A0A3Q0KLZ0_SCHMA Loading...

Anillin domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KLZ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 915 aa.

						>A0A3Q0KLZ0_SCHMA|A0A3Q0KLZ0
MSHLSWNLNRKHFKVPKPKLADPTLPPLPPSKIKSSDPKLQQDLERFYKIRAAACRILSIAQNPLQRLDAAKTLLVSHAQLLSCMRLVQREKVEDAKHANKTLSDTLLKEASIFNGTILRKSCFAKPGYAQLCLSDIRIPLIWRNIAPGTNMHLTMQQLFPTSSIVSGLLPAVVNASGDNADYSDSGEQCDGYSLFCTIQVGHLIRDTRLIFDIKPGTADIEFNDKWTFDDVTSEFECIIEIYAFPKGGSKNNSLFSKRRILPIYDGVRRSSDQHVVNSDSSINQNSSQYFDLIGRCVATLKDVQNKVSSHTLEMGNQLVYSRECKNSSLSVSNSTTIHRNSLFNDQSNETSEICDLPLFGNICYRLIAQPHSAKLPLKSGYLWIRKLTPSPIQTPMMLYRCELRDRYLWCTLINTSHNEGSSHEFSSSLRQNNQVSKCDDLGTGSCSNPTGINSENFNQNHEMFIPPKEHSHENDFLKNLTSSFPTVDLSRNNLSAQKQFDHTSVSCSLGSGINRNLLSSYNCHADLIIPIHTETDFLDSQLVLRQTELSVSQRTNESSNISGNDFNKSNECSISSPKDDKPNSDVKCHHADVNYVSLDNKRIFSAIDVSCLSNSSSSNDQSYTTQSFFSANKPGLLNYQSVDNILDLSKTEHFVHFRGKTNILKSLSNNVLSQFEAASITKSNGSSPSVKKFMSTSKSSLSPIRKHFNEPSISPVDSRKRYNRVSRSVEPVRRIFPKVTTVYKMDTSSLFDLTKLRELQYLTQHSSKASSFISVNDSNKDNKIFCHQPCVFSSQLLTFRIATCHLDRNVSSTIHHLSELRKNGSSVEVFEFTATQMMENDLDQLNESSTVFKSDEEETIAWFSIMKKHVQEQEIWGSEAFSENIIIPKSKSNSIRNTSARRSVAIPSDISILT
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31	Very low	26.7	Very low	236 Å²	236	166.5 Å²	166.5	100%	1.163	81%	0.814	S	S	*	*				0	147.2	0	-70.4	149.3	81	0	0	108.4
2	S	32.1	Very low	26.7	Very low	114 Å²	114	166.9 Å²	166.9	80%	0.797	81%	0.812	S	S	*	*			trans	38.3	103.6	171.3	55.6	0	0	0	0	118.4	L4	S2-L4 PolarHBondContact O-N 3.27Å
3	H	25	Very low	26.5	Very low	181 Å²	181	169.6 Å²	169.6	84%	0.838	82%	0.818	S	S	*	*			trans	-56.8	134.6	165	-84.8	-117.1	0	0	0	111.8
4	L	26.1	Very low	26.3	Very low	160 Å²	160	170.6 Å²	170.6	84%	0.838	82%	0.816	S	S	*	*			trans	-111	85.8	152.4	-87.7	167.6	0	0	0	108.3	S2 W6	S2-L4 PolarHBondContact O-N 3.27Å; L4-W6 PolarHBondContact O-N 3.17Å
5	S	26.4	Very low	26.1	Very low	87 Å²	87	166.4 Å²	166.4	61%	0.608	81%	0.806	S	S	*	*			trans	-68.9	122.3	172.1	41.6	0	0	0	0	109.6	N7	S5-N7 PolarHBondContact O-N 3.37Å
6	W	23.8	Very low	25.9	Very low	232 Å²	232	163 Å²	163	88%	0.879	80%	0.801	S	S	*	*			trans	-72.7	75.9	177.1	-83.3	54.5	0	0	0	110.4	L4 L8	L4-W6 PolarHBondContact O-N 3.17Å; W6-L8 VanDerWaalsContact C-N 3.28Å; W6-L8 PolarHBondContact O-N 3.01Å
7	N	23.9	Very low	25.7	Very low	132 Å²	132	164.9 Å²	164.9	71%	0.706	80%	0.804	S	S	*	*			trans	-73.5	87.1	177.5	-142	-23.6	0	0	0	108.1	S5 N9	S5-N7 PolarHBondContact O-N 3.37Å; N7-N9 PolarHBondContact O-N 3.32Å
8	L	26.6	Very low	25.6	Very low	156 Å²	156	161.6 Å²	161.6	82%	0.817	80%	0.797	S	S	*	*			trans	-66.6	65.6	175.4	-92.4	166	0	0	0	110.6	W6 R10	W6-L8 VanDerWaalsContact C-N 3.28Å; W6-L8 PolarHBondContact O-N 3.01Å; L8-R10 PolarHBondContact O-N 2.88Å
9	N	25.6	Very low	25.6	Very low	120 Å²	120	163.7 Å²	163.7	64%	0.642	80%	0.801	S	S	*	*			trans	-57.5	122.3	174.4	-125.2	-48	0	0	0	107.9	N7 K11	N7-N9 PolarHBondContact O-N 3.32Å; N9-K11 PolarHBondContact O-N 2.85Å
10	R	26.3	Very low	25.7	Very low	228 Å²	228	162.6 Å²	162.6	86%	0.86	80%	0.798	S	S	*	*			trans	-68.9	64	174.2	-70.4	-179.7	174.8	176.5	-1.7	110.3	L8 H12	L8-R10 PolarHBondContact O-N 2.88Å; R10-H12 PolarHBondContact O-N 3.17Å
11	K	26.7	Very low	25.7	Very low	185 Å²	185	158.5 Å²	158.5	80%	0.804	79%	0.79	S	S	*	*			trans	-60.5	104.7	163.2	-78.5	-172.5	175.3	-179.5	0	106.1	N9 F13	N9-K11 PolarHBondContact O-N 2.85Å; K11-F13 PolarHBondContact O-N 3.13Å
12	H	27.4	Very low	25.5	Very low	172 Å²	172	150.9 Å²	150.9	80%	0.796	75%	0.754	S	S	*	*			trans	-48.9	113.8	-175.5	-70.2	-98.4	0	0	0	109.9	R10 K14	R10-H12 PolarHBondContact O-N 3.17Å; H12-K14 PolarHBondContact O-N 3.45Å
13	F	24	Very low	25.4	Very low	202 Å²	202	148 Å²	148	89%	0.886	73%	0.733	S	S	*	*			trans	-62.2	88.3	148.9	-107.3	-89.4	0	0	0	106.1	K11 V15	K11-F13 PolarHBondContact O-N 3.13Å; F13-V15 PolarHBondContact O-N 3.27Å
14	K	23	Very low	25.8	Very low	183 Å²	183	144.2 Å²	144.2	80%	0.796	72%	0.723	S	S	*	*			trans	-62.3	81.8	155.3	-90.3	-179.3	172.9	173.9	0	105.6	H12 P16	H12-K14 PolarHBondContact O-N 3.45Å; K14-P16 WeakPolarHBondContact O-CD 3.5Å; K14-P16 VanDerWaalsContact O-N 3.09Å
15	V	23.5	Very low	26.1	Very low	108 Å²	108	142.3 Å²	142.3	66%	0.655	71%	0.713	S	S	*	*			trans	-42.2	119.3	148.3	177.7	0	0	0	0	104.4	F13 K17	F13-V15 PolarHBondContact O-N 3.27Å; V15-K17 PolarHBondContact O-N 3.08Å
16	P	23	Very low	26.8	Very low	112 Å²	112	141.3 Å²	141.3	73%	0.727	70%	0.704	S	S	*	*			trans	-57	109.9	-180	-24.5	34.1	0	0	0	106.8	K14 P18	K14-P16 WeakPolarHBondContact O-CD 3.5Å; K14-P16 VanDerWaalsContact O-N 3.09Å; P16-P18 WeakPolarHBondContact O-CD 3.19Å
17	K	23	Very low	27.9	Very low	196 Å²	196	131.8 Å²	131.8	85%	0.852	67%	0.672	S	S	*	*			trans	-53.4	114.5	170.1	-81	-169.8	174.5	-171.3	0	104.5	V15 K19	V15-K17 PolarHBondContact O-N 3.08Å; K17-K19 PolarHBondContact O-N 3.42Å; K17-K19 VanDerWaalsContact O-N 3.12Å
18	P	23.9	Very low	29.3	Very low	104 Å²	104	130.8 Å²	130.8	68%	0.675	67%	0.666	S	S	*	*			trans	-58	127.5	172.5	-18.5	32	0	0	0	105.3	P16 L20	P16-P18 WeakPolarHBondContact O-CD 3.19Å; P18-L20 HydrophobicContact CB-CB 4.48Å; P18-L20 PolarHBondContact O-N 2.99Å
19	K	24.8	Very low	30.9	Very low	202 Å²	202	125.8 Å²	125.8	88%	0.878	64%	0.643	S	S	*	*			trans	-68.6	80.7	160.2	-76.4	-169.4	174.7	-171.7	0	105.5	K17 A21	K17-K19 PolarHBondContact O-N 3.42Å; K17-K19 VanDerWaalsContact O-N 3.12Å; K19-A21 PolarHBondContact O-N 2.95Å
20	L	28.7	Very low	32.5	Very low	141 Å²	141	120.7 Å²	120.7	74%	0.738	62%	0.616	S	S	*	*			trans	-78.6	49.8	178.1	-161.1	75.2	0	0	0	109.5	P18	P18-L20 HydrophobicContact CB-CB 4.48Å; P18-L20 PolarHBondContact O-N 2.99Å
21	A	24.6	Very low	34.1	Very low	78 Å²	78	114 Å²	114	65%	0.645	61%	0.605	S	S	*	*			trans	-91.3	144.8	160.5	0	0	0	0	0	106.7	K19	K19-A21 PolarHBondContact O-N 2.95Å
22	D	26.9	Very low	35.9	Very low	76 Å²	76	112.4 Å²	112.4	41%	0.406	60%	0.598	S	S	.	*			trans	64.9	94.3	-173.6	-164.9	0.9	0	0	0	116.2	T24	D22-T24 VanDerWaalsContact C-N 3.26Å; D22-T24 PolarHBondContact O-N 3.38Å; D22-T24 WeakPolarHBondContact OD1-CA 3.48Å; D22-T24 WeakPolarHBondContact OD1-CB 3.44Å; D22-T24 VanDerWaalsContact OD1-CG2 3.31Å; D22-T24 WeakPolarHBondContact OD1-CG2 3.47Å; D22-T24 PolarHBondContact OD1-N 2.89Å; D22-T24 PolarHBondContact OD1-OG1 3.2Å; D22-T24 PolarHBondContact OD2-OG1 3.04Å; D22-T24 VanDerWaalsContact OD2-OG1 3.1Å
