742 PolarHBondContact O-N 3.08Å; R742-L755 WeakPolarHBondContact O-CB 3.44Å; R742-V759 HydrophobicContact CB-CG2 3.95Å
743	I	91.5	Very high	88	Confident	0 Å²	0	73 Å²	73	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-87.7	-9.7	-170.7	72.3	-174.9	0	0	0	114.6	F739 V751 R752 F756 V759 T776	F739-I743 HydrophobicContact CD1-CD1 4.04Å; F739-I743 HydrophobicContact CD2-CD1 4.34Å; F739-I743 HydrophobicContact CD2-CG2 4.04Å; F739-I743 HydrophobicContact CE1-CD1 3.66Å; F739-I743 HydrophobicContact CE2-CD1 3.98Å; F739-I743 HydrophobicContact CE2-CG2 3.91Å; F739-I743 HydrophobicContact CG-CD1 4.38Å; F739-I743 HydrophobicContact CZ-CD1 3.64Å; F739-I743 WeakPolarHBondContact O-CG1 3.47Å; F739-I743 WeakPolarHBondContact O-CG2 3.33Å; F739-I743 PolarHBondContact O-N 3.28Å; F739-I743 VanDerWaalsContact O-N 3.1Å; I743-V751 HydrophobicContact CB-CG1 4.27Å; I743-V751 HydrophobicContact CD1-CG1 4.14Å; I743-V751 HydrophobicContact CD1-CG2 4.27Å; I743-V751 HydrophobicContact CG1-CG1 4.08Å; I743-V751 HydrophobicContact CG1-CG2 4.3Å; I743-V751 WeakPolarHBondContact O-CA 3.46Å; I743-R752 PolarHBondContact O-N 3.5Å; I743-F756 HydrophobicContact CB-CB 4.42Å; I743-F756 HydrophobicContact CB-CD2 4.2Å; I743-F756 HydrophobicContact CD1-CD2 4.22Å; I743-F756 HydrophobicContact CG2-CB 4.38Å; I743-F756 HydrophobicContact CG2-CD2 3.92Å; I743-V759 HydrophobicContact CG2-CB 4.46Å; I743-V759 HydrophobicContact CG2-CG2 4.39Å; I743-T776 HydrophobicContact CD1-CG2 3.74Å
744	R	89.5	Confident	87.8	Confident	79 Å²	79	75.5 Å²	75.5	30%	0.298	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-101.9	144.8	-177.2	-66.7	173.8	-175.2	-91	1.2	111.4	N740 G749 K750 V751	N740-R744 WeakPolarHBondContact O-CB 3.49Å; N740-R744 WeakPolarHBondContact O-CD 3.22Å; N740-R744 VanDerWaalsContact O-CG 3.28Å; N740-R744 WeakPolarHBondContact O-CG 3.17Å; N740-R744 PolarHBondContact O-N 3.13Å; N740-R744 VanDerWaalsContact OD1-CZ 3.25Å; N740-R744 PolarHBondContact OD1-NE 2.91Å; N740-R744 PolarHBondContact OD1-NH2 3.49Å; R744-G749 WeakPolarHBondContact CD-O 3.48Å; R744-G749 PolarHBondContact NH1-O 2.89Å; R744-K750 WeakPolarHBondContact CA-O 3.31Å; R744-V751 HydrophobicContact CG-CG2 4.04Å
745	D	85.4	Confident	87.5	Confident	36 Å²	36	76.5 Å²	76.5	19%	0.193	37%	0.371	C	S	.	.			trans	-66.4	132.7	167.5	-159.1	-50	0	0	0	110.3	A747 T748 G749 K750 R752	D745-A747 PolarHBondContact O-N 3.49Å; D745-A747 WeakPolarHBondContact OD1-CB 3.31Å; D745-A747 PolarHBondContact OD1-N 2.8Å; D745-T748 WeakPolarHBondContact CB-OG1 3.34Å; D745-G749 WeakPolarHBondContact O-CA 3.45Å; D745-G749 PolarHBondContact O-N 3.35Å; D745-K750 PolarHBondContact N-O 3.44Å; D745-R752 HydrophobicContact CB-CG 3.96Å; D745-R752 WeakPolarHBondContact OD2-CD 3.47Å; D745-R752 IonicContact OD2-CZ 3.95Å; D745-R752 IonicContact OD2-NE 2.63Å; D745-R752 IonicContact OD2-NH1 3.23Å; D745-R752 PolarHBondContact OD2-NH1 2.84Å
746	K	82.3	Confident	87.5	Confident	212 Å²	212	73.1 Å²	73.1	92%	0.922	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-31.1	175.3	-66.3	-179.1	-178.6	175.8	0	112.4
747	A	79.9	Confident	87.6	Confident	91 Å²	91	74.3 Å²	74.3	75%	0.752	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-31.6	-177.3	0	0	0	0	0	113.3	D745	D745-A747 PolarHBondContact O-N 3.49Å; D745-A747 WeakPolarHBondContact OD1-CB 3.31Å; D745-A747 PolarHBondContact OD1-N 2.8Å
748	T	80.7	Confident	87.5	Confident	77 Å²	77	71.6 Å²	71.6	47%	0.472	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-7.8	-172.5	72.8	0	0	0	0	115.3	D745 K750	D745-T748 WeakPolarHBondContact CB-OG1 3.34Å; T748-K750 PolarHBondContact O-N 2.55Å
749	G	79.7	Confident	87.4	Confident	40 Å²	40	70.1 Å²	70.1	41%	0.412	35%	0.345	S	S	.	.			trans	64.5	-4.1	-176.9	0	0	0	0	0	115.3	R744 D745	R744-G749 WeakPolarHBondContact CD-O 3.48Å; R744-G749 PolarHBondContact NH1-O 2.89Å; D745-G749 WeakPolarHBondContact O-CA 3.45Å; D745-G749 PolarHBondContact O-N 3.35Å
750	K	85	Confident	87.3	Confident	134 Å²	134	70.7 Å²	70.7	58%	0.583	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-82.9	145.2	-178.8	-68.5	158.1	-170.7	160.8	0	109.8	R744 D745 T748 R752	R744-K750 WeakPolarHBondContact CA-O 3.31Å; D745-K750 PolarHBondContact N-O 3.44Å; T748-K750 PolarHBondContact O-N 2.55Å; K750-R752 PolarHBondContact O-N 3.49Å
751	V	84.1	Confident	87.3	Confident	59 Å²	59	72.8 Å²	72.8	36%	0.358	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-69.6	125.7	177.3	-179.6	0	0	0	0	109	I743 R744 F756 T776	I743-V751 HydrophobicContact CB-CG1 4.27Å; I743-V751 HydrophobicContact CD1-CG1 4.14Å; I743-V751 HydrophobicContact CD1-CG2 4.27Å; I743-V751 HydrophobicContact CG1-CG1 4.08Å; I743-V751 HydrophobicContact CG1-CG2 4.3Å; I743-V751 WeakPolarHBondContact O-CA 3.46Å; R744-V751 HydrophobicContact CG-CG2 4.04Å; V751-F756 HydrophobicContact CG1-CD2 4.43Å; V751-T776 HydrophobicContact CG1-CG2 4.37Å; V751-T776 HydrophobicContact CG2-CG2 3.83Å
752	R	87.7	Confident	87.3	Confident	93 Å²	93	68.5 Å²	68.5	35%	0.351	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-101.6	142	172.1	-45.2	-154.2	-52.7	-130.5	5.2	111	I743 D745 K750 D754 L755 F756	I743-R752 PolarHBondContact O-N 3.5Å; D745-R752 HydrophobicContact CB-CG 3.96Å; D745-R752 WeakPolarHBondContact OD2-CD 3.47Å; D745-R752 IonicContact OD2-CZ 3.95Å; D745-R752 IonicContact OD2-NE 2.63Å; D745-R752 IonicContact OD2-NH1 3.23Å; D745-R752 PolarHBondContact OD2-NH1 2.84Å; K750-R752 PolarHBondContact O-N 3.49Å; R752-D754 WeakPolarHBondContact CB-OD1 3.39Å; R752-D754 IonicContact CZ-OD2 2.66Å; R752-D754 VanDerWaalsContact CZ-OD2 3.28Å; R752-D754 IonicContact NE-OD1 2.69Å; R752-D754 PolarHBondContact NE-OD1 2.98Å; R752-D754 IonicContact NE-OD2 2.72Å; R752-D754 PolarHBondContact NE-OD2 3.03Å; R752-D754 IonicContact NH2-OD2 2.96Å; R752-D754 PolarHBondContact NH2-OD2 3.08Å; R752-L755 HydrophobicContact CB-CD1 4.42Å; R752-L755 HydrophobicContact CB-CG 4.37Å; R752-L755 HydrophobicContact CG-CD1 4.35Å; R752-F756 VanDerWaalsContact O-CB 3.25Å; R752-F756 WeakPolarHBondContact O-CB 3.4Å; R752-F756 PolarHBondContact O-N 3.47Å; R752-F756 VanDerWaalsContact O-N 3.07Å
753	Q	87.4	Confident	87.4	Confident	62 Å²	62	63.5 Å²	63.5	29%	0.29	33%	0.329	S	S	.	.	H	α-helix	trans	-74	-29.4	-175.7	-169.1	69.2	58.1	0	0	112.6	F756 D757 G780	Q753-F756 PolarHBondContact O-N 3.32Å; Q753-D757 PolarHBondContact NE2-OD1 3.35Å; Q753-D757 VanDerWaalsContact O-CB 3.26Å; Q753-D757 WeakPolarHBondContact O-CB 3.49Å; Q753-D757 VanDerWaalsContact O-CG 3.29Å; Q753-D757 PolarHBondContact O-N 2.84Å; Q753-G780 PolarHBondContact NE2-O 3.5Å
754	D	86.8	Confident	87.5	Confident	78 Å²	78	64.9 Å²	64.9	42%	0.417	34%	0.335	S	S	.	.	H	α-helix	trans	-63.1	-55.6	174.6	49.2	-69.2	0	0	0	111.7	R752 F756 D757 Q758	R752-D754 WeakPolarHBondContact CB-OD1 3.39Å; R752-D754 IonicContact CZ-OD2 2.66Å; R752-D754 VanDerWaalsContact CZ-OD2 3.28Å; R752-D754 IonicContact NE-OD1 2.69Å; R752-D754 PolarHBondContact NE-OD1 2.98Å; R752-D754 IonicContact NE-OD2 2.72Å; R752-D754 PolarHBondContact NE-OD2 3.03Å; R752-D754 IonicContact NH2-OD2 2.96Å; R752-D754 PolarHBondContact NH2-OD2 3.08Å; D754-F756 VanDerWaalsContact C-N 3.26Å; D754-F756 PolarHBondContact O-N 2.75Å; D754-D757 PolarHBondContact O-N 2.84Å; D754-Q758 PolarHBondContact O-N 3.33Å
755	L	88.7	Confident	87.8	Confident	34 Å²	34	61.1 Å²	61.1	18%	0.178	32%	0.321	C	S	.	.	H	α-helix	trans	-59.8	-37.1	174.1	-60.6	-179.1	0	0	0	112.2	R742 R752 V759	R742-L755 WeakPolarHBondContact O-CB 3.44Å; R752-L755 HydrophobicContact CB-CD1 4.42Å; R752-L755 HydrophobicContact CB-CG 4.37Å; R752-L755 HydrophobicContact CG-CD1 4.35Å; L755-V759 WeakPolarHBondContact O-CG2 3.43Å
756	F	91.9	Very high	88.3	Confident	1 Å²	1	59.5 Å²	59.5	0%	0.004	31%	0.312	C	S	.	.	H	α-helix	trans	-64	-46.8	175.4	-174.8	-84.9	0	0	0	112.1	F739 I743 V751 R752 Q753 D754 Q758 V759 W760 L777 G780 I781	F739-F756 HydrophobicContact CE2-CE2 4.16Å; F739-F756 AromaticContact CZ-CE2 3.91Å; F739-F756 HydrophobicContact CZ-CE2 3.91Å; I743-F756 HydrophobicContact CB-CB 4.42Å; I743-F756 HydrophobicContact CB-CD2 4.2Å; I743-F756 HydrophobicContact CD1-CD2 4.22Å; I743-F756 HydrophobicContact CG2-CB 4.38Å; I743-F756 HydrophobicContact CG2-CD2 3.92Å; V751-F756 HydrophobicContact CG1-CD2 4.43Å; R752-F756 VanDerWaalsContact O-CB 3.25Å; R752-F756 WeakPolarHBondContact O-CB 3.4Å; R752-F756 PolarHBondContact O-N 3.47Å; R752-F756 VanDerWaalsContact O-N 3.07Å; Q753-F756 PolarHBondContact O-N 3.32Å; D754-F756 VanDerWaalsContact C-N 3.26Å; D754-F756 PolarHBondContact O-N 2.75Å; F756-Q758 PolarHBondContact O-N 3.03Å; F756-V759 PolarHBondContact O-N 3.37Å; F756-W760 HydrophobicContact CD1-CB 4.35Å; F756-W760 AromaticContact CD1-CD1 3.32Å; F756-W760 HydrophobicContact CD1-CG 4.09Å; F756-W760 HydrophobicContact CE1-CB 3.68Å; F756-W760 AromaticContact CE1-CD1 3.18Å; F756-W760 AromaticContact CE1-CG 3.53Å; F756-W760 HydrophobicContact CE1-CG 3.53Å; F756-W760 AromaticContact CE1-NE1 3.99Å; F756-W760 HydrophobicContact CZ-CB 3.95Å; F756-W760 HydrophobicContact CZ-CG 4.27Å; F756-W760 VanDerWaalsContact O-CD1 3.31Å; F756-W760 PolarHBondContact O-N 2.88Å; F756-W760 VanDerWaalsContact O-N 3.12Å; F756-L777 HydrophobicContact CE2-CD1 4.39Å; F756-L777 HydrophobicContact CZ-CD1 4.02Å; F756-L777 WeakPolarHBondContact CZ-O 3.28Å; F756-G780 VanDerWaalsContact CE1-CA 3.45Å; F756-G780 VanDerWaalsContact CZ-CA 3.44Å; F756-I781 HydrophobicContact CE1-CG1 4.03Å; F756-I781 VanDerWaalsContact CE1-N 3.35Å; F756-I781 HydrophobicContact CZ-CG1 4Å
757	D	89.8	Confident	88.7	Confident	26 Å²	26	49.4 Å²	49.4	14%	0.139	27%	0.268	C	S	.	.	H	α-helix	trans	-64.3	-26.4	-177.4	-80.9	-0.2	0	0	0	112.6	Q753 D754 V759 W760 I761 S784 R785 A786	Q753-D757 PolarHBondContact NE2-OD1 3.35Å; Q753-D757 VanDerWaalsContact O-CB 3.26Å; Q753-D757 WeakPolarHBondContact O-CB 3.49Å; Q753-D757 VanDerWaalsContact O-CG 3.29Å; Q753-D757 PolarHBondContact O-N 2.84Å; D754-D757 PolarHBondContact O-N 2.84Å; D757-V759 VanDerWaalsContact C-N 3.31Å; D757-V759 PolarHBondContact O-N 3.2Å; D757-W760 PolarHBondContact OD1-NE1 3.14Å; D757-I761 VanDerWaalsContact O-CD1 3.28Å; D757-I761 WeakPolarHBondContact O-CD1 3.33Å; D757-I761 WeakPolarHBondContact O-CG1 3.48Å; D757-S784 WeakPolarHBondContact OD1-CB 3.45Å; D757-S784 PolarHBondContact OD1-OG 2.88Å; D757-S784 PolarHBondContact OD2-OG 3Å; D757-R785 PolarHBondContact OD2-N 3.38Å; D757-A786 HydrophobicContact CB-CB 4.28Å; D757-A786 PolarHBondContact OD2-N 2.89Å
758	Q	88.5	Confident	89	Confident	125 Å²	125	51.4 Å²	51.4	58%	0.584	26%	0.256	S	S	*	.	H	α-helix	trans	-68.4	-24.5	169.9	-65.7	172.9	9.1	0	0	113.9	D754 F756	D754-Q758 PolarHBondContact O-N 3.33Å; F756-Q758 PolarHBondContact O-N 3.03Å
759	V	90.9	Very high	89.3	Confident	10 Å²	10	48.3 Å²	48.3	6%	0.061	24%	0.238	C	C	.	.	H	α-helix	trans	-100.5	-49.2	-171.2	177.5	0	0	0	0	112.8	L732 I734 F739 R742 I743 L755 F756 D757 I761 N762 L763	L732-V759 HydrophobicContact CD2-CG1 3.86Å; I734-V759 HydrophobicContact CD1-CG1 4.02Å; F739-V759 HydrophobicContact CD2-CG1 4.31Å; R742-V759 HydrophobicContact CB-CG2 3.95Å; I743-V759 HydrophobicContact CG2-CB 4.46Å; I743-V759 HydrophobicContact CG2-CG2 4.39Å; L755-V759 WeakPolarHBondContact O-CG2 3.43Å; F756-V759 PolarHBondContact O-N 3.37Å; D757-V759 VanDerWaalsContact C-N 3.31Å; D757-V759 PolarHBondContact O-N 3.2Å; V759-I761 VanDerWaalsContact C-N 3.29Å; V759-I761 PolarHBondContact O-N 2.94Å; V759-N762 PolarHBondContact O-N 2.73Å; V759-L763 WeakPolarHBondContact O-CB 3.32Å; V759-L763 PolarHBondContact O-N 2.73Å; V759-L763 VanDerWaalsContact O-N 3.15Å
760	W	90.4	Very high	89.5	Confident	12 Å²	12	48.7 Å²	48.7	5%	0.045	23%	0.234	C	C	.	.	H	α-helix	trans	-69.3	-24.4	-166.3	77.4	-93.4	0	0	0	114.3	R705 F756 D757 L763 L777 I781 S784 Q791	R705-W760 PolarHBondContact NE-O 3.1Å; R705-W760 PolarHBondContact NH2-O 3.03Å; F756-W760 HydrophobicContact CD1-CB 4.35Å; F756-W760 AromaticContact CD1-CD1 3.32Å; F756-W760 HydrophobicContact CD1-CG 4.09Å; F756-W760 HydrophobicContact CE1-CB 3.68Å; F756-W760 AromaticContact CE1-CD1 3.18Å; F756-W760 AromaticContact CE1-CG 3.53Å; F756-W760 HydrophobicContact CE1-CG 3.53Å; F756-W760 AromaticContact CE1-NE1 3.99Å; F756-W760 HydrophobicContact CZ-CB 3.95Å; F756-W760 HydrophobicContact CZ-CG 4.27Å; F756-W760 VanDerWaalsContact O-CD1 3.31Å; F756-W760 PolarHBondContact O-N 2.88Å; F756-W760 VanDerWaalsContact O-N 3.12Å; D757-W760 PolarHBondContact OD1-NE1 3.14Å; W760-L763 PolarHBondContact O-N 2.91Å; W760-L777 HydrophobicContact CB-CD1 4.42Å; W760-I781 HydrophobicContact CB-CG1 4.08Å; W760-I781 HydrophobicContact CD2-CG1 3.85Å; W760-I781 HydrophobicContact CD2-CG2 4.45Å; W760-I781 HydrophobicContact CE3-CB 4.5Å; W760-I781 HydrophobicContact CE3-CD1 4.13Å; W760-I781 HydrophobicContact CE3-CG1 3.8Å; W760-I781 HydrophobicContact CE3-CG2 4.01Å; W760-I781 HydrophobicContact CG-CG1 3.96Å; W760-I781 HydrophobicContact CH2-CG2 4.38Å; W760-I781 HydrophobicContact CZ3-CG2 3.98Å; W760-S784 WeakPolarHBondContact CZ2-OG 3.36Å; W760-S784 PolarHBondContact NE1-OG 3.45Å; W760-Q791 HydrophobicContact CH2-CG 3.62Å; W760-Q791 HydrophobicContact CZ2-CG 4.24Å; W760-Q791 HydrophobicContact CZ3-CG 4.26Å
761	I	89.5	Confident	89.3	Confident	75 Å²	75	44.6 Å²	44.6	39%	0.385	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-51.9	-179.5	-62.3	175.6	0	0	0	109.8	R705 D757 V759 R764 A786	R705-I761 PolarHBondContact NH2-O 3.41Å; D757-I761 VanDerWaalsContact O-CD1 3.28Å; D757-I761 WeakPolarHBondContact O-CD1 3.33Å; D757-I761 WeakPolarHBondContact O-CG1 3.48Å; V759-I761 VanDerWaalsContact C-N 3.29Å; V759-I761 PolarHBondContact O-N 2.94Å; I761-R764 PolarHBondContact O-NH1 2.94Å; I761-A786 HydrophobicContact CD1-CB 4.09Å
762	N	90.8	Very high	89.2	Confident	87 Å²	87	46.9 Å²	46.9	47%	0.465	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-15.2	-178.6	-67.2	-14.7	0	0	0	113.4	L732 V759 R764	L732-N762 HydrophobicContact CB-CB 4.3Å; L732-N762 PolarHBondContact N-O 3.43Å; V759-N762 PolarHBondContact O-N 2.73Å; N762-R764 PolarHBondContact O-N 2.77Å
763	L	94.2	Very high	89.3	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	127.1	174.2	-173.2	62.6	0	0	0	111.8	R705 I734 F739 V759 W760 V765 L777	R705-L763 WeakPolarHBondContact CD-O 3.46Å; R705-L763 PolarHBondContact NE-O 3.39Å; I734-L763 HydrophobicContact CD1-CD1 3.95Å; I734-L763 HydrophobicContact CG1-CD1 3.58Å; F739-L763 HydrophobicContact CE2-CD2 4.33Å; V759-L763 WeakPolarHBondContact O-CB 3.32Å; V759-L763 PolarHBondContact O-N 2.73Å; V759-L763 VanDerWaalsContact O-N 3.15Å; W760-L763 PolarHBondContact O-N 2.91Å; L763-V765 WeakPolarHBondContact CD1-O 3.41Å; L763-L777 HydrophobicContact CD2-CD1 3.68Å; L763-L777 HydrophobicContact CD2-CD2 4.28Å
764	R	95	Very high	89.5	Confident	30 Å²	30	40.6 Å²	40.6	11%	0.113	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	-31.3	170.5	-67.3	-65.8	174.3	-82.8	-3.8	113.2	R705 M706 I724 I725 F731 L732 I761 N762	R705-R764 CarbonylContact C-O 3.47Å; R705-R764 WeakPolarHBondContact CA-O 3.37Å; M706-R764 PolarHBondContact N-O 3.47Å; I724-R764 HydrophobicContact CG2-CB 4.29Å; I725-R764 HydrophobicContact CD1-CB 3.96Å; I725-R764 HydrophobicContact CG1-CB 3.8Å; I725-R764 HydrophobicContact CG1-CG 4.24Å; F731-R764 HydrophobicContact CB-CB 4.21Å; F731-R764 HydrophobicContact CB-CG 3.5Å; F731-R764 VanDerWaalsContact CB-CG 3.5Å; F731-R764 HydrophobicContact CD1-CG 4.21Å; F731-R764 HydrophobicContact CD2-CG 3.87Å; F731-R764 HydrophobicContact CG-CG 3.6Å; F731-R764 VanDerWaalsContact CZ-NH2 3.33Å; L732-R764 PolarHBondContact O-N 3.09Å; I761-R764 PolarHBondContact O-NH1 2.94Å; N762-R764 PolarHBondContact O-N 2.77Å
765	V	95.4	Very high	89.6	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	122.7	178.8	179.2	0	0	0	0	110	M706 A715 A719 I725 L732 V733 I734 L763	M706-V765 HydrophobicContact CB-CG2 4.26Å; M706-V765 WeakPolarHBondContact O-CA 3.28Å; M706-V765 HydrophobicContact SD-CG1 4.5Å; A715-V765 HydrophobicContact CB-CG1 3.73Å; A719-V765 HydrophobicContact CB-CG2 3.45Å; A719-V765 VanDerWaalsContact CB-CG2 3.45Å; I725-V765 HydrophobicContact CD1-CG2 3.82Å; L732-V765 PolarHBondContact O-N 2.82Å; V733-V765 HydrophobicContact CB-CB 4.4Å; V733-V765 HydrophobicContact CG1-CB 4.04Å; V733-V765 HydrophobicContact CG1-CG1 4.2Å; V733-V765 HydrophobicContact CG2-CB 4.09Å; V733-V765 HydrophobicContact CG2-CG2 4.29Å; I734-V765 PolarHBondContact N-O 3.11Å; I734-V765 VanDerWaalsContact N-O 3.14Å; L763-V765 WeakPolarHBondContact CD1-O 3.41Å
766	L	95	Very high	89.7	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	101.6	167.3	-177.4	58.5	0	0	0	108.6	M706 V707 T708 I734 F739 D773 L777	M706-L766 PolarHBondContact O-N 3.39Å; V707-L766 WeakPolarHBondContact CA-O 3.5Å; V707-L766 HydrophobicContact CG1-CB 4.31Å; V707-L766 HydrophobicContact CG1-CD2 4.19Å; V707-L766 HydrophobicContact CG1-CG 4.49Å; T708-L766 PolarHBondContact N-O 2.91Å; I734-L766 HydrophobicContact CG1-CD1 4.24Å; I734-L766 WeakPolarHBondContact O-CA 3.27Å; F739-L766 HydrophobicContact CB-CD1 3.56Å; F739-L766 HydrophobicContact CD1-CD1 4.14Å; F739-L766 HydrophobicContact CD1-CD2 3.79Å; F739-L766 HydrophobicContact CD2-CD1 4.41Å; F739-L766 HydrophobicContact CE1-CD2 3.89Å; F739-L766 HydrophobicContact CG-CD1 3.82Å; F739-L766 HydrophobicContact CG-CD2 4.14Å; F739-L766 HydrophobicContact CZ-CD2 4.33Å; L766-D773 HydrophobicContact CD2-CB 4.4Å; L766-L777 HydrophobicContact CD2-CD2 4Å
767	A	90.9	Very high	89.8	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	166.9	178.4	0	0	0	0	0	111.3	T708 V712 A715 I734 E735 G736 S769	T708-A767 CarbonylContact O-C 3.42Å; T708-A767 VanDerWaalsContact O-C 3.27Å; T708-A767 WeakPolarHBondContact O-CA 3.4Å; V712-A767 HydrophobicContact CB-CB 4.06Å; V712-A767 HydrophobicContact CG2-CB 4.3Å; A715-A767 HydrophobicContact CB-CB 3.96Å; I734-A767 PolarHBondContact O-N 3.13Å; E735-A767 CarbonylContact C-O 3.54Å; E735-A767 VanDerWaalsContact CA-O 3.24Å; E735-A767 WeakPolarHBondContact CA-O 3.36Å; G736-A767 PolarHBondContact N-O 3.08Å; A767-S769 PolarHBondContact O-N 2.98Å
768	R	86.1	Confident	90	Very high	134 Å²	134	39 Å²	39	51%	0.506	19%	0.188	S	C	.	.	S	Bend	trans	45.3	36.5	-176.6	-64.1	-55.2	-163.2	-165.6	5.8	113.4	T708 G709 D710 E735	T708-R768 PolarHBondContact O-N 2.8Å; G709-R768 VanDerWaalsContact O-CD 3.26Å; G709-R768 WeakPolarHBondContact O-CD 3.26Å; G709-R768 PolarHBondContact O-NH1 3.19Å; D710-R768 WeakPolarHBondContact O-CD 3.22Å; D710-R768 PolarHBondContact O-N 2.84Å; E735-R768 HydrophobicContact CB-CB 4.3Å; E735-R768 HydrophobicContact CG-CB 4.46Å; E735-R768 HydrophobicContact CG-CG 4.38Å; E735-R768 WeakPolarHBondContact OE1-CG 3.29Å
769	S	87.1	Confident	90.1	Very high	12 Å²	12	33.7 Å²	33.7	8%	0.084	17%	0.165	C	C	.	.			trans	-77.3	129.1	-176.8	70.6	0	0	0	0	111.4	T708 A767	T708-S769 VanDerWaalsContact C-OG 3.25Å; T708-S769 PolarHBondContact N-OG 3.01Å; T708-S769 PolarHBondContact O-N 3.34Å; T708-S769 PolarHBondContact O-OG 3.19Å; A767-S769 PolarHBondContact O-N 2.98Å
770	S	83.3	Confident	90.1	Very high	47 Å²	47	33.5 Å²	33.5	33%	0.329	17%	0.165	S	C	.	.			trans	-74.7	161.9	163.4	71.7	0	0	0	0	111.2	Q772 D773 K774	S770-Q772 PolarHBondContact O-N 2.92Å; S770-D773 WeakPolarHBondContact CB-OD2 3.47Å; S770-D773 PolarHBondContact N-OD2 3.22Å; S770-D773 WeakPolarHBondContact O-CB 3.28Å; S770-D773 PolarHBondContact O-N 2.72Å; S770-D773 PolarHBondContact OG-N 3.46Å; S770-D773 PolarHBondContact OG-OD1 3.48Å; S770-D773 PolarHBondContact OG-OD2 2.79Å; S770-K774 PolarHBondContact O-N 2.83Å
771	P	81	Confident	90.2	Very high	48 Å²	48	32.9 Å²	32.9	31%	0.312	16%	0.163	S	C	.	.	H	α-helix	trans	-52.2	-38.6	171.6	-29	37.2	0	0	0	113	D773 K774 Y775 N801	P771-D773 VanDerWaalsContact C-N 3.3Å; P771-D773 PolarHBondContact O-N 2.77Å; P771-K774 WeakPolarHBondContact O-CB 3.45Å; P771-K774 PolarHBondContact O-N 2.96Å; P771-Y775 PolarHBondContact O-N 3.34Å; P771-N801 WeakPolarHBondContact CB-O 3.18Å; P771-N801 HydrophobicContact CG-CB 3.93Å; P771-N801 WeakPolarHBondContact CG-OD1 3.33Å
772	Q	83.6	Confident	90.2	Very high	107 Å²	107	29.6 Å²	29.6	50%	0.5	15%	0.146	S	C	.	.	H	α-helix	trans	-67.4	-30.1	178	-174	55.8	53.7	0	0	112.2	S770 T776	S770-Q772 PolarHBondContact O-N 2.92Å; Q772-T776 PolarHBondContact NE2-OG1 3.24Å; Q772-T776 VanDerWaalsContact O-CB 3.26Å; Q772-T776 WeakPolarHBondContact O-CB 3.45Å; Q772-T776 PolarHBondContact O-N 2.89Å; Q772-T776 PolarHBondContact O-OG1 3.08Å
773	D	89.7	Confident	90.1	Very high	9 Å²	9	29.3 Å²	29.3	5%	0.048	15%	0.145	C	C	.	.	H	α-helix	trans	-71.6	-39.6	175.7	-56.5	-36.1	0	0	0	111.2	F739 N740 L766 S770 P771 T776 L777	F739-D773 HydrophobicContact CD1-CB 4.35Å; F739-D773 HydrophobicContact CE1-CB 4.4Å; N740-D773 PolarHBondContact ND2-OD1 3.2Å; L766-D773 HydrophobicContact CD2-CB 4.4Å; S770-D773 WeakPolarHBondContact CB-OD2 3.47Å; S770-D773 PolarHBondContact N-OD2 3.22Å; S770-D773 WeakPolarHBondContact O-CB 3.28Å; S770-D773 PolarHBondContact O-N 2.72Å; S770-D773 PolarHBondContact OG-N 3.46Å; S770-D773 PolarHBondContact OG-OD1 3.48Å; S770-D773 PolarHBondContact OG-OD2 2.79Å; P771-D773 VanDerWaalsContact C-N 3.3Å; P771-D773 PolarHBondContact O-N 2.77Å; D773-T776 PolarHBondContact O-N 3Å; D773-L777 WeakPolarHBondContact O-CB 3.04Å; D773-L777 PolarHBondContact O-N 3.14Å
774	K	90.2	Very high	89.8	Confident	15 Å²	15	29.3 Å²	29.3	7%	0.065	15%	0.145	C	C	.	.	H	α-helix	trans	-58.2	-52.1	172.3	-51.5	-152.7	178.4	-170.6	0	110.8	D462 V707 S770 P771 T776 L777 V778 D802 A805	D462-K774 IonicContact OD1-NZ 3.4Å; D462-K774 PolarHBondContact OD1-NZ 3.45Å; V707-K774 HydrophobicContact CG1-CB 4.34Å; V707-K774 HydrophobicContact CG1-CD 4.02Å; V707-K774 HydrophobicContact CG1-CG 3.71Å; V707-K774 WeakPolarHBondContact O-CE 3.48Å; V707-K774 PolarHBondContact O-NZ 3.48Å; S770-K774 PolarHBondContact O-N 2.83Å; P771-K774 WeakPolarHBondContact O-CB 3.45Å; P771-K774 PolarHBondContact O-N 2.96Å; K774-T776 VanDerWaalsContact C-N 3.27Å; K774-T776 PolarHBondContact O-N 3.12Å; K774-L777 PolarHBondContact O-N 3.11Å; K774-V778 VanDerWaalsContact O-CG2 3.3Å; K774-V778 WeakPolarHBondContact O-CG2 3.34Å; K774-V778 PolarHBondContact O-N 3.36Å; K774-D802 WeakPolarHBondContact CD-OD1 3.36Å; K774-D802 WeakPolarHBondContact CE-OD1 3.34Å; K774-D802 IonicContact NZ-OD1 2.73Å; K774-D802 PolarHBondContact NZ-OD1 3.41Å; K774-A805 HydrophobicContact CB-CB 3.78Å
775	Y	89.8	Confident	89.2	Confident	89 Å²	89	36.4 Å²	36.4	35%	0.349	17%	0.171	S	C	.	.	H	α-helix	trans	-55.9	-41.9	175.4	176.7	-84.2	0	0	0	112.5	P771 S779 P804 R808	P771-Y775 PolarHBondContact O-N 3.34Å; Y775-S779 WeakPolarHBondContact CE1-OG 3.37Å; Y775-S779 WeakPolarHBondContact O-CB 3.5Å; Y775-S779 PolarHBondContact O-N 3.4Å; Y775-S779 PolarHBondContact O-OG 2.96Å; Y775-P804 HydrophobicContact CD2-CB 4.34Å; Y775-P804 WeakPolarHBondContact CD2-O 3.47Å; Y775-R808 HydrophobicContact CD2-CB 3.84Å; Y775-R808 HydrophobicContact CD2-CG 3.86Å; Y775-R808 HydrophobicContact CE2-CB 3.75Å; Y775-R808 HydrophobicContact CE2-CG 3.58Å
776	T	91.7	Very high	88.5	Confident	12 Å²	12	39.1 Å²	39.1	7%	0.074	19%	0.194	C	C	.	.	H	α-helix	trans	-70.4	-43.3	-177.2	-58.7	0	0	0	0	111.5	I743 V751 Q772 D773 K774 S779 G780	I743-T776 HydrophobicContact CD1-CG2 3.74Å; V751-T776 HydrophobicContact CG1-CG2 4.37Å; V751-T776 HydrophobicContact CG2-CG2 3.83Å; Q772-T776 PolarHBondContact NE2-OG1 3.24Å; Q772-T776 VanDerWaalsContact O-CB 3.26Å; Q772-T776 WeakPolarHBondContact O-CB 3.45Å; Q772-T776 PolarHBondContact O-N 2.89Å; Q772-T776 PolarHBondContact O-OG1 3.08Å; D773-T776 PolarHBondContact O-N 3Å; K774-T776 VanDerWaalsContact C-N 3.27Å; K774-T776 PolarHBondContact O-N 3.12Å; T776-S779 PolarHBondContact O-N 3Å; T776-G780 PolarHBondContact O-N 3.09Å
777	L	93.8	Very high	87.5	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-59.9	-51.7	173.9	179.2	62.9	0	0	0	111.4	V707 F739 F756 W760 L763 L766 D773 K774 S779 G780 I781	V707-L777 HydrophobicContact CG1-CD2 4.37Å; V707-L777 HydrophobicContact CG2-CD2 3.57Å; F739-L777 HydrophobicContact CE1-CB 4.29Å; F739-L777 HydrophobicContact CE2-CD1 4.1Å; F739-L777 HydrophobicContact CZ-CB 3.84Å; F739-L777 HydrophobicContact CZ-CD1 3.95Å; F739-L777 HydrophobicContact CZ-CG 4.46Å; F756-L777 HydrophobicContact CE2-CD1 4.39Å; F756-L777 HydrophobicContact CZ-CD1 4.02Å; F756-L777 WeakPolarHBondContact CZ-O 3.28Å; W760-L777 HydrophobicContact CB-CD1 4.42Å; L763-L777 HydrophobicContact CD2-CD1 3.68Å; L763-L777 HydrophobicContact CD2-CD2 4.28Å; L766-L777 HydrophobicContact CD2-CD2 4Å; D773-L777 WeakPolarHBondContact O-CB 3.04Å; D773-L777 PolarHBondContact O-N 3.14Å; K774-L777 PolarHBondContact O-N 3.11Å; L777-S779 PolarHBondContact O-N 3Å; L777-G780 PolarHBondContact O-N 2.94Å; L777-I781 HydrophobicContact CD1-CD1 3.85Å; L777-I781 HydrophobicContact CD1-CG1 4.28Å; L777-I781 HydrophobicContact CG-CD1 4.09Å; L777-I781 WeakPolarHBondContact O-CG1 3.22Å; L777-I781 PolarHBondContact O-N 2.77Å
778	V	93	Very high	86.5	Confident	3 Å²	3	46 Å²	46	2%	0.018	24%	0.24	C	C	.	.	H	α-helix	trans	-61.5	-46.4	179.4	174.1	0	0	0	0	110.7	C460 K774 G780 I781 I782 V793 V795 A805 R808 A809	C460-V778 HydrophobicContact CB-CG2 4.47Å; K774-V778 VanDerWaalsContact O-CG2 3.3Å; K774-V778 WeakPolarHBondContact O-CG2 3.34Å; K774-V778 PolarHBondContact O-N 3.36Å; V778-G780 PolarHBondContact O-N 3.27Å; V778-I781 PolarHBondContact O-N 3.09Å; V778-I782 HydrophobicContact CG1-CD1 3.81Å; V778-I782 VanDerWaalsContact O-CG1 3.25Å; V778-I782 WeakPolarHBondContact O-CG1 3.36Å; V778-I782 PolarHBondContact O-N 2.79Å; V778-I782 VanDerWaalsContact O-N 3.12Å; V778-V793 HydrophobicContact CG1-CG1 4.19Å; V778-V793 HydrophobicContact CG2-CG1 4.49Å; V778-V795 HydrophobicContact CB-CG2 4.36Å; V778-V795 HydrophobicContact CG1-CG2 3.89Å; V778-V795 HydrophobicContact CG2-CG2 3.46Å; V778-V795 VanDerWaalsContact CG2-CG2 3.46Å; V778-A805 HydrophobicContact CG2-CB 4.5Å; V778-R808 HydrophobicContact CG1-CG 4.23Å; V778-A809 HydrophobicContact CG1-CB 4.46Å
779	S	91.1	Very high	85.7	Confident	13 Å²	13	41.8 Å²	41.8	9%	0.091	23%	0.232	C	C	.	.	H	α-helix	trans	-59.2	-43.7	176.5	-70.4	0	0	0	0	113.1	Y775 T776 L777 N783 R808	Y775-S779 WeakPolarHBondContact CE1-OG 3.37Å; Y775-S779 WeakPolarHBondContact O-CB 3.5Å; Y775-S779 PolarHBondContact O-N 3.4Å; Y775-S779 PolarHBondContact O-OG 2.96Å; T776-S779 PolarHBondContact O-N 3Å; L777-S779 PolarHBondContact O-N 3Å; S779-N783 VanDerWaalsContact O-CB 3.3Å; S779-N783 WeakPolarHBondContact O-CB 3.45Å; S779-N783 PolarHBondContact O-N 3.38Å; S779-N783 PolarHBondContact O-ND2 3.28Å; S779-R808 WeakPolarHBondContact OG-CD 3.5Å; S779-R808 WeakPolarHBondContact OG-CG 3.34Å; S779-R808 PolarHBondContact OG-NE 2.97Å
780	G	91.6	Very high	85.5	Confident	6 Å²	6	45.6 Å²	45.6	6%	0.062	24%	0.244	C	C	.	.	H	α-helix	trans	-69.2	-41	-178.2	0	0	0	0	0	112.9	Q753 F756 T776 L777 V778 N783 S784	Q753-G780 PolarHBondContact NE2-O 3.5Å; F756-G780 VanDerWaalsContact CE1-CA 3.45Å; F756-G780 VanDerWaalsContact CZ-CA 3.44Å; T776-G780 PolarHBondContact O-N 3.09Å; L777-G780 PolarHBondContact O-N 2.94Å; V778-G780 PolarHBondContact O-N 3.27Å; G780-N783 PolarHBondContact O-N 3.14Å; G780-S784 WeakPolarHBondContact O-CB 3.24Å; G780-S784 PolarHBondContact O-N 2.83Å
781	I	92.6	Very high	85.7	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.8	-42.1	176.9	-61.2	170.7	0	0	0	110.4	F756 W760 L777 V778 N783 S784 Q791 V793	F756-I781 HydrophobicContact CE1-CG1 4.03Å; F756-I781 VanDerWaalsContact CE1-N 3.35Å; F756-I781 HydrophobicContact CZ-CG1 4Å; W760-I781 HydrophobicContact CB-CG1 4.08Å; W760-I781 HydrophobicContact CD2-CG1 3.85Å; W760-I781 HydrophobicContact CD2-CG2 4.45Å; W760-I781 HydrophobicContact CE3-CB 4.5Å; W760-I781 HydrophobicContact CE3-CD1 4.13Å; W760-I781 HydrophobicContact CE3-CG1 3.8Å; W760-I781 HydrophobicContact CE3-CG2 4.01Å; W760-I781 HydrophobicContact CG-CG1 3.96Å; W760-I781 HydrophobicContact CH2-CG2 4.38Å; W760-I781 HydrophobicContact CZ3-CG2 3.98Å; L777-I781 HydrophobicContact CD1-CD1 3.85Å; L777-I781 HydrophobicContact CD1-CG1 4.28Å; L777-I781 HydrophobicContact CG-CD1 4.09Å; L777-I781 WeakPolarHBondContact O-CG1 3.22Å; L777-I781 PolarHBondContact O-N 2.77Å; V778-I781 PolarHBondContact O-N 3.09Å; I781-N783 VanDerWaalsContact C-N 3.3Å; I781-N783 PolarHBondContact O-N 2.93Å; I781-S784 WeakPolarHBondContact O-CB 3.25Å; I781-S784 PolarHBondContact O-N 2.86Å; I781-Q791 HydrophobicContact CG2-CB 3.83Å; I781-Q791 HydrophobicContact CG2-CG 3.93Å; I781-V793 HydrophobicContact CB-CG2 3.83Å; I781-V793 HydrophobicContact CG2-CG2 3.4Å
782	I	89.2	Confident	86.2	Confident	6 Å²	6	42.1 Å²	42.1	3%	0.031	22%	0.219	C	C	.	.	H	α-helix	trans	-62.1	-39.1	176.1	-66.9	171.9	0	0	0	111.2	V778 R790 V793 R808 D810	V778-I782 HydrophobicContact CG1-CD1 3.81Å; V778-I782 VanDerWaalsContact O-CG1 3.25Å; V778-I782 WeakPolarHBondContact O-CG1 3.36Å; V778-I782 PolarHBondContact O-N 2.79Å; V778-I782 VanDerWaalsContact O-N 3.12Å; I782-R790 PolarHBondContact O-NE 2.99Å; I782-R790 PolarHBondContact O-NH2 3.41Å; I782-V793 HydrophobicContact CD1-CB 4.25Å; I782-V793 HydrophobicContact CD1-CG2 4.5Å; I782-V793 HydrophobicContact CG1-CB 3.87Å; I782-V793 HydrophobicContact CG1-CG2 3.61Å; I782-R808 VanDerWaalsContact CD1-O 3.29Å; I782-R808 WeakPolarHBondContact CD1-O 3.03Å; I782-D810 WeakPolarHBondContact CG1-OD2 3.43Å
783	N	88.1	Confident	86.6	Confident	81 Å²	81	37 Å²	37	43%	0.433	20%	0.195	S	C	.	.	H	α-helix	trans	-80.3	-20.4	-178.8	-70.6	-12.6	0	0	0	113.9	S779 G780 I781	S779-N783 VanDerWaalsContact O-CB 3.3Å; S779-N783 WeakPolarHBondContact O-CB 3.45Å; S779-N783 PolarHBondContact O-N 3.38Å; S779-N783 PolarHBondContact O-ND2 3.28Å; G780-N783 PolarHBondContact O-N 3.14Å; I781-N783 VanDerWaalsContact C-N 3.3Å; I781-N783 PolarHBondContact O-N 2.93Å
784	S	87.2	Confident	86.9	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.014	19%	0.193	C	C	.	.			trans	-53	149.6	-177.3	-174.3	0	0	0	0	113.8	D757 W760 G780 I781 A786	D757-S784 WeakPolarHBondContact OD1-CB 3.45Å; D757-S784 PolarHBondContact OD1-OG 2.88Å; D757-S784 PolarHBondContact OD2-OG 3Å; W760-S784 WeakPolarHBondContact CZ2-OG 3.36Å; W760-S784 PolarHBondContact NE1-OG 3.45Å; G780-S784 WeakPolarHBondContact O-CB 3.24Å; G780-S784 PolarHBondContact O-N 2.83Å; I781-S784 WeakPolarHBondContact O-CB 3.25Å; I781-S784 PolarHBondContact O-N 2.86Å; S784-A786 PolarHBondContact OG-N 2.82Å
785	R	82.7	Confident	87.2	Confident	179 Å²	179	36.2 Å²	36.2	68%	0.675	19%	0.192	S	C	*	.			trans	-129.5	1.8	177.7	-61.9	-176.4	-177.7	178	3.4	113.7	D757 A787	D757-R785 PolarHBondContact OD2-N 3.38Å; R785-A787 VanDerWaalsContact C-N 3.26Å; R785-A787 PolarHBondContact O-N 3.34Å
786	A	80.2	Confident	87.4	Confident	57 Å²	57	32 Å²	32	47%	0.471	18%	0.175	S	C	.	.	S	Bend	trans	-55.5	-41.5	175.3	0	0	0	0	0	112.1	D757 I761 S784	D757-A786 HydrophobicContact CB-CB 4.28Å; D757-A786 PolarHBondContact OD2-N 2.89Å; I761-A786 HydrophobicContact CD1-CB 4.09Å; S784-A786 PolarHBondContact OG-N 2.82Å
787	A	75.1	Confident	87.2	Confident	23 Å²	23	31.5 Å²	31.5	19%	0.19	17%	0.172	C	C	.	.	S	Bend	trans	-84.7	132.2	171.4	0	0	0	0	0	111.7	R785 S789	R785-A787 VanDerWaalsContact C-N 3.26Å; R785-A787 PolarHBondContact O-N 3.34Å; A787-S789 VanDerWaalsContact C-N 3.26Å; A787-S789 VanDerWaalsContact CB-O 3.31Å; A787-S789 WeakPolarHBondContact CB-O 3.25Å; A787-S789 CarbonylContact O-C 3.57Å; A787-S789 PolarHBondContact O-N 2.82Å
788	P	69.6	Low	86.7	Confident	121 Å²	121	32.4 Å²	32.4	79%	0.786	18%	0.177	S	C	*	.	S	Bend	trans	-67.1	-28.2	178.4	27	-34.5	0	0	0	112.6	T921	P788-T921 PolarHBondContact O-OG1 2.8Å