23	P	30.3	Very low	37.9	Very low	54 Å²	54	105.5 Å²	105.5	35%	0.351	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81	5.5	171.8	35.6	-35.8	0	0	0	114	L25 I283 N284	P23-L25 VanDerWaalsContact C-N 3.33Å; P23-I283 HydrophobicContact CG-CB 3.75Å; P23-I283 HydrophobicContact CG-CG2 3.66Å; P23-I283 WeakPolarHBondContact CG-O 3.5Å; P23-N284 WeakPolarHBondContact CG-OD1 3.33Å
24	T	33.7	Very low	40.3	Very low	100 Å²	100	103.4 Å²	103.4	61%	0.613	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-20.9	170.6	74.7	0	0	0	0	112.4	D22 I283	D22-T24 VanDerWaalsContact C-N 3.26Å; D22-T24 PolarHBondContact O-N 3.38Å; D22-T24 WeakPolarHBondContact OD1-CA 3.48Å; D22-T24 WeakPolarHBondContact OD1-CB 3.44Å; D22-T24 VanDerWaalsContact OD1-CG2 3.31Å; D22-T24 WeakPolarHBondContact OD1-CG2 3.47Å; D22-T24 PolarHBondContact OD1-N 2.89Å; D22-T24 PolarHBondContact OD1-OG1 3.2Å; D22-T24 PolarHBondContact OD2-OG1 3.04Å; D22-T24 VanDerWaalsContact OD2-OG1 3.1Å; T24-I283 HydrophobicContact CG2-CG2 4.38Å
25	L	31.4	Very low	43	Very low	120 Å²	120	95.8 Å²	95.8	63%	0.628	53%	0.527	S	S	*	.	S	Bend	trans	-67.5	126.3	169.8	-77.5	172.5	0	0	0	110.7	P23	P23-L25 VanDerWaalsContact C-N 3.33Å
26	P	40.9	Very low	45.6	Very low	66 Å²	66	94.9 Å²	94.9	43%	0.429	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-65.7	153.5	169.7	30.7	-34.8	0	0	0	109.7	L28 Y48	P26-L28 PolarHBondContact O-N 2.93Å; P26-Y48 HydrophobicContact CB-CE2 3.97Å; P26-Y48 WeakPolarHBondContact CB-OH 3.23Å; P26-Y48 WeakPolarHBondContact CG-OH 3.35Å
27	P	47.7	Very low	48.5	Very low	32 Å²	32	92.9 Å²	92.9	21%	0.208	51%	0.509	C	S	.	.	S	Bend	trans	-54.9	144.3	172.1	25.9	-34.3	0	0	0	109.2	Y48 R51 L81 M85	P27-Y48 HydrophobicContact CG-CD2 4.3Å; P27-Y48 HydrophobicContact CG-CE2 4.25Å; P27-Y48 VanDerWaalsContact O-CE2 3.31Å; P27-Y48 WeakPolarHBondContact O-CE2 3.35Å; P27-R51 VanDerWaalsContact CD-NH1 3.31Å; P27-L81 HydrophobicContact CG-CD2 3.74Å; P27-M85 HydrophobicContact CB-CE 4.35Å; P27-M85 HydrophobicContact CB-SD 4.19Å
28	L	52.9	Low	51.6	Low	112 Å²	112	88.5 Å²	88.5	59%	0.586	50%	0.5	S	S	*	.	S	Bend	trans	-38.1	125.5	-171.7	-76.2	163.1	0	0	0	111.9	P26 K32 I33	P26-L28 PolarHBondContact O-N 2.93Å; L28-K32 HydrophobicContact CD2-CD 4.22Å; L28-I33 HydrophobicContact CB-CD1 4.46Å
29	P	60.3	Low	54.6	Low	50 Å²	50	90.1 Å²	90.1	33%	0.325	50%	0.496	S	S	.	.			trans	-55.1	140.4	-169.4	21.4	-33.7	0	0	0	110.1	S31 K32	P29-S31 PolarHBondContact O-N 3.08Å; P29-K32 PolarHBondContact O-N 3.01Å
30	P	60.1	Low	57.6	Low	13 Å²	13	81.3 Å²	81.3	8%	0.084	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-60.5	-21.5	-162.3	21.4	-34.3	0	0	0	114.1	K32 I33 Q41 L44 E45 Y48	P30-K32 PolarHBondContact O-N 3.33Å; P30-K32 VanDerWaalsContact O-N 3.16Å; P30-I33 CarbonylContact O-C 3.41Å; P30-I33 PolarHBondContact O-N 2.89Å; P30-I33 VanDerWaalsContact O-O 3.05Å; P30-Q41 PolarHBondContact O-NE2 2.99Å; P30-L44 HydrophobicContact CB-CD2 3.7Å; P30-E45 HydrophobicContact CB-CG 3.65Å; P30-E45 HydrophobicContact CG-CG 3.76Å; P30-Y48 HydrophobicContact CG-CD1 4.11Å; P30-Y48 HydrophobicContact CG-CG 4.18Å
31	S	59.4	Low	60.5	Low	89 Å²	89	76 Å²	76	62%	0.622	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-57.5	-22.6	170.1	53.4	0	0	0	0	114.7	P29	P29-S31 PolarHBondContact O-N 3.08Å
32	K	64.9	Low	63.7	Low	151 Å²	151	78.8 Å²	78.8	66%	0.657	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-87.9	-10.5	172.8	-65	-171.3	176.8	-175.3	0	113.6	L28 P29 P30	L28-K32 HydrophobicContact CD2-CD 4.22Å; P29-K32 PolarHBondContact O-N 3.01Å; P30-K32 PolarHBondContact O-N 3.33Å; P30-K32 VanDerWaalsContact O-N 3.16Å
33	I	69.4	Low	66.7	Low	27 Å²	27	77.3 Å²	77.3	14%	0.138	42%	0.422	C	S	.	.			trans	-118	84.4	-179.5	-55.3	178.7	0	0	0	107.9	L28 P30 Q41 L44 M85 V88	L28-I33 HydrophobicContact CB-CD1 4.46Å; P30-I33 CarbonylContact O-C 3.41Å; P30-I33 PolarHBondContact O-N 2.89Å; P30-I33 VanDerWaalsContact O-O 3.05Å; I33-Q41 PolarHBondContact O-NE2 2.88Å; I33-Q41 PolarHBondContact O-OE1 3.13Å; I33-L44 HydrophobicContact CG2-CD1 3.95Å; I33-M85 HydrophobicContact CD1-CE 3.98Å; I33-V88 HydrophobicContact CG2-CB 4.28Å; I33-V88 HydrophobicContact CG2-CG1 3.83Å; I33-V88 HydrophobicContact CG2-CG2 4.45Å
34	K	74.8	Confident	69.6	Low	157 Å²	157	74.9 Å²	74.9	68%	0.683	41%	0.406	S	S	*	.			trans	-78.5	143.1	168.4	-65.3	-172.4	176.6	-173.8	0	111.2	V88 K92	K34-V88 WeakPolarHBondContact O-CG1 3.33Å; K34-K92 WeakPolarHBondContact O-CE 3.26Å; K34-K92 PolarHBondContact O-NZ 3.45Å
35	S	79.3	Confident	72.4	Confident	24 Å²	24	73.1 Å²	73.1	17%	0.168	39%	0.391	C	S	.	.			trans	-115.9	167.8	163.9	39.6	0	0	0	0	110	D37 Q41 E91	S35-D37 PolarHBondContact OG-O 3.05Å; S35-Q41 WeakPolarHBondContact OG-CA 3.45Å; S35-Q41 WeakPolarHBondContact OG-CB 3.29Å; S35-Q41 PolarHBondContact OG-N 2.84Å; S35-Q41 PolarHBondContact OG-OE1 2.8Å; S35-E91 WeakPolarHBondContact CA-OE2 3.25Å; S35-E91 WeakPolarHBondContact CB-OE2 3.49Å
36	S	78.2	Confident	75.4	Confident	89 Å²	89	72 Å²	72	62%	0.622	38%	0.379	S	S	*	.	S	Bend	trans	-86.6	-34.8	172.1	78.3	0	0	0	0	111.4	P38 E91	S36-P38 VanDerWaalsContact O-CD 3.29Å; S36-P38 WeakPolarHBondContact O-CD 3.47Å; S36-E91 WeakPolarHBondContact CA-OE1 3.31Å; S36-E91 VanDerWaalsContact CB-OE1 3.3Å; S36-E91 WeakPolarHBondContact CB-OE1 3.24Å; S36-E91 VanDerWaalsContact N-CD 3.3Å; S36-E91 PolarHBondContact N-OE1 3.1Å; S36-E91 PolarHBondContact N-OE2 3.02Å; S36-E91 PolarHBondContact OG-OE1 2.9Å
37	D	83.9	Confident	77.8	Confident	70 Å²	70	69.8 Å²	69.8	37%	0.374	36%	0.362	S	S	.	.	S	Bend	trans	-72.4	113.2	170.3	173.4	20.3	0	0	0	111.1	S35 K39 L40 Q41 E91	S35-D37 PolarHBondContact OG-O 3.05Å; D37-K39 PolarHBondContact O-N 2.92Å; D37-K39 VanDerWaalsContact OD1-CB 3.28Å; D37-K39 WeakPolarHBondContact OD1-CB 3.33Å; D37-K39 PolarHBondContact OD1-N 3.09Å; D37-L40 HydrophobicContact CB-CB 3.91Å; D37-L40 PolarHBondContact O-N 3.17Å; D37-L40 VanDerWaalsContact OD2-CB 3.29Å; D37-L40 WeakPolarHBondContact OD2-CB 3.36Å; D37-L40 PolarHBondContact OD2-N 2.98Å; D37-Q41 PolarHBondContact O-N 3.13Å; D37-Q41 VanDerWaalsContact O-N 3.09Å; D37-E91 PolarHBondContact N-OE1 3.12Å; D37-E91 VanDerWaalsContact N-OE1 3.11Å
38	P	87.3	Confident	79.9	Confident	103 Å²	103	70.6 Å²	70.6	67%	0.669	36%	0.361	S	S	*	.	H	α-helix	trans	-65.1	-23.9	178.9	28.7	-36.2	0	0	0	112.9	S36 Q42	S36-P38 VanDerWaalsContact O-CD 3.29Å; S36-P38 WeakPolarHBondContact O-CD 3.47Å; P38-Q42 WeakPolarHBondContact O-CB 3.45Å; P38-Q42 PolarHBondContact O-N 2.96Å
39	K	87.8	Confident	81.8	Confident	138 Å²	138	71 Å²	71	60%	0.6	36%	0.359	S	S	*	.	H	α-helix	trans	-75	-44.3	178.2	-171.4	-175.7	175.2	-170.6	0	111	D37 Q41 Q42 D43	D37-K39 PolarHBondContact O-N 2.92Å; D37-K39 VanDerWaalsContact OD1-CB 3.28Å; D37-K39 WeakPolarHBondContact OD1-CB 3.33Å; D37-K39 PolarHBondContact OD1-N 3.09Å; K39-Q41 VanDerWaalsContact C-N 3.3Å; K39-Q41 PolarHBondContact O-N 3.16Å; K39-Q42 PolarHBondContact O-N 2.91Å; K39-D43 PolarHBondContact O-N 3.11Å
40	L	88.2	Confident	83.4	Confident	18 Å²	18	71.2 Å²	71.2	9%	0.094	36%	0.356	C	S	.	.	H	α-helix	trans	-58.4	-41.4	170.7	179.8	56	0	0	0	111.7	D37 L44 C84 L87 V88	D37-L40 HydrophobicContact CB-CB 3.91Å; D37-L40 PolarHBondContact O-N 3.17Å; D37-L40 VanDerWaalsContact OD2-CB 3.29Å; D37-L40 WeakPolarHBondContact OD2-CB 3.36Å; D37-L40 PolarHBondContact OD2-N 2.98Å; L40-L44 VanDerWaalsContact O-CB 3.28Å; L40-L44 WeakPolarHBondContact O-CB 3.42Å; L40-L44 PolarHBondContact O-N 3.17Å; L40-C84 HydrophobicContact CD1-CB 3.9Å; L40-L87 HydrophobicContact CD1-CB 4.02Å; L40-L87 HydrophobicContact CD1-CD1 3.79Å; L40-L87 HydrophobicContact CD2-CB 3.69Å; L40-V88 HydrophobicContact CD1-CG2 4.44Å; L40-V88 HydrophobicContact CD2-CG2 3.68Å; L40-V88 HydrophobicContact CG-CG2 3.87Å
41	Q	88.1	Confident	84.9	Confident	30 Å²	30	72.7 Å²	72.7	14%	0.14	36%	0.36	C	S	.	.	H	α-helix	trans	-59.3	-47.7	173.2	-167.3	65.1	32.7	0	0	111.8	P30 I33 S35 D37 K39 L44 E45	P30-Q41 PolarHBondContact O-NE2 2.99Å; I33-Q41 PolarHBondContact O-NE2 2.88Å; I33-Q41 PolarHBondContact O-OE1 3.13Å; S35-Q41 WeakPolarHBondContact OG-CA 3.45Å; S35-Q41 WeakPolarHBondContact OG-CB 3.29Å; S35-Q41 PolarHBondContact OG-N 2.84Å; S35-Q41 PolarHBondContact OG-OE1 2.8Å; D37-Q41 PolarHBondContact O-N 3.13Å; D37-Q41 VanDerWaalsContact O-N 3.09Å; K39-Q41 VanDerWaalsContact C-N 3.3Å; K39-Q41 PolarHBondContact O-N 3.16Å; Q41-L44 PolarHBondContact O-N 3.47Å; Q41-E45 PolarHBondContact O-N 3.48Å
42	Q	91.5	Very high	86.3	Confident	136 Å²	136	70.6 Å²	70.6	64%	0.636	35%	0.348	S	S	*	.	H	α-helix	trans	-62.3	-45.3	-179.7	-173.8	-179.1	40.3	0	0	112.1	P38 K39 R46	P38-Q42 WeakPolarHBondContact O-CB 3.45Å; P38-Q42 PolarHBondContact O-N 2.96Å; K39-Q42 PolarHBondContact O-N 2.91Å; Q42-R46 WeakPolarHBondContact O-CB 3.39Å; Q42-R46 PolarHBondContact O-N 2.92Å
43	D	90.7	Very high	87.6	Confident	45 Å²	45	65 Å²	65	24%	0.241	33%	0.33	C	S	.	.	H	α-helix	trans	-68.4	-38.4	178	-94.7	-34.9	0	0	0	111.8	K39 E45 R46 F47	K39-D43 PolarHBondContact O-N 3.11Å; D43-E45 PolarHBondContact O-N 3.49Å; D43-R46 PolarHBondContact O-N 3.02Å; D43-R46 IonicContact OD1-CZ 3.47Å; D43-R46 IonicContact OD1-NH1 2.74Å; D43-R46 PolarHBondContact OD1-NH1 2.98Å; D43-F47 HydrophobicContact CB-CD2 4.27Å; D43-F47 HydrophobicContact CB-CE2 3.75Å; D43-F47 HydrophobicContact CB-CZ 4.44Å; D43-F47 WeakPolarHBondContact O-CD2 3.4Å; D43-F47 WeakPolarHBondContact O-CG 3.33Å; D43-F47 PolarHBondContact O-N 3.3Å
44	L	91.2	Very high	88.7	Confident	3 Å²	3	63.8 Å²	63.8	2%	0.016	32%	0.324	C	S	.	.	H	α-helix	trans	-60.3	-47.7	174.7	-164.9	162.3	0	0	0	111.2	P30 I33 L40 Q41 R46 Y48 L81 C84 M85 V88	P30-L44 HydrophobicContact CB-CD2 3.7Å; I33-L44 HydrophobicContact CG2-CD1 3.95Å; L40-L44 VanDerWaalsContact O-CB 3.28Å; L40-L44 WeakPolarHBondContact O-CB 3.42Å; L40-L44 PolarHBondContact O-N 3.17Å; Q41-L44 PolarHBondContact O-N 3.47Å; L44-R46 VanDerWaalsContact C-N 3.34Å; L44-R46 PolarHBondContact O-N 3.47Å; L44-Y48 WeakPolarHBondContact O-CB 3.39Å; L44-Y48 PolarHBondContact O-N 3.28Å; L44-Y48 VanDerWaalsContact O-N 3.1Å; L44-L81 HydrophobicContact CD2-CD1 3.93Å; L44-L81 HydrophobicContact CG-CD1 3.96Å; L44-L81 WeakPolarHBondContact O-CD1 3.31Å; L44-C84 HydrophobicContact CB-CB 4.05Å; L44-C84 HydrophobicContact CD1-CB 4.3Å; L44-C84 HydrophobicContact CG-CB 4.12Å; L44-M85 HydrophobicContact CD1-CG 4.28Å; L44-V88 HydrophobicContact CD1-CG2 3.78Å
45	E	92.5	Very high	89.4	Confident	62 Å²	62	58.7 Å²	58.7	29%	0.29	31%	0.307	S	S	.	.	H	α-helix	trans	-61.2	-40.8	173.2	-83.3	-166.3	-145.7	0	0	113.1	P30 Q41 D43 Y48 K49	P30-E45 HydrophobicContact CB-CG 3.65Å; P30-E45 HydrophobicContact CG-CG 3.76Å; Q41-E45 PolarHBondContact O-N 3.48Å; D43-E45 PolarHBondContact O-N 3.49Å; E45-Y48 PolarHBondContact O-N 2.75Å; E45-K49 WeakPolarHBondContact O-CB 3.42Å; E45-K49 WeakPolarHBondContact O-CD 3.29Å; E45-K49 VanDerWaalsContact O-CG 3.25Å; E45-K49 WeakPolarHBondContact O-CG 3.38Å; E45-K49 PolarHBondContact O-N 3.49Å; E45-K49 IonicContact OE2-NZ 2.64Å; E45-K49 PolarHBondContact OE2-NZ 3.09Å
46	R	93.4	Very high	90	Very high	98 Å²	98	65.6 Å²	65.6	37%	0.37	33%	0.33	S	S	.	.	H	α-helix	trans	-65.4	-47.7	-179.2	174.4	175.3	166.1	-108.7	-10.6	111.4	Q42 D43 L44 Y48 K49 I50	Q42-R46 WeakPolarHBondContact O-CB 3.39Å; Q42-R46 PolarHBondContact O-N 2.92Å; D43-R46 PolarHBondContact O-N 3.02Å; D43-R46 IonicContact OD1-CZ 3.47Å; D43-R46 IonicContact OD1-NH1 2.74Å; D43-R46 PolarHBondContact OD1-NH1 2.98Å; L44-R46 VanDerWaalsContact C-N 3.34Å; L44-R46 PolarHBondContact O-N 3.47Å; R46-Y48 VanDerWaalsContact C-N 3.33Å; R46-Y48 PolarHBondContact O-N 2.98Å; R46-K49 PolarHBondContact O-N 3.34Å; R46-I50 HydrophobicContact CG-CD1 3.77Å; R46-I50 WeakPolarHBondContact O-CB 3.46Å; R46-I50 VanDerWaalsContact O-CG1 3.26Å; R46-I50 WeakPolarHBondContact O-CG1 3.37Å; R46-I50 PolarHBondContact O-N 3.01Å