789	S	69.1	Low	85.8	Confident	47 Å²	47	32.8 Å²	32.8	33%	0.329	18%	0.181	S	C	.	.	S	Bend	trans	-81.5	104.2	157.1	38.8	0	0	0	0	108.9	A787 Q791	A787-S789 VanDerWaalsContact C-N 3.26Å; A787-S789 VanDerWaalsContact CB-O 3.31Å; A787-S789 WeakPolarHBondContact CB-O 3.25Å; A787-S789 CarbonylContact O-C 3.57Å; A787-S789 PolarHBondContact O-N 2.82Å; S789-Q791 PolarHBondContact O-N 2.85Å; S789-Q791 PolarHBondContact O-NE2 2.59Å
790	R	82.7	Confident	85	Confident	92 Å²	92	32.6 Å²	32.6	35%	0.347	18%	0.18	S	C	.	.			trans	-52.5	130.1	168.4	-85.5	-169.1	69	-149.4	-1.3	109.1	I782 R920	I782-R790 PolarHBondContact O-NE 2.99Å; I782-R790 PolarHBondContact O-NH2 3.41Å; R790-R920 HydrophobicContact CB-CB 4.37Å
791	Q	87.8	Confident	84.4	Confident	20 Å²	20	36.2 Å²	36.2	9%	0.093	20%	0.198	C	C	.	.			trans	-61.6	156.8	-175.4	-60.6	-62.3	-71.4	0	0	112.1	T457 W760 I781 S789 V793 R920	T457-Q791 VanDerWaalsContact CB-OE1 3.3Å; T457-Q791 WeakPolarHBondContact OG1-CA 3.39Å; T457-Q791 WeakPolarHBondContact OG1-CB 3.29Å; T457-Q791 VanDerWaalsContact OG1-CD 3.23Å; T457-Q791 PolarHBondContact OG1-OE1 3.24Å; W760-Q791 HydrophobicContact CH2-CG 3.62Å; W760-Q791 HydrophobicContact CZ2-CG 4.24Å; W760-Q791 HydrophobicContact CZ3-CG 4.26Å; I781-Q791 HydrophobicContact CG2-CB 3.83Å; I781-Q791 HydrophobicContact CG2-CG 3.93Å; S789-Q791 PolarHBondContact O-N 2.85Å; S789-Q791 PolarHBondContact O-NE2 2.59Å; Q791-V793 HydrophobicContact CB-CG2 4.49Å; Q791-R920 PolarHBondContact O-NH1 3.21Å
792	V	90.8	Very high	83.9	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.012	20%	0.199	C	C	.	.			trans	-124.7	118.2	168	179.1	0	0	0	0	106.9	T452 N455 T457 A458 D810 R920	T452-V792 HydrophobicContact CG2-CG1 3.77Å; N455-V792 HydrophobicContact CB-CG2 4.17Å; N455-V792 WeakPolarHBondContact O-CB 3.41Å; T457-V792 PolarHBondContact N-O 3.48Å; T457-V792 PolarHBondContact OG1-N 2.83Å; T457-V792 PolarHBondContact OG1-O 3.11Å; A458-V792 PolarHBondContact N-O 3.04Å; V792-D810 VanDerWaalsContact CA-OD2 3.28Å; V792-D810 WeakPolarHBondContact CA-OD2 3.45Å; V792-D810 HydrophobicContact CG1-CB 3.81Å; V792-R920 HydrophobicContact CG2-CG 3.63Å
793	V	93.5	Very high	83.5	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	114.3	-169.6	-174.6	0	0	0	0	110.2	V778 I781 I782 Q791 V795 D810 V811	V778-V793 HydrophobicContact CG1-CG1 4.19Å; V778-V793 HydrophobicContact CG2-CG1 4.49Å; I781-V793 HydrophobicContact CB-CG2 3.83Å; I781-V793 HydrophobicContact CG2-CG2 3.4Å; I782-V793 HydrophobicContact CD1-CB 4.25Å; I782-V793 HydrophobicContact CD1-CG2 4.5Å; I782-V793 HydrophobicContact CG1-CB 3.87Å; I782-V793 HydrophobicContact CG1-CG2 3.61Å; Q791-V793 HydrophobicContact CB-CG2 4.49Å; V793-V795 HydrophobicContact CG1-CG2 4.26Å; V793-D810 PolarHBondContact N-OD2 3.03Å; V793-D810 PolarHBondContact O-N 3.17Å; V793-V811 PolarHBondContact O-N 2.94Å
794	A	95.4	Very high	83.3	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	146.9	164	0	0	0	0	0	110.3	M453 A458 I459 C460 V811 F813	M453-A794 HydrophobicContact CE-CB 3.89Å; M453-A794 HydrophobicContact SD-CB 3.77Å; A458-A794 PolarHBondContact O-N 3.26Å; I459-A794 WeakPolarHBondContact CA-O 3.34Å; I459-A794 HydrophobicContact CG1-CB 4.06Å; C460-A794 PolarHBondContact N-O 3.22Å; A794-V811 CarbonylContact C-O 3.55Å; A794-V811 WeakPolarHBondContact CA-O 3.24Å; A794-V811 HydrophobicContact CB-CB 4.43Å; A794-F813 HydrophobicContact CB-CD2 4.45Å; A794-F813 HydrophobicContact CB-CE2 4.15Å
795	V	95.7	Very high	83.3	Confident	6 Å²	6	35.8 Å²	35.8	4%	0.036	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	138.4	177	179.5	0	0	0	0	109.3	C460 V778 V793 A805 L806 A809 V811 G812 F813	C460-V795 HydrophobicContact CB-CG2 4.41Å; C460-V795 VanDerWaalsContact O-CA 3.3Å; C460-V795 WeakPolarHBondContact O-CA 3.3Å; V778-V795 HydrophobicContact CB-CG2 4.36Å; V778-V795 HydrophobicContact CG1-CG2 3.89Å; V778-V795 HydrophobicContact CG2-CG2 3.46Å; V778-V795 VanDerWaalsContact CG2-CG2 3.46Å; V793-V795 HydrophobicContact CG1-CG2 4.26Å; V795-A805 HydrophobicContact CG1-CB 4.24Å; V795-L806 HydrophobicContact CB-CD2 4.18Å; V795-L806 HydrophobicContact CG1-CD2 3.91Å; V795-L806 HydrophobicContact CG1-CG 4.35Å; V795-L806 WeakPolarHBondContact O-CD2 3.49Å; V795-A809 HydrophobicContact CB-CB 3.93Å; V795-A809 HydrophobicContact CG2-CB 3.55Å; V795-V811 PolarHBondContact N-O 2.73Å; V795-G812 CarbonylContact O-C 3.57Å; V795-F813 PolarHBondContact O-N 3.04Å
796	T	94.3	Very high	83.6	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134.7	176.4	48.1	0	0	0	0	110.6	C460 S461 D462 F813 I839	C460-T796 PolarHBondContact O-N 2.92Å; S461-T796 WeakPolarHBondContact CA-OG1 3.22Å; S461-T796 WeakPolarHBondContact CB-OG1 3.46Å; S461-T796 PolarHBondContact OG-OG1 3.1Å; D462-T796 PolarHBondContact N-O 3.06Å; D462-T796 VanDerWaalsContact N-O 3.07Å; T796-F813 WeakPolarHBondContact CA-O 3.49Å; T796-F813 HydrophobicContact CG2-CB 3.51Å; T796-F813 HydrophobicContact CG2-CD2 4.07Å; T796-F813 HydrophobicContact CG2-CG 3.97Å; T796-I839 HydrophobicContact CG2-CD1 3.56Å; T796-I839 HydrophobicContact CG2-CG1 4.39Å
797	G	86.8	Confident	83.9	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	170.9	-180	0	0	0	0	0	114.1	D802 F813 M815	G797-D802 WeakPolarHBondContact CA-OD2 3.4Å; G797-F813 PolarHBondContact N-O 2.9Å; G797-F813 VanDerWaalsContact N-O 3.15Å; G797-M815 PolarHBondContact O-N 3.04Å
798	D	83.3	Confident	84.6	Confident	20 Å²	20	30.8 Å²	30.8	11%	0.107	17%	0.168	C	C	.	.			trans	-127.2	-30.1	-179.7	75.5	-25.9	0	0	0	113.4	G465 N470 D802 M815 G819 T820 A823	G465-D798 VanDerWaalsContact CA-OD2 3.28Å; G465-D798 WeakPolarHBondContact CA-OD2 3.45Å; N470-D798 PolarHBondContact ND2-OD2 3.46Å; D798-D802 PolarHBondContact N-OD2 3.32Å; D798-M815 HydrophobicContact CB-CB 4.24Å; D798-M815 HydrophobicContact CB-CG 3.95Å; D798-G819 WeakPolarHBondContact O-CA 3.48Å; D798-T820 WeakPolarHBondContact O-CB 3.48Å; D798-T820 PolarHBondContact O-N 2.8Å; D798-T820 PolarHBondContact O-OG1 3.32Å; D798-A823 WeakPolarHBondContact O-CB 3.4Å
799	G	75.6	Confident	85.6	Confident	11 Å²	11	25.8 Å²	25.8	11%	0.113	14%	0.137	C	C	.	.	S	Bend	trans	-89.9	160.9	-175.9	0	0	0	0	0	115.2	N801 D802	G799-N801 PolarHBondContact O-N 3.02Å; G799-D802 PolarHBondContact N-OD2 2.74Å; G799-D802 WeakPolarHBondContact O-CB 3.46Å; G799-D802 PolarHBondContact O-N 2.87Å
800	T	74.7	Confident	86.7	Confident	9 Å²	9	24.7 Å²	24.7	6%	0.055	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-56.1	-33.9	172.2	70	0	0	0	0	111.8	Y205 D802 G803 T820 V822	Y205-T800 HydrophobicContact CE1-CG2 4.29Å; Y205-T800 HydrophobicContact CE2-CG2 4.02Å; Y205-T800 PolarHBondContact OH-OG1 3.03Å; T800-D802 PolarHBondContact O-N 2.93Å; T800-D802 VanDerWaalsContact O-N 3.12Å; T800-G803 PolarHBondContact O-N 2.85Å; T800-T820 HydrophobicContact CG2-CG2 4.18Å; T800-T820 PolarHBondContact N-OG1 3.33Å; T800-V822 HydrophobicContact CG2-CB 3.91Å; T800-V822 HydrophobicContact CG2-CG1 4.31Å; T800-V822 HydrophobicContact CG2-CG2 3.84Å
801	N	77.7	Confident	87.2	Confident	83 Å²	83	20.4 Å²	20.4	44%	0.444	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-52	-25.5	171.1	-72.1	-44.1	0	0	0	114.8	P771 G799	P771-N801 WeakPolarHBondContact CB-O 3.18Å; P771-N801 HydrophobicContact CG-CB 3.93Å; P771-N801 WeakPolarHBondContact CG-OD1 3.33Å; G799-N801 PolarHBondContact O-N 3.02Å
802	D	82.1	Confident	87.5	Confident	4 Å²	4	19.4 Å²	19.4	2%	0.021	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-88.9	-19.5	178.8	-63	-47.1	0	0	0	112.7	K774 G797 D798 G799 T800 A805 L806	K774-D802 WeakPolarHBondContact CD-OD1 3.36Å; K774-D802 WeakPolarHBondContact CE-OD1 3.34Å; K774-D802 IonicContact NZ-OD1 2.73Å; K774-D802 PolarHBondContact NZ-OD1 3.41Å; G797-D802 WeakPolarHBondContact CA-OD2 3.4Å; D798-D802 PolarHBondContact N-OD2 3.32Å; G799-D802 PolarHBondContact N-OD2 2.74Å; G799-D802 WeakPolarHBondContact O-CB 3.46Å; G799-D802 PolarHBondContact O-N 2.87Å; T800-D802 PolarHBondContact O-N 2.93Å; T800-D802 VanDerWaalsContact O-N 3.12Å; D802-A805 CarbonylContact O-C 3.53Å; D802-A805 WeakPolarHBondContact O-CA 3.4Å; D802-A805 WeakPolarHBondContact O-CB 3.18Å; D802-A805 PolarHBondContact O-N 3.47Å; D802-L806 HydrophobicContact CB-CD1 3.89Å; D802-L806 HydrophobicContact CB-CG 4.2Å; D802-L806 WeakPolarHBondContact O-CG 3.33Å; D802-L806 PolarHBondContact O-N 3.35Å
803	G	80.6	Confident	87.7	Confident	6 Å²	6	19.3 Å²	19.3	6%	0.062	11%	0.106	C	C	.	.	H	α-helix	trans	-48.4	-50.2	-176.4	0	0	0	0	0	114.4	T800 A805 L806 K807	T800-G803 PolarHBondContact O-N 2.85Å; G803-A805 VanDerWaalsContact C-N 3.28Å; G803-A805 PolarHBondContact O-N 3.24Å; G803-L806 PolarHBondContact O-N 2.72Å; G803-K807 WeakPolarHBondContact O-CB 3.49Å; G803-K807 PolarHBondContact O-N 2.99Å
804	P	83.5	Confident	87.5	Confident	69 Å²	69	19.3 Å²	19.3	45%	0.448	11%	0.106	S	C	.	.	H	α-helix	trans	-61.6	-32.6	176.1	-25.1	35.4	0	0	0	113.8	Y775 R808	Y775-P804 HydrophobicContact CD2-CB 4.34Å; Y775-P804 WeakPolarHBondContact CD2-O 3.47Å; P804-R808 WeakPolarHBondContact O-CB 3.43Å; P804-R808 PolarHBondContact O-N 2.75Å
805	A	88.8	Confident	87.2	Confident	1 Å²	1	19.3 Å²	19.3	1%	0.008	11%	0.106	C	C	.	.	H	α-helix	trans	-79.3	-38.7	178.4	0	0	0	0	0	112	K774 V778 V795 D802 G803 R808 A809	K774-A805 HydrophobicContact CB-CB 3.78Å; V778-A805 HydrophobicContact CG2-CB 4.5Å; V795-A805 HydrophobicContact CG1-CB 4.24Å; D802-A805 CarbonylContact O-C 3.53Å; D802-A805 WeakPolarHBondContact O-CA 3.4Å; D802-A805 WeakPolarHBondContact O-CB 3.18Å; D802-A805 PolarHBondContact O-N 3.47Å; G803-A805 VanDerWaalsContact C-N 3.28Å; G803-A805 PolarHBondContact O-N 3.24Å; A805-R808 PolarHBondContact O-N 2.93Å; A805-A809 PolarHBondContact O-N 3.21Å
806	L	88.7	Confident	86.6	Confident	1 Å²	1	20 Å²	20	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-60.8	-57.2	174	-69.8	166.9	0	0	0	110.9	V795 D802 G803 R808 A809 F813 A823 A826	V795-L806 HydrophobicContact CB-CD2 4.18Å; V795-L806 HydrophobicContact CG1-CD2 3.91Å; V795-L806 HydrophobicContact CG1-CG 4.35Å; V795-L806 WeakPolarHBondContact O-CD2 3.49Å; D802-L806 HydrophobicContact CB-CD1 3.89Å; D802-L806 HydrophobicContact CB-CG 4.2Å; D802-L806 WeakPolarHBondContact O-CG 3.33Å; D802-L806 PolarHBondContact O-N 3.35Å; G803-L806 PolarHBondContact O-N 2.72Å; L806-R808 PolarHBondContact O-N 3.04Å; L806-A809 WeakPolarHBondContact O-CB 3.43Å; L806-A809 PolarHBondContact O-N 2.75Å; L806-F813 VanDerWaalsContact CD2-O 3.26Å; L806-F813 WeakPolarHBondContact CD2-O 3.25Å; L806-A823 HydrophobicContact CD1-CB 4.03Å; L806-A826 CarbonylContact C-O 3.53Å; L806-A826 HydrophobicContact CB-CB 4.03Å; L806-A826 HydrophobicContact CD1-CB 4.45Å
807	K	85.4	Confident	85.8	Confident	121 Å²	121	26.1 Å²	26.1	53%	0.526	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-9.6	178.4	-161.4	85.4	171	-166.6	0	113	G803 A826 D1152	G803-K807 WeakPolarHBondContact O-CB 3.49Å; G803-K807 PolarHBondContact O-N 2.99Å; K807-A826 HydrophobicContact CB-CB 4.34Å; K807-A826 PolarHBondContact N-O 3.28Å; K807-D1152 IonicContact NZ-OD2 3.21Å; K807-D1152 PolarHBondContact NZ-OD2 2.88Å
808	R	89.6	Confident	85.3	Confident	31 Å²	31	28 Å²	28	12%	0.117	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-15.9	174.3	178.7	56.9	-161.9	106	-5.4	113.7	Y775 V778 S779 I782 P804 A805 L806	Y775-R808 HydrophobicContact CD2-CB 3.84Å; Y775-R808 HydrophobicContact CD2-CG 3.86Å; Y775-R808 HydrophobicContact CE2-CB 3.75Å; Y775-R808 HydrophobicContact CE2-CG 3.58Å; V778-R808 HydrophobicContact CG1-CG 4.23Å; S779-R808 WeakPolarHBondContact OG-CD 3.5Å; S779-R808 WeakPolarHBondContact OG-CG 3.34Å; S779-R808 PolarHBondContact OG-NE 2.97Å; I782-R808 VanDerWaalsContact CD1-O 3.29Å; I782-R808 WeakPolarHBondContact CD1-O 3.03Å; P804-R808 WeakPolarHBondContact O-CB 3.43Å; P804-R808 PolarHBondContact O-N 2.75Å; A805-R808 PolarHBondContact O-N 2.93Å; L806-R808 PolarHBondContact O-N 3.04Å
809	A	92.2	Very high	85	Confident	17 Å²	17	27.5 Å²	27.5	14%	0.14	16%	0.161	C	C	.	.	S	Bend	trans	-62	175.8	-179.9	0	0	0	0	0	112.5	V778 V795 A805 L806 V811	V778-A809 HydrophobicContact CG1-CB 4.46Å; V795-A809 HydrophobicContact CB-CB 3.93Å; V795-A809 HydrophobicContact CG2-CB 3.55Å; A805-A809 PolarHBondContact O-N 3.21Å; L806-A809 WeakPolarHBondContact O-CB 3.43Å; L806-A809 PolarHBondContact O-N 2.75Å; A809-V811 WeakPolarHBondContact CB-O 3.48Å
810	D	91.4	Very high	85.2	Confident	24 Å²	24	28 Å²	28	13%	0.128	16%	0.161	C	C	.	.	S	Bend	trans	-89.7	-20.3	160.4	-57.3	-55.6	0	0	0	111.6	T452 I782 V792 V793 R920	T452-D810 HydrophobicContact CG2-CB 4.05Å; T452-D810 WeakPolarHBondContact CG2-O 3.18Å; I782-D810 WeakPolarHBondContact CG1-OD2 3.43Å; V792-D810 VanDerWaalsContact CA-OD2 3.28Å; V792-D810 WeakPolarHBondContact CA-OD2 3.45Å; V792-D810 HydrophobicContact CG1-CB 3.81Å; V793-D810 PolarHBondContact N-OD2 3.03Å; V793-D810 PolarHBondContact O-N 3.17Å; D810-R920 VanDerWaalsContact CG-NH2 3.26Å; D810-R920 IonicContact OD1-CZ 3.65Å; D810-R920 VanDerWaalsContact OD1-CZ 3.29Å; D810-R920 IonicContact OD1-NH1 2.83Å; D810-R920 PolarHBondContact OD1-NH1 2.92Å; D810-R920 IonicContact OD1-NH2 2.85Å; D810-R920 PolarHBondContact OD1-NH2 3.41Å; D810-R920 IonicContact OD2-CZ 2.64Å; D810-R920 IonicContact OD2-NH1 2.74Å; D810-R920 PolarHBondContact OD2-NH1 3.34Å; D810-R920 IonicContact OD2-NH2 2.71Å
811	V	93.2	Very high	85.5	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	119.6	163.8	179.6	0	0	0	0	109.3	A449 T452 M453 V793 A794 V795 A809 F813 D828 I829	A449-V811 HydrophobicContact CB-CG1 4.17Å; A449-V811 HydrophobicContact CB-CG2 4.17Å; T452-V811 HydrophobicContact CG2-CG2 3.96Å; M453-V811 HydrophobicContact CB-CG2 4.15Å; M453-V811 HydrophobicContact SD-CB 4.31Å; M453-V811 HydrophobicContact SD-CG1 4.33Å; M453-V811 HydrophobicContact SD-CG2 4.35Å; V793-V811 PolarHBondContact O-N 2.94Å; A794-V811 CarbonylContact C-O 3.55Å; A794-V811 WeakPolarHBondContact CA-O 3.24Å; A794-V811 HydrophobicContact CB-CB 4.43Å; V795-V811 PolarHBondContact N-O 2.73Å; A809-V811 WeakPolarHBondContact CB-O 3.48Å; V811-F813 HydrophobicContact CB-CE2 4.31Å; V811-F813 HydrophobicContact CG1-CD2 3.92Å; V811-F813 HydrophobicContact CG1-CE2 3.45Å; V811-F813 VanDerWaalsContact CG1-CE2 3.45Å; V811-F813 HydrophobicContact CG1-CZ 4.02Å; V811-D828 WeakPolarHBondContact CA-OD2 3.43Å; V811-D828 HydrophobicContact CG1-CB 4.5Å; V811-I829 HydrophobicContact CG1-CD1 4.04Å; V811-I829 HydrophobicContact CG1-CG1 4.35Å
812	G	93.7	Very high	85.5	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	135.3	169.9	0	0	0	0	0	112.2	V795 D828 I829	V795-G812 CarbonylContact O-C 3.57Å; G812-D828 PolarHBondContact N-OD2 3.25Å; G812-D828 PolarHBondContact O-N 3.18Å; G812-I829 PolarHBondContact O-N 2.97Å; G812-I829 VanDerWaalsContact O-N 3.07Å
813	F	94.9	Very high	85.6	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.1	173.7	-73.4	-94.7	0	0	0	111.4	M453 A794 V795 T796 G797 L806 V811 I829 L831 I839 A842	M453-F813 HydrophobicContact CE-CE2 3.53Å; M453-F813 HydrophobicContact CE-CZ 3.67Å; M453-F813 HydrophobicContact CG-CE2 4.4Å; M453-F813 HydrophobicContact CG-CZ 4.04Å; M453-F813 HydrophobicContact SD-CE2 3.56Å; M453-F813 VanDerWaalsContact SD-CE2 3.56Å; M453-F813 HydrophobicContact SD-CZ 3.79Å; A794-F813 HydrophobicContact CB-CD2 4.45Å; A794-F813 HydrophobicContact CB-CE2 4.15Å; V795-F813 PolarHBondContact O-N 3.04Å; T796-F813 WeakPolarHBondContact CA-O 3.49Å; T796-F813 HydrophobicContact CG2-CB 3.51Å; T796-F813 HydrophobicContact CG2-CD2 4.07Å; T796-F813 HydrophobicContact CG2-CG 3.97Å; G797-F813 PolarHBondContact N-O 2.9Å; G797-F813 VanDerWaalsContact N-O 3.15Å; L806-F813 VanDerWaalsContact CD2-O 3.26Å; L806-F813 WeakPolarHBondContact CD2-O 3.25Å; V811-F813 HydrophobicContact CB-CE2 4.31Å; V811-F813 HydrophobicContact CG1-CD2 3.92Å; V811-F813 HydrophobicContact CG1-CE2 3.45Å; V811-F813 VanDerWaalsContact CG1-CE2 3.45Å; V811-F813 HydrophobicContact CG1-CZ 4.02Å; F813-I829 VanDerWaalsContact CA-O 3.25Å; F813-I829 WeakPolarHBondContact CA-O 3.14Å; F813-I829 HydrophobicContact CD1-CB 3.87Å; F813-I829 HydrophobicContact CD1-CG2 3.99Å; F813-I829 HydrophobicContact CE1-CB 3.9Å; F813-I829 HydrophobicContact CE1-CD1 3.91Å; F813-I829 HydrophobicContact CE1-CG1 4.44Å; F813-I829 HydrophobicContact CE1-CG2 3.85Å; F813-I829 HydrophobicContact CZ-CD1 3.93Å; F813-L831 HydrophobicContact CD1-CD2 3.77Å; F813-L831 HydrophobicContact CD1-CG 4.22Å; F813-L831 HydrophobicContact CE1-CD2 4.12Å; F813-I839 HydrophobicContact CD1-CG1 4.21Å; F813-I839 HydrophobicContact CE1-CG1 4.25Å; F813-I839 HydrophobicContact CE1-CG2 4.33Å; F813-I839 HydrophobicContact CE2-CG2 4.22Å; F813-I839 HydrophobicContact CZ-CG2 3.99Å; F813-A842 HydrophobicContact CE1-CB 4.07Å; F813-A842 HydrophobicContact CZ-CB 4.04Å
814	A	90.3	Very high	85.8	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	149.7	170.3	0	0	0	0	0	112.3	A823 K824 S827 I829 I830 L831	A814-A823 HydrophobicContact CB-CB 4.41Å; A814-K824 HydrophobicContact CB-CB 4.4Å; A814-K824 HydrophobicContact CB-CG 4.04Å; A814-S827 WeakPolarHBondContact CB-OG 3.03Å; A814-I829 PolarHBondContact N-O 3.02Å; A814-I830 HydrophobicContact CB-CG1 4.45Å; A814-L831 PolarHBondContact O-N 3.28Å
815	M	88.6	Confident	85.7	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	131.7	165.4	-59.5	-52.2	105.6	0	0	109.5	T466 G797 D798 A818 G819 L831 D834	T466-M815 HydrophobicContact CG2-CE 3.83Å; T466-M815 HydrophobicContact CG2-SD 4.43Å; G797-M815 PolarHBondContact O-N 3.04Å; D798-M815 HydrophobicContact CB-CB 4.24Å; D798-M815 HydrophobicContact CB-CG 3.95Å; M815-A818 HydrophobicContact CB-CB 4.35Å; M815-G819 VanDerWaalsContact O-CA 3.25Å; M815-G819 WeakPolarHBondContact O-CA 3.4Å; M815-G819 PolarHBondContact O-N 2.66Å; M815-L831 HydrophobicContact CE-CD1 3.74Å; M815-L831 HydrophobicContact CE-CG 4.45Å; M815-L831 HydrophobicContact SD-CD1 4.38Å; M815-D834 WeakPolarHBondContact CB-OD1 3.37Å; M815-D834 HydrophobicContact SD-CB 4.06Å
816	G	82.4	Confident	85.4	Confident	21 Å²	21	26.8 Å²	26.8	22%	0.216	15%	0.149	C	C	.	.	S	Bend	trans	-78.6	-37.7	-179.3	0	0	0	0	0	113.3	K824 I830 L831 D834	G816-K824 WeakPolarHBondContact O-CE 3.47Å; G816-K824 PolarHBondContact O-NZ 3.15Å; G816-I830 VanDerWaalsContact CA-CG2 3.45Å; G816-L831 WeakPolarHBondContact CA-O 3.5Å; G816-L831 PolarHBondContact N-O 2.72Å; G816-D834 PolarHBondContact N-OD1 2.71Å
817	I	78.8	Confident	85.4	Confident	128 Å²	128	26.8 Å²	26.8	66%	0.656	15%	0.149	S	C	*	.	S	Bend	trans	-94.6	-52.9	-174.5	-51.9	168.8	0	0	0	110.5	D834	I817-D834 PolarHBondContact N-OD1 2.86Å
818	A	74.8	Confident	85.6	Confident	41 Å²	41	22.6 Å²	22.6	34%	0.339	13%	0.132	S	C	.	.	S	Bend	trans	-81.9	-19.7	179.9	0	0	0	0	0	113.8	M815 D834	M815-A818 HydrophobicContact CB-CB 4.35Å; A818-D834 WeakPolarHBondContact CB-OD2 3.14Å; A818-D834 PolarHBondContact N-OD2 3.1Å
819	G	77.6	Confident	85.7	Confident	8 Å²	8	21.1 Å²	21.1	8%	0.082	13%	0.126	C	C	.	.	S	Bend	trans	-75.6	144.5	-172.9	0	0	0	0	0	114.4	D798 M815 K824	D798-G819 WeakPolarHBondContact O-CA 3.48Å; M815-G819 VanDerWaalsContact O-CA 3.25Å; M815-G819 WeakPolarHBondContact O-CA 3.4Å; M815-G819 PolarHBondContact O-N 2.66Å; G819-K824 WeakPolarHBondContact O-CE 3.35Å; G819-K824 PolarHBondContact O-NZ 3.01Å
820	T	80.1	Confident	85.6	Confident	21 Å²	21	20.9 Å²	20.9	13%	0.129	12%	0.122	C	C	.	.			trans	-64.8	152	165.9	57.6	0	0	0	0	111.6	Y205 D798 T800 V822 A823 K824	Y205-T820 HydrophobicContact CE1-CG2 4.35Å; D798-T820 WeakPolarHBondContact O-CB 3.48Å; D798-T820 PolarHBondContact O-N 2.8Å; D798-T820 PolarHBondContact O-OG1 3.32Å; T800-T820 HydrophobicContact CG2-CG2 4.18Å; T800-T820 PolarHBondContact N-OG1 3.33Å; T820-V822 VanDerWaalsContact C-N 3.3Å; T820-V822 PolarHBondContact O-N 3.13Å; T820-A823 WeakPolarHBondContact O-CB 3.33Å; T820-A823 PolarHBondContact O-N 3.47Å; T820-A823 VanDerWaalsContact O-N 3.13Å; T820-A823 WeakPolarHBondContact OG1-CB 3.46Å; T820-A823 PolarHBondContact OG1-N 2.85Å; T820-K824 WeakPolarHBondContact O-CG 3.36Å; T820-K824 PolarHBondContact O-N 2.87Å
821	D	80.5	Confident	85.6	Confident	18 Å²	18	19.7 Å²	19.7	10%	0.096	12%	0.116	C	C	.	.	H	α-helix	trans	-71.8	-29.2	-179.9	-59	-29.6	0	0	0	111.4	G206 L208 A823 K824 E825	G206-D821 PolarHBondContact O-N 3.28Å; L208-D821 HydrophobicContact CB-CB 3.95Å; D821-A823 VanDerWaalsContact C-N 3.32Å; D821-A823 PolarHBondContact O-N 3.37Å; D821-K824 PolarHBondContact O-N 2.92Å; D821-K824 IonicContact OD1-NZ 2.77Å; D821-K824 PolarHBondContact OD1-NZ 3.38Å; D821-E825 WeakPolarHBondContact O-CB 3.35Å; D821-E825 PolarHBondContact O-N 3.04Å
822	V	78.8	Confident	85.3	Confident	19 Å²	19	21.8 Å²	21.8	12%	0.115	13%	0.129	C	C	.	.	H	α-helix	trans	-55.4	-44.9	166.4	-177.9	0	0	0	0	111.7	G206 H250 T800 T820 A826	G206-V822 PolarHBondContact O-N 3.44Å; H250-V822 HydrophobicContact CB-CG2 3.91Å; T800-V822 HydrophobicContact CG2-CB 3.91Å; T800-V822 HydrophobicContact CG2-CG1 4.31Å; T800-V822 HydrophobicContact CG2-CG2 3.84Å; T820-V822 VanDerWaalsContact C-N 3.3Å; T820-V822 PolarHBondContact O-N 3.13Å; V822-A826 VanDerWaalsContact O-CB 3.28Å; V822-A826 WeakPolarHBondContact O-CB 3.46Å; V822-A826 PolarHBondContact O-N 3.49Å
823	A	83.5	Confident	85	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-67.9	-43.2	177.5	0	0	0	0	0	111.5	D798 L806 A814 T820 D821 E825 A826 S827	D798-A823 WeakPolarHBondContact O-CB 3.4Å; L806-A823 HydrophobicContact CD1-CB 4.03Å; A814-A823 HydrophobicContact CB-CB 4.41Å; T820-A823 WeakPolarHBondContact O-CB 3.33Å; T820-A823 PolarHBondContact O-N 3.47Å; T820-A823 VanDerWaalsContact O-N 3.13Å; T820-A823 WeakPolarHBondContact OG1-CB 3.46Å; T820-A823 PolarHBondContact OG1-N 2.85Å; D821-A823 VanDerWaalsContact C-N 3.32Å; D821-A823 PolarHBondContact O-N 3.37Å; A823-E825 VanDerWaalsContact C-N 3.35Å; A823-E825 PolarHBondContact O-N 2.81Å; A823-A826 PolarHBondContact O-N 2.88Å; A823-S827 WeakPolarHBondContact O-CB 3.2Å; A823-S827 PolarHBondContact O-N 2.78Å; A823-S827 VanDerWaalsContact O-N 3.08Å
824	K	84.8	Confident	84.7	Confident	28 Å²	28	24.1 Å²	24.1	12%	0.122	14%	0.141	C	C	.	.	H	α-helix	trans	-58.2	-45.5	175.1	-68	170.6	-155.7	155	0	111.6	R445 A814 G816 G819 T820 D821 S827 I830	R445-K824 PolarHBondContact NH1-O 3.41Å; A814-K824 HydrophobicContact CB-CB 4.4Å; A814-K824 HydrophobicContact CB-CG 4.04Å; G816-K824 WeakPolarHBondContact O-CE 3.47Å; G816-K824 PolarHBondContact O-NZ 3.15Å; G819-K824 WeakPolarHBondContact O-CE 3.35Å; G819-K824 PolarHBondContact O-NZ 3.01Å; T820-K824 WeakPolarHBondContact O-CG 3.36Å; T820-K824 PolarHBondContact O-N 2.87Å; D821-K824 PolarHBondContact O-N 2.92Å; D821-K824 IonicContact OD1-NZ 2.77Å; D821-K824 PolarHBondContact OD1-NZ 3.38Å; K824-S827 PolarHBondContact O-N 2.66Å; K824-S827 PolarHBondContact O-OG 3.07Å; K824-I830 HydrophobicContact CB-CD1 3.78Å; K824-I830 HydrophobicContact CB-CG1 4.28Å; K824-I830 HydrophobicContact CD-CD1 4.38Å; K824-I830 HydrophobicContact CG-CD1 3.95Å; K824-I830 HydrophobicContact CG-CG1 4.29Å
825	E	80.7	Confident	84.6	Confident	70 Å²	70	26 Å²	26	33%	0.327	15%	0.152	S	C	.	.	H	α-helix	trans	-71	-32.2	-179.4	-176.7	154.3	-160.5	0	0	113.4	H250 R445 D821 A823 S827	H250-E825 IonicContact CE1-OE2 2.98Å; H250-E825 PolarHBondContact CE1-OE2 3.4Å; R445-E825 PolarHBondContact NH1-O 2.93Å; D821-E825 WeakPolarHBondContact O-CB 3.35Å; D821-E825 PolarHBondContact O-N 3.04Å; A823-E825 VanDerWaalsContact C-N 3.35Å; A823-E825 PolarHBondContact O-N 2.81Å; E825-S827 VanDerWaalsContact C-N 3.28Å; E825-S827 PolarHBondContact O-N 2.96Å
826	A	82.3	Confident	84.6	Confident	13 Å²	13	26.1 Å²	26.1	11%	0.107	15%	0.152	C	C	.	.	H	α-helix	trans	-74.7	-13.2	171.8	0	0	0	0	0	114.4	L806 K807 V822 A823	L806-A826 CarbonylContact C-O 3.53Å; L806-A826 HydrophobicContact CB-CB 4.03Å; L806-A826 HydrophobicContact CD1-CB 4.45Å; K807-A826 HydrophobicContact CB-CB 4.34Å; K807-A826 PolarHBondContact N-O 3.28Å; V822-A826 VanDerWaalsContact O-CB 3.28Å; V822-A826 WeakPolarHBondContact O-CB 3.46Å; V822-A826 PolarHBondContact O-N 3.49Å; A823-A826 PolarHBondContact O-N 2.88Å
827	S	88.7	Confident	85.1	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.007	15%	0.153	C	C	.	.			trans	-95.7	153.4	-176	76.7	0	0	0	0	114.1	R445 A814 A823 K824 E825	R445-S827 PolarHBondContact NH1-O 2.63Å; A814-S827 WeakPolarHBondContact CB-OG 3.03Å; A823-S827 WeakPolarHBondContact O-CB 3.2Å; A823-S827 PolarHBondContact O-N 2.78Å; A823-S827 VanDerWaalsContact O-N 3.08Å; K824-S827 PolarHBondContact O-N 2.66Å; K824-S827 PolarHBondContact O-OG 3.07Å; E825-S827 VanDerWaalsContact C-N 3.28Å; E825-S827 PolarHBondContact O-N 2.96Å
828	D	89.8	Confident	85.8	Confident	33 Å²	33	20.7 Å²	20.7	18%	0.176	12%	0.122	C	C	.	.	S	Bend	trans	-88.6	-26.3	173.7	-55.1	-73.9	0	0	0	112.8	R445 H446 A449 V811 G812	R445-D828 WeakPolarHBondContact CB-O 3.17Å; R445-D828 PolarHBondContact N-O 3.41Å; H446-D828 HydrophobicContact CB-CB 4.2Å; H446-D828 IonicContact CD2-OD1 2.69Å; H446-D828 PolarHBondContact CD2-OD1 2.99Å; H446-D828 VanDerWaalsContact CD2-OD1 3.26Å; H446-D828 IonicContact CG-OD1 3.56Å; H446-D828 PolarHBondContact N-O 2.96Å; A449-D828 HydrophobicContact CB-CB 3.42Å; A449-D828 VanDerWaalsContact CB-CB 3.42Å; V811-D828 WeakPolarHBondContact CA-OD2 3.43Å; V811-D828 HydrophobicContact CG1-CB 4.5Å; G812-D828 PolarHBondContact N-OD2 3.25Å; G812-D828 PolarHBondContact O-N 3.18Å
829	I	91.8	Very high	86.7	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	130.7	-178	-52.9	-178.7	0	0	0	109.5	M437 N442 L443 V444 A449 V811 G812 F813 A814	M437-I829 HydrophobicContact CE-CD1 4.41Å; N442-I829 HydrophobicContact CB-CG2 4.18Å; L443-I829 WeakPolarHBondContact O-CA 3.15Å; V444-I829 HydrophobicContact CB-CG1 4.49Å; V444-I829 HydrophobicContact CG1-CG1 4.3Å; V444-I829 HydrophobicContact CG2-CD1 4.21Å; V444-I829 HydrophobicContact CG2-CG1 4.15Å; V444-I829 HydrophobicContact CG2-CG2 4.33Å; A449-I829 HydrophobicContact CB-CD1 4.4Å; A449-I829 HydrophobicContact CB-CG1 4.32Å; V811-I829 HydrophobicContact CG1-CD1 4.04Å; V811-I829 HydrophobicContact CG1-CG1 4.35Å; G812-I829 PolarHBondContact O-N 2.97Å; G812-I829 VanDerWaalsContact O-N 3.07Å; F813-I829 VanDerWaalsContact CA-O 3.25Å; F813-I829 WeakPolarHBondContact CA-O 3.14Å; F813-I829 HydrophobicContact CD1-CB 3.87Å; F813-I829 HydrophobicContact CD1-CG2 3.99Å; F813-I829 HydrophobicContact CE1-CB 3.9Å; F813-I829 HydrophobicContact CE1-CD1 3.91Å; F813-I829 HydrophobicContact CE1-CG1 4.44Å; F813-I829 HydrophobicContact CE1-CG2 3.85Å; F813-I829 HydrophobicContact CZ-CD1 3.93Å; A814-I829 PolarHBondContact N-O 3.02Å
830	I	90.8	Very high	87.5	Confident	11 Å²	11	18.5 Å²	18.5	6%	0.056	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	133.6	172	-60.1	171.7	0	0	0	109	L443 R445 A814 G816 K824	L443-I830 HydrophobicContact CB-CB 4.31Å; L443-I830 HydrophobicContact CD2-CD1 4.47Å; L443-I830 PolarHBondContact N-O 3.35Å; L443-I830 PolarHBondContact O-N 2.85Å; R445-I830 HydrophobicContact CG-CD1 4.46Å; A814-I830 HydrophobicContact CB-CG1 4.45Å; G816-I830 VanDerWaalsContact CA-CG2 3.45Å; K824-I830 HydrophobicContact CB-CD1 3.78Å; K824-I830 HydrophobicContact CB-CG1 4.28Å; K824-I830 HydrophobicContact CD-CD1 4.38Å; K824-I830 HydrophobicContact CG-CD1 3.95Å; K824-I830 HydrophobicContact CG-CG1 4.29Å
831	L	91.9	Very high	88.1	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	107	172	-55.3	-175.6	0	0	0	109.2	N441 N442 F813 A814 M815 G816 D833 D834 I839	N441-L831 WeakPolarHBondContact O-CA 3.34Å; N442-L831 VanDerWaalsContact OD1-CD2 3.31Å; N442-L831 WeakPolarHBondContact OD1-CD2 3.42Å; F813-L831 HydrophobicContact CD1-CD2 3.77Å; F813-L831 HydrophobicContact CD1-CG 4.22Å; F813-L831 HydrophobicContact CE1-CD2 4.12Å; A814-L831 PolarHBondContact O-N 3.28Å; M815-L831 HydrophobicContact CE-CD1 3.74Å; M815-L831 HydrophobicContact CE-CG 4.45Å; M815-L831 HydrophobicContact SD-CD1 4.38Å; G816-L831 WeakPolarHBondContact CA-O 3.5Å; G816-L831 PolarHBondContact N-O 2.72Å; L831-D833 PolarHBondContact O-N 3.34Å; L831-D834 PolarHBondContact O-N 2.96Å; L831-I839 HydrophobicContact CD1-CD1 4.05Å; L831-I839 HydrophobicContact CD1-CG1 3.67Å; L831-I839 HydrophobicContact CD2-CG1 4.28Å
832	T	87.2	Confident	88.8	Confident	44 Å²	44	20 Å²	20	27%	0.27	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-8.2	-173.6	61.7	0	0	0	0	113.7	E176 N441 L443	E176-T832 WeakPolarHBondContact OE2-CG2 3.32Å; N441-T832 VanDerWaalsContact CA-OG1 3.3Å; N441-T832 WeakPolarHBondContact CA-OG1 3.35Å; N441-T832 WeakPolarHBondContact CB-OG1 3.28Å; N441-T832 PolarHBondContact O-N 3.25Å; N441-T832 PolarHBondContact O-OG1 2.64Å; L443-T832 HydrophobicContact CB-CG2 3.93Å
833	D	87.6	Confident	89.5	Confident	43 Å²	43	19.1 Å²	19.1	23%	0.23	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	5.3	177.1	65.9	-8.8	0	0	0	114.2	N441 L831 N835 S838	N441-D833 HydrophobicContact CB-CB 3.96Å; N441-D833 WeakPolarHBondContact CB-OD2 3.39Å; N441-D833 VanDerWaalsContact ND2-CG 3.34Å; N441-D833 PolarHBondContact ND2-OD2 3.03Å; L831-D833 PolarHBondContact O-N 3.34Å; D833-N835 HydrophobicContact CB-CB 4.33Å; D833-N835 PolarHBondContact O-N 3.49Å; D833-N835 VanDerWaalsContact OD1-CB 3.26Å; D833-N835 WeakPolarHBondContact OD1-CB 3.31Å; D833-N835 PolarHBondContact OD1-N 2.89Å; D833-N835 VanDerWaalsContact OD1-N 3.11Å; D833-N835 WeakPolarHBondContact OD2-CB 3.49Å; D833-S838 PolarHBondContact OD1-OG 3.23Å; D833-S838 PolarHBondContact OD2-OG 3.36Å; D833-S838 VanDerWaalsContact OD2-OG 3.13Å
834	D	86.9	Confident	89.9	Confident	6 Å²	6	20.7 Å²	20.7	3%	0.032	11%	0.109	C	C	.	.			trans	49	23.6	-171.4	-65.1	3.4	0	0	0	114.4	R687 M815 G816 I817 A818 L831	R687-D834 PolarHBondContact NH1-O 3.4Å; R687-D834 IonicContact NH2-OD2 3.02Å; M815-D834 WeakPolarHBondContact CB-OD1 3.37Å; M815-D834 HydrophobicContact SD-CB 4.06Å; G816-D834 PolarHBondContact N-OD1 2.71Å; I817-D834 PolarHBondContact N-OD1 2.86Å; A818-D834 WeakPolarHBondContact CB-OD2 3.14Å; A818-D834 PolarHBondContact N-OD2 3.1Å; L831-D834 PolarHBondContact O-N 2.96Å
835	N	88.8	Confident	90.3	Very high	41 Å²	41	20 Å²	20	22%	0.219	11%	0.106	C	C	.	.			trans	-94.1	124.2	-171.6	-169.4	-51	0	0	0	111.2	E689 D833 S837 S838	E689-N835 WeakPolarHBondContact CG-OD1 3.49Å; D833-N835 HydrophobicContact CB-CB 4.33Å; D833-N835 PolarHBondContact O-N 3.49Å; D833-N835 VanDerWaalsContact OD1-CB 3.26Å; D833-N835 WeakPolarHBondContact OD1-CB 3.31Å; D833-N835 PolarHBondContact OD1-N 2.89Å; D833-N835 VanDerWaalsContact OD1-N 3.11Å; D833-N835 WeakPolarHBondContact OD2-CB 3.49Å; N835-S837 PolarHBondContact O-N 3.45Å; N835-S837 VanDerWaalsContact O-N 3.15Å; N835-S837 WeakPolarHBondContact OD1-CA 3.35Å; N835-S837 WeakPolarHBondContact OD1-CB 3.45Å; N835-S837 PolarHBondContact OD1-N 3.25Å; N835-S837 PolarHBondContact OD1-OG 3.26Å; N835-S838 WeakPolarHBondContact O-CB 3.35Å; N835-S838 PolarHBondContact O-N 2.94Å; N835-S838 PolarHBondContact O-OG 2.93Å
836	F	89.9	Confident	90.8	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.009	9%	0.09	C	C	.	.	H	α-helix	trans	-64.2	-23.9	-179	-162.7	-86.7	0	0	0	112.8	I459 T466 L467 V690 A693 I694 V704 S838 I839	I459-F836 HydrophobicContact CG2-CZ 4.36Å; T466-F836 HydrophobicContact CG2-CD2 4.09Å; T466-F836 HydrophobicContact CG2-CE2 4.35Å; L467-F836 HydrophobicContact CD2-CD2 3.64Å; L467-F836 HydrophobicContact CD2-CE2 3.53Å; L467-F836 HydrophobicContact CD2-CG 4.34Å; L467-F836 HydrophobicContact CD2-CZ 4.14Å; V690-F836 HydrophobicContact CG2-CB 3.51Å; V690-F836 HydrophobicContact CG2-CG 4.07Å; A693-F836 HydrophobicContact CB-CD1 3.8Å; I694-F836 HydrophobicContact CG1-CD1 4.35Å; I694-F836 HydrophobicContact CG1-CE1 3.78Å; I694-F836 HydrophobicContact CG1-CZ 4.31Å; V704-F836 HydrophobicContact CG1-CZ 4.43Å; F836-S838 PolarHBondContact O-N 3.43Å; F836-I839 HydrophobicContact CB-CD1 4.5Å; F836-I839 HydrophobicContact CD1-CD1 4.3Å; F836-I839 HydrophobicContact CD2-CD1 3.48Å; F836-I839 VanDerWaalsContact CD2-CD1 3.48Å; F836-I839 HydrophobicContact CE1-CD1 4.41Å; F836-I839 HydrophobicContact CE2-CD1 3.61Å; F836-I839 HydrophobicContact CG-CD1 3.85Å; F836-I839 HydrophobicContact CZ-CD1 4.09Å; F836-I839 WeakPolarHBondContact O-CB 3.38Å; F836-I839 PolarHBondContact O-N 3.49Å
837	S	91.7	Very high	91.3	Very high	33 Å²	33	16.1 Å²	16.1	23%	0.231	9%	0.086	C	C	.	.	H	α-helix	trans	-64.6	-27.7	172.8	-43.4	0	0	0	0	112.4	E689 N835 I839 V840 K841	E689-S837 VanDerWaalsContact CG-OG 3.31Å; E689-S837 WeakPolarHBondContact CG-OG 3.39Å; N835-S837 PolarHBondContact O-N 3.45Å; N835-S837 VanDerWaalsContact O-N 3.15Å; N835-S837 WeakPolarHBondContact OD1-CA 3.35Å; N835-S837 WeakPolarHBondContact OD1-CB 3.45Å; N835-S837 PolarHBondContact OD1-N 3.25Å; N835-S837 PolarHBondContact OD1-OG 3.26Å; S837-I839 PolarHBondContact O-N 3.36Å; S837-V840 WeakPolarHBondContact O-CB 3.46Å; S837-V840 PolarHBondContact O-N 2.95Å; S837-K841 PolarHBondContact O-N 2.83Å; S837-K841 VanDerWaalsContact O-N 3.08Å
838	S	93.6	Very high	91.4	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.014	9%	0.086	C	C	.	.	H	α-helix	trans	-62.1	-30.8	175.7	-62.2	0	0	0	0	111.2	N442 D833 N835 F836 K841 A842	N442-S838 WeakPolarHBondContact ND2-CB 3.27Å; N442-S838 PolarHBondContact ND2-O 3.08Å; N442-S838 PolarHBondContact OD1-O 2.9Å; D833-S838 PolarHBondContact OD1-OG 3.23Å; D833-S838 PolarHBondContact OD2-OG 3.36Å; D833-S838 VanDerWaalsContact OD2-OG 3.13Å; N835-S838 WeakPolarHBondContact O-CB 3.35Å; N835-S838 PolarHBondContact O-N 2.94Å; N835-S838 PolarHBondContact O-OG 2.93Å; F836-S838 PolarHBondContact O-N 3.43Å; S838-K841 WeakPolarHBondContact O-CB 3.33Å; S838-K841 PolarHBondContact O-N 2.93Å; S838-A842 PolarHBondContact O-N 3.07Å
839	I	93.9	Very high	91.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-65.8	-39.2	172.3	-54.3	161.2	0	0	0	111.1	M453 I459 T796 F813 L831 F836 S837 K841 A842 V843	M453-I839 HydrophobicContact CE-CG2 3.49Å; M453-I839 VanDerWaalsContact CE-CG2 3.49Å; I459-I839 HydrophobicContact CD1-CG2 4.16Å; T796-I839 HydrophobicContact CG2-CD1 3.56Å; T796-I839 HydrophobicContact CG2-CG1 4.39Å; F813-I839 HydrophobicContact CD1-CG1 4.21Å; F813-I839 HydrophobicContact CE1-CG1 4.25Å; F813-I839 HydrophobicContact CE1-CG2 4.33Å; F813-I839 HydrophobicContact CE2-CG2 4.22Å; F813-I839 HydrophobicContact CZ-CG2 3.99Å; L831-I839 HydrophobicContact CD1-CD1 4.05Å; L831-I839 HydrophobicContact CD1-CG1 3.67Å; L831-I839 HydrophobicContact CD2-CG1 4.28Å; F836-I839 HydrophobicContact CB-CD1 4.5Å; F836-I839 HydrophobicContact CD1-CD1 4.3Å; F836-I839 HydrophobicContact CD2-CD1 3.48Å; F836-I839 VanDerWaalsContact CD2-CD1 3.48Å; F836-I839 HydrophobicContact CE1-CD1 4.41Å; F836-I839 HydrophobicContact CE2-CD1 3.61Å; F836-I839 HydrophobicContact CG-CD1 3.85Å; F836-I839 HydrophobicContact CZ-CD1 4.09Å; F836-I839 WeakPolarHBondContact O-CB 3.38Å; F836-I839 PolarHBondContact O-N 3.49Å; S837-I839 PolarHBondContact O-N 3.36Å; I839-K841 VanDerWaalsContact C-N 3.33Å; I839-K841 PolarHBondContact O-N 3.29Å; I839-A842 WeakPolarHBondContact O-CB 3.34Å; I839-A842 PolarHBondContact O-N 3.29Å; I839-A842 VanDerWaalsContact O-N 3.11Å; I839-V843 PolarHBondContact O-N 3.26Å
840	V	94	Very high	91.2	Very high	4 Å²	4	15.1 Å²	15.1	2%	0.024	8%	0.079	C	C	.	.	H	α-helix	trans	-65.5	-39	176.6	-168.9	0	0	0	0	110.6	A693 Q696 S837 A842 V843 M844 L913	A693-V840 HydrophobicContact CB-CG2 3.79Å; Q696-V840 HydrophobicContact CB-CG1 4.01Å; S837-V840 WeakPolarHBondContact O-CB 3.46Å; S837-V840 PolarHBondContact O-N 2.95Å; V840-A842 VanDerWaalsContact C-N 3.32Å; V840-A842 PolarHBondContact O-N 3Å; V840-V843 PolarHBondContact O-N 3.42Å; V840-M844 PolarHBondContact O-N 3.17Å; V840-L913 HydrophobicContact CG1-CD1 3.69Å; V840-L913 HydrophobicContact CG1-CD2 4.32Å
841	K	93.3	Very high	91.1	Very high	70 Å²	70	14.8 Å²	14.8	30%	0.304	8%	0.078	S	C	.	.	H	α-helix	trans	-61.1	-40.5	170.3	-59.4	-174	-179.1	-175.3	0	111.7	D440 S837 S838 I839 M844 W845	D440-K841 HydrophobicContact CB-CD 3.67Å; D440-K841 WeakPolarHBondContact OD1-CD 3.28Å; D440-K841 WeakPolarHBondContact OD1-CE 3.49Å; D440-K841 IonicContact OD1-NZ 3.73Å; D440-K841 PolarHBondContact OD1-NZ 3Å; S837-K841 PolarHBondContact O-N 2.83Å; S837-K841 VanDerWaalsContact O-N 3.08Å; S838-K841 WeakPolarHBondContact O-CB 3.33Å; S838-K841 PolarHBondContact O-N 2.93Å; I839-K841 VanDerWaalsContact C-N 3.33Å; I839-K841 PolarHBondContact O-N 3.29Å; K841-M844 WeakPolarHBondContact O-CB 3.23Å; K841-M844 PolarHBondContact O-N 2.74Å; K841-W845 PolarHBondContact O-N 3.11Å
842	A	93.8	Very high	91	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.9	-41	177	0	0	0	0	0	112.7	M437 M453 F813 S838 I839 V840 M844 W845 G846	M437-A842 HydrophobicContact CE-CB 3.8Å; M453-A842 HydrophobicContact CG-CB 4.27Å; F813-A842 HydrophobicContact CE1-CB 4.07Å; F813-A842 HydrophobicContact CZ-CB 4.04Å; S838-A842 PolarHBondContact O-N 3.07Å; I839-A842 WeakPolarHBondContact O-CB 3.34Å; I839-A842 PolarHBondContact O-N 3.29Å; I839-A842 VanDerWaalsContact O-N 3.11Å; V840-A842 VanDerWaalsContact C-N 3.32Å; V840-A842 PolarHBondContact O-N 3Å; A842-M844 VanDerWaalsContact C-N 3.35Å; A842-W845 PolarHBondContact O-N 2.9Å; A842-G846 PolarHBondContact O-N 3.48Å
843	V	94.1	Very high	91.1	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.006	7%	0.066	C	C	.	.	H	α-helix	trans	-59.1	-46	170.8	173.1	0	0	0	0	111	M453 I702 I839 V840 G846 R847 L913	M453-V843 HydrophobicContact CE-CG2 3.46Å; M453-V843 VanDerWaalsContact CE-CG2 3.46Å; M453-V843 HydrophobicContact CG-CG2 3.99Å; M453-V843 HydrophobicContact SD-CG2 4.37Å; I702-V843 HydrophobicContact CD1-CB 4.43Å; I702-V843 HydrophobicContact CD1-CG1 3.78Å; I702-V843 HydrophobicContact CD1-CG2 3.76Å; I839-V843 PolarHBondContact O-N 3.26Å; V840-V843 PolarHBondContact O-N 3.42Å; V843-G846 PolarHBondContact O-N 3.49Å; V843-R847 HydrophobicContact CG1-CG 4.46Å; V843-R847 WeakPolarHBondContact O-CB 3.43Å; V843-R847 VanDerWaalsContact O-CG 3.31Å; V843-R847 WeakPolarHBondContact O-CG 3.14Å; V843-R847 PolarHBondContact O-N 2.93Å; V843-L913 HydrophobicContact CG1-CD2 4.04Å
844	M	93	Very high	91.2	Very high	33 Å²	33	11.2 Å²	11.2	16%	0.163	6%	0.057	C	C	.	.	H	α-helix	trans	-63	-44.9	-179.4	-161.5	-167.1	-66.2	0	0	111.8	V840 K841 A842 R847 N848 P908 V910 L912 L913	V840-M844 PolarHBondContact O-N 3.17Å; K841-M844 WeakPolarHBondContact O-CB 3.23Å; K841-M844 PolarHBondContact O-N 2.74Å; A842-M844 VanDerWaalsContact C-N 3.35Å; M844-R847 PolarHBondContact O-N 2.89Å; M844-N848 WeakPolarHBondContact O-CB 3.38Å; M844-N848 PolarHBondContact O-N 2.71Å; M844-P908 HydrophobicContact CG-CB 3.83Å; M844-P908 HydrophobicContact SD-CB 3.89Å; M844-P908 HydrophobicContact SD-CG 4.41Å; M844-V910 HydrophobicContact CE-CG2 4.33Å; M844-L912 HydrophobicContact CG-CB 4.36Å; M844-L912 HydrophobicContact CG-CD1 4.3Å; M844-L913 HydrophobicContact CB-CD2 4.3Å; M844-L913 HydrophobicContact CE-CD1 3.65Å; M844-L913 HydrophobicContact CE-CG 4.14Å
845	W	92.8	Very high	91.3	Very high	13 Å²	13	11.5 Å²	11.5	5%	0.049	6%	0.058	C	C	.	.	H	α-helix	trans	-63.5	-44.3	174.4	-84.8	108.7	0	0	0	112.5	Y432 R436 M437 D440 K841 A842 R847 N848 V849 P908	Y432-W845 HydrophobicContact CD1-CZ3 4.39Å; Y432-W845 HydrophobicContact CE1-CH2 4.23Å; Y432-W845 HydrophobicContact CE1-CZ3 4.25Å; R436-W845 HydrophobicContact CB-CH2 3.39Å; R436-W845 HydrophobicContact CB-CZ2 3.35Å; R436-W845 HydrophobicContact CB-CZ3 4Å; R436-W845 HydrophobicContact CG-CH2 3.71Å; R436-W845 HydrophobicContact CG-CZ2 4.09Å; R436-W845 HydrophobicContact CG-CZ3 4.38Å; M437-W845 HydrophobicContact CE-CB 4.16Å; M437-W845 HydrophobicContact CG-CB 3.65Å; M437-W845 HydrophobicContact CG-CD2 4.12Å; M437-W845 HydrophobicContact CG-CG 3.5Å; M437-W845 VanDerWaalsContact CG-CG 3.5Å; M437-W845 HydrophobicContact SD-CB 3.89Å; M437-W845 HydrophobicContact SD-CG 4.37Å; D440-W845 PolarHBondContact OD2-NE1 3.2Å; K841-W845 PolarHBondContact O-N 3.11Å; A842-W845 PolarHBondContact O-N 2.9Å; W845-R847 PolarHBondContact O-N 2.97Å; W845-N848 WeakPolarHBondContact O-CB 3.43Å; W845-N848 PolarHBondContact O-N 2.89Å; W845-N848 VanDerWaalsContact O-N 3.13Å; W845-V849 PolarHBondContact O-N 2.88Å; W845-P908 HydrophobicContact CD2-CG 4.03Å; W845-P908 HydrophobicContact CE3-CG 4.25Å; W845-P908 HydrophobicContact CH2-CG 4.02Å; W845-P908 HydrophobicContact CZ2-CG 3.78Å; W845-P908 HydrophobicContact CZ3-CG 4.26Å
846	G	91.7	Very high	91.4	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.4	-38.3	177.1	0	0	0	0	0	113.6	C450 G454 A842 V843 N848 V849 Y850	C450-G846 WeakPolarHBondContact O-CA 3.37Å; G454-G846 VanDerWaalsContact CA-C 3.44Å; A842-G846 PolarHBondContact O-N 3.48Å; V843-G846 PolarHBondContact O-N 3.49Å; G846-N848 VanDerWaalsContact C-N 3.34Å; G846-V849 PolarHBondContact O-N 3.29Å; G846-Y850 PolarHBondContact O-N 3.39Å
847	R	91.5	Very high	91.4	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.008	5%	0.049	C	C	.	.	H	α-helix	trans	-65.8	-36.9	172.5	-72.9	178.3	-178.3	-160.6	-0.8	111.8	G454 A700 V843 M844 W845 D851 L912 R915	G454-R847 VanDerWaalsContact O-CG 3.28Å; G454-R847 WeakPolarHBondContact O-CG 3.23Å; A700-R847 PolarHBondContact O-NH2 3.33Å; V843-R847 HydrophobicContact CG1-CG 4.46Å; V843-R847 WeakPolarHBondContact O-CB 3.43Å; V843-R847 VanDerWaalsContact O-CG 3.31Å; V843-R847 WeakPolarHBondContact O-CG 3.14Å; V843-R847 PolarHBondContact O-N 2.93Å; M844-R847 PolarHBondContact O-N 2.89Å; W845-R847 PolarHBondContact O-N 2.97Å; R847-D851 WeakPolarHBondContact O-CB 3.19Å; R847-D851 PolarHBondContact O-N 3.3Å; R847-D851 VanDerWaalsContact O-N 3.07Å; R847-L912 HydrophobicContact CB-CB 4.26Å; R847-L912 HydrophobicContact CB-CD1 4.48Å; R847-L912 WeakPolarHBondContact CD-O 3.3Å; R847-L912 PolarHBondContact NH1-O 3.43Å; R847-R915 PolarHBondContact NH1-O 2.89Å
848	N	91.3	Very high	91.5	Very high	3 Å²	3	8.1 Å²	8.1	2%	0.016	4%	0.038	C	C	.	.	H	α-helix	trans	-67.3	-41.1	175.9	-173.1	64.3	0	0	0	112.7	M844 W845 G846 Y850 D851 S852 E906 P908 L912	M844-N848 WeakPolarHBondContact O-CB 3.38Å; M844-N848 PolarHBondContact O-N 2.71Å; W845-N848 WeakPolarHBondContact O-CB 3.43Å; W845-N848 PolarHBondContact O-N 2.89Å; W845-N848 VanDerWaalsContact O-N 3.13Å; G846-N848 VanDerWaalsContact C-N 3.34Å; N848-Y850 PolarHBondContact O-N 3.27Å; N848-D851 PolarHBondContact O-N 3.4Å; N848-S852 WeakPolarHBondContact O-CB 3.32Å; N848-S852 PolarHBondContact O-N 3.26Å; N848-S852 PolarHBondContact O-OG 2.96Å; N848-S852 VanDerWaalsContact O-OG 3.13Å; N848-E906 PolarHBondContact ND2-O 2.87Å; N848-P908 HydrophobicContact CB-CB 3.93Å; N848-L912 HydrophobicContact CB-CD1 3.78Å
849	V	89.5	Confident	91.5	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-57.2	-49.3	174.5	168	0	0	0	0	111.1	L430 S433 W845 G846 D851 S852 I853	L430-V849 HydrophobicContact CD2-CG1 3.88Å; L430-V849 HydrophobicContact CD2-CG2 4.4Å; L430-V849 HydrophobicContact CG-CG1 4.24Å; S433-V849 VanDerWaalsContact OG-CG2 3.24Å; S433-V849 WeakPolarHBondContact OG-CG2 3.1Å; W845-V849 PolarHBondContact O-N 2.88Å; G846-V849 PolarHBondContact O-N 3.29Å; V849-D851 PolarHBondContact O-N 3.43Å; V849-S852 PolarHBondContact O-N 3.34Å; V849-I853 HydrophobicContact CG1-CD1 3.67Å; V849-I853 WeakPolarHBondContact O-CB 3.46Å; V849-I853 WeakPolarHBondContact O-CD1 3.38Å; V849-I853 VanDerWaalsContact O-CG1 3.27Å; V849-I853 WeakPolarHBondContact O-CG1 3.41Å; V849-I853 PolarHBondContact O-N 3.43Å
850	Y	88.1	Confident	91.4	Very high	9 Å²	9	8.3 Å²	8.3	4%	0.035	4%	0.038	C	C	.	.	H	α-helix	trans	-61.2	-44.3	178	-173.4	-80.1	0	0	0	112.2	L352 G846 N848 T854 Y918 L924	L352-Y850 HydrophobicContact CD1-CD2 4.25Å; L352-Y850 HydrophobicContact CD1-CE2 4.04Å; L352-Y850 HydrophobicContact CD2-CD2 4.11Å; G846-Y850 PolarHBondContact O-N 3.39Å; N848-Y850 PolarHBondContact O-N 3.27Å; Y850-T854 HydrophobicContact CD1-CG2 4.2Å; Y850-T854 HydrophobicContact CE1-CG2 3.82Å; Y850-T854 PolarHBondContact O-N 3.08Å; Y850-T854 PolarHBondContact O-OG1 3.29Å; Y850-Y918 AromaticContact CD1-CD2 3.54Å; Y850-Y918 HydrophobicContact CD1-CD2 3.54Å; Y850-Y918 AromaticContact CD1-CE2 3.18Å; Y850-Y918 HydrophobicContact CD1-CE2 3.18Å; Y850-Y918 HydrophobicContact CD1-CG 4.48Å; Y850-Y918 AromaticContact CD1-CZ 3.9Å; Y850-Y918 HydrophobicContact CE1-CD1 4.38Å; Y850-Y918 AromaticContact CE1-CD2 3.49Å; Y850-Y918 HydrophobicContact CE1-CD2 3.49Å; Y850-Y918 VanDerWaalsContact CE1-CD2 3.49Å; Y850-Y918 HydrophobicContact CE1-CE1 4.3Å; Y850-Y918 AromaticContact CE1-CE2 3.38Å; Y850-Y918 HydrophobicContact CE1-CE2 3.38Å; Y850-Y918 AromaticContact CE1-CG 4Å; Y850-Y918 HydrophobicContact CE1-CG 4Å; Y850-Y918 AromaticContact CE1-CZ 3.79Å; Y850-Y918 HydrophobicContact CE2-CD2 4.46Å; Y850-Y918 HydrophobicContact CG-CD2 4.07Å; Y850-Y918 HydrophobicContact CG-CE2 4Å; Y850-Y918 AromaticContact CZ-CD2 3.97Å; Y850-L924 HydrophobicContact CE1-CD1 4.36Å; Y850-L924 HydrophobicContact CE2-CD1 4.05Å; Y850-L924 WeakPolarHBondContact OH-CD1 3.3Å
851	D	89.1	Confident	91.2	Very high	4 Å²	4	9.3 Å²	9.3	2%	0.021	4%	0.043	C	C	.	.	H	α-helix	trans	-67.4	-43.1	-179.7	-78.2	8.4	0	0	0	111.8	R847 N848 V849 I853 T854 K855 L912 R915 Y918 I993 H994	R847-D851 WeakPolarHBondContact O-CB 3.19Å; R847-D851 PolarHBondContact O-N 3.3Å; R847-D851 VanDerWaalsContact O-N 3.07Å; N848-D851 PolarHBondContact O-N 3.4Å; V849-D851 PolarHBondContact O-N 3.43Å; D851-I853 PolarHBondContact O-N 3.18Å; D851-T854 WeakPolarHBondContact CA-OG1 3.36Å; D851-T854 CarbonylContact O-C 3.53Å; D851-T854 PolarHBondContact O-N 3.11Å; D851-T854 VanDerWaalsContact O-N 3.14Å; D851-T854 PolarHBondContact O-OG1 3.47Å; D851-K855 VanDerWaalsContact O-CG 3.28Å; D851-K855 WeakPolarHBondContact O-CG 3.29Å; D851-K855 PolarHBondContact O-N 3.5Å; D851-L912 WeakPolarHBondContact OD2-CD2 3.21Å; D851-R915 IonicContact OD1-CZ 3.42Å; D851-R915 IonicContact OD1-NH1 2.92Å; D851-R915 IonicContact OD1-NH2 2.69Å; D851-R915 PolarHBondContact OD1-NH2 3.42Å; D851-R915 IonicContact OD2-CZ 2.63Å; D851-R915 VanDerWaalsContact OD2-CZ 3.23Å; D851-R915 IonicContact OD2-NH1 3.23Å; D851-R915 PolarHBondContact OD2-NH1 3.47Å; D851-R915 IonicContact OD2-NH2 3.97Å; D851-R915 PolarHBondContact OD2-NH2 3.14Å; D851-Y918 WeakPolarHBondContact OD1-CE2 3.37Å; D851-Y918 PolarHBondContact OD1-OH 3.33Å; D851-I993 HydrophobicContact CB-CD1 3.93Å; D851-H994 IonicContact OD1-CE1 2.75Å; D851-H994 IonicContact OD2-CE1 2.99Å; D851-H994 PolarHBondContact OD2-CE1 3.35Å
852	S	89.6	Confident	91.2	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-65.7	-37.7	178.1	-65.2	0	0	0	0	112.4	N848 V849 T854 K855 F856	N848-S852 WeakPolarHBondContact O-CB 3.32Å; N848-S852 PolarHBondContact O-N 3.26Å; N848-S852 PolarHBondContact O-OG 2.96Å; N848-S852 VanDerWaalsContact O-OG 3.13Å; V849-S852 PolarHBondContact O-N 3.34Å; S852-T854 VanDerWaalsContact C-N 3.35Å; S852-K855 PolarHBondContact O-N 3.28Å; S852-K855 PolarHBondContact OG-NZ 3.03Å; S852-F856 PolarHBondContact O-N 3.15Å; S852-F856 VanDerWaalsContact O-N 3.14Å
853	I	88.1	Confident	91.1	Very high	5 Å²	5	6 Å²	6	3%	0.026	3%	0.029	C	C	.	.	H	α-helix	trans	-65.1	-37.2	171.4	-67.7	162.7	0	0	0	111.3	L352 L356 V426 V849 D851 L857	L352-I853 HydrophobicContact CD2-CB 4.24Å; L352-I853 HydrophobicContact CD2-CD1 3.52Å; L352-I853 HydrophobicContact CD2-CG1 4.48Å; L352-I853 HydrophobicContact CD2-CG2 4.04Å; L356-I853 HydrophobicContact CD1-CG2 4.07Å; L356-I853 HydrophobicContact CD2-CG2 4.46Å; V426-I853 HydrophobicContact CB-CD1 4.28Å; V426-I853 HydrophobicContact CG1-CD1 4.26Å; V426-I853 HydrophobicContact CG2-CD1 4.08Å; V426-I853 HydrophobicContact CG2-CG1 4.45Å; V426-I853 HydrophobicContact CG2-CG2 4.35Å; V849-I853 HydrophobicContact CG1-CD1 3.67Å; V849-I853 WeakPolarHBondContact O-CB 3.46Å; V849-I853 WeakPolarHBondContact O-CD1 3.38Å; V849-I853 VanDerWaalsContact O-CG1 3.27Å; V849-I853 WeakPolarHBondContact O-CG1 3.41Å; V849-I853 PolarHBondContact O-N 3.43Å; D851-I853 PolarHBondContact O-N 3.18Å; I853-L857 VanDerWaalsContact O-CB 3.29Å; I853-L857 WeakPolarHBondContact O-CB 3.37Å; I853-L857 PolarHBondContact O-N 2.98Å
854	T	89.6	Confident	90.9	Very high	7 Å²	7	6.2 Å²	6.2	4%	0.043	3%	0.03	C	C	.	.	H	α-helix	trans	-75.6	-28.6	176.1	48.2	0	0	0	0	113.9	Y850 D851 S852 L857 Q858 L924 M929 I993	Y850-T854 HydrophobicContact CD1-CG2 4.2Å; Y850-T854 HydrophobicContact CE1-CG2 3.82Å; Y850-T854 PolarHBondContact O-N 3.08Å; Y850-T854 PolarHBondContact O-OG1 3.29Å; D851-T854 WeakPolarHBondContact CA-OG1 3.36Å; D851-T854 CarbonylContact O-C 3.53Å; D851-T854 PolarHBondContact O-N 3.11Å; D851-T854 VanDerWaalsContact O-N 3.14Å; D851-T854 PolarHBondContact O-OG1 3.47Å; S852-T854 VanDerWaalsContact C-N 3.35Å; T854-L857 PolarHBondContact O-N 3.21Å; T854-Q858 PolarHBondContact O-N 2.84Å; T854-L924 HydrophobicContact CG2-CD1 3.42Å; T854-L924 VanDerWaalsContact CG2-CD1 3.42Å; T854-L924 HydrophobicContact CG2-CG 4.21Å; T854-M929 WeakPolarHBondContact O-CE 3.49Å; T854-I993 WeakPolarHBondContact OG1-CD1 3.4Å
855	K	90.9	Very high	90.8	Very high	13 Å²	13	7 Å²	7	6%	0.057	4%	0.039	C	C	.	.	H	α-helix	trans	-61.7	-52.4	169.5	-67.2	163.2	-151.5	159.3	0	110.9	D851 S852 L857 Q858 F859 E906 A990 R991 I993	D851-K855 VanDerWaalsContact O-CG 3.28Å; D851-K855 WeakPolarHBondContact O-CG 3.29Å; D851-K855 PolarHBondContact O-N 3.5Å; S852-K855 PolarHBondContact O-N 3.28Å; S852-K855 PolarHBondContact OG-NZ 3.03Å; K855-L857 VanDerWaalsContact C-N 3.32Å; K855-L857 PolarHBondContact O-N 3.37Å; K855-Q858 WeakPolarHBondContact O-CB 3.07Å; K855-Q858 PolarHBondContact O-N 3.02Å; K855-Q858 VanDerWaalsContact O-N 3.13Å; K855-F859 PolarHBondContact O-N 2.85Å; K855-F859 VanDerWaalsContact O-N 3.08Å; K855-E906 WeakPolarHBondContact CE-OE2 3.48Å; K855-E906 IonicContact NZ-OE2 3.38Å; K855-E906 PolarHBondContact NZ-OE2 3.21Å; K855-A990 WeakPolarHBondContact CB-O 3.41Å; K855-A990 WeakPolarHBondContact CG-O 3.47Å; K855-R991 WeakPolarHBondContact CD-O 3.49Å; K855-I993 HydrophobicContact CG-CD1 4.34Å; K855-I993 HydrophobicContact CG-CG1 4.27Å; K855-I993 HydrophobicContact CG-CG2 3.93Å
856	F	90.9	Very high	90.8	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.009	4%	0.036	C	C	.	.	H	α-helix	trans	-57	-44.9	174.1	171.8	-105.7	0	0	0	111.9	L422 A425 S852 Q858 F859 Q860 D896 S900 L903	L422-F856 HydrophobicContact CB-CE1 4.3Å; A425-F856 HydrophobicContact CB-CD1 3.55Å; A425-F856 HydrophobicContact CB-CE1 3.79Å; A425-F856 HydrophobicContact CB-CG 4.1Å; S852-F856 PolarHBondContact O-N 3.15Å; S852-F856 VanDerWaalsContact O-N 3.14Å; F856-Q858 VanDerWaalsContact C-N 3.32Å; F856-Q858 PolarHBondContact O-N 3.34Å; F856-F859 WeakPolarHBondContact O-CB 3.46Å; F856-F859 PolarHBondContact O-N 2.99Å; F856-Q860 HydrophobicContact CE1-CB 4.35Å; F856-Q860 HydrophobicContact CE2-CB 4.23Å; F856-Q860 HydrophobicContact CZ-CB 4.01Å; F856-Q860 HydrophobicContact CZ-CG 4.07Å; F856-Q860 WeakPolarHBondContact O-CB 3.37Å; F856-Q860 PolarHBondContact O-N 2.82Å; F856-D896 WeakPolarHBondContact CZ-OD1 3.34Å; F856-S900 VanDerWaalsContact CD2-CA 3.47Å; F856-L903 HydrophobicContact CB-CB 4.19Å; F856-L903 HydrophobicContact CB-CD1 4.39Å; F856-L903 HydrophobicContact CD2-CD1 4.5Å
857	L	89.8	Confident	90.7	Very high	3 Å²	3	6.5 Å²	6.5	2%	0.016	4%	0.037	C	C	.	.	H	α-helix	trans	-66.1	-30.7	178	-164	92.7	0	0	0	112.8	L356 L359 L422 I853 T854 K855 L861 L924 I925 M929	L356-L857 HydrophobicContact CD2-CD1 4.02Å; L359-L857 HydrophobicContact CD2-CD1 3.85Å; L359-L857 HydrophobicContact CD2-CD2 3.7Å; L359-L857 HydrophobicContact CD2-CG 4.27Å; L422-L857 HydrophobicContact CD1-CD1 3.57Å; L422-L857 HydrophobicContact CG-CD1 4.39Å; I853-L857 VanDerWaalsContact O-CB 3.29Å; I853-L857 WeakPolarHBondContact O-CB 3.37Å; I853-L857 PolarHBondContact O-N 2.98Å; T854-L857 PolarHBondContact O-N 3.21Å; K855-L857 VanDerWaalsContact C-N 3.32Å; K855-L857 PolarHBondContact O-N 3.37Å; L857-L861 HydrophobicContact CD2-CD1 3.99Å; L857-L861 HydrophobicContact CG-CD1 3.83Å; L857-L861 HydrophobicContact CG-CG 4.24Å; L857-L861 WeakPolarHBondContact O-CB 3.28Å; L857-L861 WeakPolarHBondContact O-CD1 3.42Å; L857-L861 WeakPolarHBondContact O-CG 3.25Å; L857-L861 PolarHBondContact O-N 3.21Å; L857-L861 VanDerWaalsContact O-N 3.13Å; L857-L924 HydrophobicContact CD2-CD2 3.69Å; L857-L924 HydrophobicContact CD2-CG 3.95Å; L857-I925 HydrophobicContact CD2-CG1 4.2Å; L857-M929 HydrophobicContact CB-CE 3.79Å; L857-M929 HydrophobicContact CD2-CE 3.65Å; L857-M929 HydrophobicContact CG-CE 4.07Å
858	Q	92.9	Very high	90.5	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-66	-46.9	173.7	-167.3	-174.4	-82	0	0	110.1	T854 K855 F856 T862 M929 N932 I933	T854-Q858 PolarHBondContact O-N 2.84Å; K855-Q858 WeakPolarHBondContact O-CB 3.07Å; K855-Q858 PolarHBondContact O-N 3.02Å; K855-Q858 VanDerWaalsContact O-N 3.13Å; F856-Q858 VanDerWaalsContact C-N 3.32Å; F856-Q858 PolarHBondContact O-N 3.34Å; Q858-T862 PolarHBondContact O-N 3.45Å; Q858-T862 PolarHBondContact O-OG1 2.85Å; Q858-M929 HydrophobicContact CB-CE 3.88Å; Q858-M929 HydrophobicContact CB-CG 4.24Å; Q858-M929 HydrophobicContact CG-CG 4.11Å; Q858-M929 VanDerWaalsContact N-CE 3.28Å; Q858-N932 VanDerWaalsContact CD-CB 3.48Å; Q858-N932 HydrophobicContact CG-CB 4.19Å; Q858-N932 PolarHBondContact OE1-ND2 3.36Å; Q858-I933 HydrophobicContact CG-CG1 3.9Å
859	F	93.5	Very high	90.4	Very high	1 Å²	1	10.3 Å²	10.3	0%	0.004	6%	0.056	C	C	.	.	H	α-helix	trans	-59	-62	177.5	178.9	-108.2	0	0	0	111.3	K855 F856 L861 T862 V863 M895 A899 L903 T983 E987 A990	K855-F859 PolarHBondContact O-N 2.85Å; K855-F859 VanDerWaalsContact O-N 3.08Å; F856-F859 WeakPolarHBondContact O-CB 3.46Å; F856-F859 PolarHBondContact O-N 2.99Å; F859-L861 PolarHBondContact O-N 3.21Å; F859-T862 WeakPolarHBondContact O-CB 3.35Å; F859-T862 PolarHBondContact O-N 3.49Å; F859-V863 HydrophobicContact CE1-CG2 4.46Å; F859-V863 HydrophobicContact CE2-CG2 4.22Å; F859-V863 HydrophobicContact CZ-CG2 4.18Å; F859-V863 PolarHBondContact O-N 3.29Å; F859-V863 VanDerWaalsContact O-N 3.17Å; F859-M895 HydrophobicContact CE1-CB 4.02Å; F859-M895 WeakPolarHBondContact CE1-O 3.42Å; F859-A899 HydrophobicContact CD1-CB 3.66Å; F859-A899 HydrophobicContact CE1-CB 3.23Å; F859-A899 HydrophobicContact CZ-CB 4.02Å; F859-L903 HydrophobicContact CB-CD1 3.9Å; F859-L903 HydrophobicContact CD1-CD1 4.28Å; F859-L903 HydrophobicContact CG-CD1 4.13Å; F859-T983 WeakPolarHBondContact CE2-O 3.49Å; F859-E987 HydrophobicContact CD2-CB 4.19Å; F859-E987 HydrophobicContact CD2-CG 4.18Å; F859-E987 HydrophobicContact CE2-CB 3.79Å; F859-E987 HydrophobicContact CE2-CG 3.97Å; F859-E987 HydrophobicContact CZ-CB 4.36Å; F859-E987 HydrophobicContact CZ-CG 4.21Å; F859-A990 HydrophobicContact CB-CB 3.64Å; F859-A990 HydrophobicContact CD2-CB 4.22Å; F859-A990 HydrophobicContact CG-CB 4.37Å
860	Q	91.5	Very high	90.4	Very high	4 Å²	4	10.4 Å²	10.4	2%	0.019	6%	0.057	C	C	.	.	H	α-helix	trans	-55.8	-48.1	-176.3	-170.8	64	-3.9	0	0	111.6	P419 F856 T862 V863 N864 M895 D896	P419-Q860 HydrophobicContact CB-CG 4.03Å; F856-Q860 HydrophobicContact CE1-CB 4.35Å; F856-Q860 HydrophobicContact CE2-CB 4.23Å; F856-Q860 HydrophobicContact CZ-CB 4.01Å; F856-Q860 HydrophobicContact CZ-CG 4.07Å; F856-Q860 WeakPolarHBondContact O-CB 3.37Å; F856-Q860 PolarHBondContact O-N 2.82Å; Q860-T862 PolarHBondContact O-N 2.8Å; Q860-V863 PolarHBondContact O-N 3.48Å; Q860-V863 VanDerWaalsContact O-N 3.13Å; Q860-N864 VanDerWaalsContact CD-OD1 3.3Å; Q860-N864 WeakPolarHBondContact CG-OD1 3.49Å; Q860-N864 PolarHBondContact NE2-OD1 3.17Å; Q860-N864 WeakPolarHBondContact O-CB 3.31Å; Q860-N864 PolarHBondContact O-N 3.49Å; Q860-N864 PolarHBondContact O-OD1 2.89Å; Q860-M895 VanDerWaalsContact OE1-CG 3.31Å; Q860-M895 PolarHBondContact OE1-O 2.92Å; Q860-M895 VanDerWaalsContact OE1-O 3.06Å; Q860-D896 VanDerWaalsContact NE2-CB 3.32Å; Q860-D896 PolarHBondContact NE2-OD1 3.19Å
861	L	90.4	Very high	90.2	Very high	26 Å²	26	10 Å²	10	14%	0.136	6%	0.055	C	C	.	.	H	α-helix	trans	-61.5	-30	178.1	-72.7	174.8	0	0	0	113.9	I363 L857 F859 C865 I925 I933	I363-L861 HydrophobicContact CD1-CD2 3.66Å; I363-L861 HydrophobicContact CG1-CD2 4.3Å; L857-L861 HydrophobicContact CD2-CD1 3.99Å; L857-L861 HydrophobicContact CG-CD1 3.83Å; L857-L861 HydrophobicContact CG-CG 4.24Å; L857-L861 WeakPolarHBondContact O-CB 3.28Å; L857-L861 WeakPolarHBondContact O-CD1 3.42Å; L857-L861 WeakPolarHBondContact O-CG 3.25Å; L857-L861 PolarHBondContact O-N 3.21Å; L857-L861 VanDerWaalsContact O-N 3.13Å; F859-L861 PolarHBondContact O-N 3.21Å; L861-C865 WeakPolarHBondContact O-CB 3.23Å; L861-C865 PolarHBondContact O-N 2.9Å; L861-C865 VanDerWaalsContact O-N 3.13Å; L861-I925 HydrophobicContact CD1-CD1 3.66Å; L861-I925 HydrophobicContact CD1-CG1 4.22Å; L861-I933 HydrophobicContact CB-CD1 3.85Å; L861-I933 HydrophobicContact CB-CG1 4.3Å; L861-I933 HydrophobicContact CB-CG2 4.4Å; L861-I933 HydrophobicContact CD1-CD1 3.86Å
862	T	93.2	Very high	90	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-68.3	-47.9	174.9	-50.8	0	0	0	0	110.3	Q858 F859 Q860 C865 V866 H936 S937 N986	Q858-T862 PolarHBondContact O-N 3.45Å; Q858-T862 PolarHBondContact O-OG1 2.85Å; F859-T862 WeakPolarHBondContact O-CB 3.35Å; F859-T862 PolarHBondContact O-N 3.49Å; Q860-T862 PolarHBondContact O-N 2.8Å; T862-C865 PolarHBondContact O-N 2.94Å; T862-V866 WeakPolarHBondContact O-CG2 3.5Å; T862-V866 PolarHBondContact O-N 3.26Å; T862-H936 HydrophobicContact CG2-CB 3.64Å; T862-S937 WeakPolarHBondContact CG2-OG 3.22Å; T862-S937 PolarHBondContact O-OG 2.95Å; T862-N986 WeakPolarHBondContact CG2-ND2 3.5Å
863	V	91.8	Very high	89.9	Confident	1 Å²	1	13.9 Å²	13.9	1%	0.006	7%	0.074	C	C	.	.	H	α-helix	trans	-68.9	-45.8	-178.4	-167.1	0	0	0	0	111.7	F859 Q860 C865 V866 A867 V891 M895 T983	F859-V863 HydrophobicContact CE1-CG2 4.46Å; F859-V863 HydrophobicContact CE2-CG2 4.22Å; F859-V863 HydrophobicContact CZ-CG2 4.18Å; F859-V863 PolarHBondContact O-N 3.29Å; F859-V863 VanDerWaalsContact O-N 3.17Å; Q860-V863 PolarHBondContact O-N 3.48Å; Q860-V863 VanDerWaalsContact O-N 3.13Å; V863-C865 VanDerWaalsContact C-N 3.26Å; V863-C865 PolarHBondContact O-N 3.45Å; V863-V866 PolarHBondContact O-N 3.4Å; V863-A867 WeakPolarHBondContact O-CB 3.22Å; V863-A867 PolarHBondContact O-N 3.12Å; V863-V891 HydrophobicContact CG1-CG1 4.17Å; V863-M895 HydrophobicContact CB-CB 4.34Å; V863-M895 HydrophobicContact CB-CE 3.94Å; V863-M895 HydrophobicContact CB-SD 4.01Å; V863-M895 HydrophobicContact CG1-CB 4.21Å; V863-M895 HydrophobicContact CG1-CE 3.9Å; V863-M895 HydrophobicContact CG1-CG 4.44Å; V863-M895 HydrophobicContact CG1-SD 3.42Å; V863-M895 WeakPolarHBondContact CG1-SD 3.24Å; V863-M895 HydrophobicContact CG2-CB 4.38Å; V863-T983 HydrophobicContact CB-CG2 4.37Å; V863-T983 HydrophobicContact CG1-CG2 3.81Å; V863-T983 HydrophobicContact CG2-CG2 3.71Å
864	N	89.2	Confident	89.5	Confident	5 Å²	5	13.7 Å²	13.7	3%	0.027	7%	0.074	C	C	.	.	H	α-helix	trans	-53.8	-44.7	172.4	-73.2	63	0	0	0	110.9	V416 A417 Q860 I868 M895	V416-N864 PolarHBondContact O-ND2 2.82Å; A417-N864 PolarHBondContact O-ND2 2.92Å; Q860-N864 VanDerWaalsContact CD-OD1 3.3Å; Q860-N864 WeakPolarHBondContact CG-OD1 3.49Å; Q860-N864 PolarHBondContact NE2-OD1 3.17Å; Q860-N864 WeakPolarHBondContact O-CB 3.31Å; Q860-N864 PolarHBondContact O-N 3.49Å; Q860-N864 PolarHBondContact O-OD1 2.89Å; N864-I868 WeakPolarHBondContact O-CB 3.45Å; N864-I868 VanDerWaalsContact O-CD1 3.28Å; N864-I868 WeakPolarHBondContact O-CD1 3.29Å; N864-I868 WeakPolarHBondContact O-CG1 3.32Å; N864-I868 PolarHBondContact O-N 3.24Å; N864-I868 VanDerWaalsContact O-N 3.08Å; N864-M895 HydrophobicContact CB-CE 4.47Å; N864-M895 WeakPolarHBondContact OD1-CE 3.35Å
865	C	91.2	Very high	89	Confident	50 Å²	50	13.4 Å²	13.4	34%	0.338	7%	0.072	S	C	.	.	H	α-helix	trans	-65.7	-42.1	-178.3	-168.7	0	0	0	0	112.4	L861 T862 V863 I869	L861-C865 WeakPolarHBondContact O-CB 3.23Å; L861-C865 PolarHBondContact O-N 2.9Å; L861-C865 VanDerWaalsContact O-N 3.13Å; T862-C865 PolarHBondContact O-N 2.94Å; V863-C865 VanDerWaalsContact C-N 3.26Å; V863-C865 PolarHBondContact O-N 3.45Å; C865-I869 WeakPolarHBondContact O-CB 3.42Å; C865-I869 WeakPolarHBondContact O-CD1 3.47Å; C865-I869 VanDerWaalsContact O-CG1 3.24Å; C865-I869 WeakPolarHBondContact O-CG1 3.5Å; C865-I869 PolarHBondContact O-N 2.87Å
866	V	92.6	Very high	88.6	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-67.5	-53	177.2	174.6	0	0	0	0	110.4	T862 V863 I868 I869 V870 Q940 L941 L979	T862-V866 WeakPolarHBondContact O-CG2 3.5Å; T862-V866 PolarHBondContact O-N 3.26Å; V863-V866 PolarHBondContact O-N 3.4Å; V866-I868 PolarHBondContact O-N 3.43Å; V866-I869 PolarHBondContact O-N 2.89Å; V866-I869 VanDerWaalsContact O-N 3.1Å; V866-V870 HydrophobicContact CG1-CG2 3.94Å; V866-V870 WeakPolarHBondContact O-CB 3.29Å; V866-V870 VanDerWaalsContact O-CG2 3.31Å; V866-V870 WeakPolarHBondContact O-CG2 3.4Å; V866-V870 PolarHBondContact O-N 2.92Å; V866-Q940 HydrophobicContact CG1-CB 4Å; V866-Q940 HydrophobicContact CG2-CB 3.81Å; V866-L941 HydrophobicContact CG1-CD2 4.3Å; V866-L941 HydrophobicContact CG2-CG 4.44Å; V866-L979 HydrophobicContact CG1-CD1 3.99Å
867	A	89	Confident	88.2	Confident	1 Å²	1	21 Å²	21	1%	0.008	11%	0.11	C	C	.	.	H	α-helix	trans	-61.5	-39.4	-175.2	0	0	0	0	0	113.1	V416 V863 A871 M888	V416-A867 HydrophobicContact CG1-CB 3.64Å; V863-A867 WeakPolarHBondContact O-CB 3.22Å; V863-A867 PolarHBondContact O-N 3.12Å; A867-A871 WeakPolarHBondContact O-CB 3.34Å; A867-A871 PolarHBondContact O-N 3.1Å; A867-M888 HydrophobicContact CB-CE 4.4Å
868	I	87.9	Confident	87.2	Confident	21 Å²	21	22.5 Å²	22.5	11%	0.108	12%	0.118	C	C	.	.	H	α-helix	trans	-63.7	-43.7	174.7	-67.2	166.9	0	0	0	111	V370 A417 N864 V866 F872	V370-I868 HydrophobicContact CB-CG2 3.99Å; V370-I868 HydrophobicContact CG1-CG2 3.68Å; V370-I868 HydrophobicContact CG2-CG2 4.04Å; A417-I868 HydrophobicContact CB-CD1 3.57Å; A417-I868 HydrophobicContact CB-CG1 3.95Å; N864-I868 WeakPolarHBondContact O-CB 3.45Å; N864-I868 VanDerWaalsContact O-CD1 3.28Å; N864-I868 WeakPolarHBondContact O-CD1 3.29Å; N864-I868 WeakPolarHBondContact O-CG1 3.32Å; N864-I868 PolarHBondContact O-N 3.24Å; N864-I868 VanDerWaalsContact O-N 3.08Å; V866-I868 PolarHBondContact O-N 3.43Å; I868-F872 VanDerWaalsContact O-CB 3.28Å; I868-F872 WeakPolarHBondContact O-CB 3.43Å; I868-F872 PolarHBondContact O-N 2.91Å
869	I	90.5	Very high	86.2	Confident	65 Å²	65	26.6 Å²	26.6	33%	0.333	14%	0.14	S	C	.	.	H	α-helix	trans	-72.2	-40.3	-178.3	-67.5	169.6	0	0	0	111	C865 V866 F872 A873 L941 F945	C865-I869 WeakPolarHBondContact O-CB 3.42Å; C865-I869 WeakPolarHBondContact O-CD1 3.47Å; C865-I869 VanDerWaalsContact O-CG1 3.24Å; C865-I869 WeakPolarHBondContact O-CG1 3.5Å; C865-I869 PolarHBondContact O-N 2.87Å; V866-I869 PolarHBondContact O-N 2.89Å; V866-I869 VanDerWaalsContact O-N 3.1Å; I869-F872 PolarHBondContact O-N 3.1Å; I869-A873 WeakPolarHBondContact O-CB 3.16Å; I869-A873 PolarHBondContact O-N 3.32Å; I869-L941 HydrophobicContact CB-CD1 4.28Å; I869-L941 HydrophobicContact CB-CD2 3.93Å; I869-L941 HydrophobicContact CD1-CD1 3.92Å; I869-L941 HydrophobicContact CG2-CD1 3.91Å; I869-L941 HydrophobicContact CG2-CD2 3.58Å; I869-L941 HydrophobicContact CG2-CG 4.42Å; I869-F945 HydrophobicContact CG2-CZ 4.26Å