47	F	92.7	Very high	90.6	Very high	19 Å²	19	63.4 Å²	63.4	8%	0.083	31%	0.311	C	S	.	.	H	α-helix	trans	-66	-35.4	177.3	-61.5	-50.7	0	0	0	112	D43 I50 R51 Q80 L81	D43-F47 HydrophobicContact CB-CD2 4.27Å; D43-F47 HydrophobicContact CB-CE2 3.75Å; D43-F47 HydrophobicContact CB-CZ 4.44Å; D43-F47 WeakPolarHBondContact O-CD2 3.4Å; D43-F47 WeakPolarHBondContact O-CG 3.33Å; D43-F47 PolarHBondContact O-N 3.3Å; F47-I50 HydrophobicContact CD1-CD1 4.47Å; F47-I50 PolarHBondContact O-N 3.46Å; F47-R51 VanDerWaalsContact O-CB 3.32Å; F47-R51 WeakPolarHBondContact O-CB 3.43Å; F47-R51 PolarHBondContact O-N 2.84Å; F47-Q80 HydrophobicContact CB-CB 4.49Å; F47-Q80 HydrophobicContact CD1-CB 3.76Å; F47-Q80 HydrophobicContact CD1-CG 4.37Å; F47-Q80 HydrophobicContact CD2-CB 3.79Å; F47-Q80 HydrophobicContact CE1-CB 3.85Å; F47-Q80 VanDerWaalsContact CE1-CD 3.43Å; F47-Q80 HydrophobicContact CE1-CG 4.05Å; F47-Q80 HydrophobicContact CE2-CB 3.87Å; F47-Q80 HydrophobicContact CG-CB 3.75Å; F47-Q80 HydrophobicContact CZ-CB 3.92Å; F47-Q80 HydrophobicContact CZ-CG 4.14Å; F47-L81 HydrophobicContact CB-CB 4.04Å; F47-L81 HydrophobicContact CB-CD1 4.46Å
48	Y	90.4	Very high	90.7	Very high	49 Å²	49	61.5 Å²	61.5	19%	0.192	30%	0.3	C	S	.	.	H	α-helix	trans	-60	-48.1	171.2	-174.8	-90	0	0	0	112.3	P26 P27 P30 L44 E45 R46 R51 A52 L81	P26-Y48 HydrophobicContact CB-CE2 3.97Å; P26-Y48 WeakPolarHBondContact CB-OH 3.23Å; P26-Y48 WeakPolarHBondContact CG-OH 3.35Å; P27-Y48 HydrophobicContact CG-CD2 4.3Å; P27-Y48 HydrophobicContact CG-CE2 4.25Å; P27-Y48 VanDerWaalsContact O-CE2 3.31Å; P27-Y48 WeakPolarHBondContact O-CE2 3.35Å; P30-Y48 HydrophobicContact CG-CD1 4.11Å; P30-Y48 HydrophobicContact CG-CG 4.18Å; L44-Y48 WeakPolarHBondContact O-CB 3.39Å; L44-Y48 PolarHBondContact O-N 3.28Å; L44-Y48 VanDerWaalsContact O-N 3.1Å; E45-Y48 PolarHBondContact O-N 2.75Å; R46-Y48 VanDerWaalsContact C-N 3.33Å; R46-Y48 PolarHBondContact O-N 2.98Å; Y48-R51 PolarHBondContact O-N 3.16Å; Y48-A52 PolarHBondContact O-N 3.1Å; Y48-A52 VanDerWaalsContact O-N 3.08Å; Y48-L81 HydrophobicContact CD2-CD2 4.27Å
49	K	94.5	Very high	90.8	Very high	121 Å²	121	59.7 Å²	59.7	53%	0.526	29%	0.29	S	S	.	.	H	α-helix	trans	-65.1	-41.4	178.3	-71.4	161.5	-175.5	163.9	0	112	E45 R46 A52 A53	E45-K49 WeakPolarHBondContact O-CB 3.42Å; E45-K49 WeakPolarHBondContact O-CD 3.29Å; E45-K49 VanDerWaalsContact O-CG 3.25Å; E45-K49 WeakPolarHBondContact O-CG 3.38Å; E45-K49 PolarHBondContact O-N 3.49Å; E45-K49 IonicContact OE2-NZ 2.64Å; E45-K49 PolarHBondContact OE2-NZ 3.09Å; R46-K49 PolarHBondContact O-N 3.34Å; K49-A52 PolarHBondContact O-N 2.83Å; K49-A53 PolarHBondContact O-N 2.79Å
50	I	93	Very high	90.9	Very high	53 Å²	53	59.3 Å²	59.3	27%	0.272	29%	0.293	S	S	.	.	H	α-helix	trans	-62.6	-47.6	175.5	-70.3	167	0	0	0	111	R46 F47 A52 A53 A54 T73	R46-I50 HydrophobicContact CG-CD1 3.77Å; R46-I50 WeakPolarHBondContact O-CB 3.46Å; R46-I50 VanDerWaalsContact O-CG1 3.26Å; R46-I50 WeakPolarHBondContact O-CG1 3.37Å; R46-I50 PolarHBondContact O-N 3.01Å; F47-I50 HydrophobicContact CD1-CD1 4.47Å; F47-I50 PolarHBondContact O-N 3.46Å; I50-A52 VanDerWaalsContact C-N 3.34Å; I50-A52 PolarHBondContact O-N 3Å; I50-A53 WeakPolarHBondContact O-CB 3.24Å; I50-A53 PolarHBondContact O-N 3.14Å; I50-A53 VanDerWaalsContact O-N 3.13Å; I50-A54 PolarHBondContact O-N 2.72Å; I50-T73 HydrophobicContact CG2-CG2 3.59Å
51	R	91.7	Very high	90.9	Very high	45 Å²	45	59 Å²	59	17%	0.17	29%	0.293	C	S	.	.	H	α-helix	trans	-55.4	-47.5	175.5	168	170.4	167.4	-170	-8	111.8	P27 F47 Y48 A53 A54 C55 L74 S77 H78	P27-R51 VanDerWaalsContact CD-NH1 3.31Å; F47-R51 VanDerWaalsContact O-CB 3.32Å; F47-R51 WeakPolarHBondContact O-CB 3.43Å; F47-R51 PolarHBondContact O-N 2.84Å; Y48-R51 PolarHBondContact O-N 3.16Å; R51-A53 VanDerWaalsContact C-N 3.3Å; R51-A53 PolarHBondContact O-N 3.12Å; R51-A54 PolarHBondContact O-N 2.8Å; R51-C55 PolarHBondContact O-N 2.8Å; R51-C55 PolarHBondContact O-SG 2.83Å; R51-C55 VanDerWaalsContact O-SG 3.42Å; R51-L74 HydrophobicContact CG-CD1 3.74Å; R51-S77 WeakPolarHBondContact CA-OG 3.34Å; R51-H78 PolarHBondContact NH1-ND1 2.91Å
52	A	88.8	Confident	90.8	Very high	44 Å²	44	65.9 Å²	65.9	36%	0.364	33%	0.325	S	S	.	.	H	α-helix	trans	-67.2	-27.7	179.1	0	0	0	0	0	113.5	Y48 K49 I50 R56	Y48-A52 PolarHBondContact O-N 3.1Å; Y48-A52 VanDerWaalsContact O-N 3.08Å; K49-A52 PolarHBondContact O-N 2.83Å; I50-A52 VanDerWaalsContact C-N 3.34Å; I50-A52 PolarHBondContact O-N 3Å; A52-R56 WeakPolarHBondContact O-CG 3.37Å; A52-R56 PolarHBondContact O-NE 3.15Å
53	A	92.6	Very high	90.6	Very high	35 Å²	35	62 Å²	62	29%	0.289	31%	0.309	S	S	.	.	H	α-helix	trans	-71.7	-46.1	169.7	0	0	0	0	0	111.6	K49 I50 R51 C55 R56 I57	K49-A53 PolarHBondContact O-N 2.79Å; I50-A53 WeakPolarHBondContact O-CB 3.24Å; I50-A53 PolarHBondContact O-N 3.14Å; I50-A53 VanDerWaalsContact O-N 3.13Å; R51-A53 VanDerWaalsContact C-N 3.3Å; R51-A53 PolarHBondContact O-N 3.12Å; A53-C55 PolarHBondContact O-N 2.87Å; A53-R56 PolarHBondContact O-N 3.49Å; A53-R56 VanDerWaalsContact O-N 3.08Å; A53-I57 WeakPolarHBondContact O-CG1 3.08Å; A53-I57 PolarHBondContact O-N 2.89Å
54	A	91.5	Very high	90.4	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.008	30%	0.303	C	S	.	.	H	α-helix	trans	-59.2	-44	178.8	0	0	0	0	0	112.7	I50 R51 R56 I57 L58 T73 L74	I50-A54 PolarHBondContact O-N 2.72Å; R51-A54 PolarHBondContact O-N 2.8Å; A54-R56 VanDerWaalsContact C-N 3.31Å; A54-R56 PolarHBondContact O-N 2.86Å; A54-I57 PolarHBondContact O-N 3.26Å; A54-L58 WeakPolarHBondContact O-CG 3.35Å; A54-L58 PolarHBondContact O-N 3Å; A54-T73 HydrophobicContact CB-CG2 3.95Å; A54-L74 HydrophobicContact CB-CB 3.99Å
55	C	89.5	Confident	90.4	Very high	49 Å²	49	64.1 Å²	64.1	33%	0.331	32%	0.321	S	S	.	.	H	α-helix	trans	-57.3	-40.6	173	-70.2	0	0	0	0	112.8	R51 A53 S59	R51-C55 PolarHBondContact O-N 2.8Å; R51-C55 PolarHBondContact O-SG 2.83Å; R51-C55 VanDerWaalsContact O-SG 3.42Å; A53-C55 PolarHBondContact O-N 2.87Å; C55-S59 PolarHBondContact O-N 3.26Å; C55-S59 PolarHBondContact O-OG 3.33Å