870	V	89.1	Confident	85	Confident	2 Å²	2	28.3 Å²	28.3	1%	0.012	15%	0.149	C	C	.	.	H	α-helix	trans	-62.5	-45.9	176.2	170.8	0	0	0	0	111	V866 G874 P882 L883 L941 I944	V866-V870 HydrophobicContact CG1-CG2 3.94Å; V866-V870 WeakPolarHBondContact O-CB 3.29Å; V866-V870 VanDerWaalsContact O-CG2 3.31Å; V866-V870 WeakPolarHBondContact O-CG2 3.4Å; V866-V870 PolarHBondContact O-N 2.92Å; V870-G874 WeakPolarHBondContact O-CA 3.39Å; V870-G874 PolarHBondContact O-N 2.95Å; V870-P882 HydrophobicContact CG1-CG 3.88Å; V870-L883 HydrophobicContact CG1-CD1 4.09Å; V870-L941 HydrophobicContact CG2-CD2 3.71Å; V870-I944 HydrophobicContact CB-CG2 4.5Å; V870-I944 HydrophobicContact CG1-CG2 3.92Å; V870-I944 HydrophobicContact CG2-CB 4.25Å; V870-I944 HydrophobicContact CG2-CG1 4.45Å; V870-I944 HydrophobicContact CG2-CG2 3.7Å
871	A	83.2	Confident	84.2	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-67.5	-39.4	178.4	0	0	0	0	0	112.6	V413 A867 A875 M888	V413-A871 HydrophobicContact CG2-CB 3.49Å; V413-A871 VanDerWaalsContact CG2-CB 3.49Å; A867-A871 WeakPolarHBondContact O-CB 3.34Å; A867-A871 PolarHBondContact O-N 3.1Å; A871-A875 VanDerWaalsContact O-CB 3.31Å; A871-A875 WeakPolarHBondContact O-CB 3.33Å; A871-A875 PolarHBondContact O-N 3.17Å; A871-A875 VanDerWaalsContact O-N 3.1Å; A871-M888 HydrophobicContact CB-CE 4.13Å
872	F	85.9	Confident	83.6	Confident	75 Å²	75	27.2 Å²	27.2	33%	0.329	14%	0.144	S	C	.	.	H	α-helix	trans	-67.7	-47.8	176.5	178.2	-96.6	0	0	0	112.4	V370 A373 I377 I868 I869 C876	V370-F872 HydrophobicContact CG1-CB 3.9Å; V370-F872 HydrophobicContact CG1-CD2 3.81Å; V370-F872 HydrophobicContact CG1-CG 4.11Å; A373-F872 HydrophobicContact CB-CE2 4.15Å; I377-F872 HydrophobicContact CD1-CE2 3.61Å; I377-F872 HydrophobicContact CD1-CZ 3.89Å; I868-F872 VanDerWaalsContact O-CB 3.28Å; I868-F872 WeakPolarHBondContact O-CB 3.43Å; I868-F872 PolarHBondContact O-N 2.91Å; I869-F872 PolarHBondContact O-N 3.1Å; F872-C876 PolarHBondContact O-N 3.03Å; F872-C876 PolarHBondContact O-SG 2.99Å
873	A	85.9	Confident	83.1	Confident	10 Å²	10	27.4 Å²	27.4	8%	0.083	15%	0.145	C	C	.	.	H	α-helix	trans	-66.8	-41.8	179	0	0	0	0	0	111.2	I869 C876 F877 F945	I869-A873 WeakPolarHBondContact O-CB 3.16Å; I869-A873 PolarHBondContact O-N 3.32Å; A873-C876 PolarHBondContact O-N 3.05Å; A873-C876 VanDerWaalsContact O-N 3.11Å; A873-F877 HydrophobicContact CB-CD2 4.29Å; A873-F877 HydrophobicContact CB-CE2 4.18Å; A873-F877 WeakPolarHBondContact O-CD2 3.47Å; A873-F877 PolarHBondContact O-N 3.36Å; A873-F945 HydrophobicContact CB-CE1 3.63Å; A873-F945 HydrophobicContact CB-CZ 3.7Å
874	G	80	Confident	82.4	Confident	2 Å²	2	29.4 Å²	29.4	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-50	-59.9	171.9	0	0	0	0	0	111.2	V870 C876 F877 L878	V870-G874 WeakPolarHBondContact O-CA 3.39Å; V870-G874 PolarHBondContact O-N 2.95Å; G874-C876 PolarHBondContact O-N 3.42Å; G874-C876 VanDerWaalsContact O-N 3.07Å; G874-F877 PolarHBondContact O-N 3.24Å; G874-L878 CarbonylContact O-C 3.58Å; G874-L878 WeakPolarHBondContact O-CA 3.21Å; G874-L878 WeakPolarHBondContact O-CB 3.49Å; G874-L878 PolarHBondContact O-N 3.03Å
875	A	79.9	Confident	81.9	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-11.3	178.6	0	0	0	0	0	116.1	T374 L378 A871 L878	T374-A875 HydrophobicContact CG2-CB 3.62Å; L378-A875 HydrophobicContact CD1-CB 3.93Å; L378-A875 HydrophobicContact CD2-CB 3.82Å; L378-A875 HydrophobicContact CG-CB 3.87Å; A871-A875 VanDerWaalsContact O-CB 3.31Å; A871-A875 WeakPolarHBondContact O-CB 3.33Å; A871-A875 PolarHBondContact O-N 3.17Å; A871-A875 VanDerWaalsContact O-N 3.1Å; A875-L878 CarbonylContact C-O 3.48Å
876	C	82.2	Confident	81.4	Confident	41 Å²	41	27.6 Å²	27.6	28%	0.277	14%	0.142	S	C	.	.	H	α-helix	trans	-89.3	-49.6	172.3	-67.5	0	0	0	0	111.3	K381 F872 A873 G874	K381-C876 PolarHBondContact NZ-O 2.93Å; F872-C876 PolarHBondContact O-N 3.03Å; F872-C876 PolarHBondContact O-SG 2.99Å; A873-C876 PolarHBondContact O-N 3.05Å; A873-C876 VanDerWaalsContact O-N 3.11Å; G874-C876 PolarHBondContact O-N 3.42Å; G874-C876 VanDerWaalsContact O-N 3.07Å
877	F	81.6	Confident	81.1	Confident	134 Å²	134	27.8 Å²	27.8	59%	0.588	14%	0.142	S	C	*	.	H	α-helix	trans	-83.6	-55.6	-174.6	-60.6	-60.3	0	0	0	111.6	K381 A873 G874 F949	K381-F877 PolarHBondContact NZ-O 3.1Å; K381-F877 VanDerWaalsContact NZ-O 3.17Å; A873-F877 HydrophobicContact CB-CD2 4.29Å; A873-F877 HydrophobicContact CB-CE2 4.18Å; A873-F877 WeakPolarHBondContact O-CD2 3.47Å; A873-F877 PolarHBondContact O-N 3.36Å; G874-F877 PolarHBondContact O-N 3.24Å; F877-F949 HydrophobicContact CB-CE1 4.43Å; F877-F949 HydrophobicContact CB-CZ 4.2Å; F877-F949 HydrophobicContact CD2-CZ 4.03Å; F877-F949 HydrophobicContact CG-CZ 4.13Å
878	L	70	Confident	80.9	Confident	35 Å²	35	27.9 Å²	27.9	18%	0.183	14%	0.142	C	C	.	.	S	Bend	trans	-81.4	159.8	171	-57.4	169.9	0	0	0	109.4	K381 G874 A875 D880 P882 L948 Y972	K381-L878 PolarHBondContact NZ-O 3.25Å; G874-L878 CarbonylContact O-C 3.58Å; G874-L878 WeakPolarHBondContact O-CA 3.21Å; G874-L878 WeakPolarHBondContact O-CB 3.49Å; G874-L878 PolarHBondContact O-N 3.03Å; A875-L878 CarbonylContact C-O 3.48Å; L878-D880 PolarHBondContact O-N 3.37Å; L878-P882 HydrophobicContact CD1-CB 4.45Å; L878-L948 HydrophobicContact CD1-CD1 3.98Å; L878-L948 HydrophobicContact CD1-CD2 4.1Å; L878-L948 HydrophobicContact CD1-CG 4.09Å; L878-Y972 HydrophobicContact CD1-CE1 4.24Å
879	D	71.1	Confident	80.5	Confident	86 Å²	86	27.3 Å²	27.3	46%	0.46	14%	0.14	S	C	.	.	S	Bend	trans	-89.7	11.4	177.1	-73.7	-83.5	0	0	0	113.3	K381	K381-D879 WeakPolarHBondContact CD-OD1 3.45Å; K381-D879 VanDerWaalsContact CE-CG 3.49Å; K381-D879 WeakPolarHBondContact CE-OD1 3.4Å; K381-D879 WeakPolarHBondContact CE-OD2 3.07Å; K381-D879 IonicContact NZ-OD1 3.21Å; K381-D879 PolarHBondContact NZ-OD1 3.49Å; K381-D879 IonicContact NZ-OD2 2.73Å; K381-D879 PolarHBondContact NZ-OD2 3.01Å
880	D	68.9	Low	80.3	Confident	37 Å²	37	25.5 Å²	25.5	20%	0.198	13%	0.129	C	C	.	.	S	Bend	trans	-149.9	166.7	174.1	-164.2	7.1	0	0	0	110.4	L878 K884	L878-D880 PolarHBondContact O-N 3.37Å; D880-K884 IonicContact OD2-NZ 2.77Å; D880-K884 PolarHBondContact OD2-NZ 3.34Å
881	S	75.7	Confident	80.2	Confident	6 Å²	6	25.6 Å²	25.6	4%	0.042	13%	0.129	C	C	.	.			trans	-74.1	133.8	169.8	174.2	0	0	0	0	110.7	L883	S881-L883 WeakPolarHBondContact CB-O 3.29Å; S881-L883 PolarHBondContact O-N 3Å; S881-L883 VanDerWaalsContact O-N 3.08Å; S881-L883 PolarHBondContact OG-N 3.19Å; S881-L883 PolarHBondContact OG-O 3.34Å
882	P	77.9	Confident	80.1	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.006	13%	0.132	C	C	.	.	S	Bend	trans	-68.3	-5	174.6	31.3	-38.3	0	0	0	113.5	V870 L878 L948 Y972	V870-P882 HydrophobicContact CG1-CG 3.88Å; L878-P882 HydrophobicContact CD1-CB 4.45Å; P882-L948 HydrophobicContact CB-CD1 3.66Å; P882-L948 HydrophobicContact CG-CD1 3.69Å; P882-Y972 HydrophobicContact CB-CD1 3.95Å; P882-Y972 HydrophobicContact CB-CE1 3.89Å
883	L	80.9	Confident	79.9	Confident	4 Å²	4	23.4 Å²	23.4	2%	0.021	12%	0.121	C	C	.	.	S	Bend	trans	-125.5	120.9	174.9	-59.9	169.4	0	0	0	108.7	V870 S881 M888 F976 L979	V870-L883 HydrophobicContact CG1-CD1 4.09Å; S881-L883 WeakPolarHBondContact CB-O 3.29Å; S881-L883 PolarHBondContact O-N 3Å; S881-L883 VanDerWaalsContact O-N 3.08Å; S881-L883 PolarHBondContact OG-N 3.19Å; S881-L883 PolarHBondContact OG-O 3.34Å; L883-M888 HydrophobicContact CB-CG 3.81Å; L883-M888 HydrophobicContact CB-SD 3.87Å; L883-M888 HydrophobicContact CD1-SD 3.65Å; L883-M888 HydrophobicContact CG-SD 4.42Å; L883-F976 HydrophobicContact CD2-CB 4.08Å; L883-F976 HydrophobicContact CD2-CD2 4.33Å; L883-L979 HydrophobicContact CD1-CD2 3.55Å; L883-L979 HydrophobicContact CD2-CD2 4.32Å
884	K	78.6	Confident	79.8	Confident	42 Å²	42	23.2 Å²	23.2	18%	0.183	12%	0.118	C	C	.	.			trans	-75.2	161.8	179	-63.8	-66.2	-171.6	176.7	0	111.5	D880 I886 Q887 M888	D880-K884 IonicContact OD2-NZ 2.77Å; D880-K884 PolarHBondContact OD2-NZ 3.34Å; K884-I886 VanDerWaalsContact C-N 3.31Å; K884-I886 PolarHBondContact O-N 3.2Å; K884-Q887 WeakPolarHBondContact O-CB 3.42Å; K884-Q887 PolarHBondContact O-N 3.28Å; K884-Q887 VanDerWaalsContact O-N 3.1Å; K884-M888 PolarHBondContact O-N 2.95Å
885	A	77.9	Confident	80.1	Confident	9 Å²	9	23.1 Å²	23.1	7%	0.074	12%	0.117	C	C	.	.	H	α-helix	trans	-54.1	-43	-174.9	0	0	0	0	0	113.8	I144 I408 T412 M888 L889	I144-A885 HydrophobicContact CD1-CB 4.02Å; I144-A885 HydrophobicContact CG1-CB 4.23Å; I408-A885 HydrophobicContact CG2-CB 3.97Å; T412-A885 HydrophobicContact CG2-CB 4.43Å; A885-M888 PolarHBondContact O-N 2.77Å; A885-L889 VanDerWaalsContact O-CG 3.31Å; A885-L889 WeakPolarHBondContact O-CG 3.26Å; A885-L889 PolarHBondContact O-N 2.89Å
886	I	81.1	Confident	80.3	Confident	9 Å²	9	23.3 Å²	23.3	5%	0.046	12%	0.118	C	C	.	.	H	α-helix	trans	-67.8	-39.3	-179.3	-58.9	133.3	0	0	0	111.4	A143 I144 K884 L889 W890 F1031	A143-I886 HydrophobicContact CB-CD1 3.53Å; A143-I886 HydrophobicContact CB-CG1 3.88Å; I144-I886 HydrophobicContact CG1-CD1 4.49Å; I144-I886 HydrophobicContact CG1-CG1 4.02Å; K884-I886 VanDerWaalsContact C-N 3.31Å; K884-I886 PolarHBondContact O-N 3.2Å; I886-L889 PolarHBondContact O-N 3.37Å; I886-W890 PolarHBondContact O-N 3.02Å; I886-F1031 HydrophobicContact CG2-CD1 3.83Å; I886-F1031 HydrophobicContact CG2-CE1 4.05Å
887	Q	87.2	Confident	80.2	Confident	3 Å²	3	21.9 Å²	21.9	1%	0.014	11%	0.109	C	C	.	.	H	α-helix	trans	-64.8	-42	176.3	-65.4	166.9	-9.5	0	0	111.1	K884 W890 V891 F976 F1031 S1032	K884-Q887 WeakPolarHBondContact O-CB 3.42Å; K884-Q887 PolarHBondContact O-N 3.28Å; K884-Q887 VanDerWaalsContact O-N 3.1Å; Q887-W890 PolarHBondContact O-N 2.83Å; Q887-V891 WeakPolarHBondContact O-CG2 3.37Å; Q887-V891 PolarHBondContact O-N 3.38Å; Q887-F976 HydrophobicContact CB-CD2 3.77Å; Q887-F976 HydrophobicContact CB-CE2 3.67Å; Q887-F976 HydrophobicContact CB-CG 4.45Å; Q887-F976 HydrophobicContact CB-CZ 4.3Å; Q887-F976 HydrophobicContact CG-CD1 4.42Å; Q887-F976 HydrophobicContact CG-CD2 4.02Å; Q887-F976 HydrophobicContact CG-CE1 4.4Å; Q887-F976 HydrophobicContact CG-CE2 3.99Å; Q887-F976 HydrophobicContact CG-CG 4.24Å; Q887-F976 HydrophobicContact CG-CZ 4.18Å; Q887-F1031 WeakPolarHBondContact CG-O 3.47Å; Q887-F1031 PolarHBondContact NE2-O 3.47Å; Q887-S1032 PolarHBondContact NE2-O 3.42Å
888	M	83.4	Confident	80.4	Confident	3 Å²	3	17.3 Å²	17.3	2%	0.015	9%	0.09	C	C	.	.	H	α-helix	trans	-65.6	-37.8	175.4	-73.8	-72.7	-92.5	0	0	112.8	T412 V416 A867 A871 L883 K884 A885 V891 N892	T412-M888 HydrophobicContact CG2-CB 3.3Å; T412-M888 HydrophobicContact CG2-CG 3.84Å; V416-M888 HydrophobicContact CB-CE 4.24Å; V416-M888 HydrophobicContact CG1-CE 4.33Å; V416-M888 HydrophobicContact CG2-CB 3.97Å; V416-M888 HydrophobicContact CG2-CE 3.96Å; V416-M888 HydrophobicContact CG2-SD 4.37Å; A867-M888 HydrophobicContact CB-CE 4.4Å; A871-M888 HydrophobicContact CB-CE 4.13Å; L883-M888 HydrophobicContact CB-CG 3.81Å; L883-M888 HydrophobicContact CB-SD 3.87Å; L883-M888 HydrophobicContact CD1-SD 3.65Å; L883-M888 HydrophobicContact CG-SD 4.42Å; K884-M888 PolarHBondContact O-N 2.95Å; A885-M888 PolarHBondContact O-N 2.77Å; M888-V891 PolarHBondContact O-N 2.94Å; M888-N892 WeakPolarHBondContact O-CB 3.49Å; M888-N892 PolarHBondContact O-N 3.17Å
889	L	78.8	Confident	81.2	Confident	9 Å²	9	15.7 Å²	15.7	5%	0.047	8%	0.082	C	C	.	.	H	α-helix	trans	-66.5	-37.9	173	-70.4	167.5	0	0	0	112.3	L107 I144 A147 V415 A885 I886 N892 L893	L107-L889 HydrophobicContact CD2-CD1 4.06Å; L107-L889 HydrophobicContact CD2-CD2 3.82Å; I144-L889 HydrophobicContact CG2-CD1 4.46Å; A147-L889 HydrophobicContact CB-CD1 3.94Å; V415-L889 HydrophobicContact CG1-CD2 4.05Å; A885-L889 VanDerWaalsContact O-CG 3.31Å; A885-L889 WeakPolarHBondContact O-CG 3.26Å; A885-L889 PolarHBondContact O-N 2.89Å; I886-L889 PolarHBondContact O-N 3.37Å; L889-N892 PolarHBondContact O-N 2.96Å; L889-L893 PolarHBondContact O-N 2.84Å
890	W	86.8	Confident	81.9	Confident	28 Å²	28	11.7 Å²	11.7	11%	0.106	6%	0.06	C	C	.	.	H	α-helix	trans	-64.7	-46.4	173.7	173.3	-113.6	0	0	0	111.9	I886 Q887 N892 L893 I894 F976 L1019 I1023	I886-W890 PolarHBondContact O-N 3.02Å; Q887-W890 PolarHBondContact O-N 2.83Å; W890-N892 VanDerWaalsContact C-N 3.29Å; W890-N892 PolarHBondContact O-N 3.16Å; W890-L893 HydrophobicContact CE3-CD2 4.18Å; W890-L893 HydrophobicContact CZ3-CD2 4.11Å; W890-L893 PolarHBondContact O-N 2.96Å; W890-I894 HydrophobicContact CD2-CD1 4.19Å; W890-I894 HydrophobicContact CD2-CG1 4.4Å; W890-I894 HydrophobicContact CG-CD1 4.47Å; W890-I894 HydrophobicContact CH2-CG1 4.45Å; W890-I894 HydrophobicContact CZ2-CD1 3.77Å; W890-I894 HydrophobicContact CZ2-CG1 4.11Å; W890-I894 WeakPolarHBondContact O-CG1 3.44Å; W890-I894 PolarHBondContact O-N 2.9Å; W890-F976 AromaticContact CD1-CE2 3.99Å; W890-F976 AromaticContact CD1-CZ 3.65Å; W890-L1019 HydrophobicContact CH2-CB 3.71Å; W890-L1019 HydrophobicContact CH2-CD1 3.99Å; W890-L1019 HydrophobicContact CH2-CG 4.39Å; W890-L1019 HydrophobicContact CZ2-CB 3.87Å; W890-I1023 HydrophobicContact CD2-CD1 3.74Å; W890-I1023 HydrophobicContact CE3-CD1 4.18Å; W890-I1023 HydrophobicContact CG-CD1 4.3Å; W890-I1023 HydrophobicContact CH2-CD1 4.05Å; W890-I1023 HydrophobicContact CZ2-CD1 3.55Å; W890-I1023 HydrophobicContact CZ3-CD1 4.32Å
891	V	86.7	Confident	82.6	Confident	3 Å²	3	11.5 Å²	11.5	2%	0.018	6%	0.059	C	C	.	.	H	α-helix	trans	-56.1	-44.2	172.4	169.1	0	0	0	0	110.5	V863 Q887 M888 L893 I894 M895 F976 V980	V863-V891 HydrophobicContact CG1-CG1 4.17Å; Q887-V891 WeakPolarHBondContact O-CG2 3.37Å; Q887-V891 PolarHBondContact O-N 3.38Å; M888-V891 PolarHBondContact O-N 2.94Å; V891-L893 PolarHBondContact O-N 3.15Å; V891-I894 PolarHBondContact O-N 3.44Å; V891-M895 HydrophobicContact CG1-SD 3.71Å; V891-M895 WeakPolarHBondContact O-CB 3.42Å; V891-M895 WeakPolarHBondContact O-CG 3.22Å; V891-M895 PolarHBondContact O-N 3.14Å; V891-F976 HydrophobicContact CG2-CE2 4.26Å; V891-V980 HydrophobicContact CG2-CG2 3.98Å
892	N	82.6	Confident	83.1	Confident	13 Å²	13	11.2 Å²	11.2	7%	0.07	6%	0.057	C	C	.	.	H	α-helix	trans	-61.5	-43.4	176.6	-160.8	29.6	0	0	0	113	V416 M888 L889 W890 I894 M895 D896	V416-N892 HydrophobicContact CG2-CB 4.38Å; M888-N892 WeakPolarHBondContact O-CB 3.49Å; M888-N892 PolarHBondContact O-N 3.17Å; L889-N892 PolarHBondContact O-N 2.96Å; W890-N892 VanDerWaalsContact C-N 3.29Å; W890-N892 PolarHBondContact O-N 3.16Å; N892-I894 PolarHBondContact O-N 3.43Å; N892-M895 PolarHBondContact O-N 2.86Å; N892-D896 VanDerWaalsContact O-CB 3.32Å; N892-D896 WeakPolarHBondContact O-CB 3.26Å; N892-D896 PolarHBondContact O-N 2.79Å
893	L	81.6	Confident	83.6	Confident	16 Å²	16	11.3 Å²	11.3	8%	0.084	6%	0.058	C	C	.	.	I	π-helix	trans	-62.6	-42.4	178.8	-176.3	66.5	0	0	0	111.9	V150 V151 V154 L889 W890 V891 T897 L898	V150-L893 HydrophobicContact CG1-CD2 4.37Å; V151-L893 HydrophobicContact CG2-CD1 4.4Å; V154-L893 HydrophobicContact CB-CD1 4.3Å; V154-L893 HydrophobicContact CG1-CD1 4.27Å; L889-L893 PolarHBondContact O-N 2.84Å; W890-L893 HydrophobicContact CE3-CD2 4.18Å; W890-L893 HydrophobicContact CZ3-CD2 4.11Å; W890-L893 PolarHBondContact O-N 2.96Å; V891-L893 PolarHBondContact O-N 3.15Å; L893-T897 HydrophobicContact CD1-CG2 4.41Å; L893-T897 WeakPolarHBondContact O-CB 3.48Å; L893-T897 PolarHBondContact O-N 3.1Å; L893-L898 PolarHBondContact O-N 3.3Å; L893-L898 VanDerWaalsContact O-N 3.12Å
894	I	84.1	Confident	83.8	Confident	6 Å²	6	11.1 Å²	11.1	3%	0.031	6%	0.057	C	C	.	.	I	π-helix	trans	-61.1	-58.3	172.8	-65.2	171.9	0	0	0	109.8	W890 V891 N892 D896 L898 A899 V980 T1016	W890-I894 HydrophobicContact CD2-CD1 4.19Å; W890-I894 HydrophobicContact CD2-CG1 4.4Å; W890-I894 HydrophobicContact CG-CD1 4.47Å; W890-I894 HydrophobicContact CH2-CG1 4.45Å; W890-I894 HydrophobicContact CZ2-CD1 3.77Å; W890-I894 HydrophobicContact CZ2-CG1 4.11Å; W890-I894 WeakPolarHBondContact O-CG1 3.44Å; W890-I894 PolarHBondContact O-N 2.9Å; V891-I894 PolarHBondContact O-N 3.44Å; N892-I894 PolarHBondContact O-N 3.43Å; I894-D896 PolarHBondContact O-N 2.89Å; I894-L898 PolarHBondContact O-N 2.85Å; I894-A899 PolarHBondContact O-N 3.01Å; I894-V980 HydrophobicContact CD1-CG1 3.85Å; I894-T1016 HydrophobicContact CB-CG2 4.38Å; I894-T1016 HydrophobicContact CD1-CG2 3.59Å; I894-T1016 HydrophobicContact CG1-CG2 3.62Å; I894-T1016 HydrophobicContact CG2-CG2 3.89Å
895	M	84.9	Confident	84.1	Confident	1 Å²	1	9.3 Å²	9.3	1%	0.005	5%	0.049	C	C	.	.	I	π-helix	trans	-70	-40.2	-164.8	69.2	-162.2	-110.5	0	0	112.8	V416 F859 Q860 V863 N864 V891 N892 A899	V416-M895 HydrophobicContact CG1-CE 4.2Å; V416-M895 HydrophobicContact CG1-SD 4.47Å; F859-M895 HydrophobicContact CE1-CB 4.02Å; F859-M895 WeakPolarHBondContact CE1-O 3.42Å; Q860-M895 VanDerWaalsContact OE1-CG 3.31Å; Q860-M895 PolarHBondContact OE1-O 2.92Å; Q860-M895 VanDerWaalsContact OE1-O 3.06Å; V863-M895 HydrophobicContact CB-CB 4.34Å; V863-M895 HydrophobicContact CB-CE 3.94Å; V863-M895 HydrophobicContact CB-SD 4.01Å; V863-M895 HydrophobicContact CG1-CB 4.21Å; V863-M895 HydrophobicContact CG1-CE 3.9Å; V863-M895 HydrophobicContact CG1-CG 4.44Å; V863-M895 HydrophobicContact CG1-SD 3.42Å; V863-M895 WeakPolarHBondContact CG1-SD 3.24Å; V863-M895 HydrophobicContact CG2-CB 4.38Å; N864-M895 HydrophobicContact CB-CE 4.47Å; N864-M895 WeakPolarHBondContact OD1-CE 3.35Å; V891-M895 HydrophobicContact CG1-SD 3.71Å; V891-M895 WeakPolarHBondContact O-CB 3.42Å; V891-M895 WeakPolarHBondContact O-CG 3.22Å; V891-M895 PolarHBondContact O-N 3.14Å; N892-M895 PolarHBondContact O-N 2.86Å; M895-A899 WeakPolarHBondContact O-CB 3.46Å
896	D	84	Confident	84.4	Confident	3 Å²	3	9.9 Å²	9.9	2%	0.016	5%	0.05	C	C	.	.	I	π-helix	trans	-92.6	-43.2	-173.1	-152.7	4.1	0	0	0	111.8	P419 E420 G421 F856 Q860 N892 I894 S900	P419-D896 WeakPolarHBondContact CA-OD2 3.11Å; E420-D896 PolarHBondContact N-OD2 3.08Å; G421-D896 WeakPolarHBondContact CA-OD1 2.77Å; G421-D896 PolarHBondContact N-OD1 2.98Å; G421-D896 PolarHBondContact N-OD2 2.97Å; F856-D896 WeakPolarHBondContact CZ-OD1 3.34Å; Q860-D896 VanDerWaalsContact NE2-CB 3.32Å; Q860-D896 PolarHBondContact NE2-OD1 3.19Å; N892-D896 VanDerWaalsContact O-CB 3.32Å; N892-D896 WeakPolarHBondContact O-CB 3.26Å; N892-D896 PolarHBondContact O-N 2.79Å; I894-D896 PolarHBondContact O-N 2.89Å; D896-S900 WeakPolarHBondContact O-CB 3.5Å; D896-S900 PolarHBondContact O-OG 2.9Å
897	T	81.3	Confident	84.6	Confident	12 Å²	12	13.2 Å²	13.2	7%	0.074	7%	0.066	C	C	.	.	I	π-helix	trans	-97.2	-42.7	-170.3	-58.9	0	0	0	0	113.7	V154 N158 L893 S900	V154-T897 HydrophobicContact CG1-CG2 3.69Å; N158-T897 WeakPolarHBondContact ND2-CG2 3.35Å; L893-T897 HydrophobicContact CD1-CG2 4.41Å; L893-T897 WeakPolarHBondContact O-CB 3.48Å; L893-T897 PolarHBondContact O-N 3.1Å; T897-S900 PolarHBondContact O-OG 2.67Å; T897-S900 VanDerWaalsContact O-OG 3.13Å
898	L	84.9	Confident	84.7	Confident	37 Å²	37	14.2 Å²	14.2	19%	0.194	7%	0.072	C	C	.	.	I	π-helix	trans	-78.2	-46.8	178.7	-64.4	-179.3	0	0	0	111.6	L893 I894 S900 L901 A902 I1012	L893-L898 PolarHBondContact O-N 3.3Å; L893-L898 VanDerWaalsContact O-N 3.12Å; I894-L898 PolarHBondContact O-N 2.85Å; L898-S900 VanDerWaalsContact C-N 3.34Å; L898-S900 PolarHBondContact O-N 2.95Å; L898-L901 WeakPolarHBondContact O-CB 3.47Å; L898-L901 PolarHBondContact O-N 2.69Å; L898-A902 PolarHBondContact O-N 2.95Å; L898-I1012 HydrophobicContact CB-CG2 3.88Å
899	A	86.7	Confident	84.7	Confident	2 Å²	2	15.8 Å²	15.8	2%	0.017	8%	0.084	C	C	.	.	H	α-helix	trans	-70.9	-26.1	179.4	0	0	0	0	0	113.3	F859 I894 M895 A902 L903 E987	F859-A899 HydrophobicContact CD1-CB 3.66Å; F859-A899 HydrophobicContact CE1-CB 3.23Å; F859-A899 HydrophobicContact CZ-CB 4.02Å; I894-A899 PolarHBondContact O-N 3.01Å; M895-A899 WeakPolarHBondContact O-CB 3.46Å; A899-A902 PolarHBondContact O-N 3.24Å; A899-L903 HydrophobicContact CB-CD1 4.43Å; A899-L903 VanDerWaalsContact O-CB 3.25Å; A899-L903 WeakPolarHBondContact O-CB 3.1Å; A899-L903 WeakPolarHBondContact O-CG 3.31Å; A899-L903 PolarHBondContact O-N 3.25Å; A899-E987 HydrophobicContact CB-CG 4.4Å
900	S	85.3	Confident	85.1	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.007	11%	0.111	C	C	.	.	H	α-helix	trans	-64	-43.2	169.2	58.4	0	0	0	0	111.4	F856 D896 T897 L898 A902 A904	F856-S900 VanDerWaalsContact CD2-CA 3.47Å; D896-S900 WeakPolarHBondContact O-CB 3.5Å; D896-S900 PolarHBondContact O-OG 2.9Å; T897-S900 PolarHBondContact O-OG 2.67Å; T897-S900 VanDerWaalsContact O-OG 3.13Å; L898-S900 VanDerWaalsContact C-N 3.34Å; L898-S900 PolarHBondContact O-N 2.95Å; S900-A902 VanDerWaalsContact C-N 3.35Å; S900-A902 PolarHBondContact O-N 2.57Å; S900-A904 WeakPolarHBondContact O-CB 3.35Å; S900-A904 PolarHBondContact O-N 2.95Å
901	L	83.3	Confident	85	Confident	34 Å²	34	23.6 Å²	23.6	18%	0.178	13%	0.128	C	C	.	.	H	α-helix	trans	-63.5	-39	175.2	-179.4	61.6	0	0	0	112.3	L428 L898 T905 L1008 I1012	L428-L901 HydrophobicContact CD1-CD1 3.76Å; L428-L901 HydrophobicContact CD2-CD1 3.76Å; L428-L901 HydrophobicContact CG-CD1 4.42Å; L898-L901 WeakPolarHBondContact O-CB 3.47Å; L898-L901 PolarHBondContact O-N 2.69Å; L901-T905 VanDerWaalsContact O-CG2 3.25Å; L901-T905 WeakPolarHBondContact O-CG2 3.33Å; L901-T905 PolarHBondContact O-OG1 2.93Å; L901-L1008 HydrophobicContact CD1-CD2 4Å; L901-L1008 HydrophobicContact CG-CD2 4.09Å; L901-I1012 HydrophobicContact CB-CD1 3.98Å; L901-I1012 HydrophobicContact CD2-CD1 3.74Å; L901-I1012 HydrophobicContact CG-CD1 3.64Å
902	A	86.9	Confident	85	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-70.6	-46.9	178.8	0	0	0	0	0	113.3	L898 A899 S900 T905 E987 N1006 F1009 I1012	L898-A902 PolarHBondContact O-N 2.95Å; A899-A902 PolarHBondContact O-N 3.24Å; S900-A902 VanDerWaalsContact C-N 3.35Å; S900-A902 PolarHBondContact O-N 2.57Å; A902-T905 PolarHBondContact O-OG1 2.95Å; A902-E987 VanDerWaalsContact CB-OE1 3.32Å; A902-E987 WeakPolarHBondContact CB-OE1 3.48Å; A902-N1006 PolarHBondContact O-ND2 2.8Å; A902-F1009 HydrophobicContact CB-CB 4.44Å; A902-F1009 HydrophobicContact CB-CD2 3.79Å; A902-F1009 HydrophobicContact CB-CE2 4.47Å; A902-F1009 HydrophobicContact CB-CG 4.44Å; A902-I1012 HydrophobicContact CB-CB 4.27Å; A902-I1012 HydrophobicContact CB-CD1 3.93Å; A902-I1012 HydrophobicContact CB-CG2 4.16Å
903	L	88.6	Confident	85.4	Confident	2 Å²	2	23.6 Å²	23.6	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-85	-30.2	-174.5	-64.9	171.6	0	0	0	113.6	F856 F859 A899 T905 E987 R991 F1009	F856-L903 HydrophobicContact CB-CB 4.19Å; F856-L903 HydrophobicContact CB-CD1 4.39Å; F856-L903 HydrophobicContact CD2-CD1 4.5Å; F859-L903 HydrophobicContact CB-CD1 3.9Å; F859-L903 HydrophobicContact CD1-CD1 4.28Å; F859-L903 HydrophobicContact CG-CD1 4.13Å; A899-L903 HydrophobicContact CB-CD1 4.43Å; A899-L903 VanDerWaalsContact O-CB 3.25Å; A899-L903 WeakPolarHBondContact O-CB 3.1Å; A899-L903 WeakPolarHBondContact O-CG 3.31Å; A899-L903 PolarHBondContact O-N 3.25Å; L903-T905 PolarHBondContact O-N 3.15Å; L903-E987 HydrophobicContact CD1-CG 4.17Å; L903-E987 HydrophobicContact CD2-CG 4.39Å; L903-E987 HydrophobicContact CG-CG 4.37Å; L903-R991 HydrophobicContact CD2-CG 3.5Å; L903-F1009 HydrophobicContact CD2-CD2 4.17Å; L903-F1009 HydrophobicContact CD2-CE2 3.77Å; L903-F1009 HydrophobicContact CG-CE2 4.5Å
904	A	85.1	Confident	85.7	Confident	1 Å²	1	27 Å²	27	1%	0.008	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-18	-179.6	0	0	0	0	0	114.3	L428 S429 S900	L428-A904 HydrophobicContact CD2-CB 4.47Å; S429-A904 WeakPolarHBondContact CB-O 3.29Å; S429-A904 PolarHBondContact OG-O 3Å; S900-A904 WeakPolarHBondContact O-CB 3.35Å; S900-A904 PolarHBondContact O-N 2.95Å
905	T	84.1	Confident	85.9	Confident	3 Å²	3	29.2 Å²	29.2	2%	0.018	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	9.4	-167.6	53.3	0	0	0	0	114.5	L428 Y432 L901 A902 L903 N1006 L1008	L428-T905 HydrophobicContact CD2-CG2 3.62Å; Y432-T905 HydrophobicContact CD2-CG2 3.91Å; Y432-T905 HydrophobicContact CE2-CG2 4.35Å; Y432-T905 HydrophobicContact CG-CG2 4.28Å; Y432-T905 PolarHBondContact OH-O 3.47Å; L901-T905 VanDerWaalsContact O-CG2 3.25Å; L901-T905 WeakPolarHBondContact O-CG2 3.33Å; L901-T905 PolarHBondContact O-OG1 2.93Å; A902-T905 PolarHBondContact O-OG1 2.95Å; L903-T905 PolarHBondContact O-N 3.15Å; T905-N1006 PolarHBondContact OG1-ND2 2.71Å; T905-L1008 HydrophobicContact CG2-CD2 4.05Å
906	E	84	Confident	86	Confident	22 Å²	22	32.4 Å²	32.4	10%	0.103	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-67.6	147.2	178.9	-168	164.2	-123.1	0	0	112.9	N848 K855 R991	N848-E906 PolarHBondContact ND2-O 2.87Å; K855-E906 WeakPolarHBondContact CE-OE2 3.48Å; K855-E906 IonicContact NZ-OE2 3.38Å; K855-E906 PolarHBondContact NZ-OE2 3.21Å; E906-R991 IonicContact OE1-CZ 2.94Å; E906-R991 VanDerWaalsContact OE1-CZ 3.23Å; E906-R991 IonicContact OE1-NE 3.64Å; E906-R991 PolarHBondContact OE1-NE 3.06Å; E906-R991 IonicContact OE1-NH2 2.3Å; E906-R991 PolarHBondContact OE1-NH2 3.22Å
907	Q	86.4	Confident	86.1	Confident	79 Å²	79	33.2 Å²	33.2	37%	0.369	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-85.9	147.7	-177.8	-63.9	-178.9	11.3	0	0	112.3	R1005	Q907-R1005 PolarHBondContact NE2-O 3.31Å; Q907-R1005 VanDerWaalsContact NE2-O 3.17Å
908	P	88.2	Confident	85.9	Confident	23 Å²	23	34.3 Å²	34.3	15%	0.149	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-62.3	152.5	176.7	25.3	-34.7	0	0	0	113.4	M844 W845 N848 L912	M844-P908 HydrophobicContact CG-CB 3.83Å; M844-P908 HydrophobicContact SD-CB 3.89Å; M844-P908 HydrophobicContact SD-CG 4.41Å; W845-P908 HydrophobicContact CD2-CG 4.03Å; W845-P908 HydrophobicContact CE3-CG 4.25Å; W845-P908 HydrophobicContact CH2-CG 4.02Å; W845-P908 HydrophobicContact CZ2-CG 3.78Å; W845-P908 HydrophobicContact CZ3-CG 4.26Å; N848-P908 HydrophobicContact CB-CB 3.93Å; P908-L912 HydrophobicContact CB-CD1 3.97Å
909	S	85.1	Confident	85.4	Confident	37 Å²	37	32.6 Å²	32.6	26%	0.259	18%	0.18	S	C	.	.			trans	-117.3	155.3	168.2	66.1	0	0	0	0	111	E911 L912	S909-E911 PolarHBondContact O-N 2.86Å; S909-L912 VanDerWaalsContact O-CB 3.3Å; S909-L912 WeakPolarHBondContact O-CB 3.4Å; S909-L912 VanDerWaalsContact O-CG 3.28Å; S909-L912 WeakPolarHBondContact O-CG 3.26Å; S909-L912 PolarHBondContact O-N 2.91Å; S909-L912 VanDerWaalsContact O-N 3.17Å
910	V	85.7	Confident	84.8	Confident	100 Å²	100	34.6 Å²	34.6	61%	0.606	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-65.8	-27.4	178.4	-174.5	0	0	0	0	111.6	M844 L912 L913	M844-V910 HydrophobicContact CE-CG2 4.33Å; V910-L912 PolarHBondContact O-N 3.26Å; V910-L913 WeakPolarHBondContact O-CB 3.48Å; V910-L913 PolarHBondContact O-N 2.9Å
911	E	85.6	Confident	84.3	Confident	100 Å²	100	39 Å²	39	47%	0.467	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-51.4	-27.1	172.1	-58.5	167.6	-165.2	0	0	113	S909 L913 D914 Q996	S909-E911 PolarHBondContact O-N 2.86Å; E911-L913 PolarHBondContact O-N 2.81Å; E911-D914 PolarHBondContact O-N 3.19Å; E911-Q996 PolarHBondContact OE2-NE2 3.44Å
912	L	87.4	Confident	83.9	Confident	10 Å²	10	41.6 Å²	41.6	5%	0.052	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-62.2	-20.4	175.8	-62.3	176.1	0	0	0	113	M844 R847 N848 D851 P908 S909 V910	M844-L912 HydrophobicContact CG-CB 4.36Å; M844-L912 HydrophobicContact CG-CD1 4.3Å; R847-L912 HydrophobicContact CB-CB 4.26Å; R847-L912 HydrophobicContact CB-CD1 4.48Å; R847-L912 WeakPolarHBondContact CD-O 3.3Å; R847-L912 PolarHBondContact NH1-O 3.43Å; N848-L912 HydrophobicContact CB-CD1 3.78Å; D851-L912 WeakPolarHBondContact OD2-CD2 3.21Å; P908-L912 HydrophobicContact CB-CD1 3.97Å; S909-L912 VanDerWaalsContact O-CB 3.3Å; S909-L912 WeakPolarHBondContact O-CB 3.4Å; S909-L912 VanDerWaalsContact O-CG 3.28Å; S909-L912 WeakPolarHBondContact O-CG 3.26Å; S909-L912 PolarHBondContact O-N 2.91Å; S909-L912 VanDerWaalsContact O-N 3.17Å; V910-L912 PolarHBondContact O-N 3.26Å
913	L	89.6	Confident	83.6	Confident	7 Å²	7	46 Å²	46	4%	0.037	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-89.8	-6.7	175.9	-58.9	-178.9	0	0	0	113.5	A700 V840 V843 M844 V910 E911 R915	A700-L913 WeakPolarHBondContact CA-O 3.42Å; A700-L913 HydrophobicContact CB-CB 4.36Å; A700-L913 HydrophobicContact CB-CD2 4.31Å; A700-L913 WeakPolarHBondContact CB-O 3.35Å; A700-L913 PolarHBondContact N-O 3.1Å; V840-L913 HydrophobicContact CG1-CD1 3.69Å; V840-L913 HydrophobicContact CG1-CD2 4.32Å; V843-L913 HydrophobicContact CG1-CD2 4.04Å; M844-L913 HydrophobicContact CB-CD2 4.3Å; M844-L913 HydrophobicContact CE-CD1 3.65Å; M844-L913 HydrophobicContact CE-CG 4.14Å; V910-L913 WeakPolarHBondContact O-CB 3.48Å; V910-L913 PolarHBondContact O-N 2.9Å; E911-L913 PolarHBondContact O-N 2.81Å; L913-R915 VanDerWaalsContact C-N 3.3Å; L913-R915 PolarHBondContact O-N 3.21Å
914	D	89.5	Confident	83.3	Confident	88 Å²	88	46.7 Å²	46.7	47%	0.471	26%	0.258	S	S	.	.	S	Bend	trans	-90	7.5	-177.7	-65.3	-29.6	0	0	0	113.6	K699 E911	K699-D914 WeakPolarHBondContact CE-OD1 3.31Å; K699-D914 IonicContact NZ-OD1 3.65Å; K699-D914 PolarHBondContact NZ-OD1 2.61Å; K699-D914 IonicContact NZ-OD2 2.7Å; E911-D914 PolarHBondContact O-N 3.19Å
915	R	86.9	Confident	83.3	Confident	51 Å²	51	49.5 Å²	49.5	19%	0.192	27%	0.272	C	S	.	.	S	Bend	trans	-127.9	159.2	179.5	68.9	177.6	-164.5	-132.2	0	112.4	R847 D851 L913 Y918 H994	R847-R915 PolarHBondContact NH1-O 2.89Å; D851-R915 IonicContact OD1-CZ 3.42Å; D851-R915 IonicContact OD1-NH1 2.92Å; D851-R915 IonicContact OD1-NH2 2.69Å; D851-R915 PolarHBondContact OD1-NH2 3.42Å; D851-R915 IonicContact OD2-CZ 2.63Å; D851-R915 VanDerWaalsContact OD2-CZ 3.23Å; D851-R915 IonicContact OD2-NH1 3.23Å; D851-R915 PolarHBondContact OD2-NH1 3.47Å; D851-R915 IonicContact OD2-NH2 3.97Å; D851-R915 PolarHBondContact OD2-NH2 3.14Å; L913-R915 VanDerWaalsContact C-N 3.3Å; L913-R915 PolarHBondContact O-N 3.21Å; R915-Y918 PolarHBondContact NH2-OH 3.23Å; R915-H994 PolarHBondContact NH1-CE1 3Å
916	A	87	Confident	83.3	Confident	68 Å²	68	51.9 Å²	51.9	56%	0.562	29%	0.289	S	S	*	.			trans	-69.8	155.6	169.1	0	0	0	0	0	112.2
917	P	85.9	Confident	83.4	Confident	21 Å²	21	56.6 Å²	56.6	14%	0.136	31%	0.306	C	S	.	.			trans	-68.2	147.8	173.5	29.4	-36.6	0	0	0	112.3	A456 T457 G919	A456-P917 WeakPolarHBondContact O-CG 3.45Å; T457-P917 HydrophobicContact CG2-CG 3.74Å; P917-G919 VanDerWaalsContact C-N 3.34Å; P917-G919 PolarHBondContact O-N 3.06Å
918	Y	77.6	Confident	83.4	Confident	34 Å²	34	54 Å²	54	13%	0.133	29%	0.294	C	S	.	.			trans	-64.7	-37.1	178.3	-58.1	-73.7	0	0	0	112.5	Y850 D851 R915 Q922 H994	Y850-Y918 AromaticContact CD1-CD2 3.54Å; Y850-Y918 HydrophobicContact CD1-CD2 3.54Å; Y850-Y918 AromaticContact CD1-CE2 3.18Å; Y850-Y918 HydrophobicContact CD1-CE2 3.18Å; Y850-Y918 HydrophobicContact CD1-CG 4.48Å; Y850-Y918 AromaticContact CD1-CZ 3.9Å; Y850-Y918 HydrophobicContact CE1-CD1 4.38Å; Y850-Y918 AromaticContact CE1-CD2 3.49Å; Y850-Y918 HydrophobicContact CE1-CD2 3.49Å; Y850-Y918 VanDerWaalsContact CE1-CD2 3.49Å; Y850-Y918 HydrophobicContact CE1-CE1 4.3Å; Y850-Y918 AromaticContact CE1-CE2 3.38Å; Y850-Y918 HydrophobicContact CE1-CE2 3.38Å; Y850-Y918 AromaticContact CE1-CG 4Å; Y850-Y918 HydrophobicContact CE1-CG 4Å; Y850-Y918 AromaticContact CE1-CZ 3.79Å; Y850-Y918 HydrophobicContact CE2-CD2 4.46Å; Y850-Y918 HydrophobicContact CG-CD2 4.07Å; Y850-Y918 HydrophobicContact CG-CE2 4Å; Y850-Y918 AromaticContact CZ-CD2 3.97Å; D851-Y918 WeakPolarHBondContact OD1-CE2 3.37Å; D851-Y918 PolarHBondContact OD1-OH 3.33Å; R915-Y918 PolarHBondContact NH2-OH 3.23Å; Y918-Q922 WeakPolarHBondContact O-CG 3.39Å; Y918-Q922 PolarHBondContact O-NE2 2.93Å; Y918-H994 PolarHBondContact OH-CE1 3.4Å; Y918-H994 PolarHBondContact OH-NE2 3.08Å
919	G	75.6	Confident	83.4	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.01	29%	0.288	C	S	.	.			trans	74.2	167.6	176.2	0	0	0	0	0	114.2	N455 P917 T921	N455-G919 PolarHBondContact OD1-N 3.33Å; N455-G919 VanDerWaalsContact OD1-N 3.1Å; P917-G919 VanDerWaalsContact C-N 3.34Å; P917-G919 PolarHBondContact O-N 3.06Å; G919-T921 VanDerWaalsContact C-N 3.35Å; G919-T921 PolarHBondContact O-N 2.87Å
920	R	74	Confident	83.7	Confident	45 Å²	45	52.5 Å²	52.5	17%	0.17	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-39.7	-164.9	-69.1	178	135.4	139.3	-4.1	114.1	K355 R790 Q791 V792 D810	K355-R920 VanDerWaalsContact CE-O 3.28Å; K355-R920 WeakPolarHBondContact CE-O 3.17Å; K355-R920 PolarHBondContact NZ-O 2.82Å; R790-R920 HydrophobicContact CB-CB 4.37Å; Q791-R920 PolarHBondContact O-NH1 3.21Å; V792-R920 HydrophobicContact CG2-CG 3.63Å; D810-R920 VanDerWaalsContact CG-NH2 3.26Å; D810-R920 IonicContact OD1-CZ 3.65Å; D810-R920 VanDerWaalsContact OD1-CZ 3.29Å; D810-R920 IonicContact OD1-NH1 2.83Å; D810-R920 PolarHBondContact OD1-NH1 2.92Å; D810-R920 IonicContact OD1-NH2 2.85Å; D810-R920 PolarHBondContact OD1-NH2 3.41Å; D810-R920 IonicContact OD2-CZ 2.64Å; D810-R920 IonicContact OD2-NH1 2.74Å; D810-R920 PolarHBondContact OD2-NH1 3.34Å; D810-R920 IonicContact OD2-NH2 2.71Å
921	T	73	Confident	83.9	Confident	92 Å²	92	48.4 Å²	48.4	56%	0.564	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-10.3	-168	42.7	0	0	0	0	116	P788 G919	P788-T921 PolarHBondContact O-OG1 2.8Å; G919-T921 VanDerWaalsContact C-N 3.35Å; G919-T921 PolarHBondContact O-N 2.87Å
922	Q	76.6	Confident	84.2	Confident	90 Å²	90	43.7 Å²	43.7	42%	0.421	24%	0.237	S	C	.	.	S	Bend	trans	-67.4	144	178.7	-75.9	-169.5	28.2	0	0	112.3	K355 Y918	K355-Q922 PolarHBondContact NZ-O 2.97Å; Y918-Q922 WeakPolarHBondContact O-CG 3.39Å; Y918-Q922 PolarHBondContact O-NE2 2.93Å
923	P	80.2	Confident	84.5	Confident	93 Å²	93	44.1 Å²	44.1	60%	0.604	24%	0.239	S	C	*	.			trans	-66.8	148.7	173.2	31	-35.3	0	0	0	110.5
924	L	81.4	Confident	84.6	Confident	16 Å²	16	48 Å²	48	8%	0.084	26%	0.259	C	S	.	.	S	Bend	trans	-67.4	-43.9	178.7	-176.8	59.7	0	0	0	111.8	L352 L356 L359 Y850 T854 L857 S926	L352-L924 HydrophobicContact CD1-CD1 3.43Å; L352-L924 VanDerWaalsContact CD1-CD1 3.43Å; L352-L924 HydrophobicContact CD1-CD2 4Å; L352-L924 HydrophobicContact CD1-CG 4.35Å; L356-L924 HydrophobicContact CD2-CD2 3.41Å; L356-L924 VanDerWaalsContact CD2-CD2 3.41Å; L356-L924 HydrophobicContact CG-CD2 4.04Å; L359-L924 HydrophobicContact CD2-CD2 4.28Å; Y850-L924 HydrophobicContact CE1-CD1 4.36Å; Y850-L924 HydrophobicContact CE2-CD1 4.05Å; Y850-L924 WeakPolarHBondContact OH-CD1 3.3Å; T854-L924 HydrophobicContact CG2-CD1 3.42Å; T854-L924 VanDerWaalsContact CG2-CD1 3.42Å; T854-L924 HydrophobicContact CG2-CG 4.21Å; L857-L924 HydrophobicContact CD2-CD2 3.69Å; L857-L924 HydrophobicContact CD2-CG 3.95Å; L924-S926 PolarHBondContact O-N 3.27Å
925	I	85.6	Confident	84.8	Confident	59 Å²	59	44.4 Å²	44.4	30%	0.303	24%	0.242	S	C	.	.	S	Bend	trans	-82.5	110.4	174.6	-57	171.1	0	0	0	108.4	L359 L857 L861 M929 A930	L359-I925 HydrophobicContact CD1-CD1 4.25Å; L359-I925 HydrophobicContact CD2-CD1 4.33Å; L857-I925 HydrophobicContact CD2-CG1 4.2Å; L861-I925 HydrophobicContact CD1-CD1 3.66Å; L861-I925 HydrophobicContact CD1-CG1 4.22Å; I925-M929 HydrophobicContact CB-SD 4.28Å; I925-M929 HydrophobicContact CG1-SD 4.29Å; I925-M929 HydrophobicContact CG2-CB 4.36Å; I925-M929 HydrophobicContact CG2-CG 4.31Å; I925-M929 HydrophobicContact CG2-SD 4.2Å; I925-A930 HydrophobicContact CG2-CB 4.04Å
926	S	84.9	Confident	85.2	Confident	54 Å²	54	42.1 Å²	42.1	38%	0.378	23%	0.234	S	C	.	.			trans	-77.5	166.2	173.4	82.4	0	0	0	0	111.3	L924 Q928 M929 A930	L924-S926 PolarHBondContact O-N 3.27Å; S926-Q928 VanDerWaalsContact C-N 3.33Å; S926-Q928 PolarHBondContact O-N 2.73Å; S926-Q928 PolarHBondContact OG-N 3.12Å; S926-M929 PolarHBondContact O-N 3.11Å; S926-M929 WeakPolarHBondContact OG-CB 3.49Å; S926-M929 PolarHBondContact OG-N 2.94Å; S926-A930 WeakPolarHBondContact O-CB 3.32Å; S926-A930 PolarHBondContact O-N 3.27Å
927	R	84.1	Confident	85.5	Confident	120 Å²	120	39.1 Å²	39.1	45%	0.453	21%	0.209	S	C	.	.	H	α-helix	trans	-66.5	-34	175.1	-69.3	-165.4	-133	130.1	15.4	113	A930 K931	R927-A930 PolarHBondContact O-N 2.95Å; R927-K931 WeakPolarHBondContact O-CB 3.26Å; R927-K931 PolarHBondContact O-N 2.94Å
928	Q	86.9	Confident	85.9	Confident	26 Å²	26	43.6 Å²	43.6	12%	0.121	23%	0.231	C	C	.	.	H	α-helix	trans	-64.7	-43	173.2	177.3	68.9	46	0	0	110.5	S926 K931 N932 I993 N1059 N1063	S926-Q928 VanDerWaalsContact C-N 3.33Å; S926-Q928 PolarHBondContact O-N 2.73Å; S926-Q928 PolarHBondContact OG-N 3.12Å; Q928-K931 VanDerWaalsContact NE2-CE 3.26Å; Q928-K931 WeakPolarHBondContact O-CB 3.22Å; Q928-K931 PolarHBondContact O-N 2.67Å; Q928-K931 VanDerWaalsContact OE1-NZ 3.14Å; Q928-N932 PolarHBondContact NE2-OD1 3.48Å; Q928-N932 VanDerWaalsContact O-CG 3.23Å; Q928-N932 PolarHBondContact O-N 2.81Å; Q928-N932 PolarHBondContact O-OD1 3.08Å; Q928-I993 WeakPolarHBondContact CG-O 3.41Å; Q928-N1059 PolarHBondContact NE2-OD1 2.88Å; Q928-N1059 VanDerWaalsContact NE2-OD1 3.13Å; Q928-N1063 PolarHBondContact OE1-ND2 3.02Å; Q928-N1063 PolarHBondContact OE1-OD1 3.14Å
929	M	89.6	Confident	86.8	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.02	23%	0.231	C	C	.	.	H	α-helix	trans	-64.5	-43.2	177	-173.6	-176.9	-171.6	0	0	111.9	T854 L857 Q858 I925 S926 K931 N932 I933	T854-M929 WeakPolarHBondContact O-CE 3.49Å; L857-M929 HydrophobicContact CB-CE 3.79Å; L857-M929 HydrophobicContact CD2-CE 3.65Å; L857-M929 HydrophobicContact CG-CE 4.07Å; Q858-M929 HydrophobicContact CB-CE 3.88Å; Q858-M929 HydrophobicContact CB-CG 4.24Å; Q858-M929 HydrophobicContact CG-CG 4.11Å; Q858-M929 VanDerWaalsContact N-CE 3.28Å; I925-M929 HydrophobicContact CB-SD 4.28Å; I925-M929 HydrophobicContact CG1-SD 4.29Å; I925-M929 HydrophobicContact CG2-CB 4.36Å; I925-M929 HydrophobicContact CG2-CG 4.31Å; I925-M929 HydrophobicContact CG2-SD 4.2Å; S926-M929 PolarHBondContact O-N 3.11Å; S926-M929 WeakPolarHBondContact OG-CB 3.49Å; S926-M929 PolarHBondContact OG-N 2.94Å; M929-K931 VanDerWaalsContact C-N 3.32Å; M929-K931 PolarHBondContact O-N 3.35Å; M929-N932 PolarHBondContact O-N 3.48Å; M929-I933 HydrophobicContact CG-CD1 4.05Å; M929-I933 VanDerWaalsContact O-CG1 3.29Å; M929-I933 WeakPolarHBondContact O-CG1 3.41Å; M929-I933 PolarHBondContact O-N 2.7Å
930	A	89.9	Confident	87.8	Confident	23 Å²	23	43.7 Å²	43.7	19%	0.19	23%	0.231	C	C	.	.	H	α-helix	trans	-62.7	-37.1	173.4	0	0	0	0	0	112.3	I925 S926 R927 I934	I925-A930 HydrophobicContact CG2-CB 4.04Å; S926-A930 WeakPolarHBondContact O-CB 3.32Å; S926-A930 PolarHBondContact O-N 3.27Å; R927-A930 PolarHBondContact O-N 2.95Å; A930-I934 WeakPolarHBondContact O-CB 3.19Å; A930-I934 VanDerWaalsContact O-CG1 3.27Å; A930-I934 WeakPolarHBondContact O-CG1 3.32Å; A930-I934 PolarHBondContact O-N 2.67Å
931	K	91.2	Very high	88.7	Confident	14 Å²	14	42.5 Å²	42.5	6%	0.061	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-47	173	-170.5	-175.5	68.9	-176.1	0	111.7	R927 Q928 M929 G935 V1058 V1061 N1063 I1066	R927-K931 WeakPolarHBondContact O-CB 3.26Å; R927-K931 PolarHBondContact O-N 2.94Å; Q928-K931 VanDerWaalsContact NE2-CE 3.26Å; Q928-K931 WeakPolarHBondContact O-CB 3.22Å; Q928-K931 PolarHBondContact O-N 2.67Å; Q928-K931 VanDerWaalsContact OE1-NZ 3.14Å; M929-K931 VanDerWaalsContact C-N 3.32Å; M929-K931 PolarHBondContact O-N 3.35Å; K931-G935 WeakPolarHBondContact O-CA 3.29Å; K931-G935 PolarHBondContact O-N 3.03Å; K931-V1058 WeakPolarHBondContact CE-O 3.28Å; K931-V1058 HydrophobicContact CG-CG1 4.19Å; K931-V1058 PolarHBondContact NZ-O 2.8Å; K931-V1061 HydrophobicContact CD-CB 4.2Å; K931-V1061 HydrophobicContact CD-CG1 4.33Å; K931-V1061 WeakPolarHBondContact CD-O 3.44Å; K931-V1061 PolarHBondContact NZ-O 3.07Å; K931-N1063 WeakPolarHBondContact CD-OD1 3.32Å; K931-N1063 WeakPolarHBondContact CE-OD1 3.43Å; K931-N1063 PolarHBondContact NZ-OD1 3.39Å; K931-I1066 HydrophobicContact CB-CD1 3.49Å; K931-I1066 VanDerWaalsContact CB-CD1 3.49Å; K931-I1066 HydrophobicContact CG-CD1 4.03Å
932	N	91.6	Very high	89.7	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.011	22%	0.222	C	C	.	.	H	α-helix	trans	-60.8	-52.4	178.1	-65.5	-0	0	0	0	110.2	Q858 Q928 M929 I934 G935 H936	Q858-N932 VanDerWaalsContact CD-CB 3.48Å; Q858-N932 HydrophobicContact CG-CB 4.19Å; Q858-N932 PolarHBondContact OE1-ND2 3.36Å; Q928-N932 PolarHBondContact NE2-OD1 3.48Å; Q928-N932 VanDerWaalsContact O-CG 3.23Å; Q928-N932 PolarHBondContact O-N 2.81Å; Q928-N932 PolarHBondContact O-OD1 3.08Å; M929-N932 PolarHBondContact O-N 3.48Å; N932-I934 PolarHBondContact O-N 3Å; N932-G935 PolarHBondContact O-N 3.41Å; N932-H936 WeakPolarHBondContact O-CB 3.26Å; N932-H936 PolarHBondContact O-CD2 3.46Å; N932-H936 PolarHBondContact O-N 3.12Å
933	I	92.5	Very high	90.5	Very high	18 Å²	18	36.4 Å²	36.4	9%	0.092	21%	0.205	C	C	.	.	H	α-helix	trans	-54.5	-54.8	178.6	-66.6	161.2	0	0	0	111	Q858 L861 M929 G935 S937	Q858-I933 HydrophobicContact CG-CG1 3.9Å; L861-I933 HydrophobicContact CB-CD1 3.85Å; L861-I933 HydrophobicContact CB-CG1 4.3Å; L861-I933 HydrophobicContact CB-CG2 4.4Å; L861-I933 HydrophobicContact CD1-CD1 3.86Å; M929-I933 HydrophobicContact CG-CD1 4.05Å; M929-I933 VanDerWaalsContact O-CG1 3.29Å; M929-I933 WeakPolarHBondContact O-CG1 3.41Å; M929-I933 PolarHBondContact O-N 2.7Å; I933-G935 PolarHBondContact O-N 2.69Å; I933-S937 WeakPolarHBondContact O-CB 3.26Å; I933-S937 PolarHBondContact O-N 3.1Å; I933-S937 PolarHBondContact O-OG 2.84Å; I933-S937 VanDerWaalsContact O-OG 3.08Å
934	I	92.5	Very high	91	Very high	90 Å²	90	32 Å²	32	46%	0.462	18%	0.176	S	C	.	.	H	α-helix	trans	-65.4	-41.5	-177.4	-65.3	166.9	0	0	0	111.1	A930 N932 S937 L938	A930-I934 WeakPolarHBondContact O-CB 3.19Å; A930-I934 VanDerWaalsContact O-CG1 3.27Å; A930-I934 WeakPolarHBondContact O-CG1 3.32Å; A930-I934 PolarHBondContact O-N 2.67Å; N932-I934 PolarHBondContact O-N 3Å; I934-S937 PolarHBondContact O-N 2.93Å; I934-L938 HydrophobicContact CG2-CD1 3.83Å; I934-L938 HydrophobicContact CG2-CG 4.3Å; I934-L938 WeakPolarHBondContact O-CB 3.48Å; I934-L938 VanDerWaalsContact O-CG 3.24Å; I934-L938 WeakPolarHBondContact O-CG 3.18Å; I934-L938 PolarHBondContact O-N 2.93Å
935	G	93.3	Very high	91.4	Very high	12 Å²	12	33.9 Å²	33.9	12%	0.124	18%	0.184	C	C	.	.	H	α-helix	trans	-65.6	-39.2	-178.4	0	0	0	0	0	113.7	K931 N932 I933 Y939 W1054	K931-G935 WeakPolarHBondContact O-CA 3.29Å; K931-G935 PolarHBondContact O-N 3.03Å; N932-G935 PolarHBondContact O-N 3.41Å; I933-G935 PolarHBondContact O-N 2.69Å; G935-Y939 PolarHBondContact O-N 3.03Å; G935-W1054 PolarHBondContact O-NE1 2.89Å
936	H	94.9	Very high	91.6	Very high	3 Å²	3	35.2 Å²	35.2	1%	0.014	19%	0.188	C	C	.	.	H	α-helix	trans	-74.6	-44.5	173.8	-70.1	-62.3	0	0	0	111.7	T862 N932 L938 Y939 Q940 N989 E1051 G1055	T862-H936 HydrophobicContact CG2-CB 3.64Å; N932-H936 WeakPolarHBondContact O-CB 3.26Å; N932-H936 PolarHBondContact O-CD2 3.46Å; N932-H936 PolarHBondContact O-N 3.12Å; H936-L938 VanDerWaalsContact C-N 3.26Å; H936-L938 PolarHBondContact O-N 3.14Å; H936-Y939 PolarHBondContact O-N 3.11Å; H936-Y939 VanDerWaalsContact O-N 3.08Å; H936-Q940 PolarHBondContact O-N 3.42Å; H936-N989 PolarHBondContact CE1-ND2 3.39Å; H936-N989 VanDerWaalsContact CE1-ND2 3.26Å; H936-E1051 IonicContact CE1-OE1 3.24Å; H936-E1051 IonicContact CG-OE1 2.66Å; H936-E1051 IonicContact ND1-OE1 2.73Å; H936-E1051 PolarHBondContact ND1-OE1 3.24Å; H936-G1055 VanDerWaalsContact CE1-CA 3.42Å; H936-G1055 WeakPolarHBondContact CE1-CA 3.4Å
937	S	94.7	Very high	91.7	Very high	5 Å²	5	32.8 Å²	32.8	4%	0.035	17%	0.171	C	C	.	.	H	α-helix	trans	-58.9	-36.4	175.8	-66.9	0	0	0	0	112.7	T862 I933 I934 L941	T862-S937 WeakPolarHBondContact CG2-OG 3.22Å; T862-S937 PolarHBondContact O-OG 2.95Å; I933-S937 WeakPolarHBondContact O-CB 3.26Å; I933-S937 PolarHBondContact O-N 3.1Å; I933-S937 PolarHBondContact O-OG 2.84Å; I933-S937 VanDerWaalsContact O-OG 3.08Å; I934-S937 PolarHBondContact O-N 2.93Å; S937-L941 VanDerWaalsContact O-CB 3.27Å; S937-L941 WeakPolarHBondContact O-CB 3.21Å; S937-L941 WeakPolarHBondContact O-CD1 3.18Å; S937-L941 WeakPolarHBondContact O-CG 3.41Å; S937-L941 PolarHBondContact O-N 2.83Å
938	L	94.6	Very high	91.6	Very high	114 Å²	114	27.6 Å²	27.6	60%	0.597	15%	0.152	S	C	*	.	H	α-helix	trans	-66.8	-37.1	175.1	-76.2	170.3	0	0	0	113	I934 H936 G942	I934-L938 HydrophobicContact CG2-CD1 3.83Å; I934-L938 HydrophobicContact CG2-CG 4.3Å; I934-L938 WeakPolarHBondContact O-CB 3.48Å; I934-L938 VanDerWaalsContact O-CG 3.24Å; I934-L938 WeakPolarHBondContact O-CG 3.18Å; I934-L938 PolarHBondContact O-N 2.93Å; H936-L938 VanDerWaalsContact C-N 3.26Å; H936-L938 PolarHBondContact O-N 3.14Å; L938-G942 PolarHBondContact O-N 2.65Å
939	Y	96	Very high	91.3	Very high	37 Å²	37	31.3 Å²	31.3	15%	0.145	17%	0.168	C	C	.	.	H	α-helix	trans	-66.3	-51.7	174.8	177.2	-100.4	0	0	0	111.3	G935 H936 L941 G942 V943 M982 F1047 G1050 E1051 W1054	G935-Y939 PolarHBondContact O-N 3.03Å; H936-Y939 PolarHBondContact O-N 3.11Å; H936-Y939 VanDerWaalsContact O-N 3.08Å; Y939-L941 VanDerWaalsContact C-N 3.33Å; Y939-L941 PolarHBondContact O-N 3.03Å; Y939-G942 PolarHBondContact O-N 3.48Å; Y939-G942 VanDerWaalsContact O-N 3.1Å; Y939-V943 HydrophobicContact CD1-CG2 4.43Å; Y939-V943 HydrophobicContact CD2-CG2 4.47Å; Y939-V943 HydrophobicContact CE1-CG2 3.99Å; Y939-V943 HydrophobicContact CE2-CG2 4.03Å; Y939-V943 PolarHBondContact O-N 2.92Å; Y939-M982 HydrophobicContact CD1-SD 4.32Å; Y939-M982 HydrophobicContact CE1-CG 4.48Å; Y939-M982 HydrophobicContact CE1-SD 3.92Å; Y939-F1047 PolarHBondContact OH-O 2.9Å; Y939-G1050 WeakPolarHBondContact OH-CA 3.27Å; Y939-E1051 HydrophobicContact CD1-CB 4.44Å; Y939-E1051 HydrophobicContact CE1-CB 4.11Å; Y939-W1054 VanDerWaalsContact CB-CD1 3.45Å; Y939-W1054 HydrophobicContact CD2-CB 4.06Å; Y939-W1054 AromaticContact CD2-CD2 3.9Å; Y939-W1054 HydrophobicContact CD2-CD2 3.9Å; Y939-W1054 HydrophobicContact CD2-CE3 4.32Å; Y939-W1054 AromaticContact CD2-CG 3.77Å; Y939-W1054 HydrophobicContact CD2-CG 3.77Å; Y939-W1054 HydrophobicContact CE2-CB 4.39Å; Y939-W1054 HydrophobicContact CG-CB 4.23Å; Y939-W1054 AromaticContact CG-CD1 3.88Å; Y939-W1054 HydrophobicContact CG-CD2 4.43Å; Y939-W1054 AromaticContact CG-CG 3.93Å; Y939-W1054 HydrophobicContact CG-CG 3.93Å
940	Q	95.3	Very high	90.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.3	-40.9	179.7	-63.5	-169.9	-4.6	0	0	111.8	V866 H936 V943 I944 M982 E1051	V866-Q940 HydrophobicContact CG1-CB 4Å; V866-Q940 HydrophobicContact CG2-CB 3.81Å; H936-Q940 PolarHBondContact O-N 3.42Å; Q940-V943 PolarHBondContact O-N 2.95Å; Q940-I944 WeakPolarHBondContact O-CB 3.43Å; Q940-I944 WeakPolarHBondContact O-CG1 3.45Å; Q940-I944 PolarHBondContact O-N 3.31Å; Q940-M982 HydrophobicContact CB-SD 4.49Å; Q940-M982 HydrophobicContact CG-CB 4.23Å; Q940-M982 HydrophobicContact CG-SD 4.16Å; Q940-M982 PolarHBondContact NE2-O 3.17Å; Q940-E1051 WeakPolarHBondContact CG-OE2 3.37Å; Q940-E1051 PolarHBondContact NE2-OE2 3.15Å
941	L	94.3	Very high	90	Very high	20 Å²	20	36.3 Å²	36.3	11%	0.105	18%	0.183	C	C	.	.	H	α-helix	trans	-65.8	-39.9	173.8	-72.2	169.7	0	0	0	112.5	V866 I869 V870 S937 Y939 I944 F945	V866-L941 HydrophobicContact CG1-CD2 4.3Å; V866-L941 HydrophobicContact CG2-CG 4.44Å; I869-L941 HydrophobicContact CB-CD1 4.28Å; I869-L941 HydrophobicContact CB-CD2 3.93Å; I869-L941 HydrophobicContact CD1-CD1 3.92Å; I869-L941 HydrophobicContact CG2-CD1 3.91Å; I869-L941 HydrophobicContact CG2-CD2 3.58Å; I869-L941 HydrophobicContact CG2-CG 4.42Å; V870-L941 HydrophobicContact CG2-CD2 3.71Å; S937-L941 VanDerWaalsContact O-CB 3.27Å; S937-L941 WeakPolarHBondContact O-CB 3.21Å; S937-L941 WeakPolarHBondContact O-CD1 3.18Å; S937-L941 WeakPolarHBondContact O-CG 3.41Å; S937-L941 PolarHBondContact O-N 2.83Å; Y939-L941 VanDerWaalsContact C-N 3.33Å; Y939-L941 PolarHBondContact O-N 3.03Å; L941-I944 PolarHBondContact O-N 3.05Å; L941-F945 HydrophobicContact CB-CD2 4.3Å; L941-F945 HydrophobicContact CB-CE2 4.07Å; L941-F945 HydrophobicContact CD2-CE2 3.98Å; L941-F945 HydrophobicContact CD2-CZ 4.05Å; L941-F945 WeakPolarHBondContact O-CB 3.44Å; L941-F945 WeakPolarHBondContact O-CD2 3.26Å; L941-F945 WeakPolarHBondContact O-CG 3.36Å; L941-F945 PolarHBondContact O-N 3.08Å
942	G	93.5	Very high	88.9	Confident	43 Å²	43	38.3 Å²	38.3	44%	0.443	19%	0.194	S	C	.	.	H	α-helix	trans	-59.4	-47.7	174.6	0	0	0	0	0	112.3	L938 Y939 F946	L938-G942 PolarHBondContact O-N 2.65Å; Y939-G942 PolarHBondContact O-N 3.48Å; Y939-G942 VanDerWaalsContact O-N 3.1Å; G942-F946 WeakPolarHBondContact O-CB 3.08Å; G942-F946 PolarHBondContact O-N 2.86Å
943	V	93.6	Very high	87.6	Confident	11 Å²	11	44.9 Å²	44.9	7%	0.067	23%	0.229	C	C	.	.	H	α-helix	trans	-66.3	-45.7	176.6	174.5	0	0	0	0	111.6	Y939 Q940 F946 L947 M982 F1047	Y939-V943 HydrophobicContact CD1-CG2 4.43Å; Y939-V943 HydrophobicContact CD2-CG2 4.47Å; Y939-V943 HydrophobicContact CE1-CG2 3.99Å; Y939-V943 HydrophobicContact CE2-CG2 4.03Å; Y939-V943 PolarHBondContact O-N 2.92Å; Q940-V943 PolarHBondContact O-N 2.95Å; V943-F946 PolarHBondContact O-N 3.47Å; V943-L947 HydrophobicContact CG1-CD1 3.85Å; V943-L947 HydrophobicContact CG1-CG 4.28Å; V943-L947 WeakPolarHBondContact O-CB 3.26Å; V943-L947 VanDerWaalsContact O-CG 3.31Å; V943-L947 WeakPolarHBondContact O-CG 3.4Å; V943-L947 PolarHBondContact O-N 3.33Å; V943-M982 HydrophobicContact CB-CE 4.04Å; V943-M982 HydrophobicContact CB-SD 3.78Å; V943-M982 HydrophobicContact CG1-CE 3.74Å; V943-M982 HydrophobicContact CG1-SD 3.73Å; V943-M982 HydrophobicContact CG2-SD 4.06Å; V943-F1047 HydrophobicContact CG1-CB 3.95Å; V943-F1047 HydrophobicContact CG1-CD1 3.72Å; V943-F1047 HydrophobicContact CG1-CD2 4.27Å; V943-F1047 HydrophobicContact CG1-CE1 4.31Å; V943-F1047 HydrophobicContact CG1-CG 3.71Å; V943-F1047 HydrophobicContact CG2-CD1 3.97Å
944	I	91	Very high	86.4	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.2	-44	-179.3	-67.1	-71.8	0	0	0	111.2	V870 Q940 L941 L947 L948 I975 L979 M982	V870-I944 HydrophobicContact CB-CG2 4.5Å; V870-I944 HydrophobicContact CG1-CG2 3.92Å; V870-I944 HydrophobicContact CG2-CB 4.25Å; V870-I944 HydrophobicContact CG2-CG1 4.45Å; V870-I944 HydrophobicContact CG2-CG2 3.7Å; Q940-I944 WeakPolarHBondContact O-CB 3.43Å; Q940-I944 WeakPolarHBondContact O-CG1 3.45Å; Q940-I944 PolarHBondContact O-N 3.31Å; L941-I944 PolarHBondContact O-N 3.05Å; I944-L947 PolarHBondContact O-N 2.71Å; I944-L948 WeakPolarHBondContact O-CB 3.22Å; I944-L948 PolarHBondContact O-N 3.5Å; I944-I975 HydrophobicContact CD1-CG2 3.92Å; I944-I975 HydrophobicContact CG2-CG2 4.28Å; I944-L979 HydrophobicContact CD1-CB 3.97Å; I944-L979 HydrophobicContact CD1-CD1 4.28Å; I944-L979 HydrophobicContact CG1-CD1 4.47Å; I944-M982 HydrophobicContact CD1-CE 3.97Å; I944-M982 HydrophobicContact CG1-CE 4.03Å
945	F	89.6	Confident	84.9	Confident	57 Å²	57	44.9 Å²	44.9	25%	0.25	23%	0.228	C	C	.	.	H	α-helix	trans	-70.1	-33.4	176.5	-65	-42.7	0	0	0	112.7	I869 A873 L941 F949	I869-F945 HydrophobicContact CG2-CZ 4.26Å; A873-F945 HydrophobicContact CB-CE1 3.63Å; A873-F945 HydrophobicContact CB-CZ 3.7Å; L941-F945 HydrophobicContact CB-CD2 4.3Å; L941-F945 HydrophobicContact CB-CE2 4.07Å; L941-F945 HydrophobicContact CD2-CE2 3.98Å; L941-F945 HydrophobicContact CD2-CZ 4.05Å; L941-F945 WeakPolarHBondContact O-CB 3.44Å; L941-F945 WeakPolarHBondContact O-CD2 3.26Å; L941-F945 WeakPolarHBondContact O-CG 3.36Å; L941-F945 PolarHBondContact O-N 3.08Å; F945-F949 HydrophobicContact CB-CD2 4.35Å; F945-F949 HydrophobicContact CB-CE2 4.44Å; F945-F949 HydrophobicContact CD1-CE2 4.35Å; F945-F949 WeakPolarHBondContact O-CD2 3.34Å; F945-F949 PolarHBondContact O-N 2.82Å; F945-F949 VanDerWaalsContact O-N 3.16Å
946	F	89.6	Confident	83.4	Confident	87 Å²	87	54.3 Å²	54.3	38%	0.382	27%	0.269	S	S	.	.	H	α-helix	trans	-60.7	-49.8	170.6	174.4	-104.8	0	0	0	111	G942 V943 L948 F949 Y950 I954 F1047	G942-F946 WeakPolarHBondContact O-CB 3.08Å; G942-F946 PolarHBondContact O-N 2.86Å; V943-F946 PolarHBondContact O-N 3.47Å; F946-L948 PolarHBondContact O-N 2.81Å; F946-F949 PolarHBondContact O-N 2.8Å; F946-Y950 HydrophobicContact CD2-CD2 4.24Å; F946-Y950 WeakPolarHBondContact O-CA 3.49Å; F946-Y950 WeakPolarHBondContact O-CB 3.3Å; F946-Y950 PolarHBondContact O-N 2.92Å; F946-I954 HydrophobicContact CE1-CD1 4.07Å; F946-I954 HydrophobicContact CE2-CD1 4.05Å; F946-I954 HydrophobicContact CZ-CD1 3.34Å; F946-F1047 HydrophobicContact CD1-CZ 4.4Å; F946-F1047 HydrophobicContact CE1-CZ 4.15Å
947	L	87.4	Confident	81.7	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-62.2	-43.6	178.1	-68.3	171.5	0	0	0	111.8	V943 I944 F949 V951 I974 I975 A978 F1047	V943-L947 HydrophobicContact CG1-CD1 3.85Å; V943-L947 HydrophobicContact CG1-CG 4.28Å; V943-L947 WeakPolarHBondContact O-CB 3.26Å; V943-L947 VanDerWaalsContact O-CG 3.31Å; V943-L947 WeakPolarHBondContact O-CG 3.4Å; V943-L947 PolarHBondContact O-N 3.33Å; I944-L947 PolarHBondContact O-N 2.71Å; L947-F949 VanDerWaalsContact C-N 3.31Å; L947-F949 PolarHBondContact O-N 2.78Å; L947-V951 HydrophobicContact CB-CG2 3.96Å; L947-V951 HydrophobicContact CD2-CG2 3.51Å; L947-V951 HydrophobicContact CG-CG2 4.35Å; L947-V951 VanDerWaalsContact O-CB 3.31Å; L947-V951 WeakPolarHBondContact O-CB 3.48Å; L947-V951 VanDerWaalsContact O-CG2 3.28Å; L947-V951 WeakPolarHBondContact O-CG2 3.47Å; L947-V951 PolarHBondContact O-N 3.27Å; L947-V951 VanDerWaalsContact O-N 3.15Å; L947-I974 HydrophobicContact CD1-CG2 4.49Å; L947-I974 HydrophobicContact CD2-CG2 4.21Å; L947-I975 HydrophobicContact CB-CG1 4Å; L947-A978 HydrophobicContact CD1-CB 3.62Å; L947-F1047 HydrophobicContact CD2-CD2 4.48Å; L947-F1047 HydrophobicContact CD2-CE2 3.87Å; L947-F1047 HydrophobicContact CD2-CZ 4.39Å
948	L	81.4	Confident	79.9	Confident	11 Å²	11	59.5 Å²	59.5	6%	0.058	30%	0.297	C	S	.	.	H	α-helix	trans	-70.4	-18.4	-175.5	-175.2	146.5	0	0	0	115	L878 P882 I944 F946 H971 I975	L878-L948 HydrophobicContact CD1-CD1 3.98Å; L878-L948 HydrophobicContact CD1-CD2 4.1Å; L878-L948 HydrophobicContact CD1-CG 4.09Å; P882-L948 HydrophobicContact CB-CD1 3.66Å; P882-L948 HydrophobicContact CG-CD1 3.69Å; I944-L948 WeakPolarHBondContact O-CB 3.22Å; I944-L948 PolarHBondContact O-N 3.5Å; F946-L948 PolarHBondContact O-N 2.81Å; L948-H971 PolarHBondContact O-NE2 2.82Å; L948-I975 HydrophobicContact CB-CD1 3.97Å; L948-I975 HydrophobicContact CD1-CD1 4.48Å; L948-I975 HydrophobicContact CG-CD1 4.38Å
949	F	80.5	Confident	77.8	Confident	104 Å²	104	58.8 Å²	58.8	46%	0.456	29%	0.294	S	S	.	.	H	α-helix	trans	-119.1	-11.1	178.7	-65.1	-59.3	0	0	0	114.5	F877 F945 F946 L947	F877-F949 HydrophobicContact CB-CE1 4.43Å; F877-F949 HydrophobicContact CB-CZ 4.2Å; F877-F949 HydrophobicContact CD2-CZ 4.03Å; F877-F949 HydrophobicContact CG-CZ 4.13Å; F945-F949 HydrophobicContact CB-CD2 4.35Å; F945-F949 HydrophobicContact CB-CE2 4.44Å; F945-F949 HydrophobicContact CD1-CE2 4.35Å; F945-F949 WeakPolarHBondContact O-CD2 3.34Å; F945-F949 PolarHBondContact O-N 2.82Å; F945-F949 VanDerWaalsContact O-N 3.16Å; F946-F949 PolarHBondContact O-N 2.8Å; L947-F949 VanDerWaalsContact C-N 3.31Å; L947-F949 PolarHBondContact O-N 2.78Å
950	Y	80.5	Confident	75.8	Confident	129 Å²	129	59.3 Å²	59.3	51%	0.506	30%	0.301	S	S	.	.	H	α-helix	trans	-139.1	4.2	-172.4	-58.7	-87.3	0	0	0	115.8	F946 D952 L953	F946-Y950 HydrophobicContact CD2-CD2 4.24Å; F946-Y950 WeakPolarHBondContact O-CA 3.49Å; F946-Y950 WeakPolarHBondContact O-CB 3.3Å; F946-Y950 PolarHBondContact O-N 2.92Å; Y950-D952 VanDerWaalsContact C-N 3.31Å; Y950-D952 PolarHBondContact O-N 2.87Å; Y950-L953 HydrophobicContact CD1-CD1 4.42Å; Y950-L953 PolarHBondContact O-N 2.88Å
951	V	72.1	Confident	73.3	Confident	4 Å²	4	64.8 Å²	64.8	2%	0.024	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-55.6	-47.5	173.4	150	0	0	0	0	111.3	L947 L953 I954 M955 V957 I974	L947-V951 HydrophobicContact CB-CG2 3.96Å; L947-V951 HydrophobicContact CD2-CG2 3.51Å; L947-V951 HydrophobicContact CG-CG2 4.35Å; L947-V951 VanDerWaalsContact O-CB 3.31Å; L947-V951 WeakPolarHBondContact O-CB 3.48Å; L947-V951 VanDerWaalsContact O-CG2 3.28Å; L947-V951 WeakPolarHBondContact O-CG2 3.47Å; L947-V951 PolarHBondContact O-N 3.27Å; L947-V951 VanDerWaalsContact O-N 3.15Å; V951-L953 PolarHBondContact O-N 2.86Å; V951-I954 PolarHBondContact O-N 3Å; V951-M955 PolarHBondContact O-N 2.88Å; V951-V957 HydrophobicContact CG1-CB 4.26Å; V951-V957 HydrophobicContact CG1-CG2 4.28Å; V951-I974 HydrophobicContact CG1-CD1 4.25Å; V951-I974 HydrophobicContact CG2-CG2 4.34Å
952	D	67.5	Low	70.8	Confident	55 Å²	55	67.4 Å²	67.4	29%	0.294	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-60.8	-12.3	-174.7	-47.7	-14.1	0	0	0	113.3	Y950 N959 H971	Y950-D952 VanDerWaalsContact C-N 3.31Å; Y950-D952 PolarHBondContact O-N 2.87Å; D952-N959 WeakPolarHBondContact CB-OD1 3.42Å; D952-N959 PolarHBondContact OD2-OD1 3.06Å; D952-H971 IonicContact OD1-CD2 3.95Å; D952-H971 PolarHBondContact OD1-CD2 2.86Å
953	L	65.7	Low	68.3	Low	141 Å²	141	68.8 Å²	68.8	74%	0.738	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-102.5	-4.2	-179.1	-130.3	165	0	0	0	113	Y950 V951	Y950-L953 HydrophobicContact CD1-CD1 4.42Å; Y950-L953 PolarHBondContact O-N 2.88Å; V951-L953 PolarHBondContact O-N 2.86Å
954	I	66.4	Low	66	Low	91 Å²	91	72.2 Å²	72.2	47%	0.467	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132	-36.8	-171.6	-65.2	174.7	0	0	0	111.7	F946 V951	F946-I954 HydrophobicContact CE1-CD1 4.07Å; F946-I954 HydrophobicContact CE2-CD1 4.05Å; F946-I954 HydrophobicContact CZ-CD1 3.34Å; V951-I954 PolarHBondContact O-N 3Å
955	M	61.1	Low	64.1	Low	17 Å²	17	77.7 Å²	77.7	8%	0.084	42%	0.416	C	S	.	.	S	Bend	trans	-116.3	131	171.2	-54.7	178.8	-153.1	0	0	107	V951 V957 I974 Q1040 W1043	V951-M955 PolarHBondContact O-N 2.88Å; M955-V957 VanDerWaalsContact C-N 3.25Å; M955-V957 HydrophobicContact CB-CG2 3.83Å; M955-V957 PolarHBondContact O-N 2.75Å; M955-I974 HydrophobicContact SD-CD1 3.91Å; M955-Q1040 HydrophobicContact SD-CG 4.23Å; M955-W1043 HydrophobicContact CE-CB 3.54Å; M955-W1043 HydrophobicContact CE-CD2 4.13Å; M955-W1043 HydrophobicContact CE-CG 3.49Å; M955-W1043 VanDerWaalsContact CE-CG 3.49Å
956	E	61.2	Low	62.3	Low	210 Å²	210	78.4 Å²	78.4	98%	0.981	42%	0.42	S	S	*	.			trans	-71.1	81	-179.4	-62.7	-177.8	149.4	0	0	110.1
957	V	60.8	Low	61.1	Low	14 Å²	14	79 Å²	79	9%	0.085	42%	0.424	C	S	.	.			trans	-122.3	138.9	-173.6	178	0	0	0	0	109.1	V951 M955 N959 Q970 H971 I974	V951-V957 HydrophobicContact CG1-CB 4.26Å; V951-V957 HydrophobicContact CG1-CG2 4.28Å; M955-V957 VanDerWaalsContact C-N 3.25Å; M955-V957 HydrophobicContact CB-CG2 3.83Å; M955-V957 PolarHBondContact O-N 2.75Å; V957-N959 PolarHBondContact O-N 3.25Å; V957-Q970 HydrophobicContact CG1-CB 4.06Å; V957-H971 HydrophobicContact CG1-CB 4.11Å; V957-I974 HydrophobicContact CG2-CD1 4.28Å
958	D	55.8	Low	60.2	Low	102 Å²	102	80.1 Å²	80.1	55%	0.545	43%	0.432	S	S	.	.			trans	-56.9	119.2	-176.2	-58	-61.1	0	0	0	112.4	I963 K1034	D958-I963 HydrophobicContact CB-CD1 4.16Å; D958-K1034 IonicContact OD2-NZ 3.79Å
959	N	51.3	Low	60	Low	100 Å²	100	80.6 Å²	80.6	54%	0.535	44%	0.435	S	S	.	.			trans	-49.1	136.9	177.7	-87.1	-29.7	0	0	0	112.2	D952 V957 S961	D952-N959 WeakPolarHBondContact CB-OD1 3.42Å; D952-N959 PolarHBondContact OD2-OD1 3.06Å; V957-N959 PolarHBondContact O-N 3.25Å; N959-S961 PolarHBondContact O-N 3.28Å; N959-S961 VanDerWaalsContact O-N 3.09Å
960	V	52.4	Low	60.1	Low	48 Å²	48	77 Å²	77	29%	0.291	42%	0.419	S	S	.	.	S	Bend	trans	-62.2	-17.8	172.3	-176.6	0	0	0	0	112.2	G962	V960-G962 VanDerWaalsContact C-N 3.27Å; V960-G962 PolarHBondContact O-N 2.9Å
961	S	43.1	Very low	60.2	Low	115 Å²	115	71 Å²	71	80%	0.804	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	51.7	-175.3	-47.9	0	0	0	0	115.8	N959	N959-S961 PolarHBondContact O-N 3.28Å; N959-S961 VanDerWaalsContact O-N 3.09Å
962	G	41.6	Very low	60.8	Low	74 Å²	74	72.8 Å²	72.8	76%	0.763	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	165.9	-10.7	170	0	0	0	0	0	117.6	V960	V960-G962 VanDerWaalsContact C-N 3.27Å; V960-G962 PolarHBondContact O-N 2.9Å
963	I	41.2	Very low	61.8	Low	73 Å²	73	70.2 Å²	70.2	37%	0.374	39%	0.389	S	S	.	.	S	Bend	trans	-83.3	146.1	-175.2	-55.9	176.9	0	0	0	110.6	D958 E967	D958-I963 HydrophobicContact CB-CD1 4.16Å; I963-E967 HydrophobicContact CG2-CB 4.43Å
964	T	45.8	Very low	62.9	Low	82 Å²	82	63.6 Å²	63.6	50%	0.503	35%	0.354	S	S	.	.			trans	-63.1	147.5	178.2	49.1	0	0	0	0	112.1	H966 E967	T964-H966 PolarHBondContact O-N 3.41Å; T964-E967 PolarHBondContact O-N 3.49Å
965	I	51.4	Low	64	Low	116 Å²	116	59.2 Å²	59.2	60%	0.595	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-4.7	-161.6	-64.5	163.9	0	0	0	114.7
966	H	52.5	Low	65.4	Low	72 Å²	72	58.4 Å²	58.4	33%	0.333	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-4.8	-168.2	-74.9	-56.6	0	0	0	116.4	K401 T964	K401-H966 PolarHBondContact NZ-NE2 2.81Å; T964-H966 PolarHBondContact O-N 3.41Å
967	E	62.9	Low	67	Low	99 Å²	99	48.4 Å²	48.4	46%	0.463	28%	0.281	S	S	.	.	S	Bend	trans	-84.8	141	176	-67.6	-158.6	165.1	0	0	113	I963 T964 T969	I963-E967 HydrophobicContact CG2-CB 4.43Å; T964-E967 PolarHBondContact O-N 3.49Å; E967-T969 PolarHBondContact O-N 2.88Å
968	P	68.6	Low	68.5	Low	26 Å²	26	47.8 Å²	47.8	17%	0.169	28%	0.277	C	S	.	.			trans	-75.6	112.2	-179.1	29.5	-33.4	0	0	0	111.7	Y1029 K1034	P968-Y1029 HydrophobicContact CG-CD1 4.32Å; P968-Y1029 HydrophobicContact CG-CE1 4.2Å; P968-K1034 WeakPolarHBondContact O-CB 3.4Å
969	T	77.9	Confident	70.3	Confident	20 Å²	20	43 Å²	43	12%	0.123	25%	0.252	C	S	.	.			trans	-86.3	152.8	178.9	69.2	0	0	0	0	112.7	E967 H971 Y972 T973	E967-T969 PolarHBondContact O-N 2.88Å; T969-H971 VanDerWaalsContact C-N 3.34Å; T969-Y972 WeakPolarHBondContact OG1-CD2 3.44Å; T969-Y972 PolarHBondContact OG1-N 2.76Å; T969-T973 PolarHBondContact O-N 3.34Å; T969-T973 PolarHBondContact O-OG1 2.71Å
970	Q	82.4	Confident	72.3	Confident	28 Å²	28	38.2 Å²	38.2	13%	0.131	23%	0.226	C	C	.	.	H	α-helix	trans	-64.9	-38.9	169.6	-102.2	153.5	-32.8	0	0	111.1	V957 Y972 T973 I974 K1034 A1035 L1036	V957-Q970 HydrophobicContact CG1-CB 4.06Å; Q970-Y972 PolarHBondContact O-N 2.84Å; Q970-T973 CarbonylContact O-C 3.5Å; Q970-T973 WeakPolarHBondContact O-CA 3.46Å; Q970-T973 WeakPolarHBondContact O-CB 3.36Å; Q970-T973 PolarHBondContact O-N 2.99Å; Q970-I974 WeakPolarHBondContact O-CG1 3.46Å; Q970-I974 PolarHBondContact O-N 3.39Å; Q970-K1034 HydrophobicContact CB-CD 4.34Å; Q970-K1034 HydrophobicContact CG-CB 4.16Å; Q970-K1034 HydrophobicContact CG-CD 3.84Å; Q970-K1034 HydrophobicContact CG-CG 3.96Å; Q970-K1034 VanDerWaalsContact OE1-CE 3.3Å; Q970-A1035 PolarHBondContact NE2-O 2.88Å; Q970-L1036 HydrophobicContact CG-CD2 4.2Å
971	H	82.7	Confident	74.3	Confident	3 Å²	3	36 Å²	36	1%	0.014	21%	0.212	C	C	.	.	H	α-helix	trans	-50	-56.5	176.4	178.5	-93.7	0	0	0	113.2	L948 D952 V957 T969 T973 I974 I975	L948-H971 PolarHBondContact O-NE2 2.82Å; D952-H971 IonicContact OD1-CD2 3.95Å; D952-H971 PolarHBondContact OD1-CD2 2.86Å; V957-H971 HydrophobicContact CG1-CB 4.11Å; T969-H971 VanDerWaalsContact C-N 3.34Å; H971-T973 VanDerWaalsContact C-N 3.26Å; H971-T973 PolarHBondContact O-N 2.83Å; H971-I974 PolarHBondContact O-N 3.22Å; H971-I975 VanDerWaalsContact NE2-CD1 3.33Å; H971-I975 WeakPolarHBondContact NE2-CD1 3.35Å; H971-I975 PolarHBondContact O-N 3.1Å
972	Y	83.8	Confident	76.8	Confident	43 Å²	43	30.5 Å²	30.5	17%	0.169	17%	0.174	C	C	.	.	H	α-helix	trans	-67.7	-27.7	177.7	-65.8	-52.3	0	0	0	112.6	L878 P882 T969 Q970 I975 F976	L878-Y972 HydrophobicContact CD1-CE1 4.24Å; P882-Y972 HydrophobicContact CB-CD1 3.95Å; P882-Y972 HydrophobicContact CB-CE1 3.89Å; T969-Y972 WeakPolarHBondContact OG1-CD2 3.44Å; T969-Y972 PolarHBondContact OG1-N 2.76Å; Q970-Y972 PolarHBondContact O-N 2.84Å; Y972-I975 HydrophobicContact CD1-CD1 4.24Å; Y972-I975 PolarHBondContact O-N 3.17Å; Y972-F976 WeakPolarHBondContact O-CB 3.48Å; Y972-F976 PolarHBondContact O-N 2.98Å