56	R	92.2	Very high	90.3	Very high	170 Å²	170	65 Å²	65	64%	0.642	33%	0.325	S	S	*	.	H	α-helix	trans	-69.3	-41.6	177.1	-73.3	-176.7	-68.2	164.4	2.4	112	A52 A53 A54 L58 S59 I60	A52-R56 WeakPolarHBondContact O-CG 3.37Å; A52-R56 PolarHBondContact O-NE 3.15Å; A53-R56 PolarHBondContact O-N 3.49Å; A53-R56 VanDerWaalsContact O-N 3.08Å; A54-R56 VanDerWaalsContact C-N 3.31Å; A54-R56 PolarHBondContact O-N 2.86Å; R56-L58 PolarHBondContact O-N 3.43Å; R56-S59 WeakPolarHBondContact O-CB 3.29Å; R56-S59 PolarHBondContact O-N 2.65Å; R56-S59 VanDerWaalsContact O-N 3.09Å; R56-I60 WeakPolarHBondContact O-CG1 3.34Å; R56-I60 PolarHBondContact O-N 2.74Å
57	I	90.5	Very high	90.2	Very high	43 Å²	43	64.1 Å²	64.1	22%	0.221	32%	0.322	C	S	.	.	H	α-helix	trans	-61.8	-44.5	176.1	-63	166.4	0	0	0	110.6	A53 A54 S59 I60 A61 Q66 A70	A53-I57 WeakPolarHBondContact O-CG1 3.08Å; A53-I57 PolarHBondContact O-N 2.89Å; A54-I57 PolarHBondContact O-N 3.26Å; I57-S59 PolarHBondContact O-N 3.41Å; I57-I60 PolarHBondContact O-N 2.92Å; I57-I60 VanDerWaalsContact O-N 3.14Å; I57-A61 HydrophobicContact CG2-CB 4.12Å; I57-A61 WeakPolarHBondContact O-CB 3.26Å; I57-A61 PolarHBondContact O-N 2.92Å; I57-Q66 HydrophobicContact CG2-CG 4.03Å; I57-A70 HydrophobicContact CB-CB 3.98Å; I57-A70 HydrophobicContact CG2-CB 3.66Å
58	L	87.6	Confident	90.2	Very high	29 Å²	29	63.5 Å²	63.5	15%	0.152	32%	0.319	C	S	.	.	H	α-helix	trans	-57.4	-28.7	174.1	-78.3	165.6	0	0	0	113.8	A54 R56 R67 A70 A71 L74 Y290	A54-L58 WeakPolarHBondContact O-CG 3.35Å; A54-L58 PolarHBondContact O-N 3Å; R56-L58 PolarHBondContact O-N 3.43Å; L58-R67 VanDerWaalsContact CD2-O 3.29Å; L58-R67 WeakPolarHBondContact CD2-O 3.14Å; L58-A70 HydrophobicContact CD2-CB 4.08Å; L58-A70 HydrophobicContact CG-CB 3.83Å; L58-A71 HydrophobicContact CD2-CB 3.99Å; L58-L74 HydrophobicContact CD1-CB 4.21Å; L58-L74 HydrophobicContact CD1-CD2 3.54Å; L58-Y290 HydrophobicContact CD2-CE2 4.31Å
59	S	88.4	Confident	90.3	Very high	66 Å²	66	62.3 Å²	62.3	46%	0.462	32%	0.316	S	S	.	.	H	α-helix	trans	-82.2	-13.5	-178.3	-53.9	0	0	0	0	113.8	C55 R56 I57 I261	C55-S59 PolarHBondContact O-N 3.26Å; C55-S59 PolarHBondContact O-OG 3.33Å; R56-S59 WeakPolarHBondContact O-CB 3.29Å; R56-S59 PolarHBondContact O-N 2.65Å; R56-S59 VanDerWaalsContact O-N 3.09Å; I57-S59 PolarHBondContact O-N 3.41Å; S59-I261 WeakPolarHBondContact OG-CD1 3.41Å
60	I	90.6	Very high	90.3	Very high	130 Å²	130	56.7 Å²	56.7	67%	0.667	29%	0.292	S	S	*	.	H	α-helix	trans	-128.4	-21.1	-173.4	69	-177.4	0	0	0	114	R56 I57 Q62	R56-I60 WeakPolarHBondContact O-CG1 3.34Å; R56-I60 PolarHBondContact O-N 2.74Å; I57-I60 PolarHBondContact O-N 2.92Å; I57-I60 VanDerWaalsContact O-N 3.14Å; I60-Q62 PolarHBondContact O-N 3.14Å
61	A	86.7	Confident	90.3	Very high	10 Å²	10	54.4 Å²	54.4	8%	0.083	28%	0.281	C	S	.	.			trans	-74.8	116.9	-176.7	0	0	0	0	0	111.1	I57 Q66 R67	I57-A61 HydrophobicContact CG2-CB 4.12Å; I57-A61 WeakPolarHBondContact O-CB 3.26Å; I57-A61 PolarHBondContact O-N 2.92Å; A61-Q66 HydrophobicContact CB-CB 4.09Å; A61-Q66 HydrophobicContact CB-CG 3.71Å; A61-R67 HydrophobicContact CB-CG 3.91Å; A61-R67 WeakPolarHBondContact O-CD 3.4Å; A61-R67 WeakPolarHBondContact O-CG 3.28Å; A61-R67 PolarHBondContact O-NE 3.04Å
62	Q	86.2	Confident	90.4	Very high	176 Å²	176	52.4 Å²	52.4	82%	0.822	27%	0.274	S	S	*	.			trans	-81.9	-45	172.7	-67.3	173.2	-17.8	0	0	111.2	I60 R67	I60-Q62 PolarHBondContact O-N 3.14Å; Q62-R67 VanDerWaalsContact O-CZ 3.32Å; Q62-R67 PolarHBondContact O-NE 2.66Å; Q62-R67 PolarHBondContact O-NH2 2.88Å
63	N	87.3	Confident	90.7	Very high	53 Å²	53	51 Å²	51	28%	0.283	26%	0.261	S	S	.	.	S	Bend	trans	-57.8	129.9	179.9	175.3	-88.8	0	0	0	111.5	L65 Q66 R67 E188	N63-L65 WeakPolarHBondContact OD1-CB 3.48Å; N63-L65 PolarHBondContact OD1-N 2.65Å; N63-L65 VanDerWaalsContact OD1-N 3.16Å; N63-Q66 HydrophobicContact CB-CB 4.26Å; N63-Q66 PolarHBondContact O-N 2.88Å; N63-Q66 PolarHBondContact OD1-N 2.96Å; N63-R67 PolarHBondContact O-N 2.75Å; N63-E188 PolarHBondContact ND2-OE2 2.98Å
64	P	87.2	Confident	90.8	Very high	18 Å²	18	50.5 Å²	50.5	12%	0.117	25%	0.253	C	S	.	.	H	α-helix	trans	-69.4	-36.2	-172.4	25.4	-34.1	0	0	0	113.8	Q66 R67 L68 E188 C190 F212	P64-Q66 VanDerWaalsContact C-N 3.31Å; P64-Q66 PolarHBondContact O-N 2.96Å; P64-R67 PolarHBondContact O-N 3.08Å; P64-L68 WeakPolarHBondContact O-CG 3.35Å; P64-L68 PolarHBondContact O-N 2.8Å; P64-E188 WeakPolarHBondContact CG-O 3.3Å; P64-C190 WeakPolarHBondContact CB-SG 3.29Å; P64-C190 WeakPolarHBondContact CG-SG 3.3Å; P64-F212 HydrophobicContact CB-CZ 4.44Å; P64-F212 HydrophobicContact CG-CZ 4.22Å
65	L	90.2	Very high	90.9	Very high	76 Å²	76	52 Å²	52	40%	0.398	26%	0.261	S	S	.	.	H	α-helix	trans	-60.4	-43.1	174.3	172.7	60.6	0	0	0	111	N63 L68 D69 L210 F212	N63-L65 WeakPolarHBondContact OD1-CB 3.48Å; N63-L65 PolarHBondContact OD1-N 2.65Å; N63-L65 VanDerWaalsContact OD1-N 3.16Å; L65-L68 PolarHBondContact O-N 2.99Å; L65-D69 PolarHBondContact O-N 2.7Å; L65-L210 HydrophobicContact CD1-CD2 4.13Å; L65-F212 VanDerWaalsContact CA-CE2 3.44Å; L65-F212 HydrophobicContact CB-CD1 4.35Å; L65-F212 HydrophobicContact CB-CD2 4.13Å; L65-F212 HydrophobicContact CB-CE1 3.97Å; L65-F212 HydrophobicContact CB-CE2 3.74Å; L65-F212 HydrophobicContact CB-CG 4.42Å; L65-F212 HydrophobicContact CB-CZ 3.63Å; L65-F212 HydrophobicContact CD1-CB 3.89Å; L65-F212 HydrophobicContact CD1-CD1 4.17Å; L65-F212 HydrophobicContact CD1-CD2 3.72Å; L65-F212 HydrophobicContact CD1-CE2 4.23Å; L65-F212 HydrophobicContact CD1-CG 3.68Å
66	Q	91.4	Very high	91.1	Very high	81 Å²	81	49.9 Å²	49.9	38%	0.379	25%	0.246	S	C	.	.	H	α-helix	trans	-64.9	-38.4	176.1	-170.9	-180	2	0	0	112.2	I57 A61 N63 P64 A70	I57-Q66 HydrophobicContact CG2-CG 4.03Å; A61-Q66 HydrophobicContact CB-CB 4.09Å; A61-Q66 HydrophobicContact CB-CG 3.71Å; N63-Q66 HydrophobicContact CB-CB 4.26Å; N63-Q66 PolarHBondContact O-N 2.88Å; N63-Q66 PolarHBondContact OD1-N 2.96Å; P64-Q66 VanDerWaalsContact C-N 3.31Å; P64-Q66 PolarHBondContact O-N 2.96Å; Q66-A70 VanDerWaalsContact O-CB 3.26Å; Q66-A70 WeakPolarHBondContact O-CB 3.23Å; Q66-A70 PolarHBondContact O-N 2.86Å; Q66-A70 VanDerWaalsContact O-N 3.13Å
67	R	91.2	Very high	91.2	Very high	78 Å²	78	41.9 Å²	41.9	29%	0.294	22%	0.216	S	C	.	.	H	α-helix	trans	-62.6	-45.1	172	-76.4	-174.5	-83.8	141.8	-5.4	111.9	L58 A61 Q62 N63 P64 A70 A71	L58-R67 VanDerWaalsContact CD2-O 3.29Å; L58-R67 WeakPolarHBondContact CD2-O 3.14Å; A61-R67 HydrophobicContact CB-CG 3.91Å; A61-R67 WeakPolarHBondContact O-CD 3.4Å; A61-R67 WeakPolarHBondContact O-CG 3.28Å; A61-R67 PolarHBondContact O-NE 3.04Å; Q62-R67 VanDerWaalsContact O-CZ 3.32Å; Q62-R67 PolarHBondContact O-NE 2.66Å; Q62-R67 PolarHBondContact O-NH2 2.88Å; N63-R67 PolarHBondContact O-N 2.75Å; P64-R67 PolarHBondContact O-N 3.08Å; R67-A70 PolarHBondContact O-N 2.89Å; R67-A71 WeakPolarHBondContact O-CB 3.47Å; R67-A71 PolarHBondContact O-N 3.11Å
68	L	92.2	Very high	91.3	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-72.5	-38.2	-177.3	-65.6	-169.9	0	0	0	113.4	P64 L65 A70 A71 K72 S194 L210 F212 F245 Y290 F291	P64-L68 WeakPolarHBondContact O-CG 3.35Å; P64-L68 PolarHBondContact O-N 2.8Å; L65-L68 PolarHBondContact O-N 2.99Å; L68-A70 VanDerWaalsContact C-N 3.29Å; L68-A70 PolarHBondContact O-N 3.31Å; L68-A71 PolarHBondContact O-N 2.91Å; L68-K72 VanDerWaalsContact O-CB 3.3Å; L68-K72 WeakPolarHBondContact O-CB 3.26Å; L68-K72 PolarHBondContact O-N 3.28Å; L68-S194 WeakPolarHBondContact CD1-OG 3.35Å; L68-L210 HydrophobicContact CB-CD2 3.76Å; L68-F212 HydrophobicContact CD1-CD2 4.11Å; L68-F212 HydrophobicContact CD1-CE2 4.04Å; L68-F245 HydrophobicContact CD1-CB 4.27Å; L68-F245 HydrophobicContact CD1-CD1 4.03Å; L68-F245 HydrophobicContact CD1-CD2 4.23Å; L68-F245 HydrophobicContact CD1-CE1 4.47Å; L68-F245 HydrophobicContact CD1-CG 3.92Å; L68-F245 HydrophobicContact CD2-CD2 3.41Å; L68-F245 VanDerWaalsContact CD2-CD2 3.41Å; L68-F245 HydrophobicContact CD2-CE2 3.66Å; L68-F245 HydrophobicContact CD2-CG 3.96Å; L68-F245 HydrophobicContact CD2-CZ 4.34Å; L68-F245 HydrophobicContact CG-CD2 4.49Å; L68-Y290 HydrophobicContact CD2-CD1 3.82Å; L68-Y290 HydrophobicContact CD2-CE1 4.44Å; L68-F291 HydrophobicContact CB-CZ 4.17Å; L68-F291 HydrophobicContact CD2-CZ 4.42Å
69	D	93.5	Very high	91.5	Very high	25 Å²	25	43 Å²	43	13%	0.134	23%	0.225	C	C	.	.	H	α-helix	trans	-67.2	-32.1	172.7	-166.3	59.4	0	0	0	111.2	L65 T73 L210 T899 S900	L65-D69 PolarHBondContact O-N 2.7Å; D69-T73 VanDerWaalsContact O-CB 3.28Å; D69-T73 WeakPolarHBondContact O-CB 3.38Å; D69-T73 PolarHBondContact O-N 2.93Å; D69-T73 PolarHBondContact O-OG1 2.71Å; D69-L210 HydrophobicContact CB-CD2 4.37Å; D69-T899 PolarHBondContact OD1-OG1 3.1Å; D69-S900 WeakPolarHBondContact OD2-CA 3.46Å; D69-S900 PolarHBondContact OD2-N 3.29Å
70	A	93.8	Very high	91.8	Very high	3 Å²	3	40.9 Å²	40.9	3%	0.025	21%	0.208	C	C	.	.	H	α-helix	trans	-70.7	-40.1	171.8	0	0	0	0	0	113	I57 L58 Q66 R67 L68 T73 L74	I57-A70 HydrophobicContact CB-CB 3.98Å; I57-A70 HydrophobicContact CG2-CB 3.66Å; L58-A70 HydrophobicContact CD2-CB 4.08Å; L58-A70 HydrophobicContact CG-CB 3.83Å; Q66-A70 VanDerWaalsContact O-CB 3.26Å; Q66-A70 WeakPolarHBondContact O-CB 3.23Å; Q66-A70 PolarHBondContact O-N 2.86Å; Q66-A70 VanDerWaalsContact O-N 3.13Å; R67-A70 PolarHBondContact O-N 2.89Å; L68-A70 VanDerWaalsContact C-N 3.29Å; L68-A70 PolarHBondContact O-N 3.31Å; A70-T73 PolarHBondContact O-N 3.25Å; A70-L74 WeakPolarHBondContact O-CB 3.08Å; A70-L74 PolarHBondContact O-N 2.88Å
71	A	93.4	Very high	91.8	Very high	5 Å²	5	34.9 Å²	34.9	4%	0.041	18%	0.177	C	C	.	.	H	α-helix	trans	-63.3	-43.9	173.6	0	0	0	0	0	111.8	L58 R67 L68 L74 L75 Y290 F291	L58-A71 HydrophobicContact CD2-CB 3.99Å; R67-A71 WeakPolarHBondContact O-CB 3.47Å; R67-A71 PolarHBondContact O-N 3.11Å; L68-A71 PolarHBondContact O-N 2.91Å; A71-L74 WeakPolarHBondContact O-CB 3.37Å; A71-L74 PolarHBondContact O-N 2.73Å; A71-L75 WeakPolarHBondContact O-CB 3.36Å; A71-L75 PolarHBondContact O-N 3.47Å; A71-Y290 HydrophobicContact CB-CD1 3.87Å; A71-Y290 HydrophobicContact CB-CD2 3.83Å; A71-Y290 HydrophobicContact CB-CE1 4.39Å; A71-Y290 HydrophobicContact CB-CE2 4.35Å; A71-Y290 HydrophobicContact CB-CG 3.56Å; A71-F291 HydrophobicContact CB-CD2 4.28Å; A71-F291 HydrophobicContact CB-CE2 3.86Å
72	K	94.4	Very high	92.1	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.009	19%	0.189	C	C	.	.	H	α-helix	trans	-58.3	-49.3	171.1	169.6	176.7	-179.7	-76	0	111.4	L68 L74 L75 V76 F196 D207 T208 L210 F291	L68-K72 VanDerWaalsContact O-CB 3.3Å; L68-K72 WeakPolarHBondContact O-CB 3.26Å; L68-K72 PolarHBondContact O-N 3.28Å; K72-L74 VanDerWaalsContact C-N 3.29Å; K72-L74 PolarHBondContact O-N 2.91Å; K72-L75 PolarHBondContact O-N 2.97Å; K72-V76 HydrophobicContact CG-CG2 4.38Å; K72-V76 WeakPolarHBondContact O-CB 3.46Å; K72-V76 WeakPolarHBondContact O-CG2 3.43Å; K72-V76 PolarHBondContact O-N 3.06Å; K72-F196 HydrophobicContact CB-CD1 4.2Å; K72-F196 HydrophobicContact CB-CE1 3.92Å; K72-F196 HydrophobicContact CB-CZ 4.23Å; K72-F196 HydrophobicContact CD-CB 3.91Å; K72-F196 HydrophobicContact CD-CD1 3.73Å; K72-F196 HydrophobicContact CD-CD2 3.96Å; K72-F196 HydrophobicContact CD-CE1 4.2Å; K72-F196 HydrophobicContact CD-CE2 4.42Å; K72-F196 HydrophobicContact CD-CG 3.59Å; K72-F196 VanDerWaalsContact CE-CB 3.48Å; K72-F196 VanDerWaalsContact CE-CG 3.47Å; K72-F196 HydrophobicContact CG-CD1 3.86Å; K72-F196 HydrophobicContact CG-CD2 3.96Å; K72-F196 HydrophobicContact CG-CE1 3.8Å; K72-F196 HydrophobicContact CG-CE2 3.91Å; K72-F196 HydrophobicContact CG-CG 3.94Å; K72-F196 HydrophobicContact CG-CZ 3.83Å; K72-D207 IonicContact NZ-OD2 2.72Å; K72-D207 PolarHBondContact NZ-OD2 2.88Å; K72-T208 WeakPolarHBondContact CE-O 3.36Å; K72-T208 PolarHBondContact NZ-O 3.01Å; K72-L210 HydrophobicContact CD-CB 3.85Å; K72-L210 HydrophobicContact CD-CD1 4.23Å; K72-F291 HydrophobicContact CB-CE2 4.03Å; K72-F291 HydrophobicContact CB-CZ 4.33Å
73	T	95.4	Very high	92.2	Very high	15 Å²	15	29.6 Å²	29.6	9%	0.092	15%	0.154	C	C	.	.	H	α-helix	trans	-59.3	-41	178	-59.2	0	0	0	0	111.2	I50 A54 D69 A70 S77 S900	I50-T73 HydrophobicContact CG2-CG2 3.59Å; A54-T73 HydrophobicContact CB-CG2 3.95Å; D69-T73 VanDerWaalsContact O-CB 3.28Å; D69-T73 WeakPolarHBondContact O-CB 3.38Å; D69-T73 PolarHBondContact O-N 2.93Å; D69-T73 PolarHBondContact O-OG1 2.71Å; A70-T73 PolarHBondContact O-N 3.25Å; T73-S77 WeakPolarHBondContact O-CB 3.49Å; T73-S77 PolarHBondContact O-N 3.41Å; T73-S77 PolarHBondContact O-OG 2.89Å; T73-S900 PolarHBondContact OG1-OG 2.83Å