973	T	89.2	Confident	79.3	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-69.7	-36.3	175.4	-50	0	0	0	0	112.1	T969 Q970 H971 N977 I1024 T1033 K1034 L1036	T969-T973 PolarHBondContact O-N 3.34Å; T969-T973 PolarHBondContact O-OG1 2.71Å; Q970-T973 CarbonylContact O-C 3.5Å; Q970-T973 WeakPolarHBondContact O-CA 3.46Å; Q970-T973 WeakPolarHBondContact O-CB 3.36Å; Q970-T973 PolarHBondContact O-N 2.99Å; H971-T973 VanDerWaalsContact C-N 3.26Å; H971-T973 PolarHBondContact O-N 2.83Å; T973-N977 VanDerWaalsContact O-CB 3.31Å; T973-N977 WeakPolarHBondContact O-CB 3.43Å; T973-N977 PolarHBondContact O-N 3.04Å; T973-I1024 HydrophobicContact CG2-CD1 3.57Å; T973-I1024 HydrophobicContact CG2-CG2 4.42Å; T973-T1033 HydrophobicContact CG2-CG2 4Å; T973-T1033 WeakPolarHBondContact OG1-CA 3.35Å; T973-K1034 WeakPolarHBondContact CG2-O 3.48Å; T973-K1034 PolarHBondContact OG1-N 3.46Å; T973-L1036 HydrophobicContact CG2-CD1 4.24Å; T973-L1036 HydrophobicContact CG2-CD2 3.99Å; T973-L1036 HydrophobicContact CG2-CG 3.93Å
974	I	89.9	Confident	81.8	Confident	2 Å²	2	23.8 Å²	23.8	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-61.9	-49.5	171.6	-67.6	165.9	0	0	0	109.9	L947 V951 M955 V957 Q970 H971 F976 N977 A978 L1036 Q1040	L947-I974 HydrophobicContact CD1-CG2 4.49Å; L947-I974 HydrophobicContact CD2-CG2 4.21Å; V951-I974 HydrophobicContact CG1-CD1 4.25Å; V951-I974 HydrophobicContact CG2-CG2 4.34Å; M955-I974 HydrophobicContact SD-CD1 3.91Å; V957-I974 HydrophobicContact CG2-CD1 4.28Å; Q970-I974 WeakPolarHBondContact O-CG1 3.46Å; Q970-I974 PolarHBondContact O-N 3.39Å; H971-I974 PolarHBondContact O-N 3.22Å; I974-F976 PolarHBondContact O-N 3.44Å; I974-N977 PolarHBondContact O-N 3.09Å; I974-A978 VanDerWaalsContact O-CB 3.27Å; I974-A978 WeakPolarHBondContact O-CB 3.44Å; I974-A978 PolarHBondContact O-N 3.4Å; I974-L1036 HydrophobicContact CG1-CD2 3.64Å; I974-Q1040 HydrophobicContact CD1-CG 4.26Å
975	I	89.1	Confident	84.2	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.7	-47	179.6	-66.4	167.4	0	0	0	111.2	I944 L947 L948 H971 Y972 L979	I944-I975 HydrophobicContact CD1-CG2 3.92Å; I944-I975 HydrophobicContact CG2-CG2 4.28Å; L947-I975 HydrophobicContact CB-CG1 4Å; L948-I975 HydrophobicContact CB-CD1 3.97Å; L948-I975 HydrophobicContact CD1-CD1 4.48Å; L948-I975 HydrophobicContact CG-CD1 4.38Å; H971-I975 VanDerWaalsContact NE2-CD1 3.33Å; H971-I975 WeakPolarHBondContact NE2-CD1 3.35Å; H971-I975 PolarHBondContact O-N 3.1Å; Y972-I975 HydrophobicContact CD1-CD1 4.24Å; Y972-I975 PolarHBondContact O-N 3.17Å; I975-L979 WeakPolarHBondContact O-CB 3.29Å; I975-L979 PolarHBondContact O-N 2.86Å
976	F	90.6	Very high	86.1	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.3	-46.3	176.3	167.7	-118.8	0	0	0	112.1	L883 Q887 W890 V891 Y972 I974 L979 V980 I1023 I1024 T1033	L883-F976 HydrophobicContact CD2-CB 4.08Å; L883-F976 HydrophobicContact CD2-CD2 4.33Å; Q887-F976 HydrophobicContact CB-CD2 3.77Å; Q887-F976 HydrophobicContact CB-CE2 3.67Å; Q887-F976 HydrophobicContact CB-CG 4.45Å; Q887-F976 HydrophobicContact CB-CZ 4.3Å; Q887-F976 HydrophobicContact CG-CD1 4.42Å; Q887-F976 HydrophobicContact CG-CD2 4.02Å; Q887-F976 HydrophobicContact CG-CE1 4.4Å; Q887-F976 HydrophobicContact CG-CE2 3.99Å; Q887-F976 HydrophobicContact CG-CG 4.24Å; Q887-F976 HydrophobicContact CG-CZ 4.18Å; W890-F976 AromaticContact CD1-CE2 3.99Å; W890-F976 AromaticContact CD1-CZ 3.65Å; V891-F976 HydrophobicContact CG2-CE2 4.26Å; Y972-F976 WeakPolarHBondContact O-CB 3.48Å; Y972-F976 PolarHBondContact O-N 2.98Å; I974-F976 PolarHBondContact O-N 3.44Å; F976-L979 PolarHBondContact O-N 2.81Å; F976-V980 HydrophobicContact CD2-CG2 4.2Å; F976-V980 HydrophobicContact CE2-CG2 3.83Å; F976-V980 HydrophobicContact CZ-CG2 4.3Å; F976-V980 WeakPolarHBondContact O-CG2 3.38Å; F976-V980 PolarHBondContact O-N 2.85Å; F976-V980 VanDerWaalsContact O-N 3.1Å; F976-I1023 HydrophobicContact CE1-CG2 4.16Å; F976-I1023 HydrophobicContact CZ-CG2 4.47Å; F976-I1024 HydrophobicContact CD1-CD1 3.73Å; F976-I1024 HydrophobicContact CE1-CD1 3.87Å; F976-T1033 HydrophobicContact CD1-CG2 3.87Å; F976-T1033 HydrophobicContact CE1-CG2 3.92Å
977	N	93.6	Very high	88.1	Confident	0 Å²	0	12 Å²	12	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-68.9	-42.5	-178.8	-160.4	35	0	0	0	112.3	T973 I974 L979 V980 L981 Q1020 I1024 L1036 W1041	T973-N977 VanDerWaalsContact O-CB 3.31Å; T973-N977 WeakPolarHBondContact O-CB 3.43Å; T973-N977 PolarHBondContact O-N 3.04Å; I974-N977 PolarHBondContact O-N 3.09Å; N977-L979 VanDerWaalsContact C-N 3.3Å; N977-L979 PolarHBondContact O-N 3.05Å; N977-V980 PolarHBondContact O-N 2.94Å; N977-L981 WeakPolarHBondContact O-CG 3.43Å; N977-L981 PolarHBondContact O-N 2.96Å; N977-Q1020 WeakPolarHBondContact OD1-CG 3.34Å; N977-Q1020 PolarHBondContact OD1-NE2 2.84Å; N977-I1024 HydrophobicContact CB-CD1 3.76Å; N977-I1024 HydrophobicContact CB-CG1 4.28Å; N977-L1036 HydrophobicContact CB-CD1 3.9Å; N977-W1041 WeakPolarHBondContact ND2-CH2 3.38Å; N977-W1041 VanDerWaalsContact ND2-CZ3 3.26Å; N977-W1041 WeakPolarHBondContact ND2-CZ3 3.47Å
978	A	93.3	Very high	89.5	Confident	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-59.3	-40.3	174.5	0	0	0	0	0	111.6	L947 I974 L981 M982	L947-A978 HydrophobicContact CD1-CB 3.62Å; I974-A978 VanDerWaalsContact O-CB 3.27Å; I974-A978 WeakPolarHBondContact O-CB 3.44Å; I974-A978 PolarHBondContact O-N 3.4Å; A978-L981 PolarHBondContact O-N 3.43Å; A978-M982 HydrophobicContact CB-CE 4.37Å; A978-M982 WeakPolarHBondContact O-CB 3.42Å; A978-M982 WeakPolarHBondContact O-CE 3.05Å; A978-M982 VanDerWaalsContact O-CG 3.31Å; A978-M982 WeakPolarHBondContact O-CG 3.17Å; A978-M982 PolarHBondContact O-N 3Å
979	L	92.8	Very high	90.6	Very high	2 Å²	2	7.4 Å²	7.4	1%	0.01	4%	0.035	C	C	.	.	H	α-helix	trans	-63.4	-45.4	175.3	-174.8	60.1	0	0	0	112.5	V866 L883 I944 I975 F976 N977 T983	V866-L979 HydrophobicContact CG1-CD1 3.99Å; L883-L979 HydrophobicContact CD1-CD2 3.55Å; L883-L979 HydrophobicContact CD2-CD2 4.32Å; I944-L979 HydrophobicContact CD1-CB 3.97Å; I944-L979 HydrophobicContact CD1-CD1 4.28Å; I944-L979 HydrophobicContact CG1-CD1 4.47Å; I975-L979 WeakPolarHBondContact O-CB 3.29Å; I975-L979 PolarHBondContact O-N 2.86Å; F976-L979 PolarHBondContact O-N 2.81Å; N977-L979 VanDerWaalsContact C-N 3.3Å; N977-L979 PolarHBondContact O-N 3.05Å; L979-T983 HydrophobicContact CD1-CG2 4.38Å; L979-T983 WeakPolarHBondContact O-CB 3.33Å; L979-T983 WeakPolarHBondContact O-CG2 3.38Å; L979-T983 PolarHBondContact O-N 2.9Å; L979-T983 PolarHBondContact O-OG1 3.03Å
980	V	93.9	Very high	91.2	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-67	-37.4	178.3	178.3	0	0	0	0	111.4	V891 I894 F976 N977 T983 L984 Q1020	V891-V980 HydrophobicContact CG2-CG2 3.98Å; I894-V980 HydrophobicContact CD1-CG1 3.85Å; F976-V980 HydrophobicContact CD2-CG2 4.2Å; F976-V980 HydrophobicContact CE2-CG2 3.83Å; F976-V980 HydrophobicContact CZ-CG2 4.3Å; F976-V980 WeakPolarHBondContact O-CG2 3.38Å; F976-V980 PolarHBondContact O-N 2.85Å; F976-V980 VanDerWaalsContact O-N 3.1Å; N977-V980 PolarHBondContact O-N 2.94Å; V980-T983 WeakPolarHBondContact CA-OG1 3.26Å; V980-T983 PolarHBondContact O-OG1 3.45Å; V980-L984 HydrophobicContact CG1-CD1 4.07Å; V980-L984 WeakPolarHBondContact O-CB 3.45Å; V980-L984 WeakPolarHBondContact O-CG 3.43Å; V980-L984 PolarHBondContact O-N 2.91Å; V980-Q1020 HydrophobicContact CB-CG 4.18Å; V980-Q1020 HydrophobicContact CG1-CB 4.2Å; V980-Q1020 HydrophobicContact CG1-CG 3.73Å
981	L	94.8	Very high	91.6	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-70.7	-46.3	176	-66.3	-175.3	0	0	0	112.3	N977 A978 T983 L984 F985 F1017 W1041 C1044	N977-L981 WeakPolarHBondContact O-CG 3.43Å; N977-L981 PolarHBondContact O-N 2.96Å; A978-L981 PolarHBondContact O-N 3.43Å; L981-T983 VanDerWaalsContact C-N 3.27Å; L981-T983 PolarHBondContact O-N 2.82Å; L981-L984 HydrophobicContact CD2-CD1 4.39Å; L981-L984 PolarHBondContact O-N 3.23Å; L981-F985 WeakPolarHBondContact O-CD2 3.41Å; L981-F985 PolarHBondContact O-N 2.87Å; L981-F1017 HydrophobicContact CD2-CD2 3.73Å; L981-F1017 HydrophobicContact CD2-CE2 3.61Å; L981-W1041 HydrophobicContact CD1-CE3 4.33Å; L981-W1041 HydrophobicContact CD1-CZ3 4.02Å; L981-C1044 HydrophobicContact CD1-CB 3.86Å
982	M	95.3	Very high	91.9	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-58.5	-38.8	175	-74.7	-173.9	-69.2	0	0	112	Y939 Q940 V943 I944 A978 F985 N986 F1047	Y939-M982 HydrophobicContact CD1-SD 4.32Å; Y939-M982 HydrophobicContact CE1-CG 4.48Å; Y939-M982 HydrophobicContact CE1-SD 3.92Å; Q940-M982 HydrophobicContact CB-SD 4.49Å; Q940-M982 HydrophobicContact CG-CB 4.23Å; Q940-M982 HydrophobicContact CG-SD 4.16Å; Q940-M982 PolarHBondContact NE2-O 3.17Å; V943-M982 HydrophobicContact CB-CE 4.04Å; V943-M982 HydrophobicContact CB-SD 3.78Å; V943-M982 HydrophobicContact CG1-CE 3.74Å; V943-M982 HydrophobicContact CG1-SD 3.73Å; V943-M982 HydrophobicContact CG2-SD 4.06Å; I944-M982 HydrophobicContact CD1-CE 3.97Å; I944-M982 HydrophobicContact CG1-CE 4.03Å; A978-M982 HydrophobicContact CB-CE 4.37Å; A978-M982 WeakPolarHBondContact O-CB 3.42Å; A978-M982 WeakPolarHBondContact O-CE 3.05Å; A978-M982 VanDerWaalsContact O-CG 3.31Å; A978-M982 WeakPolarHBondContact O-CG 3.17Å; A978-M982 PolarHBondContact O-N 3Å; M982-F985 PolarHBondContact O-N 3.34Å; M982-N986 VanDerWaalsContact O-CB 3.28Å; M982-N986 WeakPolarHBondContact O-CB 3.23Å; M982-N986 PolarHBondContact O-N 3.2Å; M982-F1047 HydrophobicContact CG-CB 4.46Å; M982-F1047 HydrophobicContact SD-CB 4.44Å
983	T	94	Very high	91.9	Very high	4 Å²	4	5.1 Å²	5.1	3%	0.025	2%	0.024	C	C	.	.	H	α-helix	trans	-68.5	-45.6	174.4	51.7	0	0	0	0	112	F859 V863 L979 V980 L981 F985 N986 E987	F859-T983 WeakPolarHBondContact CE2-O 3.49Å; V863-T983 HydrophobicContact CB-CG2 4.37Å; V863-T983 HydrophobicContact CG1-CG2 3.81Å; V863-T983 HydrophobicContact CG2-CG2 3.71Å; L979-T983 HydrophobicContact CD1-CG2 4.38Å; L979-T983 WeakPolarHBondContact O-CB 3.33Å; L979-T983 WeakPolarHBondContact O-CG2 3.38Å; L979-T983 PolarHBondContact O-N 2.9Å; L979-T983 PolarHBondContact O-OG1 3.03Å; V980-T983 WeakPolarHBondContact CA-OG1 3.26Å; V980-T983 PolarHBondContact O-OG1 3.45Å; L981-T983 VanDerWaalsContact C-N 3.27Å; L981-T983 PolarHBondContact O-N 2.82Å; T983-F985 VanDerWaalsContact C-N 3.27Å; T983-F985 PolarHBondContact O-N 2.78Å; T983-N986 PolarHBondContact O-N 2.76Å; T983-N986 VanDerWaalsContact O-N 3.15Å; T983-E987 PolarHBondContact O-N 3.39Å
984	L	94	Very high	91.5	Very high	2 Å²	2	9.5 Å²	9.5	1%	0.01	4%	0.044	C	C	.	.	H	α-helix	trans	-57.5	-34.8	173.7	-82.2	169.7	0	0	0	113.6	V980 L981 E987 W1013 T1016 F1017	V980-L984 HydrophobicContact CG1-CD1 4.07Å; V980-L984 WeakPolarHBondContact O-CB 3.45Å; V980-L984 WeakPolarHBondContact O-CG 3.43Å; V980-L984 PolarHBondContact O-N 2.91Å; L981-L984 HydrophobicContact CD2-CD1 4.39Å; L981-L984 PolarHBondContact O-N 3.23Å; L984-E987 WeakPolarHBondContact O-CB 3.19Å; L984-W1013 HydrophobicContact CD2-CG 4.41Å; L984-W1013 PolarHBondContact O-NE1 2.68Å; L984-T1016 HydrophobicContact CD1-CG2 4.29Å; L984-T1016 HydrophobicContact CD2-CG2 3.87Å; L984-T1016 HydrophobicContact CG-CG2 4.47Å; L984-F1017 HydrophobicContact CD1-CB 4.39Å
985	F	94.7	Very high	90.8	Very high	19 Å²	19	10.7 Å²	10.7	8%	0.083	6%	0.057	C	C	.	.	H	α-helix	trans	-80.2	-33.9	175.3	-76.6	-67.6	0	0	0	113	L981 M982 T983 E987 F988 W1013 L1045 G1048 V1049 E1051 L1052	L981-F985 WeakPolarHBondContact O-CD2 3.41Å; L981-F985 PolarHBondContact O-N 2.87Å; M982-F985 PolarHBondContact O-N 3.34Å; T983-F985 VanDerWaalsContact C-N 3.27Å; T983-F985 PolarHBondContact O-N 2.78Å; F985-E987 PolarHBondContact O-N 2.72Å; F985-F988 HydrophobicContact CD1-CD2 4.37Å; F985-F988 HydrophobicContact CD1-CE2 4.44Å; F985-F988 PolarHBondContact O-N 3.18Å; F985-W1013 HydrophobicContact CD1-CZ2 4.39Å; F985-W1013 HydrophobicContact CE1-CH2 4.42Å; F985-W1013 AromaticContact CE1-CZ2 3.93Å; F985-W1013 HydrophobicContact CE1-CZ2 3.93Å; F985-W1013 HydrophobicContact CZ-CH2 4.35Å; F985-W1013 HydrophobicContact CZ-CZ2 4.04Å; F985-L1045 HydrophobicContact CE2-CD1 3.83Å; F985-L1045 HydrophobicContact CZ-CD1 3.9Å; F985-G1048 WeakPolarHBondContact CB-O 3.44Å; F985-G1048 VanDerWaalsContact CD2-CA 3.49Å; F985-G1048 WeakPolarHBondContact CD2-O 3.08Å; F985-G1048 VanDerWaalsContact CG-O 3.32Å; F985-G1048 WeakPolarHBondContact CG-O 3.35Å; F985-V1049 HydrophobicContact CE1-CG2 4.2Å; F985-V1049 HydrophobicContact CE2-CG2 4.16Å; F985-V1049 HydrophobicContact CZ-CG2 3.86Å; F985-E1051 HydrophobicContact CB-CB 4.31Å; F985-L1052 HydrophobicContact CB-CD2 4.24Å; F985-L1052 HydrophobicContact CB-CG 4.2Å; F985-L1052 HydrophobicContact CD1-CD1 3.73Å; F985-L1052 HydrophobicContact CD1-CD2 4.27Å; F985-L1052 HydrophobicContact CD1-CG 3.98Å; F985-L1052 HydrophobicContact CE1-CD1 4.21Å; F985-L1052 HydrophobicContact CG-CG 4.43Å; F985-L1052 WeakPolarHBondContact O-CD2 3.46Å
986	N	93.3	Very high	90.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-61.5	-26.8	170.8	-170.9	23.6	0	0	0	112.4	T862 M982 T983 F988 N989 A990 E1051	T862-N986 WeakPolarHBondContact CG2-ND2 3.5Å; M982-N986 VanDerWaalsContact O-CB 3.28Å; M982-N986 WeakPolarHBondContact O-CB 3.23Å; M982-N986 PolarHBondContact O-N 3.2Å; T983-N986 PolarHBondContact O-N 2.76Å; T983-N986 VanDerWaalsContact O-N 3.15Å; N986-F988 PolarHBondContact O-N 3.21Å; N986-N989 WeakPolarHBondContact O-CB 3.26Å; N986-N989 PolarHBondContact O-N 2.77Å; N986-A990 WeakPolarHBondContact O-CB 3.44Å; N986-A990 PolarHBondContact O-N 2.65Å; N986-E1051 HydrophobicContact CB-CG 3.88Å
987	E	92.7	Very high	89.9	Confident	5 Å²	5	21.6 Å²	21.6	2%	0.023	10%	0.101	C	C	.	.	H	α-helix	trans	-57.6	-36.5	175.5	-152.1	-166.4	169.1	0	0	112.3	F859 A899 A902 L903 T983 L984 F985 A990 R991 F1009	F859-E987 HydrophobicContact CD2-CB 4.19Å; F859-E987 HydrophobicContact CD2-CG 4.18Å; F859-E987 HydrophobicContact CE2-CB 3.79Å; F859-E987 HydrophobicContact CE2-CG 3.97Å; F859-E987 HydrophobicContact CZ-CB 4.36Å; F859-E987 HydrophobicContact CZ-CG 4.21Å; A899-E987 HydrophobicContact CB-CG 4.4Å; A902-E987 VanDerWaalsContact CB-OE1 3.32Å; A902-E987 WeakPolarHBondContact CB-OE1 3.48Å; L903-E987 HydrophobicContact CD1-CG 4.17Å; L903-E987 HydrophobicContact CD2-CG 4.39Å; L903-E987 HydrophobicContact CG-CG 4.37Å; T983-E987 PolarHBondContact O-N 3.39Å; L984-E987 WeakPolarHBondContact O-CB 3.19Å; F985-E987 PolarHBondContact O-N 2.72Å; E987-A990 PolarHBondContact O-N 3.02Å; E987-R991 PolarHBondContact O-N 2.83Å; E987-F1009 HydrophobicContact CB-CZ 4.36Å; E987-F1009 HydrophobicContact CG-CE2 3.83Å; E987-F1009 HydrophobicContact CG-CZ 4.11Å; E987-F1009 WeakPolarHBondContact OE1-CE2 3.47Å
988	F	92.6	Very high	89.5	Confident	21 Å²	21	26.2 Å²	26.2	9%	0.092	13%	0.125	C	C	.	.	H	α-helix	trans	-66.8	-42	172.9	-71	-81.6	0	0	0	112.5	F985 N986 A990 R991 F1000 L1003 F1009 W1013 L1052	F985-F988 HydrophobicContact CD1-CD2 4.37Å; F985-F988 HydrophobicContact CD1-CE2 4.44Å; F985-F988 PolarHBondContact O-N 3.18Å; N986-F988 PolarHBondContact O-N 3.21Å; F988-A990 VanDerWaalsContact C-N 3.32Å; F988-R991 PolarHBondContact O-N 3.3Å; F988-F1000 HydrophobicContact CD1-CD1 4.4Å; F988-F1000 HydrophobicContact CD1-CE1 4.22Å; F988-F1000 HydrophobicContact CE1-CE1 4.41Å; F988-L1003 HydrophobicContact CE1-CD1 4.02Å; F988-L1003 HydrophobicContact CE1-CD2 3.93Å; F988-F1009 AromaticContact CD1-CE1 3.93Å; F988-F1009 HydrophobicContact CD1-CE1 3.93Å; F988-F1009 HydrophobicContact CD1-CZ 4.22Å; F988-F1009 AromaticContact CE1-CE1 3.66Å; F988-F1009 HydrophobicContact CE1-CE1 3.66Å; F988-F1009 HydrophobicContact CE1-CZ 4.35Å; F988-F1009 HydrophobicContact CZ-CE1 4.11Å; F988-W1013 AromaticContact CE2-CD1 3.88Å; F988-W1013 HydrophobicContact CE2-CD2 4.13Å; F988-W1013 AromaticContact CE2-CE2 3.59Å; F988-W1013 HydrophobicContact CE2-CG 4.32Å; F988-W1013 HydrophobicContact CE2-CZ2 4.02Å; F988-W1013 AromaticContact CE2-NE1 3.37Å; F988-W1013 HydrophobicContact CZ-CD2 4.24Å; F988-W1013 HydrophobicContact CZ-CG 4.36Å; F988-L1052 HydrophobicContact CB-CD2 3.91Å; F988-L1052 HydrophobicContact CD2-CD2 4.4Å; F988-L1052 HydrophobicContact CG-CD2 4.5Å
989	N	92	Very high	89.1	Confident	7 Å²	7	26.5 Å²	26.5	4%	0.037	13%	0.127	C	C	.	.	H	α-helix	trans	-63	-40.4	176.1	-71.1	-32.7	0	0	0	111.1	H936 N986 R991 K992 E1051	H936-N989 PolarHBondContact CE1-ND2 3.39Å; H936-N989 VanDerWaalsContact CE1-ND2 3.26Å; N986-N989 WeakPolarHBondContact O-CB 3.26Å; N986-N989 PolarHBondContact O-N 2.77Å; N989-R991 PolarHBondContact O-N 3.45Å; N989-K992 PolarHBondContact O-N 2.87Å; N989-K992 VanDerWaalsContact O-N 3.09Å; N989-E1051 PolarHBondContact ND2-O 3.06Å
990	A	91.4	Very high	88.7	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.3	-22.5	-178.7	0	0	0	0	0	114.4	K855 F859 N986 E987 F988 K992	K855-A990 WeakPolarHBondContact CB-O 3.41Å; K855-A990 WeakPolarHBondContact CG-O 3.47Å; F859-A990 HydrophobicContact CB-CB 3.64Å; F859-A990 HydrophobicContact CD2-CB 4.22Å; F859-A990 HydrophobicContact CG-CB 4.37Å; N986-A990 WeakPolarHBondContact O-CB 3.44Å; N986-A990 PolarHBondContact O-N 2.65Å; E987-A990 PolarHBondContact O-N 3.02Å; F988-A990 VanDerWaalsContact C-N 3.32Å; A990-K992 PolarHBondContact O-N 3.12Å
991	R	90.2	Very high	88.2	Confident	5 Å²	5	34.5 Å²	34.5	2%	0.019	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.7	172.6	-71.7	178.6	59.2	-125.5	-3.2	113.5	K855 L903 E906 E987 F988 N989 V999 S1001 F1009	K855-R991 WeakPolarHBondContact CD-O 3.49Å; L903-R991 HydrophobicContact CD2-CG 3.5Å; E906-R991 IonicContact OE1-CZ 2.94Å; E906-R991 VanDerWaalsContact OE1-CZ 3.23Å; E906-R991 IonicContact OE1-NE 3.64Å; E906-R991 PolarHBondContact OE1-NE 3.06Å; E906-R991 IonicContact OE1-NH2 2.3Å; E906-R991 PolarHBondContact OE1-NH2 3.22Å; E987-R991 PolarHBondContact O-N 2.83Å; F988-R991 PolarHBondContact O-N 3.3Å; N989-R991 PolarHBondContact O-N 3.45Å; R991-V999 PolarHBondContact NH1-O 2.8Å; R991-S1001 PolarHBondContact NH2-O 2.87Å; R991-F1009 HydrophobicContact CG-CE2 4.16Å
992	K	87.8	Confident	87.4	Confident	27 Å²	27	35.5 Å²	35.5	12%	0.117	18%	0.18	C	C	.	.			trans	-116.7	88.5	-174	-63.2	-53.2	-166	172.3	0	113.4	N989 A990 Q996 N998 V999	N989-K992 PolarHBondContact O-N 2.87Å; N989-K992 VanDerWaalsContact O-N 3.09Å; A990-K992 PolarHBondContact O-N 3.12Å; K992-Q996 HydrophobicContact CB-CB 4.37Å; K992-Q996 HydrophobicContact CD-CB 4.13Å; K992-Q996 HydrophobicContact CG-CB 4.38Å; K992-N998 VanDerWaalsContact CE-O 3.24Å; K992-N998 WeakPolarHBondContact CE-O 3.46Å; K992-V999 HydrophobicContact CB-CG1 4.35Å; K992-V999 HydrophobicContact CG-CB 4.46Å; K992-V999 HydrophobicContact CG-CG1 4.04Å
993	I	85.7	Confident	86.8	Confident	13 Å²	13	37.2 Å²	37.2	7%	0.067	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-23.4	-175.6	47.5	167.6	0	0	0	115.9	D851 T854 K855 Q928	D851-I993 HydrophobicContact CB-CD1 3.93Å; T854-I993 WeakPolarHBondContact OG1-CD1 3.4Å; K855-I993 HydrophobicContact CG-CD1 4.34Å; K855-I993 HydrophobicContact CG-CG1 4.27Å; K855-I993 HydrophobicContact CG-CG2 3.93Å; Q928-I993 WeakPolarHBondContact CG-O 3.41Å
994	H	80.8	Confident	86.4	Confident	93 Å²	93	44 Å²	44	43%	0.431	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	19	-176.7	-55.3	97.7	0	0	0	114.9	D851 R915 Y918	D851-H994 IonicContact OD1-CE1 2.75Å; D851-H994 IonicContact OD2-CE1 2.99Å; D851-H994 PolarHBondContact OD2-CE1 3.35Å; R915-H994 PolarHBondContact NH1-CE1 3Å; Y918-H994 PolarHBondContact OH-CE1 3.4Å; Y918-H994 PolarHBondContact OH-NE2 3.08Å
995	G	74.7	Confident	85.8	Confident	27 Å²	27	50.2 Å²	50.2	28%	0.278	24%	0.243	S	C	.	.			trans	76.7	17.5	-178.5	0	0	0	0	0	115	R997 N1059	G995-R997 PolarHBondContact O-N 2.77Å; G995-N1059 WeakPolarHBondContact CA-OD1 3.45Å
996	Q	80.4	Confident	85.4	Confident	67 Å²	67	49.7 Å²	49.7	31%	0.313	24%	0.241	S	C	.	.			trans	-65.9	114.5	171.8	-66.3	-171.5	-14	0	0	110	E911 K992 N998	E911-Q996 PolarHBondContact OE2-NE2 3.44Å; K992-Q996 HydrophobicContact CB-CB 4.37Å; K992-Q996 HydrophobicContact CD-CB 4.13Å; K992-Q996 HydrophobicContact CG-CB 4.38Å; Q996-N998 PolarHBondContact O-N 2.76Å
997	R	81	Confident	85.1	Confident	161 Å²	161	53.4 Å²	53.4	61%	0.608	27%	0.265	S	S	*	.	S	Bend	trans	-62.1	-38	-177.6	-70.9	-172.8	-179.9	-176.7	0.1	114.1	G995 V999 Q1056	G995-R997 PolarHBondContact O-N 2.77Å; R997-V999 PolarHBondContact O-N 2.6Å; R997-Q1056 PolarHBondContact O-NE2 3.2Å; R997-Q1056 PolarHBondContact O-OE1 2.91Å
998	N	85.2	Confident	84.8	Confident	97 Å²	97	56.1 Å²	56.1	52%	0.519	28%	0.279	S	S	.	.			trans	-81	90.4	-176.6	-171.8	-15.7	0	0	0	111.9	K992 Q996 F1000 S1001	K992-N998 VanDerWaalsContact CE-O 3.24Å; K992-N998 WeakPolarHBondContact CE-O 3.46Å; Q996-N998 PolarHBondContact O-N 2.76Å; N998-F1000 VanDerWaalsContact C-N 3.34Å; N998-F1000 PolarHBondContact O-N 3.34Å; N998-F1000 PolarHBondContact OD1-N 2.68Å; N998-S1001 WeakPolarHBondContact O-CB 3.36Å; N998-S1001 PolarHBondContact O-N 2.87Å; N998-S1001 PolarHBondContact OD1-N 2.89Å
999	V	84.3	Confident	84.8	Confident	6 Å²	6	55.1 Å²	55.1	4%	0.036	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-29.2	176.8	-71.2	0	0	0	0	114.1	R991 K992 R997 S1001	R991-V999 PolarHBondContact NH1-O 2.8Å; K992-V999 HydrophobicContact CB-CG1 4.35Å; K992-V999 HydrophobicContact CG-CB 4.46Å; K992-V999 HydrophobicContact CG-CG1 4.04Å; R997-V999 PolarHBondContact O-N 2.6Å; V999-S1001 VanDerWaalsContact C-N 3.34Å
1000	F	85.2	Confident	84.8	Confident	115 Å²	115	58.5 Å²	58.5	50%	0.504	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-16.8	178.9	-57.6	-65.3	0	0	0	113.4	F988 N998 G1002 L1003 L1052	F988-F1000 HydrophobicContact CD1-CD1 4.4Å; F988-F1000 HydrophobicContact CD1-CE1 4.22Å; F988-F1000 HydrophobicContact CE1-CE1 4.41Å; N998-F1000 VanDerWaalsContact C-N 3.34Å; N998-F1000 PolarHBondContact O-N 3.34Å; N998-F1000 PolarHBondContact OD1-N 2.68Å; F1000-G1002 PolarHBondContact O-N 3.04Å; F1000-L1003 HydrophobicContact CD1-CD2 4.4Å; F1000-L1003 VanDerWaalsContact O-CB 3.25Å; F1000-L1003 WeakPolarHBondContact O-CB 3.39Å; F1000-L1003 PolarHBondContact O-N 2.83Å; F1000-L1052 HydrophobicContact CZ-CD1 4.28Å
1001	S	82.2	Confident	84.8	Confident	55 Å²	55	63.3 Å²	63.3	39%	0.385	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	121.6	178.2	-176.3	0	0	0	0	111.9	R991 N998 V999	R991-S1001 PolarHBondContact NH2-O 2.87Å; N998-S1001 WeakPolarHBondContact O-CB 3.36Å; N998-S1001 PolarHBondContact O-N 2.87Å; N998-S1001 PolarHBondContact OD1-N 2.89Å; V999-S1001 VanDerWaalsContact C-N 3.34Å
1002	G	77.5	Confident	84.9	Confident	22 Å²	22	63.8 Å²	63.8	23%	0.227	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	1.8	-179.8	0	0	0	0	0	116.2	F1000 H1004 R1005	F1000-G1002 PolarHBondContact O-N 3.04Å; G1002-H1004 VanDerWaalsContact C-N 3.29Å; G1002-H1004 PolarHBondContact O-N 3.36Å; G1002-R1005 WeakPolarHBondContact O-CB 2.97Å; G1002-R1005 PolarHBondContact O-N 3.49Å
1003	L	83.6	Confident	85.1	Confident	36 Å²	36	64.5 Å²	64.5	19%	0.188	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-52	-44.2	-178	179.5	63	0	0	0	112.8	F988 F1000 R1005 N1006 F1009 I1010	F988-L1003 HydrophobicContact CE1-CD1 4.02Å; F988-L1003 HydrophobicContact CE1-CD2 3.93Å; F1000-L1003 HydrophobicContact CD1-CD2 4.4Å; F1000-L1003 VanDerWaalsContact O-CB 3.25Å; F1000-L1003 WeakPolarHBondContact O-CB 3.39Å; F1000-L1003 PolarHBondContact O-N 2.83Å; L1003-R1005 PolarHBondContact O-N 2.77Å; L1003-N1006 PolarHBondContact O-N 2.94Å; L1003-N1006 VanDerWaalsContact O-N 3.1Å; L1003-F1009 HydrophobicContact CD1-CD1 3.56Å; L1003-F1009 HydrophobicContact CD1-CE1 3.84Å; L1003-I1010 HydrophobicContact CD1-CD1 4.49Å; L1003-I1010 HydrophobicContact CD1-CG1 3.94Å; L1003-I1010 HydrophobicContact CG-CD1 4.11Å; L1003-I1010 HydrophobicContact CG-CG1 4.08Å
1004	H	84.3	Confident	85.5	Confident	145 Å²	145	69.9 Å²	69.9	67%	0.671	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-59.9	-15.7	178.6	64.4	-105.4	0	0	0	114.8	G1002	G1002-H1004 VanDerWaalsContact C-N 3.29Å; G1002-H1004 PolarHBondContact O-N 3.36Å
1005	R	82.6	Confident	86.1	Confident	134 Å²	134	68.6 Å²	68.6	51%	0.506	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-82.7	-16.5	178.8	-58.8	-170.7	178.8	-175.5	-1.6	113.2	Q907 G1002 L1003 P1007	Q907-R1005 PolarHBondContact NE2-O 3.31Å; Q907-R1005 VanDerWaalsContact NE2-O 3.17Å; G1002-R1005 WeakPolarHBondContact O-CB 2.97Å; G1002-R1005 PolarHBondContact O-N 3.49Å; L1003-R1005 PolarHBondContact O-N 2.77Å; R1005-P1007 WeakPolarHBondContact O-CD 3.28Å
1006	N	85.1	Confident	86.9	Confident	8 Å²	8	67.4 Å²	67.4	4%	0.043	33%	0.331	C	S	.	.			trans	-116.4	82.6	174.2	-169.5	-4.5	0	0	0	110.7	A902 T905 L1003 L1008 F1009	A902-N1006 PolarHBondContact O-ND2 2.8Å; T905-N1006 PolarHBondContact OG1-ND2 2.71Å; L1003-N1006 PolarHBondContact O-N 2.94Å; L1003-N1006 VanDerWaalsContact O-N 3.1Å; N1006-L1008 PolarHBondContact O-N 2.89Å; N1006-L1008 WeakPolarHBondContact OD1-CB 3.36Å; N1006-L1008 PolarHBondContact OD1-N 3.21Å; N1006-F1009 HydrophobicContact CB-CB 4.13Å; N1006-F1009 PolarHBondContact O-N 2.77Å; N1006-F1009 PolarHBondContact OD1-N 3.29Å
1007	P	87.7	Confident	87.6	Confident	78 Å²	78	67 Å²	67	51%	0.506	33%	0.328	S	S	.	.	H	α-helix	trans	-64.8	-24.2	176.9	27.3	-35.1	0	0	0	112.7	R1005 I1010 I1011	R1005-P1007 WeakPolarHBondContact O-CD 3.28Å; P1007-I1010 PolarHBondContact O-N 3.4Å; P1007-I1011 WeakPolarHBondContact O-CD1 3.37Å; P1007-I1011 VanDerWaalsContact O-CG1 3.25Å; P1007-I1011 WeakPolarHBondContact O-CG1 3.37Å; P1007-I1011 PolarHBondContact O-N 3.25Å
1008	L	87.7	Confident	88.2	Confident	61 Å²	61	63.4 Å²	63.4	32%	0.319	32%	0.321	S	S	.	.	H	α-helix	trans	-67.4	-39.6	178.5	-176.7	61.1	0	0	0	111.4	L901 T905 N1006 I1011 I1012	L901-L1008 HydrophobicContact CD1-CD2 4Å; L901-L1008 HydrophobicContact CG-CD2 4.09Å; T905-L1008 HydrophobicContact CG2-CD2 4.05Å; N1006-L1008 PolarHBondContact O-N 2.89Å; N1006-L1008 WeakPolarHBondContact OD1-CB 3.36Å; N1006-L1008 PolarHBondContact OD1-N 3.21Å; L1008-I1011 PolarHBondContact O-N 3.26Å; L1008-I1012 HydrophobicContact CD1-CD1 3.9Å; L1008-I1012 HydrophobicContact CD1-CG1 4.24Å; L1008-I1012 HydrophobicContact CG-CD1 3.8Å; L1008-I1012 WeakPolarHBondContact O-CB 3.37Å; L1008-I1012 VanDerWaalsContact O-CG1 3.3Å; L1008-I1012 WeakPolarHBondContact O-CG1 3.48Å; L1008-I1012 PolarHBondContact O-N 3.11Å
1009	F	91.3	Very high	88.5	Confident	1 Å²	1	62.1 Å²	62.1	0%	0.004	31%	0.313	C	S	.	.	H	α-helix	trans	-57.4	-49.5	171.5	-179.2	-81.5	0	0	0	111.5	A902 L903 E987 F988 R991 L1003 N1006 I1011 I1012 W1013	A902-F1009 HydrophobicContact CB-CB 4.44Å; A902-F1009 HydrophobicContact CB-CD2 3.79Å; A902-F1009 HydrophobicContact CB-CE2 4.47Å; A902-F1009 HydrophobicContact CB-CG 4.44Å; L903-F1009 HydrophobicContact CD2-CD2 4.17Å; L903-F1009 HydrophobicContact CD2-CE2 3.77Å; L903-F1009 HydrophobicContact CG-CE2 4.5Å; E987-F1009 HydrophobicContact CB-CZ 4.36Å; E987-F1009 HydrophobicContact CG-CE2 3.83Å; E987-F1009 HydrophobicContact CG-CZ 4.11Å; E987-F1009 WeakPolarHBondContact OE1-CE2 3.47Å; F988-F1009 AromaticContact CD1-CE1 3.93Å; F988-F1009 HydrophobicContact CD1-CE1 3.93Å; F988-F1009 HydrophobicContact CD1-CZ 4.22Å; F988-F1009 AromaticContact CE1-CE1 3.66Å; F988-F1009 HydrophobicContact CE1-CE1 3.66Å; F988-F1009 HydrophobicContact CE1-CZ 4.35Å; F988-F1009 HydrophobicContact CZ-CE1 4.11Å; R991-F1009 HydrophobicContact CG-CE2 4.16Å; L1003-F1009 HydrophobicContact CD1-CD1 3.56Å; L1003-F1009 HydrophobicContact CD1-CE1 3.84Å; N1006-F1009 HydrophobicContact CB-CB 4.13Å; N1006-F1009 PolarHBondContact O-N 2.77Å; N1006-F1009 PolarHBondContact OD1-N 3.29Å; F1009-I1011 VanDerWaalsContact C-N 3.34Å; F1009-I1011 PolarHBondContact O-N 3.4Å; F1009-I1012 PolarHBondContact O-N 3.44Å; F1009-W1013 WeakPolarHBondContact O-CB 3.38Å; F1009-W1013 PolarHBondContact O-N 2.95Å
1010	I	92.3	Very high	89	Confident	77 Å²	77	61.8 Å²	61.8	40%	0.395	31%	0.311	S	S	.	.	H	α-helix	trans	-61.5	-42.9	-179.1	-57	172.6	0	0	0	111	L1003 P1007 F1014	L1003-I1010 HydrophobicContact CD1-CD1 4.49Å; L1003-I1010 HydrophobicContact CD1-CG1 3.94Å; L1003-I1010 HydrophobicContact CG-CD1 4.11Å; L1003-I1010 HydrophobicContact CG-CG1 4.08Å; P1007-I1010 PolarHBondContact O-N 3.4Å; I1010-F1014 WeakPolarHBondContact O-CB 3.42Å; I1010-F1014 PolarHBondContact O-N 2.67Å
1011	I	92.1	Very high	89.4	Confident	101 Å²	101	57.8 Å²	57.8	52%	0.518	30%	0.299	S	S	.	.	H	α-helix	trans	-64.1	-48.1	178	-69.4	163.5	0	0	0	111	P1007 L1008 F1009 F1014 V1015	P1007-I1011 WeakPolarHBondContact O-CD1 3.37Å; P1007-I1011 VanDerWaalsContact O-CG1 3.25Å; P1007-I1011 WeakPolarHBondContact O-CG1 3.37Å; P1007-I1011 PolarHBondContact O-N 3.25Å; L1008-I1011 PolarHBondContact O-N 3.26Å; F1009-I1011 VanDerWaalsContact C-N 3.34Å; F1009-I1011 PolarHBondContact O-N 3.4Å; I1011-F1014 PolarHBondContact O-N 3.47Å; I1011-V1015 HydrophobicContact CG2-CG2 4.28Å; I1011-V1015 VanDerWaalsContact O-CB 3.32Å; I1011-V1015 WeakPolarHBondContact O-CB 3.45Å; I1011-V1015 VanDerWaalsContact O-CG2 3.24Å; I1011-V1015 WeakPolarHBondContact O-CG2 3.43Å; I1011-V1015 PolarHBondContact O-N 2.89Å
1012	I	90.9	Very high	89.9	Confident	15 Å²	15	59 Å²	59	8%	0.077	30%	0.301	C	S	.	.	H	α-helix	trans	-63.3	-44.7	-179.2	-71.2	167.7	0	0	0	110.8	L898 L901 A902 L1008 F1009 V1015 T1016	L898-I1012 HydrophobicContact CB-CG2 3.88Å; L901-I1012 HydrophobicContact CB-CD1 3.98Å; L901-I1012 HydrophobicContact CD2-CD1 3.74Å; L901-I1012 HydrophobicContact CG-CD1 3.64Å; A902-I1012 HydrophobicContact CB-CB 4.27Å; A902-I1012 HydrophobicContact CB-CD1 3.93Å; A902-I1012 HydrophobicContact CB-CG2 4.16Å; L1008-I1012 HydrophobicContact CD1-CD1 3.9Å; L1008-I1012 HydrophobicContact CD1-CG1 4.24Å; L1008-I1012 HydrophobicContact CG-CD1 3.8Å; L1008-I1012 WeakPolarHBondContact O-CB 3.37Å; L1008-I1012 VanDerWaalsContact O-CG1 3.3Å; L1008-I1012 WeakPolarHBondContact O-CG1 3.48Å; L1008-I1012 PolarHBondContact O-N 3.11Å; F1009-I1012 PolarHBondContact O-N 3.44Å; I1012-V1015 PolarHBondContact O-N 2.91Å; I1012-T1016 WeakPolarHBondContact O-CB 3.34Å; I1012-T1016 PolarHBondContact O-N 3.4Å; I1012-T1016 PolarHBondContact O-OG1 3.27Å
1013	W	93.2	Very high	90.5	Very high	42 Å²	42	58.6 Å²	58.6	16%	0.159	29%	0.294	C	S	.	.	H	α-helix	trans	-59.7	-49.2	178.1	-170.3	90.2	0	0	0	111.7	L984 F985 F988 F1009 T1016 F1017	L984-W1013 HydrophobicContact CD2-CG 4.41Å; L984-W1013 PolarHBondContact O-NE1 2.68Å; F985-W1013 HydrophobicContact CD1-CZ2 4.39Å; F985-W1013 HydrophobicContact CE1-CH2 4.42Å; F985-W1013 AromaticContact CE1-CZ2 3.93Å; F985-W1013 HydrophobicContact CE1-CZ2 3.93Å; F985-W1013 HydrophobicContact CZ-CH2 4.35Å; F985-W1013 HydrophobicContact CZ-CZ2 4.04Å; F988-W1013 AromaticContact CE2-CD1 3.88Å; F988-W1013 HydrophobicContact CE2-CD2 4.13Å; F988-W1013 AromaticContact CE2-CE2 3.59Å; F988-W1013 HydrophobicContact CE2-CG 4.32Å; F988-W1013 HydrophobicContact CE2-CZ2 4.02Å; F988-W1013 AromaticContact CE2-NE1 3.37Å; F988-W1013 HydrophobicContact CZ-CD2 4.24Å; F988-W1013 HydrophobicContact CZ-CG 4.36Å; F1009-W1013 WeakPolarHBondContact O-CB 3.38Å; F1009-W1013 PolarHBondContact O-N 2.95Å; W1013-T1016 PolarHBondContact O-N 3.18Å; W1013-F1017 HydrophobicContact CH2-CD2 4.16Å; W1013-F1017 HydrophobicContact CH2-CG 4.43Å; W1013-F1017 HydrophobicContact CZ3-CB 4.37Å; W1013-F1017 PolarHBondContact O-N 3.45Å