74	L	94.4	Very high	92.4	Very high	25 Å²	25	27.6 Å²	27.6	13%	0.131	14%	0.144	C	C	.	.	H	α-helix	trans	-62	-49.2	174.8	173.4	57	0	0	0	111.8	R51 A54 L58 A70 A71 K72 S77 H78	R51-L74 HydrophobicContact CG-CD1 3.74Å; A54-L74 HydrophobicContact CB-CB 3.99Å; L58-L74 HydrophobicContact CD1-CB 4.21Å; L58-L74 HydrophobicContact CD1-CD2 3.54Å; A70-L74 WeakPolarHBondContact O-CB 3.08Å; A70-L74 PolarHBondContact O-N 2.88Å; A71-L74 WeakPolarHBondContact O-CB 3.37Å; A71-L74 PolarHBondContact O-N 2.73Å; K72-L74 VanDerWaalsContact C-N 3.29Å; K72-L74 PolarHBondContact O-N 2.91Å; L74-S77 PolarHBondContact O-OG 3.27Å; L74-H78 WeakPolarHBondContact O-CB 3.19Å; L74-H78 PolarHBondContact O-N 2.85Å
75	L	93.6	Very high	92.5	Very high	32 Å²	32	28.7 Å²	28.7	17%	0.168	15%	0.148	C	C	.	.	H	α-helix	trans	-60.4	-52.1	179.6	-171.6	162	0	0	0	111.4	A71 K72 H78 A79 F196 Y243 F291	A71-L75 WeakPolarHBondContact O-CB 3.36Å; A71-L75 PolarHBondContact O-N 3.47Å; K72-L75 PolarHBondContact O-N 2.97Å; L75-H78 PolarHBondContact O-N 3.47Å; L75-A79 PolarHBondContact O-N 2.8Å; L75-F196 HydrophobicContact CD1-CZ 4.31Å; L75-F196 HydrophobicContact CD2-CZ 4.24Å; L75-Y243 HydrophobicContact CD1-CD1 3.9Å; L75-Y243 HydrophobicContact CD1-CE1 4.06Å; L75-Y243 HydrophobicContact CD2-CE1 4.32Å; L75-F291 HydrophobicContact CD1-CB 4.01Å
76	V	93.4	Very high	92.5	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.024	15%	0.152	C	C	.	.	H	α-helix	trans	-65.4	-46.6	-177.6	176.3	0	0	0	0	111.4	K72 H78 A79 Q80 F196 T198 D207	K72-V76 HydrophobicContact CG-CG2 4.38Å; K72-V76 WeakPolarHBondContact O-CB 3.46Å; K72-V76 WeakPolarHBondContact O-CG2 3.43Å; K72-V76 PolarHBondContact O-N 3.06Å; V76-H78 VanDerWaalsContact C-N 3.31Å; V76-H78 PolarHBondContact O-N 2.98Å; V76-A79 PolarHBondContact O-N 2.87Å; V76-Q80 HydrophobicContact CG1-CG 4.41Å; V76-Q80 WeakPolarHBondContact O-CB 3.33Å; V76-Q80 WeakPolarHBondContact O-CG 3.37Å; V76-Q80 PolarHBondContact O-N 2.67Å; V76-F196 HydrophobicContact CG2-CE2 3.69Å; V76-F196 HydrophobicContact CG2-CZ 4.29Å; V76-T198 HydrophobicContact CG2-CG2 3.99Å; V76-D207 HydrophobicContact CG1-CB 4.02Å; V76-D207 HydrophobicContact CG2-CB 3.87Å
77	S	93.8	Very high	92.4	Very high	2 Å²	2	29 Å²	29	1%	0.014	14%	0.143	C	C	.	.	H	α-helix	trans	-67.7	-29.5	178.7	62.9	0	0	0	0	113	R51 T73 L74 L81	R51-S77 WeakPolarHBondContact CA-OG 3.34Å; T73-S77 WeakPolarHBondContact O-CB 3.49Å; T73-S77 PolarHBondContact O-N 3.41Å; T73-S77 PolarHBondContact O-OG 2.89Å; L74-S77 PolarHBondContact O-OG 3.27Å; S77-L81 WeakPolarHBondContact O-CB 3.47Å; S77-L81 PolarHBondContact O-N 3.13Å
78	H	92.8	Very high	92.2	Very high	64 Å²	64	25.5 Å²	25.5	30%	0.296	13%	0.13	S	C	.	.	H	α-helix	trans	-65.8	-46.9	170.7	-172.5	115.7	0	0	0	111.3	R51 L74 L75 V76 L81 L82	R51-H78 PolarHBondContact NH1-ND1 2.91Å; L74-H78 WeakPolarHBondContact O-CB 3.19Å; L74-H78 PolarHBondContact O-N 2.85Å; L75-H78 PolarHBondContact O-N 3.47Å; V76-H78 VanDerWaalsContact C-N 3.31Å; V76-H78 PolarHBondContact O-N 2.98Å; H78-L81 PolarHBondContact O-N 3.15Å; H78-L82 WeakPolarHBondContact NE2-CD1 3.43Å; H78-L82 WeakPolarHBondContact O-CG 3.44Å; H78-L82 PolarHBondContact O-N 3.27Å
79	A	92.1	Very high	91.9	Very high	31 Å²	31	31.1 Å²	31.1	26%	0.256	16%	0.156	S	C	.	.	H	α-helix	trans	-62.2	-43.7	177.3	0	0	0	0	0	112.1	L75 V76 L82 S83 I205	L75-A79 PolarHBondContact O-N 2.8Å; V76-A79 PolarHBondContact O-N 2.87Å; A79-L82 PolarHBondContact O-N 3.25Å; A79-S83 PolarHBondContact O-N 2.9Å; A79-I205 HydrophobicContact CB-CD1 4.04Å
80	Q	94.4	Very high	91.6	Very high	23 Å²	23	37.1 Å²	37.1	11%	0.107	18%	0.177	C	C	.	.	H	α-helix	trans	-59.8	-47.7	174.2	-74	165.4	-22.5	0	0	111.8	F47 V76 L82 S83 C84 I205	F47-Q80 HydrophobicContact CB-CB 4.49Å; F47-Q80 HydrophobicContact CD1-CB 3.76Å; F47-Q80 HydrophobicContact CD1-CG 4.37Å; F47-Q80 HydrophobicContact CD2-CB 3.79Å; F47-Q80 HydrophobicContact CE1-CB 3.85Å; F47-Q80 VanDerWaalsContact CE1-CD 3.43Å; F47-Q80 HydrophobicContact CE1-CG 4.05Å; F47-Q80 HydrophobicContact CE2-CB 3.87Å; F47-Q80 HydrophobicContact CG-CB 3.75Å; F47-Q80 HydrophobicContact CZ-CB 3.92Å; F47-Q80 HydrophobicContact CZ-CG 4.14Å; V76-Q80 HydrophobicContact CG1-CG 4.41Å; V76-Q80 WeakPolarHBondContact O-CB 3.33Å; V76-Q80 WeakPolarHBondContact O-CG 3.37Å; V76-Q80 PolarHBondContact O-N 2.67Å; Q80-L82 PolarHBondContact O-N 3.49Å; Q80-S83 WeakPolarHBondContact O-CA 3.46Å; Q80-S83 VanDerWaalsContact O-CB 3.29Å; Q80-S83 WeakPolarHBondContact O-CB 3.29Å; Q80-S83 PolarHBondContact O-N 2.72Å; Q80-C84 PolarHBondContact O-N 3.49Å; Q80-C84 PolarHBondContact O-SG 2.95Å; Q80-I205 HydrophobicContact CG-CB 3.92Å; Q80-I205 HydrophobicContact CG-CG2 4.3Å; Q80-I205 PolarHBondContact NE2-O 3.4Å
81	L	91.3	Very high	91.2	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-60.2	-42.2	177.3	-178.7	61.2	0	0	0	112.2	P27 L44 F47 Y48 S77 H78 S83 C84 M85	P27-L81 HydrophobicContact CG-CD2 3.74Å; L44-L81 HydrophobicContact CD2-CD1 3.93Å; L44-L81 HydrophobicContact CG-CD1 3.96Å; L44-L81 WeakPolarHBondContact O-CD1 3.31Å; F47-L81 HydrophobicContact CB-CB 4.04Å; F47-L81 HydrophobicContact CB-CD1 4.46Å; Y48-L81 HydrophobicContact CD2-CD2 4.27Å; S77-L81 WeakPolarHBondContact O-CB 3.47Å; S77-L81 PolarHBondContact O-N 3.13Å; H78-L81 PolarHBondContact O-N 3.15Å; L81-S83 VanDerWaalsContact C-N 3.31Å; L81-S83 PolarHBondContact O-N 3.15Å; L81-C84 PolarHBondContact O-N 3.25Å; L81-M85 HydrophobicContact CG-SD 4.26Å; L81-M85 WeakPolarHBondContact O-CG 3.38Å; L81-M85 PolarHBondContact O-N 3.14Å
82	L	91.5	Very high	90.8	Very high	64 Å²	64	42.7 Å²	42.7	34%	0.335	20%	0.2	S	C	.	.	H	α-helix	trans	-65.7	-31.8	173.7	-70.6	-177.6	0	0	0	112.7	H78 A79 Q80 R86	H78-L82 WeakPolarHBondContact NE2-CD1 3.43Å; H78-L82 WeakPolarHBondContact O-CG 3.44Å; H78-L82 PolarHBondContact O-N 3.27Å; A79-L82 PolarHBondContact O-N 3.25Å; Q80-L82 PolarHBondContact O-N 3.49Å; L82-R86 VanDerWaalsContact O-CG 3.26Å; L82-R86 WeakPolarHBondContact O-CG 3.29Å; L82-R86 PolarHBondContact O-N 3.03Å; L82-R86 PolarHBondContact O-NH1 2.83Å