1014	F	94	Very high	90.9	Very high	126 Å²	126	56.9 Å²	56.9	55%	0.553	29%	0.285	S	S	*	.	H	α-helix	trans	-65.6	-42.4	179.7	-175.1	-93	0	0	0	112.7	I1010 I1011 T1016 F1017 L1018	I1010-F1014 WeakPolarHBondContact O-CB 3.42Å; I1010-F1014 PolarHBondContact O-N 2.67Å; I1011-F1014 PolarHBondContact O-N 3.47Å; F1014-T1016 VanDerWaalsContact C-N 3.29Å; F1014-T1016 PolarHBondContact O-N 2.82Å; F1014-F1017 PolarHBondContact O-N 3.35Å; F1014-L1018 WeakPolarHBondContact O-CB 3.42Å; F1014-L1018 PolarHBondContact O-N 2.83Å
1015	V	92.3	Very high	91.3	Very high	66 Å²	66	54.3 Å²	54.3	40%	0.4	27%	0.273	S	S	.	.	H	α-helix	trans	-62.3	-38.4	175.4	166.6	0	0	0	0	111.1	I1011 I1012 L1018 L1019	I1011-V1015 HydrophobicContact CG2-CG2 4.28Å; I1011-V1015 VanDerWaalsContact O-CB 3.32Å; I1011-V1015 WeakPolarHBondContact O-CB 3.45Å; I1011-V1015 VanDerWaalsContact O-CG2 3.24Å; I1011-V1015 WeakPolarHBondContact O-CG2 3.43Å; I1011-V1015 PolarHBondContact O-N 2.89Å; I1012-V1015 PolarHBondContact O-N 2.91Å; V1015-L1018 PolarHBondContact O-N 3.31Å; V1015-L1019 HydrophobicContact CG1-CD1 3.8Å; V1015-L1019 WeakPolarHBondContact O-CB 3.2Å; V1015-L1019 WeakPolarHBondContact O-CG 3.34Å; V1015-L1019 PolarHBondContact O-N 3.4Å
1016	T	92.6	Very high	91.6	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.012	28%	0.281	C	S	.	.	H	α-helix	trans	-71.1	-42.8	179	-53.1	0	0	0	0	111.7	I894 L984 I1012 W1013 F1014 L1018 L1019 Q1020	I894-T1016 HydrophobicContact CB-CG2 4.38Å; I894-T1016 HydrophobicContact CD1-CG2 3.59Å; I894-T1016 HydrophobicContact CG1-CG2 3.62Å; I894-T1016 HydrophobicContact CG2-CG2 3.89Å; L984-T1016 HydrophobicContact CD1-CG2 4.29Å; L984-T1016 HydrophobicContact CD2-CG2 3.87Å; L984-T1016 HydrophobicContact CG-CG2 4.47Å; I1012-T1016 WeakPolarHBondContact O-CB 3.34Å; I1012-T1016 PolarHBondContact O-N 3.4Å; I1012-T1016 PolarHBondContact O-OG1 3.27Å; W1013-T1016 PolarHBondContact O-N 3.18Å; F1014-T1016 VanDerWaalsContact C-N 3.29Å; F1014-T1016 PolarHBondContact O-N 2.82Å; T1016-L1018 VanDerWaalsContact C-N 3.34Å; T1016-L1018 PolarHBondContact O-N 3.23Å; T1016-L1019 PolarHBondContact O-N 2.85Å; T1016-Q1020 WeakPolarHBondContact O-CB 3.5Å; T1016-Q1020 PolarHBondContact O-N 3.05Å
1017	F	94.4	Very high	91.4	Very high	58 Å²	58	55.4 Å²	55.4	25%	0.254	28%	0.284	S	S	.	.	H	α-helix	trans	-60.1	-43.2	173.1	-176.6	-88.5	0	0	0	111.8	L981 L984 W1013 F1014 Q1020 A1021	L981-F1017 HydrophobicContact CD2-CD2 3.73Å; L981-F1017 HydrophobicContact CD2-CE2 3.61Å; L984-F1017 HydrophobicContact CD1-CB 4.39Å; W1013-F1017 HydrophobicContact CH2-CD2 4.16Å; W1013-F1017 HydrophobicContact CH2-CG 4.43Å; W1013-F1017 HydrophobicContact CZ3-CB 4.37Å; W1013-F1017 PolarHBondContact O-N 3.45Å; F1014-F1017 PolarHBondContact O-N 3.35Å; F1017-Q1020 PolarHBondContact O-N 2.87Å; F1017-A1021 PolarHBondContact O-N 3.01Å
1018	L	94.3	Very high	91.1	Very high	87 Å²	87	54.6 Å²	54.6	46%	0.455	28%	0.28	S	S	.	.	H	α-helix	trans	-64.6	-43.7	176.3	-177.7	64.9	0	0	0	112.2	F1014 V1015 T1016 Q1020 A1021 L1022	F1014-L1018 WeakPolarHBondContact O-CB 3.42Å; F1014-L1018 PolarHBondContact O-N 2.83Å; V1015-L1018 PolarHBondContact O-N 3.31Å; T1016-L1018 VanDerWaalsContact C-N 3.34Å; T1016-L1018 PolarHBondContact O-N 3.23Å; L1018-Q1020 VanDerWaalsContact C-N 3.35Å; L1018-A1021 PolarHBondContact O-N 2.93Å; L1018-L1022 HydrophobicContact CG-CD1 4.39Å; L1018-L1022 WeakPolarHBondContact O-CG 3.18Å; L1018-L1022 PolarHBondContact O-N 3.08Å
1019	L	92	Very high	90.5	Very high	69 Å²	69	57 Å²	57	36%	0.361	29%	0.286	S	S	.	.	H	α-helix	trans	-63.5	-40.2	175.7	-78.4	164.7	0	0	0	111.8	W890 V1015 T1016 L1022 I1023	W890-L1019 HydrophobicContact CH2-CB 3.71Å; W890-L1019 HydrophobicContact CH2-CD1 3.99Å; W890-L1019 HydrophobicContact CH2-CG 4.39Å; W890-L1019 HydrophobicContact CZ2-CB 3.87Å; V1015-L1019 HydrophobicContact CG1-CD1 3.8Å; V1015-L1019 WeakPolarHBondContact O-CB 3.2Å; V1015-L1019 WeakPolarHBondContact O-CG 3.34Å; V1015-L1019 PolarHBondContact O-N 3.4Å; T1016-L1019 PolarHBondContact O-N 2.85Å; L1019-L1022 PolarHBondContact O-N 2.86Å; L1019-I1023 WeakPolarHBondContact O-CB 3.46Å; L1019-I1023 VanDerWaalsContact O-CG1 3.28Å; L1019-I1023 WeakPolarHBondContact O-CG1 3.29Å; L1019-I1023 PolarHBondContact O-N 2.84Å
1020	Q	94.3	Very high	89.9	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.3	-45.4	174	-177.9	63.4	14.4	0	0	111.3	N977 V980 T1016 F1017 L1018 L1022 I1023 I1024	N977-Q1020 WeakPolarHBondContact OD1-CG 3.34Å; N977-Q1020 PolarHBondContact OD1-NE2 2.84Å; V980-Q1020 HydrophobicContact CB-CG 4.18Å; V980-Q1020 HydrophobicContact CG1-CB 4.2Å; V980-Q1020 HydrophobicContact CG1-CG 3.73Å; T1016-Q1020 WeakPolarHBondContact O-CB 3.5Å; T1016-Q1020 PolarHBondContact O-N 3.05Å; F1017-Q1020 PolarHBondContact O-N 2.87Å; L1018-Q1020 VanDerWaalsContact C-N 3.35Å; Q1020-L1022 VanDerWaalsContact C-N 3.33Å; Q1020-L1022 PolarHBondContact O-N 3.34Å; Q1020-I1023 PolarHBondContact O-N 2.86Å; Q1020-I1024 HydrophobicContact CG-CG1 4.48Å; Q1020-I1024 VanDerWaalsContact O-CG1 3.28Å; Q1020-I1024 WeakPolarHBondContact O-CG1 3.47Å; Q1020-I1024 PolarHBondContact O-N 2.96Å
1021	A	92.8	Very high	89.3	Confident	30 Å²	30	58.2 Å²	58.2	25%	0.248	30%	0.297	C	S	.	.	H	α-helix	trans	-60.1	-41.3	175.9	0	0	0	0	0	112.5	F1017 L1018 Q1025 W1041	F1017-A1021 PolarHBondContact O-N 3.01Å; L1018-A1021 PolarHBondContact O-N 2.93Å; A1021-Q1025 WeakPolarHBondContact O-CB 3.5Å; A1021-Q1025 PolarHBondContact O-N 3.47Å; A1021-W1041 HydrophobicContact CB-CH2 4.11Å; A1021-W1041 HydrophobicContact CB-CZ2 4.27Å
1022	L	92.9	Very high	88.7	Confident	81 Å²	81	54.8 Å²	54.8	42%	0.424	28%	0.282	S	S	.	.	H	α-helix	trans	-66.5	-41.2	175.7	-69.2	171.4	0	0	0	112.6	L1018 L1019 Q1020 F1026	L1018-L1022 HydrophobicContact CG-CD1 4.39Å; L1018-L1022 WeakPolarHBondContact O-CG 3.18Å; L1018-L1022 PolarHBondContact O-N 3.08Å; L1019-L1022 PolarHBondContact O-N 2.86Å; Q1020-L1022 VanDerWaalsContact C-N 3.33Å; Q1020-L1022 PolarHBondContact O-N 3.34Å; L1022-F1026 HydrophobicContact CD2-CD2 3.89Å; L1022-F1026 HydrophobicContact CD2-CE2 3.87Å; L1022-F1026 WeakPolarHBondContact O-CB 3.43Å; L1022-F1026 PolarHBondContact O-N 3.09Å
1023	I	90.6	Very high	88.5	Confident	14 Å²	14	54.2 Å²	54.2	7%	0.072	28%	0.279	C	S	.	.	H	α-helix	trans	-63.2	-45.9	177	-74	164.6	0	0	0	110.7	W890 F976 L1019 Q1020 G1027 F1031 T1033	W890-I1023 HydrophobicContact CD2-CD1 3.74Å; W890-I1023 HydrophobicContact CE3-CD1 4.18Å; W890-I1023 HydrophobicContact CG-CD1 4.3Å; W890-I1023 HydrophobicContact CH2-CD1 4.05Å; W890-I1023 HydrophobicContact CZ2-CD1 3.55Å; W890-I1023 HydrophobicContact CZ3-CD1 4.32Å; F976-I1023 HydrophobicContact CE1-CG2 4.16Å; F976-I1023 HydrophobicContact CZ-CG2 4.47Å; L1019-I1023 WeakPolarHBondContact O-CB 3.46Å; L1019-I1023 VanDerWaalsContact O-CG1 3.28Å; L1019-I1023 WeakPolarHBondContact O-CG1 3.29Å; L1019-I1023 PolarHBondContact O-N 2.84Å; Q1020-I1023 PolarHBondContact O-N 2.86Å; I1023-G1027 WeakPolarHBondContact O-CA 3.08Å; I1023-G1027 PolarHBondContact O-N 3.07Å; I1023-F1031 HydrophobicContact CD1-CE1 3.99Å; I1023-F1031 HydrophobicContact CD1-CZ 4.11Å; I1023-F1031 HydrophobicContact CG1-CD1 4.5Å; I1023-F1031 HydrophobicContact CG1-CD2 4.49Å; I1023-F1031 HydrophobicContact CG1-CE1 4.19Å; I1023-F1031 HydrophobicContact CG1-CE2 4.18Å; I1023-F1031 HydrophobicContact CG1-CZ 4.02Å; I1023-F1031 HydrophobicContact CG2-CB 3.94Å; I1023-F1031 HydrophobicContact CG2-CD1 3.72Å; I1023-F1031 HydrophobicContact CG2-CD2 4.13Å; I1023-F1031 HydrophobicContact CG2-CE1 4.23Å; I1023-F1031 HydrophobicContact CG2-CG 3.66Å; I1023-T1033 PolarHBondContact O-OG1 3.15Å
1024	I	92.4	Very high	88.2	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.7	-43.1	179.1	-67.1	-68.5	0	0	0	111.7	T973 F976 N977 Q1020 T1033 L1036 W1041	T973-I1024 HydrophobicContact CG2-CD1 3.57Å; T973-I1024 HydrophobicContact CG2-CG2 4.42Å; F976-I1024 HydrophobicContact CD1-CD1 3.73Å; F976-I1024 HydrophobicContact CE1-CD1 3.87Å; N977-I1024 HydrophobicContact CB-CD1 3.76Å; N977-I1024 HydrophobicContact CB-CG1 4.28Å; Q1020-I1024 HydrophobicContact CG-CG1 4.48Å; Q1020-I1024 VanDerWaalsContact O-CG1 3.28Å; Q1020-I1024 WeakPolarHBondContact O-CG1 3.47Å; Q1020-I1024 PolarHBondContact O-N 2.96Å; I1024-T1033 HydrophobicContact CD1-CG2 4.3Å; I1024-L1036 HydrophobicContact CG2-CB 4.04Å; I1024-L1036 HydrophobicContact CG2-CD1 3.87Å; I1024-L1036 HydrophobicContact CG2-CG 3.77Å; I1024-W1041 HydrophobicContact CB-CZ2 3.81Å; I1024-W1041 HydrophobicContact CG1-CH2 4.45Å; I1024-W1041 HydrophobicContact CG1-CZ2 4.07Å; I1024-W1041 HydrophobicContact CG2-CZ2 3.71Å
1025	Q	91.1	Very high	87.9	Confident	90 Å²	90	52.1 Å²	52.1	42%	0.421	28%	0.279	S	S	.	.	H	α-helix	trans	-82	-31.3	-173.7	-158.5	64.9	18.6	0	0	113.8	A1021	A1021-Q1025 WeakPolarHBondContact O-CB 3.5Å; A1021-Q1025 PolarHBondContact O-N 3.47Å
1026	F	89.8	Confident	87.7	Confident	156 Å²	156	49.3 Å²	49.3	68%	0.684	26%	0.262	S	S	*	.	H	α-helix	trans	-124.7	-9	-172.3	-54.9	-71.7	0	0	0	114.5	L1022 S1028	L1022-F1026 HydrophobicContact CD2-CD2 3.89Å; L1022-F1026 HydrophobicContact CD2-CE2 3.87Å; L1022-F1026 WeakPolarHBondContact O-CB 3.43Å; L1022-F1026 PolarHBondContact O-N 3.09Å; F1026-S1028 PolarHBondContact O-N 3.12Å
1027	G	80.5	Confident	87.5	Confident	10 Å²	10	55.5 Å²	55.5	10%	0.103	29%	0.29	C	S	.	.			trans	-69.6	-27.8	-175	0	0	0	0	0	114.8	I1023 Y1029 A1030 F1031	I1023-G1027 WeakPolarHBondContact O-CA 3.08Å; I1023-G1027 PolarHBondContact O-N 3.07Å; G1027-Y1029 PolarHBondContact O-N 3.37Å; G1027-A1030 WeakPolarHBondContact O-CB 3.5Å; G1027-A1030 PolarHBondContact O-N 2.93Å; G1027-F1031 PolarHBondContact O-N 3.48Å
1028	S	81	Confident	87.2	Confident	61 Å²	61	60.1 Å²	60.1	43%	0.427	32%	0.317	S	S	.	.	H	α-helix	trans	44.7	-134.2	171.9	-169.4	0	0	0	0	112.6	F1026 A1030 F1031 S1032 T1033	F1026-S1028 PolarHBondContact O-N 3.12Å; S1028-A1030 VanDerWaalsContact C-N 3.25Å; S1028-A1030 PolarHBondContact O-N 3.23Å; S1028-F1031 PolarHBondContact O-N 3.06Å; S1028-S1032 WeakPolarHBondContact O-CA 3.48Å; S1028-S1032 PolarHBondContact O-N 3.41Å; S1028-T1033 CarbonylContact C-O 3.59Å; S1028-T1033 WeakPolarHBondContact CA-O 3.37Å; S1028-T1033 PolarHBondContact N-O 3.49Å; S1028-T1033 PolarHBondContact N-OG1 3.04Å; S1028-T1033 PolarHBondContact O-N 2.99Å
1029	Y	76	Confident	87	Confident	110 Å²	110	60.6 Å²	60.6	43%	0.431	32%	0.32	S	S	.	.	H	α-helix	trans	-59	-26.6	176.2	-69.9	-82.4	0	0	0	114.8	P968 G1027 F1031 S1032	P968-Y1029 HydrophobicContact CG-CD1 4.32Å; P968-Y1029 HydrophobicContact CG-CE1 4.2Å; G1027-Y1029 PolarHBondContact O-N 3.37Å; Y1029-F1031 VanDerWaalsContact C-N 3.35Å; Y1029-F1031 PolarHBondContact O-N 2.9Å; Y1029-S1032 PolarHBondContact O-N 2.89Å
1030	A	78.6	Confident	86.8	Confident	47 Å²	47	58.2 Å²	58.2	39%	0.388	31%	0.307	S	S	.	.	H	α-helix	trans	-72.6	-26.8	-176	0	0	0	0	0	113.4	G1027 S1028	G1027-A1030 WeakPolarHBondContact O-CB 3.5Å; G1027-A1030 PolarHBondContact O-N 2.93Å; S1028-A1030 VanDerWaalsContact C-N 3.25Å; S1028-A1030 PolarHBondContact O-N 3.23Å
1031	F	79.7	Confident	86.7	Confident	57 Å²	57	60.4 Å²	60.4	25%	0.25	32%	0.315	C	S	.	.	H	α-helix	trans	-112.7	3.5	172.6	-74.6	-92.2	0	0	0	113.1	I886 Q887 I1023 G1027 S1028 Y1029 T1033	I886-F1031 HydrophobicContact CG2-CD1 3.83Å; I886-F1031 HydrophobicContact CG2-CE1 4.05Å; Q887-F1031 WeakPolarHBondContact CG-O 3.47Å; Q887-F1031 PolarHBondContact NE2-O 3.47Å; I1023-F1031 HydrophobicContact CD1-CE1 3.99Å; I1023-F1031 HydrophobicContact CD1-CZ 4.11Å; I1023-F1031 HydrophobicContact CG1-CD1 4.5Å; I1023-F1031 HydrophobicContact CG1-CD2 4.49Å; I1023-F1031 HydrophobicContact CG1-CE1 4.19Å; I1023-F1031 HydrophobicContact CG1-CE2 4.18Å; I1023-F1031 HydrophobicContact CG1-CZ 4.02Å; I1023-F1031 HydrophobicContact CG2-CB 3.94Å; I1023-F1031 HydrophobicContact CG2-CD1 3.72Å; I1023-F1031 HydrophobicContact CG2-CD2 4.13Å; I1023-F1031 HydrophobicContact CG2-CE1 4.23Å; I1023-F1031 HydrophobicContact CG2-CG 3.66Å; G1027-F1031 PolarHBondContact O-N 3.48Å; S1028-F1031 PolarHBondContact O-N 3.06Å; Y1029-F1031 VanDerWaalsContact C-N 3.35Å; Y1029-F1031 PolarHBondContact O-N 2.9Å; F1031-T1033 VanDerWaalsContact C-N 3.34Å; F1031-T1033 HydrophobicContact CB-CG2 4.09Å
1032	S	79.4	Confident	86.7	Confident	30 Å²	30	61.4 Å²	61.4	21%	0.21	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	46.2	-172	-50.2	0	0	0	0	113.1	Q887 S1028 Y1029	Q887-S1032 PolarHBondContact NE2-O 3.42Å; S1028-S1032 WeakPolarHBondContact O-CA 3.48Å; S1028-S1032 PolarHBondContact O-N 3.41Å; Y1029-S1032 PolarHBondContact O-N 2.89Å
1033	T	87	Confident	86.6	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.012	32%	0.32	C	S	.	.			trans	-123.1	132.6	-176.6	50.1	0	0	0	0	111.5	T973 F976 I1023 I1024 S1028 F1031	T973-T1033 HydrophobicContact CG2-CG2 4Å; T973-T1033 WeakPolarHBondContact OG1-CA 3.35Å; F976-T1033 HydrophobicContact CD1-CG2 3.87Å; F976-T1033 HydrophobicContact CE1-CG2 3.92Å; I1023-T1033 PolarHBondContact O-OG1 3.15Å; I1024-T1033 HydrophobicContact CD1-CG2 4.3Å; S1028-T1033 CarbonylContact C-O 3.59Å; S1028-T1033 WeakPolarHBondContact CA-O 3.37Å; S1028-T1033 PolarHBondContact N-O 3.49Å; S1028-T1033 PolarHBondContact N-OG1 3.04Å; S1028-T1033 PolarHBondContact O-N 2.99Å; F1031-T1033 VanDerWaalsContact C-N 3.34Å; F1031-T1033 HydrophobicContact CB-CG2 4.09Å
1034	K	86.1	Confident	86.7	Confident	82 Å²	82	61.2 Å²	61.2	36%	0.357	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-100.8	137.2	171.8	-175.2	-180	176.8	-158.8	0	108.9	D958 P968 Q970 T973 L1036	D958-K1034 IonicContact OD2-NZ 3.79Å; P968-K1034 WeakPolarHBondContact O-CB 3.4Å; Q970-K1034 HydrophobicContact CB-CD 4.34Å; Q970-K1034 HydrophobicContact CG-CB 4.16Å; Q970-K1034 HydrophobicContact CG-CD 3.84Å; Q970-K1034 HydrophobicContact CG-CG 3.96Å; Q970-K1034 VanDerWaalsContact OE1-CE 3.3Å; T973-K1034 WeakPolarHBondContact CG2-O 3.48Å; T973-K1034 PolarHBondContact OG1-N 3.46Å; K1034-L1036 PolarHBondContact O-N 3.41Å
1035	A	88.8	Confident	86.7	Confident	42 Å²	42	64.6 Å²	64.6	35%	0.347	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-54.6	133.3	-174.2	0	0	0	0	0	111.7	Q970	Q970-A1035 PolarHBondContact NE2-O 2.88Å
1036	L	88.1	Confident	86.9	Confident	7 Å²	7	66.4 Å²	66.4	4%	0.037	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-91.3	141.8	-179.5	-65.7	-177.7	0	0	0	110.8	Q970 T973 I974 N977 I1024 K1034 Q1040	Q970-L1036 HydrophobicContact CG-CD2 4.2Å; T973-L1036 HydrophobicContact CG2-CD1 4.24Å; T973-L1036 HydrophobicContact CG2-CD2 3.99Å; T973-L1036 HydrophobicContact CG2-CG 3.93Å; I974-L1036 HydrophobicContact CG1-CD2 3.64Å; N977-L1036 HydrophobicContact CB-CD1 3.9Å; I1024-L1036 HydrophobicContact CG2-CB 4.04Å; I1024-L1036 HydrophobicContact CG2-CD1 3.87Å; I1024-L1036 HydrophobicContact CG2-CG 3.77Å; K1034-L1036 PolarHBondContact O-N 3.41Å; L1036-Q1040 HydrophobicContact CB-CB 4.27Å; L1036-Q1040 HydrophobicContact CD2-CB 4.4Å
1037	E	88	Confident	87.1	Confident	132 Å²	132	60 Å²	60	62%	0.617	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-76.3	167	173.2	-61.9	-159.6	172.6	0	0	112.3	D1039 Q1040 W1041	E1037-D1039 VanDerWaalsContact C-N 3.31Å; E1037-D1039 PolarHBondContact O-N 2.95Å; E1037-Q1040 HydrophobicContact CB-CG 4.41Å; E1037-Q1040 PolarHBondContact O-N 3.23Å; E1037-W1041 PolarHBondContact O-N 3.38Å
1038	L	88.2	Confident	87.8	Confident	155 Å²	155	59.5 Å²	59.5	81%	0.812	31%	0.308	S	S	*	.	H	α-helix	trans	-67.5	-31.8	-172	-147.2	152.1	0	0	0	112.2	A1042	L1038-A1042 PolarHBondContact O-N 3.19Å
1039	D	89	Confident	88.5	Confident	98 Å²	98	59.6 Å²	59.6	52%	0.524	31%	0.306	S	S	.	.	H	α-helix	trans	-70.5	-45.3	171.7	-172.8	69.5	0	0	0	112.3	E1037 W1041 A1042 W1043	E1037-D1039 VanDerWaalsContact C-N 3.31Å; E1037-D1039 PolarHBondContact O-N 2.95Å; D1039-W1041 PolarHBondContact O-N 3.15Å; D1039-A1042 CarbonylContact O-C 3.53Å; D1039-A1042 WeakPolarHBondContact O-CA 3.35Å; D1039-A1042 WeakPolarHBondContact O-CB 3.44Å; D1039-A1042 PolarHBondContact O-N 3.15Å; D1039-W1043 VanDerWaalsContact O-CD1 3.26Å; D1039-W1043 PolarHBondContact O-N 3.41Å; D1039-W1043 PolarHBondContact OD2-NE1 2.59Å; D1039-W1043 VanDerWaalsContact OD2-NE1 3.11Å
1040	Q	88.4	Confident	89.4	Confident	18 Å²	18	55.1 Å²	55.1	8%	0.084	29%	0.293	C	S	.	.	H	α-helix	trans	-58.6	-36.4	174.5	-64.3	169.8	-10.5	0	0	111.6	M955 I974 L1036 E1037 C1044	M955-Q1040 HydrophobicContact SD-CG 4.23Å; I974-Q1040 HydrophobicContact CD1-CG 4.26Å; L1036-Q1040 HydrophobicContact CB-CB 4.27Å; L1036-Q1040 HydrophobicContact CD2-CB 4.4Å; E1037-Q1040 HydrophobicContact CB-CG 4.41Å; E1037-Q1040 PolarHBondContact O-N 3.23Å; Q1040-C1044 PolarHBondContact O-N 2.77Å; Q1040-C1044 PolarHBondContact O-SG 3.41Å
1041	W	91.8	Very high	90.1	Very high	46 Å²	46	52.9 Å²	52.9	17%	0.174	28%	0.275	C	S	.	.	H	α-helix	trans	-66.1	-41	169.7	-95.9	105.1	0	0	0	113.1	N977 L981 A1021 I1024 E1037 D1039 C1044 L1045	N977-W1041 WeakPolarHBondContact ND2-CH2 3.38Å; N977-W1041 VanDerWaalsContact ND2-CZ3 3.26Å; N977-W1041 WeakPolarHBondContact ND2-CZ3 3.47Å; L981-W1041 HydrophobicContact CD1-CE3 4.33Å; L981-W1041 HydrophobicContact CD1-CZ3 4.02Å; A1021-W1041 HydrophobicContact CB-CH2 4.11Å; A1021-W1041 HydrophobicContact CB-CZ2 4.27Å; I1024-W1041 HydrophobicContact CB-CZ2 3.81Å; I1024-W1041 HydrophobicContact CG1-CH2 4.45Å; I1024-W1041 HydrophobicContact CG1-CZ2 4.07Å; I1024-W1041 HydrophobicContact CG2-CZ2 3.71Å; E1037-W1041 PolarHBondContact O-N 3.38Å; D1039-W1041 PolarHBondContact O-N 3.15Å; W1041-C1044 PolarHBondContact O-N 3.38Å; W1041-L1045 VanDerWaalsContact O-CB 3.3Å; W1041-L1045 WeakPolarHBondContact O-CB 3.25Å; W1041-L1045 PolarHBondContact O-N 3.13Å
1042	A	92.6	Very high	90.7	Very high	51 Å²	51	51.5 Å²	51.5	42%	0.421	27%	0.27	S	S	.	.	H	α-helix	trans	-62.9	-40.2	176.5	0	0	0	0	0	111.8	L1038 D1039 L1045 F1046	L1038-A1042 PolarHBondContact O-N 3.19Å; D1039-A1042 CarbonylContact O-C 3.53Å; D1039-A1042 WeakPolarHBondContact O-CA 3.35Å; D1039-A1042 WeakPolarHBondContact O-CB 3.44Å; D1039-A1042 PolarHBondContact O-N 3.15Å; A1042-L1045 PolarHBondContact O-N 2.72Å; A1042-F1046 WeakPolarHBondContact O-CB 3.29Å; A1042-F1046 PolarHBondContact O-N 3.22Å
1043	W	91	Very high	91.4	Very high	91 Å²	91	54.6 Å²	54.6	35%	0.345	29%	0.287	S	S	.	.	H	α-helix	trans	-65	-47.7	172.6	-75.6	108	0	0	0	112.9	M955 D1039 L1045 F1046 F1047	M955-W1043 HydrophobicContact CE-CB 3.54Å; M955-W1043 HydrophobicContact CE-CD2 4.13Å; M955-W1043 HydrophobicContact CE-CG 3.49Å; M955-W1043 VanDerWaalsContact CE-CG 3.49Å; D1039-W1043 VanDerWaalsContact O-CD1 3.26Å; D1039-W1043 PolarHBondContact O-N 3.41Å; D1039-W1043 PolarHBondContact OD2-NE1 2.59Å; D1039-W1043 VanDerWaalsContact OD2-NE1 3.11Å; W1043-L1045 PolarHBondContact O-N 2.69Å; W1043-F1046 HydrophobicContact CE3-CD1 4.15Å; W1043-F1046 HydrophobicContact CZ3-CD1 4.22Å; W1043-F1046 HydrophobicContact CZ3-CE1 4.42Å; W1043-F1046 WeakPolarHBondContact O-CB 3.4Å; W1043-F1046 PolarHBondContact O-N 2.9Å; W1043-F1046 VanDerWaalsContact O-N 3.13Å; W1043-F1047 HydrophobicContact CB-CE2 4.37Å; W1043-F1047 HydrophobicContact CE3-CE2 4.22Å; W1043-F1047 HydrophobicContact CE3-CZ 4.26Å; W1043-F1047 WeakPolarHBondContact O-CD2 3.48Å; W1043-F1047 PolarHBondContact O-N 3.09Å
1044	C	92.6	Very high	91.7	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.007	31%	0.305	C	S	.	.	H	α-helix	trans	-56.1	-40.9	174.2	-69.2	0	0	0	0	111.6	L981 Q1040 W1041 G1048	L981-C1044 HydrophobicContact CD1-CB 3.86Å; Q1040-C1044 PolarHBondContact O-N 2.77Å; Q1040-C1044 PolarHBondContact O-SG 3.41Å; W1041-C1044 PolarHBondContact O-N 3.38Å; C1044-G1048 PolarHBondContact O-N 3.19Å
1045	L	93.8	Very high	91.9	Very high	70 Å²	70	55.4 Å²	55.4	37%	0.366	29%	0.288	S	S	.	.	H	α-helix	trans	-69.2	-38.1	176.4	-178.1	61.9	0	0	0	112.4	F985 W1041 A1042 W1043 G1048 V1049	F985-L1045 HydrophobicContact CE2-CD1 3.83Å; F985-L1045 HydrophobicContact CZ-CD1 3.9Å; W1041-L1045 VanDerWaalsContact O-CB 3.3Å; W1041-L1045 WeakPolarHBondContact O-CB 3.25Å; W1041-L1045 PolarHBondContact O-N 3.13Å; A1042-L1045 PolarHBondContact O-N 2.72Å; W1043-L1045 PolarHBondContact O-N 2.69Å; L1045-G1048 PolarHBondContact O-N 2.84Å; L1045-V1049 HydrophobicContact CD1-CG2 4.15Å; L1045-V1049 HydrophobicContact CG-CG2 4.43Å; L1045-V1049 WeakPolarHBondContact O-CG2 3.23Å; L1045-V1049 PolarHBondContact O-N 2.88Å
1046	F	94.9	Very high	92	Very high	128 Å²	128	56.1 Å²	56.1	56%	0.561	28%	0.284	S	S	*	.	H	α-helix	trans	-60.6	-47.7	175.7	171.6	-98.2	0	0	0	111.7	A1042 W1043 G1048 V1049 G1050	A1042-F1046 WeakPolarHBondContact O-CB 3.29Å; A1042-F1046 PolarHBondContact O-N 3.22Å; W1043-F1046 HydrophobicContact CE3-CD1 4.15Å; W1043-F1046 HydrophobicContact CZ3-CD1 4.22Å; W1043-F1046 HydrophobicContact CZ3-CE1 4.42Å; W1043-F1046 WeakPolarHBondContact O-CB 3.4Å; W1043-F1046 PolarHBondContact O-N 2.9Å; W1043-F1046 VanDerWaalsContact O-N 3.13Å; F1046-G1048 VanDerWaalsContact C-N 3.34Å; F1046-G1048 PolarHBondContact O-N 2.9Å; F1046-V1049 PolarHBondContact O-N 3.15Å; F1046-G1050 PolarHBondContact O-N 3.28Å
1047	F	94.3	Very high	92.2	Very high	21 Å²	21	58.8 Å²	58.8	9%	0.092	30%	0.301	C	S	.	.	H	α-helix	trans	-64.3	-38.6	174.2	-64.4	-60.9	0	0	0	112.1	Y939 V943 F946 L947 M982 W1043 G1050 E1051	Y939-F1047 PolarHBondContact OH-O 2.9Å; V943-F1047 HydrophobicContact CG1-CB 3.95Å; V943-F1047 HydrophobicContact CG1-CD1 3.72Å; V943-F1047 HydrophobicContact CG1-CD2 4.27Å; V943-F1047 HydrophobicContact CG1-CE1 4.31Å; V943-F1047 HydrophobicContact CG1-CG 3.71Å; V943-F1047 HydrophobicContact CG2-CD1 3.97Å; F946-F1047 HydrophobicContact CD1-CZ 4.4Å; F946-F1047 HydrophobicContact CE1-CZ 4.15Å; L947-F1047 HydrophobicContact CD2-CD2 4.48Å; L947-F1047 HydrophobicContact CD2-CE2 3.87Å; L947-F1047 HydrophobicContact CD2-CZ 4.39Å; M982-F1047 HydrophobicContact CG-CB 4.46Å; M982-F1047 HydrophobicContact SD-CB 4.44Å; W1043-F1047 HydrophobicContact CB-CE2 4.37Å; W1043-F1047 HydrophobicContact CE3-CE2 4.22Å; W1043-F1047 HydrophobicContact CE3-CZ 4.26Å; W1043-F1047 WeakPolarHBondContact O-CD2 3.48Å; W1043-F1047 PolarHBondContact O-N 3.09Å; F1047-G1050 PolarHBondContact O-N 3.21Å; F1047-E1051 PolarHBondContact O-N 2.97Å
1048	G	94.1	Very high	92.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-57.6	-52.3	172.5	0	0	0	0	0	113.1	F985 C1044 L1045 F1046 G1050 E1051	F985-G1048 WeakPolarHBondContact CB-O 3.44Å; F985-G1048 VanDerWaalsContact CD2-CA 3.49Å; F985-G1048 WeakPolarHBondContact CD2-O 3.08Å; F985-G1048 VanDerWaalsContact CG-O 3.32Å; F985-G1048 WeakPolarHBondContact CG-O 3.35Å; C1044-G1048 PolarHBondContact O-N 3.19Å; L1045-G1048 PolarHBondContact O-N 2.84Å; F1046-G1048 VanDerWaalsContact C-N 3.34Å; F1046-G1048 PolarHBondContact O-N 2.9Å; G1048-G1050 VanDerWaalsContact C-N 3.29Å; G1048-G1050 PolarHBondContact O-N 2.88Å; G1048-E1051 VanDerWaalsContact O-CB 3.24Å; G1048-E1051 WeakPolarHBondContact O-CB 3.35Å; G1048-E1051 PolarHBondContact O-N 3.34Å
1049	V	95.5	Very high	92.2	Very high	63 Å²	63	46.9 Å²	46.9	38%	0.382	24%	0.242	S	C	.	.	H	α-helix	trans	-67.6	-30.8	178.5	172.8	0	0	0	0	111.7	F985 L1045 F1046 E1051 L1052	F985-V1049 HydrophobicContact CE1-CG2 4.2Å; F985-V1049 HydrophobicContact CE2-CG2 4.16Å; F985-V1049 HydrophobicContact CZ-CG2 3.86Å; L1045-V1049 HydrophobicContact CD1-CG2 4.15Å; L1045-V1049 HydrophobicContact CG-CG2 4.43Å; L1045-V1049 WeakPolarHBondContact O-CG2 3.23Å; L1045-V1049 PolarHBondContact O-N 2.88Å; F1046-V1049 PolarHBondContact O-N 3.15Å; V1049-E1051 PolarHBondContact O-N 3.45Å; V1049-L1052 WeakPolarHBondContact O-CB 3.24Å; V1049-L1052 PolarHBondContact O-N 2.93Å
1050	G	95.3	Very high	92.1	Very high	17 Å²	17	46.2 Å²	46.2	18%	0.175	24%	0.242	C	C	.	.	H	α-helix	trans	-56.4	-32.8	173.8	0	0	0	0	0	113.5	Y939 F1046 F1047 G1048 L1052 V1053 W1054	Y939-G1050 WeakPolarHBondContact OH-CA 3.27Å; F1046-G1050 PolarHBondContact O-N 3.28Å; F1047-G1050 PolarHBondContact O-N 3.21Å; G1048-G1050 VanDerWaalsContact C-N 3.29Å; G1048-G1050 PolarHBondContact O-N 2.88Å; G1050-L1052 VanDerWaalsContact C-N 3.32Å; G1050-L1052 PolarHBondContact O-N 3.17Å; G1050-V1053 PolarHBondContact O-N 3.43Å; G1050-V1053 VanDerWaalsContact O-N 3.17Å; G1050-W1054 WeakPolarHBondContact O-CB 3.22Å; G1050-W1054 PolarHBondContact O-N 2.8Å
1051	E	94.1	Very high	91.8	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.6	-37.6	173.4	-171.6	70.7	-94.1	0	0	112.9	H936 Y939 Q940 F985 N986 N989 F1047 G1048 V1049 V1053 W1054 G1055	H936-E1051 IonicContact CE1-OE1 3.24Å; H936-E1051 IonicContact CG-OE1 2.66Å; H936-E1051 IonicContact ND1-OE1 2.73Å; H936-E1051 PolarHBondContact ND1-OE1 3.24Å; Y939-E1051 HydrophobicContact CD1-CB 4.44Å; Y939-E1051 HydrophobicContact CE1-CB 4.11Å; Q940-E1051 WeakPolarHBondContact CG-OE2 3.37Å; Q940-E1051 PolarHBondContact NE2-OE2 3.15Å; F985-E1051 HydrophobicContact CB-CB 4.31Å; N986-E1051 HydrophobicContact CB-CG 3.88Å; N989-E1051 PolarHBondContact ND2-O 3.06Å; F1047-E1051 PolarHBondContact O-N 2.97Å; G1048-E1051 VanDerWaalsContact O-CB 3.24Å; G1048-E1051 WeakPolarHBondContact O-CB 3.35Å; G1048-E1051 PolarHBondContact O-N 3.34Å; V1049-E1051 PolarHBondContact O-N 3.45Å; E1051-V1053 VanDerWaalsContact C-N 3.34Å; E1051-W1054 PolarHBondContact O-N 3.28Å; E1051-G1055 PolarHBondContact O-N 2.73Å
1052	L	92.6	Very high	91.2	Very high	28 Å²	28	49.7 Å²	49.7	15%	0.147	27%	0.27	C	S	.	.	H	α-helix	trans	-65.9	-39.3	176.6	-61.7	177.7	0	0	0	111.3	F985 F988 F1000 V1049 G1050	F985-L1052 HydrophobicContact CB-CD2 4.24Å; F985-L1052 HydrophobicContact CB-CG 4.2Å; F985-L1052 HydrophobicContact CD1-CD1 3.73Å; F985-L1052 HydrophobicContact CD1-CD2 4.27Å; F985-L1052 HydrophobicContact CD1-CG 3.98Å; F985-L1052 HydrophobicContact CE1-CD1 4.21Å; F985-L1052 HydrophobicContact CG-CG 4.43Å; F985-L1052 WeakPolarHBondContact O-CD2 3.46Å; F988-L1052 HydrophobicContact CB-CD2 3.91Å; F988-L1052 HydrophobicContact CD2-CD2 4.4Å; F988-L1052 HydrophobicContact CG-CD2 4.5Å; F1000-L1052 HydrophobicContact CZ-CD1 4.28Å; V1049-L1052 WeakPolarHBondContact O-CB 3.24Å; V1049-L1052 PolarHBondContact O-N 2.93Å; G1050-L1052 VanDerWaalsContact C-N 3.32Å; G1050-L1052 PolarHBondContact O-N 3.17Å
1053	V	92.9	Very high	90.3	Very high	94 Å²	94	50.3 Å²	50.3	57%	0.57	27%	0.267	S	S	*	.	H	α-helix	trans	-70.8	-44.7	177.7	-175.4	0	0	0	0	110	G1050 E1051 G1055 Q1056 V1057	G1050-V1053 PolarHBondContact O-N 3.43Å; G1050-V1053 VanDerWaalsContact O-N 3.17Å; E1051-V1053 VanDerWaalsContact C-N 3.34Å; V1053-G1055 VanDerWaalsContact C-N 3.3Å; V1053-G1055 PolarHBondContact O-N 3.07Å; V1053-Q1056 WeakPolarHBondContact O-CB 3.36Å; V1053-Q1056 PolarHBondContact O-N 2.87Å; V1053-V1057 PolarHBondContact O-N 2.73Å
1054	W	93.8	Very high	89.3	Confident	102 Å²	102	50.1 Å²	50.1	39%	0.386	29%	0.285	S	S	.	.	H	α-helix	trans	-62.2	-36.2	177.4	-166.9	-105	0	0	0	112.3	G935 Y939 G1050 E1051 Q1056 V1057 V1058	G935-W1054 PolarHBondContact O-NE1 2.89Å; Y939-W1054 VanDerWaalsContact CB-CD1 3.45Å; Y939-W1054 HydrophobicContact CD2-CB 4.06Å; Y939-W1054 AromaticContact CD2-CD2 3.9Å; Y939-W1054 HydrophobicContact CD2-CD2 3.9Å; Y939-W1054 HydrophobicContact CD2-CE3 4.32Å; Y939-W1054 AromaticContact CD2-CG 3.77Å; Y939-W1054 HydrophobicContact CD2-CG 3.77Å; Y939-W1054 HydrophobicContact CE2-CB 4.39Å; Y939-W1054 HydrophobicContact CG-CB 4.23Å; Y939-W1054 AromaticContact CG-CD1 3.88Å; Y939-W1054 HydrophobicContact CG-CD2 4.43Å; Y939-W1054 AromaticContact CG-CG 3.93Å; Y939-W1054 HydrophobicContact CG-CG 3.93Å; G1050-W1054 WeakPolarHBondContact O-CB 3.22Å; G1050-W1054 PolarHBondContact O-N 2.8Å; E1051-W1054 PolarHBondContact O-N 3.28Å; W1054-Q1056 PolarHBondContact O-N 3.11Å; W1054-V1057 HydrophobicContact CE3-CB 4.39Å; W1054-V1057 HydrophobicContact CE3-CG2 4.42Å; W1054-V1057 HydrophobicContact CZ3-CG1 4.47Å; W1054-V1057 CarbonylContact O-C 3.56Å; W1054-V1057 WeakPolarHBondContact O-CA 3.36Å; W1054-V1057 WeakPolarHBondContact O-CB 3.46Å; W1054-V1057 PolarHBondContact O-N 3.11Å; W1054-V1058 HydrophobicContact CG-CG2 4.41Å; W1054-V1058 WeakPolarHBondContact O-CG2 3.28Å; W1054-V1058 PolarHBondContact O-N 3.03Å
1055	G	91.1	Very high	88.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-56.9	-30.4	171.2	0	0	0	0	0	114.2	H936 E1051 V1053 N1059	H936-G1055 VanDerWaalsContact CE1-CA 3.42Å; H936-G1055 WeakPolarHBondContact CE1-CA 3.4Å; E1051-G1055 PolarHBondContact O-N 2.73Å; V1053-G1055 VanDerWaalsContact C-N 3.3Å; V1053-G1055 PolarHBondContact O-N 3.07Å; G1055-N1059 WeakPolarHBondContact O-CB 3.26Å; G1055-N1059 PolarHBondContact O-N 2.62Å; G1055-N1059 PolarHBondContact O-ND2 3.06Å
1056	Q	90.9	Very high	86.7	Confident	57 Å²	57	54.2 Å²	54.2	27%	0.266	31%	0.305	S	S	.	.	H	α-helix	trans	-73.2	-39.1	172.2	-57.6	-57.5	-41.7	0	0	111.7	R997 V1053 W1054 N1059 T1060	R997-Q1056 PolarHBondContact O-NE2 3.2Å; R997-Q1056 PolarHBondContact O-OE1 2.91Å; V1053-Q1056 WeakPolarHBondContact O-CB 3.36Å; V1053-Q1056 PolarHBondContact O-N 2.87Å; W1054-Q1056 PolarHBondContact O-N 3.11Å; Q1056-N1059 PolarHBondContact O-N 3.16Å; Q1056-T1060 PolarHBondContact O-N 2.82Å
1057	V	90.5	Very high	85	Confident	63 Å²	63	53 Å²	53	38%	0.382	31%	0.311	S	S	.	.	H	α-helix	trans	-63.4	-49.4	175.3	-176.2	0	0	0	0	110.9	V1053 W1054 N1059 T1060 V1061	V1053-V1057 PolarHBondContact O-N 2.73Å; W1054-V1057 HydrophobicContact CE3-CB 4.39Å; W1054-V1057 HydrophobicContact CE3-CG2 4.42Å; W1054-V1057 HydrophobicContact CZ3-CG1 4.47Å; W1054-V1057 CarbonylContact O-C 3.56Å; W1054-V1057 WeakPolarHBondContact O-CA 3.36Å; W1054-V1057 WeakPolarHBondContact O-CB 3.46Å; W1054-V1057 PolarHBondContact O-N 3.11Å; V1057-N1059 PolarHBondContact O-N 3.08Å; V1057-N1059 VanDerWaalsContact O-N 3.15Å; V1057-T1060 PolarHBondContact O-N 3.26Å; V1057-T1060 PolarHBondContact O-OG1 3.24Å; V1057-V1061 PolarHBondContact O-N 3.04Å
1058	V	90.4	Very high	83.2	Confident	8 Å²	8	59.4 Å²	59.4	5%	0.048	34%	0.338	C	S	.	.	H	α-helix	trans	-57.2	-32.9	176.3	175.9	0	0	0	0	111.4	K931 W1054 V1061	K931-V1058 WeakPolarHBondContact CE-O 3.28Å; K931-V1058 HydrophobicContact CG-CG1 4.19Å; K931-V1058 PolarHBondContact NZ-O 2.8Å; W1054-V1058 HydrophobicContact CG-CG2 4.41Å; W1054-V1058 WeakPolarHBondContact O-CG2 3.28Å; W1054-V1058 PolarHBondContact O-N 3.03Å; V1058-V1061 PolarHBondContact O-N 3.29Å
1059	N	85.9	Confident	81	Confident	28 Å²	28	64.9 Å²	64.9	15%	0.15	38%	0.375	C	S	.	.	H	α-helix	trans	-73.7	-22.9	175.9	-84.2	-56.4	0	0	0	114.9	Q928 G995 G1055 Q1056 V1057	Q928-N1059 PolarHBondContact NE2-OD1 2.88Å; Q928-N1059 VanDerWaalsContact NE2-OD1 3.13Å; G995-N1059 WeakPolarHBondContact CA-OD1 3.45Å; G1055-N1059 WeakPolarHBondContact O-CB 3.26Å; G1055-N1059 PolarHBondContact O-N 2.62Å; G1055-N1059 PolarHBondContact O-ND2 3.06Å; Q1056-N1059 PolarHBondContact O-N 3.16Å; V1057-N1059 PolarHBondContact O-N 3.08Å; V1057-N1059 VanDerWaalsContact O-N 3.15Å
1060	T	86.6	Confident	78.3	Confident	85 Å²	85	71.7 Å²	71.7	52%	0.521	40%	0.4	S	S	.	.	H	α-helix	trans	-76.1	-27.9	172.7	68.7	0	0	0	0	112.7	Q1056 V1057	Q1056-T1060 PolarHBondContact O-N 2.82Å; V1057-T1060 PolarHBondContact O-N 3.26Å; V1057-T1060 PolarHBondContact O-OG1 3.24Å
1061	V	83.9	Confident	75.5	Confident	55 Å²	55	76.3 Å²	76.3	33%	0.333	43%	0.428	S	S	.	.	S	Bend	trans	-61.9	123.5	-177.8	178.9	0	0	0	0	110.8	K931 V1057 V1058 I1065	K931-V1061 HydrophobicContact CD-CB 4.2Å; K931-V1061 HydrophobicContact CD-CG1 4.33Å; K931-V1061 WeakPolarHBondContact CD-O 3.44Å; K931-V1061 PolarHBondContact NZ-O 3.07Å; V1057-V1061 PolarHBondContact O-N 3.04Å; V1058-V1061 PolarHBondContact O-N 3.29Å; V1061-I1065 HydrophobicContact CG1-CD1 3.72Å
1062	P	78.4	Confident	72.5	Confident	81 Å²	81	88 Å²	88	53%	0.526	47%	0.472	S	S	.	.			trans	-73.1	139.7	-174	27	-34.4	0	0	0	113.2	A1064 I1065	P1062-A1064 PolarHBondContact O-N 3.17Å; P1062-I1065 HydrophobicContact CG-CD1 3.88Å; P1062-I1065 HydrophobicContact CG-CG1 4.48Å; P1062-I1065 PolarHBondContact O-N 2.61Å
1063	N	74.4	Confident	69.4	Low	64 Å²	64	96.5 Å²	96.5	34%	0.342	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	8.8	-175.3	-66.6	-22.6	0	0	0	115.3	Q928 K931	Q928-N1063 PolarHBondContact OE1-ND2 3.02Å; Q928-N1063 PolarHBondContact OE1-OD1 3.14Å; K931-N1063 WeakPolarHBondContact CD-OD1 3.32Å; K931-N1063 WeakPolarHBondContact CE-OD1 3.43Å; K931-N1063 PolarHBondContact NZ-OD1 3.39Å
1064	A	69.2	Low	66.3	Low	88 Å²	88	103.3 Å²	103.3	73%	0.727	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-27.7	173.6	0	0	0	0	0	113	P1062 I1066	P1062-A1064 PolarHBondContact O-N 3.17Å; A1064-I1066 VanDerWaalsContact C-N 3.27Å; A1064-I1066 PolarHBondContact O-N 3.45Å
1065	I	67.7	Low	63	Low	120 Å²	120	108.3 Å²	108.3	62%	0.615	55%	0.548	S	S	*	.	S	Bend	trans	-66.8	-28.9	-175.7	-68.1	162.2	0	0	0	111.9	V1061 P1062	V1061-I1065 HydrophobicContact CG1-CD1 3.72Å; P1062-I1065 HydrophobicContact CG-CD1 3.88Å; P1062-I1065 HydrophobicContact CG-CG1 4.48Å; P1062-I1065 PolarHBondContact O-N 2.61Å
1066	I	63.4	Low	60	Low	36 Å²	36	117.7 Å²	117.7	19%	0.185	58%	0.583	C	S	.	*	S	Bend	trans	-82.1	119.8	177.1	-61.3	-175.1	0	0	0	110	K931 A1064	K931-I1066 HydrophobicContact CB-CD1 3.49Å; K931-I1066 VanDerWaalsContact CB-CD1 3.49Å; K931-I1066 HydrophobicContact CG-CD1 4.03Å; A1064-I1066 VanDerWaalsContact C-N 3.27Å; A1064-I1066 PolarHBondContact O-N 3.45Å
1067	P	59.6	Low	56.9	Low	104 Å²	104	120.6 Å²	120.6	68%	0.675	61%	0.607	S	S	*	*			trans	-61	142	-175.9	24	-33.8	0	0	0	111.6	C1069	P1067-C1069 PolarHBondContact O-N 2.91Å
1068	K	56.1	Low	54	Low	155 Å²	155	123.9 Å²	123.9	67%	0.674	63%	0.628	S	S	*	*			trans	-64.1	104.2	173.6	-59.6	-176.7	-174.2	173.2	0	108.6	K1070	K1068-K1070 PolarHBondContact O-N 3.3Å
1069	C	49.1	Very low	51.1	Low	114 Å²	114	130.2 Å²	130.2	77%	0.77	67%	0.666	S	S	*	*			trans	-51.2	103.9	174.8	-65.8	0	0	0	0	110.4	P1067 C1071	P1067-C1069 PolarHBondContact O-N 2.91Å; C1069-C1071 PolarHBondContact O-N 3.48Å
1070	K	38.2	Very low	48.2	Very low	206 Å²	206	135.2 Å²	135.2	90%	0.896	70%	0.697	S	S	*	*			trans	-74.1	73.6	-178.2	-73.3	-178.1	178.8	174.8	0	109.8	K1068 R1072	K1068-K1070 PolarHBondContact O-N 3.3Å; K1070-R1072 PolarHBondContact O-N 3.11Å
1071	C	36.7	Very low	45.3	Very low	115 Å²	115	134.4 Å²	134.4	78%	0.777	71%	0.706	S	S	*	*			trans	-53.6	110.4	163.3	-71.6	0	0	0	0	108	C1069 K1073	C1069-C1071 PolarHBondContact O-N 3.48Å; C1071-K1073 PolarHBondContact O-N 3.28Å
1072	R	30.3	Very low	42.8	Very low	246 Å²	246	137.6 Å²	137.6	93%	0.928	73%	0.725	S	S	*	*			trans	-48.2	101.2	-169	-165.9	172.7	-174.7	169.3	0.6	110.3	K1070 R1074	K1070-R1072 PolarHBondContact O-N 3.11Å; R1072-R1074 VanDerWaalsContact C-N 3.35Å; R1072-R1074 PolarHBondContact O-N 3.17Å
1073	K	28.2	Very low	40.3	Very low	205 Å²	205	141.1 Å²	141.1	89%	0.891	74%	0.739	S	S	*	*			trans	-60.8	96.7	176.7	-82.9	-170.2	176.1	-175.3	0	107.8	C1071 K1075	C1071-K1073 PolarHBondContact O-N 3.28Å; K1073-K1075 PolarHBondContact O-N 2.91Å; K1073-K1075 VanDerWaalsContact O-N 3.16Å
1074	R	27.3	Very low	38	Very low	238 Å²	238	147 Å²	147	90%	0.898	77%	0.765	S	S	*	*			trans	-61.5	115.7	169.2	-167.5	173.5	-172.5	168.2	2.1	106.2	R1072 R1076	R1072-R1074 VanDerWaalsContact C-N 3.35Å; R1072-R1074 PolarHBondContact O-N 3.17Å; R1074-R1076 PolarHBondContact O-N 3.2Å; R1074-R1076 VanDerWaalsContact O-N 3.16Å
1075	K	24.9	Very low	35.9	Very low	207 Å²	207	150.6 Å²	150.6	90%	0.9	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-46.9	125.2	177.3	-76.6	-170.4	175.9	-173	0	107.9	K1073	K1073-K1075 PolarHBondContact O-N 2.91Å; K1073-K1075 VanDerWaalsContact O-N 3.16Å
1076	R	28.1	Very low	34	Very low	196 Å²	196	149.8 Å²	149.8	74%	0.74	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-98.7	148.3	163.1	-77.8	-173.6	174.2	176.8	0.4	106.8	R1074 T1078	R1074-R1076 PolarHBondContact O-N 3.2Å; R1074-R1076 VanDerWaalsContact O-N 3.16Å; R1076-T1078 PolarHBondContact O-N 3.3Å
1077	P	26.3	Very low	32.4	Very low	119 Å²	119	152.9 Å²	152.9	77%	0.773	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-60	135.5	171.4	27.3	-34.1	0	0	0	109.3
1078	T	28.6	Very low	31	Very low	132 Å²	132	151.6 Å²	151.6	81%	0.81	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-64.1	127.5	161.4	3	0	0	0	0	107.6	R1076	R1076-T1078 PolarHBondContact O-N 3.3Å
1079	V	29.9	Very low	29.5	Very low	141 Å²	141	152 Å²	152	86%	0.855	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-87.2	119.8	164.6	177.7	0	0	0	0	105.9
1080	V	25.9	Very low	28.6	Very low	133 Å²	133	156.5 Å²	156.5	81%	0.806	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-81.5	144.9	-179.4	178	0	0	0	0	109.8
1081	G	25.8	Very low	28.3	Very low	68 Å²	68	154.9 Å²	154.9	70%	0.701	83%	0.825	S	S	*	*			trans	79.5	86.8	156.8	0	0	0	0	0	117.9
1082	V	30.6	Very low	27.6	Very low	122 Å²	122	157.9 Å²	157.9	74%	0.739	83%	0.825	S	S	*	*			trans	-138.4	129.2	144.5	-177.8	0	0	0	0	107.5
1083	N	25.8	Very low	27.6	Very low	154 Å²	154	153.4 Å²	153.4	82%	0.824	82%	0.82	S	S	*	*			trans	-66.8	131.2	-179.5	-75	-21.7	0	0	0	112.2
1084	E	25.9	Very low	27.8	Very low	189 Å²	189	147.4 Å²	147.4	88%	0.883	81%	0.808	S	S	*	*			trans	-90.4	114.9	161.2	-68.8	-169.5	138.7	0	0	109.2
1085	N	25	Very low	27.8	Very low	162 Å²	162	143 Å²	143	87%	0.866	80%	0.802	S	S	*	*			trans	-158.2	55.3	175.7	-121.6	-22.3	0	0	0	111.6
1086	A	27.8	Very low	28	Very low	103 Å²	103	141.9 Å²	141.9	85%	0.851	80%	0.799	S	S	*	*	S	Bend	trans	-163.6	50.2	176.9	0	0	0	0	0	116.1
1087	A	31.2	Very low	27.8	Very low	101 Å²	101	139 Å²	139	84%	0.835	80%	0.803	S	S	*	*			trans	-175.7	120.3	152.7	0	0	0	0	0	112.3
1088	G	28.6	Very low	27.9	Very low	77 Å²	77	137 Å²	137	79%	0.794	80%	0.803	S	S	*	*			trans	-78.4	173.1	151.4	0	0	0	0	0	110.2
1089	E	25.5	Very low	27.8	Very low	164 Å²	164	139.2 Å²	139.2	77%	0.766	81%	0.805	S	S	*	*			cis	-155.9	-177.1	8.1	-161	168.9	-167.8	0	0	108.4
1090	Y	29.4	Very low	27.5	Very low	209 Å²	209	138.2 Å²	138.2	82%	0.82	80%	0.799	S	S	*	*			trans	64.9	109.9	-175.4	-45.9	-88.6	0	0	0	113
1091	I	31.9	Very low	27.5	Very low	171 Å²	171	139.5 Å²	139.5	88%	0.877	80%	0.801	S	S	*	*			cis	-146.9	158	44	-78.3	165.7	0	0	0	110
1092	K	23.7	Very low	27.4	Very low	178 Å²	178	144.6 Å²	144.6	77%	0.774	81%	0.807	S	S	*	*			trans	-97	167.2	178.5	-84.5	-173.1	172.2	-177	0	114
1093	D	28.4	Very low	27	Very low	152 Å²	152	147.5 Å²	147.5	81%	0.813	81%	0.812	S	S	*	*			trans	71.6	132.1	165.4	-45.2	-39	0	0	0	115.7
1094	A	32.6	Very low	27.1	Very low	79 Å²	79	148.8 Å²	148.8	65%	0.653	81%	0.813	S	S	*	*			cis	-143.5	150.7	4.9	0	0	0	0	0	110.3
1095	I	29.2	Very low	27	Very low	147 Å²	147	149.1 Å²	149.1	75%	0.754	82%	0.815	S	S	*	*				58.1	125.5	100.5	-54.3	174.1	0	0	0	112.6
1096	E	28.2	Very low	26.9	Very low	183 Å²	183	149 Å²	149	86%	0.855	81%	0.814	S	S	*	*			cis	-144.6	-166.2	23	-147.1	142.2	-133.7	0	0	114.1
1097	V	24.6	Very low	26.8	Very low	136 Å²	136	153.3 Å²	153.3	82%	0.824	82%	0.817	S	S	*	*			trans	-112.4	156.1	-165.8	176.7	0	0	0	0	113.5
1098	G	27.3	Very low	26.6	Very low	75 Å²	75	155.5 Å²	155.5	77%	0.773	81%	0.813	S	S	*	*			trans	-166.2	138	165.8	0	0	0	0	0	112.8
1099	E	26.5	Very low	26.3	Very low	180 Å²	180	157 Å²	157	84%	0.841	81%	0.811	S	S	*	*			trans	-99.4	139.4	-166.9	-69.3	173.1	122.7	0	0	112.6
1100	V	22.9	Very low	26.8	Very low	120 Å²	120	154.6 Å²	154.6	73%	0.727	81%	0.81	S	S	*	*				75.6	122.7	95.9	-177.4	0	0	0	0	115.4
1101	D	26.3	Very low	26.7	Very low	159 Å²	159	152.3 Å²	152.3	85%	0.85	81%	0.811	S	S	*	*			trans	172.2	166.4	130.1	-93.6	-34.6	0	0	0	111.8
1102	E	23.5	Very low	26.4	Very low	176 Å²	176	149.2 Å²	149.2	82%	0.822	80%	0.804	S	S	*	*			trans	-125.5	-177.6	-163.7	-56.6	-167.8	106.2	0	0	115.3
1103	E	22.8	Very low	26.7	Very low	182 Å²	182	149 Å²	149	85%	0.85	81%	0.811	S	S	*	*			trans	72.1	158	166.2	-58.5	178.5	157.5	0	0	117.4
1104	E	27.4	Very low	26.7	Very low	182 Å²	182	145.4 Å²	145.4	85%	0.85	81%	0.809	S	S	*	*			cis	-144.9	-159.8	8.3	-147.6	177.2	-167.3	0	0	112.4
1105	E	24	Very low	26.4	Very low	195 Å²	195	145.3 Å²	145.3	91%	0.911	82%	0.816	S	S	*	*			trans	-102.5	-168	-161.8	-63.2	-162.3	129.9	0	0	119
1106	D	24.4	Very low	26.4	Very low	159 Å²	159	142.9 Å²	142.9	85%	0.85	82%	0.818	S	S	*	*			trans	-72.3	152.2	-162.8	-74.2	-46.8	0	0	0	118.7
1107	E	25.6	Very low	26.5	Very low	195 Å²	195	140.4 Å²	140.4	91%	0.911	81%	0.811	S	S	*	*			trans	-161.5	-176.3	131.4	-124.6	-170.3	-170.7	0	0	115.3
1108	I	26.3	Very low	26.7	Very low	146 Å²	146	143.6 Å²	143.6	75%	0.749	82%	0.819	S	S	*	*			trans	-133.4	118.9	-149.9	-62.2	179.2	0	0	0	117.1
1109	S	22.9	Very low	27	Very low	109 Å²	109	143 Å²	143	76%	0.762	81%	0.812	S	S	*	*			trans	67.2	174.4	151.8	-57.6	0	0	0	0	119.7
1110	P	34.4	Very low	27.5	Very low	114 Å²	114	139.1 Å²	139.1	74%	0.74	80%	0.797	S	S	*	*			cis	-133.8	162.7	-10.1	30	-8	0	0	0	118.6
1111	L	27.9	Very low	28.3	Very low	160 Å²	160	135.8 Å²	135.8	84%	0.838	79%	0.787	S	S	*	*			trans	77	131.8	144.7	-112.1	83.4	0	0	0	126
1112	S	26.9	Very low	29	Very low	106 Å²	106	130.9 Å²	130.9	74%	0.741	77%	0.773	S	S	*	*			trans	77.3	150	149.5	84.4	0	0	0	0	118.6
1113	L	29.4	Very low	29.9	Very low	175 Å²	175	131.9 Å²	131.9	92%	0.916	77%	0.77	S	S	*	*			cis	-149.1	152.9	1.7	-163.9	77.8	0	0	0	111.4
1114	G	28.1	Very low	31.1	Very low	75 Å²	75	127.3 Å²	127.3	77%	0.773	75%	0.75	S	S	*	*			trans	119.8	121.6	148.1	0	0	0	0	0	118.7
1115	G	26	Very low	32	Very low	77 Å²	77	125 Å²	125	79%	0.794	74%	0.743	S	S	*	*			trans	109.7	119	153.4	0	0	0	0	0	118.5
1116	A	29	Very low	32.6	Very low	96 Å²	96	123.4 Å²	123.4	79%	0.793	73%	0.728	S	S	*	*			trans	48	90.4	153.3	0	0	0	0	0	119.9
1117	N	30.6	Very low	33.6	Very low	132 Å²	132	120.2 Å²	120.2	71%	0.706	71%	0.71	S	S	*	*			trans	-157	42.1	149.7	-116.1	-56.5	0	0	0	116.5	G1119 I1120	N1117-G1119 PolarHBondContact O-N 2.94Å; N1117-I1120 WeakPolarHBondContact OD1-CD1 3.41Å
1118	M	29.7	Very low	34.6	Very low	202 Å²	202	119.6 Å²	119.6	100%	0.995	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	111.2	162.3	-80.4	172.3	64	0	0	109.7
1119	G	32.6	Very low	35.5	Very low	62 Å²	62	114.2 Å²	114.2	64%	0.639	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	161	-16.4	174.9	0	0	0	0	0	117.1	N1117	N1117-G1119 PolarHBondContact O-N 2.94Å
1120	I	37.8	Very low	36.8	Very low	100 Å²	100	110.7 Å²	110.7	51%	0.513	65%	0.654	S	S	.	*	H	α-helix	trans	-85.2	-30.7	-171.3	-62.5	179.1	0	0	0	113.4	N1117 G1122 R1123 I1124	N1117-I1120 WeakPolarHBondContact OD1-CD1 3.41Å; I1120-G1122 PolarHBondContact O-N 2.93Å; I1120-R1123 PolarHBondContact O-N 3.08Å; I1120-I1124 HydrophobicContact CG2-CD1 3.88Å; I1120-I1124 HydrophobicContact CG2-CG1 4.45Å; I1120-I1124 PolarHBondContact O-N 3.34Å
1121	G	39.6	Very low	37.1	Very low	50 Å²	50	108.5 Å²	108.5	52%	0.515	64%	0.636	S	S	.	*	H	α-helix	trans	-59.8	-46.2	-173.4	0	0	0	0	0	114.9	R1123 I1124 L1125	G1121-R1123 PolarHBondContact O-N 2.63Å; G1121-I1124 PolarHBondContact O-N 3Å; G1121-L1125 PolarHBondContact O-N 2.66Å
1122	G	40.8	Very low	37.9	Very low	55 Å²	55	109.8 Å²	109.8	57%	0.567	63%	0.63	S	S	*	*	H	α-helix	trans	-62.1	-39.6	-178.1	0	0	0	0	0	113.5	I1120 I1124 L1125 W1126	I1120-G1122 PolarHBondContact O-N 2.93Å; G1122-I1124 VanDerWaalsContact C-N 3.33Å; G1122-I1124 PolarHBondContact O-N 2.83Å; G1122-L1125 PolarHBondContact O-N 2.83Å; G1122-W1126 PolarHBondContact O-N 2.65Å
1123	R	41.5	Very low	38.9	Very low	198 Å²	198	109.4 Å²	109.4	75%	0.747	62%	0.619	S	S	*	*	H	α-helix	trans	-62.1	-39.3	176.2	-80	-174.6	166.4	-170	-4.2	112	I1120 G1121 W1126 I1127	I1120-R1123 PolarHBondContact O-N 3.08Å; G1121-R1123 PolarHBondContact O-N 2.63Å; R1123-W1126 PolarHBondContact O-N 3.45Å; R1123-I1127 VanDerWaalsContact O-CB 3.25Å; R1123-I1127 WeakPolarHBondContact O-CB 3.46Å; R1123-I1127 WeakPolarHBondContact O-CD1 3.43Å; R1123-I1127 WeakPolarHBondContact O-CG1 3.27Å; R1123-I1127 PolarHBondContact O-N 2.99Å
1124	I	47.6	Very low	39.7	Very low	86 Å²	86	104.3 Å²	104.3	44%	0.441	59%	0.59	S	S	.	*	H	α-helix	trans	-67.8	-37.5	179.5	-65.8	173.8	0	0	0	111.4	I1120 G1121 G1122 R1128	I1120-I1124 HydrophobicContact CG2-CD1 3.88Å; I1120-I1124 HydrophobicContact CG2-CG1 4.45Å; I1120-I1124 PolarHBondContact O-N 3.34Å; G1121-I1124 PolarHBondContact O-N 3Å; G1122-I1124 VanDerWaalsContact C-N 3.33Å; G1122-I1124 PolarHBondContact O-N 2.83Å; I1124-R1128 WeakPolarHBondContact O-CB 3.42Å; I1124-R1128 VanDerWaalsContact O-CG 3.29Å; I1124-R1128 WeakPolarHBondContact O-CG 3.16Å; I1124-R1128 PolarHBondContact O-N 3.43Å
1125	L	46.1	Very low	40.6	Very low	132 Å²	132	104.6 Å²	104.6	69%	0.691	58%	0.577	S	S	*	*	H	α-helix	trans	-66.2	-46.3	175.2	-93.1	161.1	0	0	0	112.3	G1121 G1122 R1128 G1129	G1121-L1125 PolarHBondContact O-N 2.66Å; G1122-L1125 PolarHBondContact O-N 2.83Å; L1125-R1128 PolarHBondContact O-N 2.58Å; L1125-G1129 PolarHBondContact O-N 3Å
1126	W	38	Very low	41.4	Very low	162 Å²	162	106.5 Å²	106.5	61%	0.614	57%	0.565	S	S	*	*	H	α-helix	trans	-66.8	-42	178	-164.1	77.6	0	0	0	112.3	G1122 R1123 R1128 G1129 V1130	G1122-W1126 PolarHBondContact O-N 2.65Å; R1123-W1126 PolarHBondContact O-N 3.45Å; W1126-R1128 VanDerWaalsContact C-N 3.29Å; W1126-R1128 PolarHBondContact O-N 3.2Å; W1126-G1129 PolarHBondContact O-N 3.39Å; W1126-G1129 VanDerWaalsContact O-N 3.1Å; W1126-V1130 HydrophobicContact CD2-CG2 4.03Å; W1126-V1130 HydrophobicContact CE3-CG2 4.28Å; W1126-V1130 HydrophobicContact CH2-CG2 4.27Å; W1126-V1130 HydrophobicContact CZ2-CG2 4.01Å; W1126-V1130 HydrophobicContact CZ3-CG2 4.4Å; W1126-V1130 PolarHBondContact O-N 2.97Å
1127	I	45.8	Very low	42.2	Very low	92 Å²	92	105.9 Å²	105.9	47%	0.472	55%	0.547	S	S	.	.	H	α-helix	trans	-58.7	-40.9	172.7	-72	166.9	0	0	0	110.8	R1123 N1131	R1123-I1127 VanDerWaalsContact O-CB 3.25Å; R1123-I1127 WeakPolarHBondContact O-CB 3.46Å; R1123-I1127 WeakPolarHBondContact O-CD1 3.43Å; R1123-I1127 WeakPolarHBondContact O-CG1 3.27Å; R1123-I1127 PolarHBondContact O-N 2.99Å; I1127-N1131 VanDerWaalsContact O-CB 3.24Å; I1127-N1131 WeakPolarHBondContact O-CB 3.33Å; I1127-N1131 PolarHBondContact O-N 3.05Å; I1127-N1131 PolarHBondContact O-ND2 3.46Å
1128	R	45.3	Very low	42.8	Very low	182 Å²	182	105.7 Å²	105.7	69%	0.687	54%	0.54	S	S	*	.	H	α-helix	trans	-67.7	-39	173.7	-76.7	177.7	113.4	112.9	-2.7	112.3	I1124 L1125 W1126 R1132	I1124-R1128 WeakPolarHBondContact O-CB 3.42Å; I1124-R1128 VanDerWaalsContact O-CG 3.29Å; I1124-R1128 WeakPolarHBondContact O-CG 3.16Å; I1124-R1128 PolarHBondContact O-N 3.43Å; L1125-R1128 PolarHBondContact O-N 2.58Å; W1126-R1128 VanDerWaalsContact C-N 3.29Å; W1126-R1128 PolarHBondContact O-N 3.2Å; R1128-R1132 WeakPolarHBondContact O-CB 3.38Å; R1128-R1132 PolarHBondContact O-N 3.4Å
1129	G	46.3	Very low	43.4	Very low	34 Å²	34	99.6 Å²	99.6	35%	0.351	51%	0.514	S	S	.	.	H	α-helix	trans	-60.1	-56.7	176	0	0	0	0	0	112.4	L1125 W1126 N1131 R1132 I1133	L1125-G1129 PolarHBondContact O-N 3Å; W1126-G1129 PolarHBondContact O-N 3.39Å; W1126-G1129 VanDerWaalsContact O-N 3.1Å; G1129-N1131 PolarHBondContact O-N 3.36Å; G1129-R1132 WeakPolarHBondContact O-CB 3.19Å; G1129-R1132 PolarHBondContact O-N 3.47Å; G1129-R1132 VanDerWaalsContact O-N 3.09Å; G1129-I1133 PolarHBondContact O-N 3.39Å
1130	V	48.6	Very low	43.9	Very low	34 Å²	34	100.2 Å²	100.2	21%	0.206	51%	0.505	C	S	.	.	H	α-helix	trans	-65.4	-39.2	-179.4	-179.1	0	0	0	0	111.6	Y365 W1126 R1132 I1133 Q1134	Y365-V1130 HydrophobicContact CE1-CG1 4.45Å; W1126-V1130 HydrophobicContact CD2-CG2 4.03Å; W1126-V1130 HydrophobicContact CE3-CG2 4.28Å; W1126-V1130 HydrophobicContact CH2-CG2 4.27Å; W1126-V1130 HydrophobicContact CZ2-CG2 4.01Å; W1126-V1130 HydrophobicContact CZ3-CG2 4.4Å; W1126-V1130 PolarHBondContact O-N 2.97Å; V1130-R1132 VanDerWaalsContact C-N 3.33Å; V1130-R1132 PolarHBondContact O-N 3.39Å; V1130-I1133 PolarHBondContact O-N 2.97Å; V1130-Q1134 PolarHBondContact O-N 3.28Å
1131	N	42.2	Very low	44	Very low	68 Å²	68	98.6 Å²	98.6	36%	0.364	50%	0.497	S	S	.	.	H	α-helix	trans	-67.2	-31.8	172.7	-82.4	-89.8	0	0	0	112.6	I1127 G1129 T1135	I1127-N1131 VanDerWaalsContact O-CB 3.24Å; I1127-N1131 WeakPolarHBondContact O-CB 3.33Å; I1127-N1131 PolarHBondContact O-N 3.05Å; I1127-N1131 PolarHBondContact O-ND2 3.46Å; G1129-N1131 PolarHBondContact O-N 3.36Å; N1131-T1135 WeakPolarHBondContact O-CB 3.31Å; N1131-T1135 PolarHBondContact O-N 2.94Å; N1131-T1135 PolarHBondContact O-OG1 2.98Å
1132	R	44	Very low	43.9	Very low	187 Å²	187	99.1 Å²	99.1	71%	0.706	50%	0.497	S	S	*	.	H	α-helix	trans	-68.3	-40.6	175.4	-166.6	176.1	-165	175.3	3.1	110.7	R1128 G1129 V1130 T1135 Q1136	R1128-R1132 WeakPolarHBondContact O-CB 3.38Å; R1128-R1132 PolarHBondContact O-N 3.4Å; G1129-R1132 WeakPolarHBondContact O-CB 3.19Å; G1129-R1132 PolarHBondContact O-N 3.47Å; G1129-R1132 VanDerWaalsContact O-N 3.09Å; V1130-R1132 VanDerWaalsContact C-N 3.33Å; V1130-R1132 PolarHBondContact O-N 3.39Å; R1132-T1135 PolarHBondContact O-N 3.24Å; R1132-Q1136 WeakPolarHBondContact O-CB 3.14Å; R1132-Q1136 WeakPolarHBondContact O-CG 3.45Å; R1132-Q1136 PolarHBondContact O-N 3.48Å
1133	I	48.5	Very low	43.6	Very low	99 Å²	99	103.1 Å²	103.1	51%	0.508	50%	0.499	S	S	.	.	H	α-helix	trans	-64.5	-51.4	172.7	-65.6	166.7	0	0	0	110.6	G1129 V1130 T1135 Q1136 M1137	G1129-I1133 PolarHBondContact O-N 3.39Å; V1130-I1133 PolarHBondContact O-N 2.97Å; I1133-T1135 VanDerWaalsContact C-N 3.28Å; I1133-T1135 PolarHBondContact O-N 3.34Å; I1133-Q1136 CarbonylContact O-C 3.58Å; I1133-Q1136 WeakPolarHBondContact O-CA 3.38Å; I1133-Q1136 PolarHBondContact O-N 3.03Å; I1133-Q1136 VanDerWaalsContact O-N 3.08Å; I1133-M1137 HydrophobicContact CG2-SD 4.26Å; I1133-M1137 WeakPolarHBondContact O-CG 3.41Å; I1133-M1137 PolarHBondContact O-N 3.34Å
1134	Q	46.1	Very low	43.3	Very low	68 Å²	68	100.3 Å²	100.3	32%	0.318	49%	0.488	S	S	.	.	H	α-helix	trans	-64.7	-28.6	177.3	-76.8	-170.1	-18.4	0	0	113.7	V1130 K1138	V1130-Q1134 PolarHBondContact O-N 3.28Å; Q1134-K1138 WeakPolarHBondContact O-CB 2.8Å; Q1134-K1138 WeakPolarHBondContact O-CG 3.44Å; Q1134-K1138 PolarHBondContact O-N 3.12Å
1135	T	46.4	Very low	42.7	Very low	80 Å²	80	103.7 Å²	103.7	49%	0.491	50%	0.504	S	S	.	.	H	α-helix	trans	-76.2	-35	172.4	-55	0	0	0	0	110.8	N1131 R1132 I1133 K1138 V1139	N1131-T1135 WeakPolarHBondContact O-CB 3.31Å; N1131-T1135 PolarHBondContact O-N 2.94Å; N1131-T1135 PolarHBondContact O-OG1 2.98Å; R1132-T1135 PolarHBondContact O-N 3.24Å; I1133-T1135 VanDerWaalsContact C-N 3.28Å; I1133-T1135 PolarHBondContact O-N 3.34Å; T1135-K1138 CarbonylContact O-C 3.49Å; T1135-K1138 PolarHBondContact O-N 2.69Å; T1135-V1139 WeakPolarHBondContact O-CB 3.42Å; T1135-V1139 VanDerWaalsContact O-CG2 3.22Å; T1135-V1139 WeakPolarHBondContact O-CG2 3.49Å; T1135-V1139 PolarHBondContact O-N 3.3Å
1136	Q	42.8	Very low	41.9	Very low	117 Å²	117	99.9 Å²	99.9	55%	0.547	50%	0.496	S	S	.	.	H	α-helix	trans	-67.7	-39.9	170.9	-79.3	178.9	-55.8	0	0	111.6	R1132 I1133 V1139 V1140	R1132-Q1136 WeakPolarHBondContact O-CB 3.14Å; R1132-Q1136 WeakPolarHBondContact O-CG 3.45Å; R1132-Q1136 PolarHBondContact O-N 3.48Å; I1133-Q1136 CarbonylContact O-C 3.58Å; I1133-Q1136 WeakPolarHBondContact O-CA 3.38Å; I1133-Q1136 PolarHBondContact O-N 3.03Å; I1133-Q1136 VanDerWaalsContact O-N 3.08Å; Q1136-V1139 CarbonylContact O-C 3.54Å; Q1136-V1139 PolarHBondContact O-N 3.12Å; Q1136-V1139 VanDerWaalsContact O-N 3.13Å; Q1136-V1140 WeakPolarHBondContact O-CB 3.35Å; Q1136-V1140 VanDerWaalsContact O-CG2 3.3Å; Q1136-V1140 WeakPolarHBondContact O-CG2 3.5Å; Q1136-V1140 PolarHBondContact O-N 2.82Å
1137	M	47	Very low	41.5	Very low	84 Å²	84	96 Å²	96	41%	0.414	49%	0.488	S	S	.	.	H	α-helix	trans	-59.5	-50.3	169.3	-67.7	176.1	79.3	0	0	110.1	I1133 V1139 V1140 D1141	I1133-M1137 HydrophobicContact CG2-SD 4.26Å; I1133-M1137 WeakPolarHBondContact O-CG 3.41Å; I1133-M1137 PolarHBondContact O-N 3.34Å; M1137-V1139 PolarHBondContact O-N 3.03Å; M1137-V1139 VanDerWaalsContact O-N 3.12Å; M1137-V1140 CarbonylContact O-C 3.53Å; M1137-V1140 PolarHBondContact O-N 3.02Å; M1137-V1140 VanDerWaalsContact O-N 3.11Å; M1137-D1141 WeakPolarHBondContact O-CB 3.31Å; M1137-D1141 VanDerWaalsContact O-CG 3.29Å; M1137-D1141 PolarHBondContact O-N 3.32Å
1138	K	42.2	Very low	40.7	Very low	128 Å²	128	94.2 Å²	94.2	56%	0.557	49%	0.491	S	S	*	.	H	α-helix	trans	-63.8	-17.7	174.3	-76.9	179.3	176.8	174	0	115.2	Q1134 T1135 A1142	Q1134-K1138 WeakPolarHBondContact O-CB 2.8Å; Q1134-K1138 WeakPolarHBondContact O-CG 3.44Å; Q1134-K1138 PolarHBondContact O-N 3.12Å; T1135-K1138 CarbonylContact O-C 3.49Å; T1135-K1138 PolarHBondContact O-N 2.69Å; K1138-A1142 WeakPolarHBondContact O-CB 3.45Å; K1138-A1142 PolarHBondContact O-N 3.03Å; K1138-A1142 VanDerWaalsContact O-N 3.09Å
1139	V	42.7	Very low	40.1	Very low	74 Å²	74	87 Å²	87	45%	0.448	47%	0.468	S	S	.	.	H	α-helix	trans	-88.6	-36.5	172.3	165.2	0	0	0	0	111.1	T1135 Q1136 M1137 A1142 F1143	T1135-V1139 WeakPolarHBondContact O-CB 3.42Å; T1135-V1139 VanDerWaalsContact O-CG2 3.22Å; T1135-V1139 WeakPolarHBondContact O-CG2 3.49Å; T1135-V1139 PolarHBondContact O-N 3.3Å; Q1136-V1139 CarbonylContact O-C 3.54Å; Q1136-V1139 PolarHBondContact O-N 3.12Å; Q1136-V1139 VanDerWaalsContact O-N 3.13Å; M1137-V1139 PolarHBondContact O-N 3.03Å; M1137-V1139 VanDerWaalsContact O-N 3.12Å; V1139-A1142 CarbonylContact O-C 3.48Å; V1139-A1142 PolarHBondContact O-N 2.79Å; V1139-F1143 HydrophobicContact CG1-CD2 4.4Å; V1139-F1143 WeakPolarHBondContact O-CB 3.48Å; V1139-F1143 PolarHBondContact O-N 2.87Å
1140	V	43.2	Very low	39.5	Very low	74 Å²	74	92.7 Å²	92.7	45%	0.448	49%	0.485	S	S	.	.	H	α-helix	trans	-68.8	-39.4	172.8	167.4	0	0	0	0	110.6	Q1136 M1137 F1143 R1144	Q1136-V1140 WeakPolarHBondContact O-CB 3.35Å; Q1136-V1140 VanDerWaalsContact O-CG2 3.3Å; Q1136-V1140 WeakPolarHBondContact O-CG2 3.5Å; Q1136-V1140 PolarHBondContact O-N 2.82Å; M1137-V1140 CarbonylContact O-C 3.53Å; M1137-V1140 PolarHBondContact O-N 3.02Å; M1137-V1140 VanDerWaalsContact O-N 3.11Å; V1140-F1143 WeakPolarHBondContact O-CB 3.36Å; V1140-F1143 PolarHBondContact O-N 3.1Å; V1140-R1144 WeakPolarHBondContact O-CB 3.46Å; V1140-R1144 VanDerWaalsContact O-CG 3.28Å; V1140-R1144 WeakPolarHBondContact O-CG 3.4Å; V1140-R1144 PolarHBondContact O-N 3.29Å
1141	D	39.3	Very low	38.5	Very low	66 Å²	66	97.2 Å²	97.2	35%	0.353	51%	0.507	S	S	.	.	H	α-helix	trans	-73.9	-31.1	172	-64.2	-33.1	0	0	0	111.7	M1137 F1143 M1145	M1137-D1141 WeakPolarHBondContact O-CB 3.31Å; M1137-D1141 VanDerWaalsContact O-CG 3.29Å; M1137-D1141 PolarHBondContact O-N 3.32Å; D1141-F1143 VanDerWaalsContact C-N 3.29Å; D1141-M1145 WeakPolarHBondContact O-CA 3.24Å; D1141-M1145 WeakPolarHBondContact O-CB 3.34Å; D1141-M1145 WeakPolarHBondContact O-CG 3.35Å; D1141-M1145 PolarHBondContact O-N 3.03Å
1142	A	38.2	Very low	38	Very low	61 Å²	61	99.2 Å²	99.2	50%	0.504	52%	0.517	S	S	.	.	H	α-helix	trans	-74.6	-16.4	168	0	0	0	0	0	113.5	K1138 V1139 G1146	K1138-A1142 WeakPolarHBondContact O-CB 3.45Å; K1138-A1142 PolarHBondContact O-N 3.03Å; K1138-A1142 VanDerWaalsContact O-N 3.09Å; V1139-A1142 CarbonylContact O-C 3.48Å; V1139-A1142 PolarHBondContact O-N 2.79Å; A1142-G1146 WeakPolarHBondContact O-CA 3.43Å; A1142-G1146 PolarHBondContact O-N 3.36Å; A1142-G1146 VanDerWaalsContact O-N 3.07Å
1143	F	34	Very low	37.3	Very low	140 Å²	140	94.6 Å²	94.6	61%	0.614	51%	0.507	S	S	*	.	H	α-helix	trans	-80.1	-49.8	166	-106.8	-95.3	0	0	0	110.3	V1139 V1140 D1141 M1145 G1146	V1139-F1143 HydrophobicContact CG1-CD2 4.4Å; V1139-F1143 WeakPolarHBondContact O-CB 3.48Å; V1139-F1143 PolarHBondContact O-N 2.87Å; V1140-F1143 WeakPolarHBondContact O-CB 3.36Å; V1140-F1143 PolarHBondContact O-N 3.1Å; D1141-F1143 VanDerWaalsContact C-N 3.29Å; F1143-M1145 PolarHBondContact O-N 3.14Å; F1143-G1146 PolarHBondContact O-N 3.47Å
1144	R	34.3	Very low	36.4	Very low	138 Å²	138	96 Å²	96	52%	0.521	51%	0.511	S	S	.	.	H	α-helix	trans	-67.3	-34.4	179.7	-72.2	168.1	159.5	-148.5	-12.9	113.8	V1140	V1140-R1144 WeakPolarHBondContact O-CB 3.46Å; V1140-R1144 VanDerWaalsContact O-CG 3.28Å; V1140-R1144 WeakPolarHBondContact O-CG 3.4Å; V1140-R1144 PolarHBondContact O-N 3.29Å
1145	M	35	Very low	35.5	Very low	158 Å²	158	100.6 Å²	100.6	78%	0.778	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	7.8	169.9	-56	-172.4	171.4	0	0	112.4	D1141 F1143 L1147	D1141-M1145 WeakPolarHBondContact O-CA 3.24Å; D1141-M1145 WeakPolarHBondContact O-CB 3.34Å; D1141-M1145 WeakPolarHBondContact O-CG 3.35Å; D1141-M1145 PolarHBondContact O-N 3.03Å; F1143-M1145 PolarHBondContact O-N 3.14Å; M1145-L1147 PolarHBondContact O-N 3.26Å; M1145-L1147 VanDerWaalsContact O-N 3.11Å
1146	G	29.7	Very low	34.5	Very low	51 Å²	51	107.9 Å²	107.9	53%	0.526	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.4	0.5	173.8	0	0	0	0	0	113.9	A1142 F1143	A1142-G1146 WeakPolarHBondContact O-CA 3.43Å; A1142-G1146 PolarHBondContact O-N 3.36Å; A1142-G1146 VanDerWaalsContact O-N 3.07Å; F1143-G1146 PolarHBondContact O-N 3.47Å
1147	L	29.2	Very low	33.8	Very low	82 Å²	82	111 Å²	111	43%	0.429	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.5	25	-169	-52.1	-177.7	0	0	0	112.9	Q86 S280 M1145 P1149	Q86-L1147 PolarHBondContact NE2-O 3.3Å; Q86-L1147 VanDerWaalsContact NE2-O 3.11Å; S280-L1147 WeakPolarHBondContact O-CD2 3.19Å; M1145-L1147 PolarHBondContact O-N 3.26Å; M1145-L1147 VanDerWaalsContact O-N 3.11Å; L1147-P1149 WeakPolarHBondContact O-CD 3.34Å
1148	G	29.6	Very low	32.7	Very low	53 Å²	53	111.7 Å²	111.7	55%	0.546	57%	0.571	S	S	.	*			trans	-111.6	96.1	179.2	0	0	0	0	0	112.8	H1150	G1148-H1150 PolarHBondContact O-N 3.33Å; G1148-H1150 VanDerWaalsContact O-N 3.14Å
1149	P	33.3	Very low	32	Very low	31 Å²	31	112.8 Å²	112.8	20%	0.201	58%	0.581	C	S	.	*			trans	-77.7	99.7	-177.6	30.6	-34.2	0	0	0	112.4	L1147	L1147-P1149 WeakPolarHBondContact O-CD 3.34Å
1150	H	32.4	Very low	31.4	Very low	154 Å²	154	112.8 Å²	112.8	71%	0.713	60%	0.595	S	S	*	*			trans	-129	96.8	143.9	-87.5	-70.5	0	0	0	106.9	G1148	G1148-H1150 PolarHBondContact O-N 3.33Å; G1148-H1150 VanDerWaalsContact O-N 3.14Å
1151	I	28.5	Very low	30.6	Very low	128 Å²	128	114.1 Å²	114.1	66%	0.656	61%	0.608	S	S	*	*			trans	-130.7	102.1	177.9	-62.8	178.4	0	0	0	106.6
1152	D	31.2	Very low	30.1	Very low	110 Å²	110	118.4 Å²	118.4	59%	0.588	63%	0.63	S	S	*	*			trans	-59.8	134.7	163.8	-59.7	-1.5	0	0	0	107.2	K807 E1154	K807-D1152 IonicContact NZ-OD2 3.21Å; K807-D1152 PolarHBondContact NZ-OD2 2.88Å; D1152-E1154 PolarHBondContact O-N 3.49Å
1153	L	30.3	Very low	29.7	Very low	91 Å²	91	120.6 Å²	120.6	48%	0.476	65%	0.648	S	S	.	*	S	Bend	trans	-72	2.4	-167.5	-95.9	153.4	0	0	0	115.4	S227 I272 H1155	S227-L1153 WeakPolarHBondContact O-CB 3.43Å; I272-L1153 HydrophobicContact CG2-CD1 3.85Å; L1153-H1155 PolarHBondContact O-N 3.48Å
1154	E	28.5	Very low	29.4	Very low	129 Å²	129	123.7 Å²	123.7	60%	0.603	66%	0.662	S	S	*	*			trans	-79.4	77	175.2	-71.5	-149.2	108.1	0	0	113.8	D1152	D1152-E1154 PolarHBondContact O-N 3.49Å
1155	H	26.8	Very low	29	Very low	164 Å²	164	128.3 Å²	128.3	76%	0.759	68%	0.679	S	S	*	*			trans	173.7	84.5	134.9	-92.9	23.8	0	0	0	113.2	L1153	L1153-H1155 PolarHBondContact O-N 3.48Å
1156	R	26.8	Very low	28.7	Very low	232 Å²	232	129.9 Å²	129.9	88%	0.875	69%	0.685	S	S	*	*			trans	-117.3	25.8	157.3	-110.1	-172	-179.6	-160.1	2.2	114.6	S1158	R1156-S1158 PolarHBondContact O-N 3.15Å
1157	R	26.8	Very low	28.6	Very low	183 Å²	183	139 Å²	139	69%	0.691	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	44.5	175.4	-72	-175.3	169.2	-164.3	-8.8	114.3	G230	G230-R1157 PolarHBondContact O-NE 2.86Å; G230-R1157 PolarHBondContact O-NH2 2.87Å
1158	S	25.7	Very low	28.5	Very low	99 Å²	99	144.3 Å²	144.3	69%	0.692	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-157.6	15.3	168	85.2	0	0	0	0	117.7	R1156	R1156-S1158 PolarHBondContact O-N 3.15Å
1159	I	27.3	Very low	28.3	Very low	151 Å²	151	150 Å²	150	77%	0.774	74%	0.744	S	S	*	*			trans	-126.5	59.3	179.7	-48.1	178.8	0	0	0	110.5
1160	G	28.7	Very low	28.3	Very low	73 Å²	73	153.4 Å²	153.4	75%	0.753	77%	0.768	S	S	*	*	S	Bend	trans	-113.1	-9.4	165.2	0	0	0	0	0	113.5
1161	S	27.2	Very low	28.2	Very low	103 Å²	103	151.9 Å²	151.9	72%	0.72	78%	0.775	S	S	*	*	S	Bend	trans	-116.6	57.7	-165.4	62	0	0	0	0	112.9
1162	L	28.3	Very low	28.2	Very low	156 Å²	156	153 Å²	153	82%	0.817	78%	0.78	S	S	*	*	S	Bend	trans	-161.7	-22.6	168.2	-113.3	162.1	0	0	0	114.2	F1164	L1162-F1164 VanDerWaalsContact C-N 3.32Å; L1162-F1164 PolarHBondContact O-N 3.28Å
1163	A	29.4	Very low	28.1	Very low	106 Å²	106	156.4 Å²	156.4	88%	0.876	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-6.7	-177.6	0	0	0	0	0	115.4
1164	F	28.9	Very low	27.9	Very low	206 Å²	206	161.8 Å²	161.8	90%	0.904	81%	0.809	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	30.7	-175.9	-158.7	-99.7	0	0	0	113.2	L1162	L1162-F1164 VanDerWaalsContact C-N 3.32Å; L1162-F1164 PolarHBondContact O-N 3.28Å
1165	R	26.1	Very low	28	Very low	235 Å²	235	162.2 Å²	162.2	89%	0.887	82%	0.819	S	S	*	*	S	Bend	trans	-137	24.8	-174.6	-140.4	178.1	-169	-176.5	3.1	115.7
1166	Q	27.9	Very low	28.1	Very low	191 Å²	191	161.2 Å²	161.2	89%	0.893	82%	0.82	S	S	*	*	S	Bend	trans	-147.2	34.5	178.5	-144.5	171.4	10.3	0	0	115.2
1167	R	27.2	Very low	28.4	Very low	243 Å²	243	154.2 Å²	154.2	92%	0.917	81%	0.811	S	S	*	*	S	Bend	trans	-139.3	150.9	156.2	-82.8	-172.1	174.8	177.3	-1.3	108.3
1168	Q	27.1	Very low	28.7	Very low	193 Å²	193	153.5 Å²	153.5	90%	0.902	82%	0.821	S	S	*	*			trans	60.5	100	-170.1	-65.8	177.3	-34.5	0	0	114.1
1169	N	26.9	Very low	29.1	Very low	172 Å²	172	153.1 Å²	153.1	92%	0.92	83%	0.825	S	S	*	*			trans	-150.1	89	151.2	-155.3	35.3	0	0	0	108.3
1170	S	31.7	Very low	29.5	Very low	103 Å²	103	150.9 Å²	150.9	72%	0.72	82%	0.82	S	S	*	*			trans	-160.7	131.4	179	54.1	0	0	0	0	109.2
1171	S	31.9	Very low	29.7	Very low	122 Å²	122	154.2 Å²	154.2	85%	0.853	82%	0.82	S	S	*	*			trans	71	90.8	173.5	-50.4	0	0	0	0	117.4
1172	I	28.1	Very low	29.9	Very low	150 Å²	150	158.2 Å²	158.2	77%	0.769	83%	0.827	S	S	*	*			trans	-33.3	143.8	135.5	-67.1	154.2	0	0	0	110.1
1173	E	28.8	Very low	30.1	Very low	182 Å²	182	160.3 Å²	160.3	85%	0.85	86%	0.855	S	S	*	*				-161.1	174.7	75.1	-155.9	142.3	-125.8	0	0	115.3
1174	Y	25.8	Very low	30.1	Very low	205 Å²	205	163 Å²	163	80%	0.804	85%	0.854	S	S	*	*			trans	-90.2	161.5	-175.6	-82.8	-108	0	0	0	113.4
1175	V	31.3	Very low	30.2	Very low	137 Å²	137	160.7 Å²	160.7	83%	0.83	85%	0.852	S	S	*	*				178.7	150.2	114.4	149.9	0	0	0	0	110.2
1176	D	28.3	Very low	30.4	Very low	143 Å²	143	156.6 Å²	156.6	77%	0.765	85%	0.85	S	S	*	*			trans	-77.5	162.4	-176.9	-49	-91.3	0	0	0	114.7
1177	A	31.9	Very low	30.5	Very low	85 Å²	85	154.6 Å²	154.6	70%	0.702	85%	0.847	S	S	*	*				174	127	118	0	0	0	0	0	113.8
1178	D	33.5	Very low	30.8	Very low	168 Å²	168	149.1 Å²	149.1	90%	0.898	84%	0.843	S	S	*	*			trans	58.6	178.7	143.8	-56.3	-30.4	0	0	0	122.2
1179	A	34.1	Very low	31	Very low	92 Å²	92	146.1 Å²	146.1	76%	0.76	84%	0.839	S	S	*	*			trans	-153.3	-166.7	-160.5	0	0	0	0	0	109.3
1180	P	37.3	Very low	31.3	Very low	104 Å²	104	144.3 Å²	144.3	68%	0.675	83%	0.833	S	S	*	*			cis	-130.7	-154.4	-13.8	29	-3.8	0	0	0	112.3
1181	D	31.9	Very low	31.3	Very low	143 Å²	143	147.5 Å²	147.5	77%	0.765	84%	0.842	S	S	*	*			trans	96.3	134	149.3	-60	-22.6	0	0	0	123.5
1182	E	31.2	Very low	31.2	Very low	186 Å²	186	149.6 Å²	149.6	87%	0.869	84%	0.841	S	S	*	*			trans	40.5	98.4	155.4	-58.1	-168.1	155	0	0	122.2
1183	S	32.2	Very low	31.5	Very low	200 Å²	200	149.5 Å²	149.5	100%	1.399	85%	0.847	S	S	*	*				-161.4	0	123.5	10.2	0	0	0	0	112

Retrieved 1,183 of 1,183 residues in 649.2 ms (Link to these results)

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