83	S	89.5	Confident	90.4	Very high	11 Å²	11	46.4 Å²	46.4	8%	0.077	22%	0.223	C	C	.	.	H	α-helix	trans	-64.4	-50.6	172.1	-164.4	0	0	0	0	110.7	A79 Q80 L81 M85 R86 L87 H203	A79-S83 PolarHBondContact O-N 2.9Å; Q80-S83 WeakPolarHBondContact O-CA 3.46Å; Q80-S83 VanDerWaalsContact O-CB 3.29Å; Q80-S83 WeakPolarHBondContact O-CB 3.29Å; Q80-S83 PolarHBondContact O-N 2.72Å; L81-S83 VanDerWaalsContact C-N 3.31Å; L81-S83 PolarHBondContact O-N 3.15Å; S83-M85 PolarHBondContact O-N 3.45Å; S83-R86 PolarHBondContact O-N 3.31Å; S83-L87 PolarHBondContact O-N 2.88Å; S83-L87 VanDerWaalsContact O-N 3.12Å; S83-H203 PolarHBondContact OG-O 2.95Å
84	C	90.9	Very high	89.7	Confident	11 Å²	11	49.4 Å²	49.4	7%	0.074	24%	0.236	C	C	.	.	H	α-helix	trans	-58.4	-47.2	176.6	-65.5	0	0	0	0	112.2	L40 L44 Q80 L81 R86 L87 V88	L40-C84 HydrophobicContact CD1-CB 3.9Å; L44-C84 HydrophobicContact CB-CB 4.05Å; L44-C84 HydrophobicContact CD1-CB 4.3Å; L44-C84 HydrophobicContact CG-CB 4.12Å; Q80-C84 PolarHBondContact O-N 3.49Å; Q80-C84 PolarHBondContact O-SG 2.95Å; L81-C84 PolarHBondContact O-N 3.25Å; C84-R86 VanDerWaalsContact C-N 3.28Å; C84-R86 PolarHBondContact O-N 3.34Å; C84-L87 WeakPolarHBondContact O-CB 3.41Å; C84-L87 PolarHBondContact O-N 2.88Å; C84-V88 WeakPolarHBondContact O-CG2 3.38Å; C84-V88 PolarHBondContact O-N 2.83Å; C84-V88 VanDerWaalsContact O-N 3.08Å
85	M	89.6	Confident	89.1	Confident	40 Å²	40	52 Å²	52	20%	0.197	25%	0.25	C	C	.	.	H	α-helix	trans	-59.4	-36.7	178.4	-73.1	177.1	69.1	0	0	112.8	P27 I33 L44 L81 S83 Q89	P27-M85 HydrophobicContact CB-CE 4.35Å; P27-M85 HydrophobicContact CB-SD 4.19Å; I33-M85 HydrophobicContact CD1-CE 3.98Å; L44-M85 HydrophobicContact CD1-CG 4.28Å; L81-M85 HydrophobicContact CG-SD 4.26Å; L81-M85 WeakPolarHBondContact O-CG 3.38Å; L81-M85 PolarHBondContact O-N 3.14Å; S83-M85 PolarHBondContact O-N 3.45Å; M85-Q89 WeakPolarHBondContact O-CG 3.36Å; M85-Q89 PolarHBondContact O-N 3.4Å; M85-Q89 VanDerWaalsContact O-N 3.14Å
86	R	89.9	Confident	88.4	Confident	131 Å²	131	52.9 Å²	52.9	49%	0.494	26%	0.261	S	S	.	.	H	α-helix	trans	-68.1	-33.9	174	-71.2	173	-170.7	118.8	-9.6	112.6	L82 S83 C84 Q89 R90	L82-R86 VanDerWaalsContact O-CG 3.26Å; L82-R86 WeakPolarHBondContact O-CG 3.29Å; L82-R86 PolarHBondContact O-N 3.03Å; L82-R86 PolarHBondContact O-NH1 2.83Å; S83-R86 PolarHBondContact O-N 3.31Å; C84-R86 VanDerWaalsContact C-N 3.28Å; C84-R86 PolarHBondContact O-N 3.34Å; R86-Q89 PolarHBondContact O-N 3.02Å; R86-R90 WeakPolarHBondContact O-CG 3.26Å; R86-R90 PolarHBondContact O-N 2.86Å; R86-R90 VanDerWaalsContact O-N 3.12Å
87	L	88.5	Confident	87.8	Confident	34 Å²	34	58 Å²	58	18%	0.178	28%	0.283	C	S	.	.	H	α-helix	trans	-65.5	-48.5	174.5	-66.8	170.1	0	0	0	111.3	L40 S83 C84 Q89 R90 E91 H203	L40-L87 HydrophobicContact CD1-CB 4.02Å; L40-L87 HydrophobicContact CD1-CD1 3.79Å; L40-L87 HydrophobicContact CD2-CB 3.69Å; S83-L87 PolarHBondContact O-N 2.88Å; S83-L87 VanDerWaalsContact O-N 3.12Å; C84-L87 WeakPolarHBondContact O-CB 3.41Å; C84-L87 PolarHBondContact O-N 2.88Å; L87-Q89 PolarHBondContact O-N 3.42Å; L87-R90 PolarHBondContact O-N 2.98Å; L87-E91 WeakPolarHBondContact O-CB 3.48Å; L87-E91 PolarHBondContact O-N 2.84Å; L87-H203 HydrophobicContact CD1-CB 3.91Å; L87-H203 HydrophobicContact CD2-CB 4.01Å; L87-H203 HydrophobicContact CG-CB 4.27Å
88	V	87.1	Confident	86.8	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.018	31%	0.307	C	S	.	.	H	α-helix	trans	-61.7	-29.5	177.5	-173.8	0	0	0	0	112	I33 K34 L40 L44 C84 K92	I33-V88 HydrophobicContact CG2-CB 4.28Å; I33-V88 HydrophobicContact CG2-CG1 3.83Å; I33-V88 HydrophobicContact CG2-CG2 4.45Å; K34-V88 WeakPolarHBondContact O-CG1 3.33Å; L40-V88 HydrophobicContact CD1-CG2 4.44Å; L40-V88 HydrophobicContact CD2-CG2 3.68Å; L40-V88 HydrophobicContact CG-CG2 3.87Å; L44-V88 HydrophobicContact CD1-CG2 3.78Å; C84-V88 WeakPolarHBondContact O-CG2 3.38Å; C84-V88 PolarHBondContact O-N 2.83Å; C84-V88 VanDerWaalsContact O-N 3.08Å; V88-K92 HydrophobicContact CG1-CD 4.26Å; V88-K92 WeakPolarHBondContact O-CD 3.46Å; V88-K92 WeakPolarHBondContact O-CG 3.44Å; V88-K92 PolarHBondContact O-N 3.4Å
89	Q	87.2	Confident	85.7	Confident	124 Å²	124	63.8 Å²	63.8	58%	0.579	32%	0.323	S	S	*	.	H	α-helix	trans	-70.6	-38.3	172.5	-75.7	173.3	-13	0	0	112.9	M85 R86 L87 V93	M85-Q89 WeakPolarHBondContact O-CG 3.36Å; M85-Q89 PolarHBondContact O-N 3.4Å; M85-Q89 VanDerWaalsContact O-N 3.14Å; R86-Q89 PolarHBondContact O-N 3.02Å; L87-Q89 PolarHBondContact O-N 3.42Å; Q89-V93 WeakPolarHBondContact O-CG2 3.38Å; Q89-V93 PolarHBondContact O-N 2.76Å
90	R	86.4	Confident	84.2	Confident	151 Å²	151	69 Å²	69	57%	0.57	35%	0.346	S	S	*	.	H	α-helix	trans	-68.6	-47	174.5	-68	176	-163.5	156.2	2.2	111.6	R86 L87 K92 V93 E94	R86-R90 WeakPolarHBondContact O-CG 3.26Å; R86-R90 PolarHBondContact O-N 2.86Å; R86-R90 VanDerWaalsContact O-N 3.12Å; L87-R90 PolarHBondContact O-N 2.98Å; R90-K92 VanDerWaalsContact C-N 3.31Å; R90-K92 PolarHBondContact O-N 3.01Å; R90-V93 CarbonylContact O-C 3.46Å; R90-V93 WeakPolarHBondContact O-CA 2.97Å; R90-V93 WeakPolarHBondContact O-CB 3.4Å; R90-V93 PolarHBondContact O-N 3.19Å; R90-E94 PolarHBondContact O-N 2.84Å
91	E	85.3	Confident	82.2	Confident	32 Å²	32	73.5 Å²	73.5	15%	0.15	37%	0.366	C	S	.	.	H	α-helix	trans	-46.9	-54.7	175.9	-178.8	-175.9	-134.7	0	0	110.8	S35 S36 D37 L87 V93 E94 D95	S35-E91 WeakPolarHBondContact CA-OE2 3.25Å; S35-E91 WeakPolarHBondContact CB-OE2 3.49Å; S36-E91 WeakPolarHBondContact CA-OE1 3.31Å; S36-E91 VanDerWaalsContact CB-OE1 3.3Å; S36-E91 WeakPolarHBondContact CB-OE1 3.24Å; S36-E91 VanDerWaalsContact N-CD 3.3Å; S36-E91 PolarHBondContact N-OE1 3.1Å; S36-E91 PolarHBondContact N-OE2 3.02Å; S36-E91 PolarHBondContact OG-OE1 2.9Å; D37-E91 PolarHBondContact N-OE1 3.12Å; D37-E91 VanDerWaalsContact N-OE1 3.11Å; L87-E91 WeakPolarHBondContact O-CB 3.48Å; L87-E91 PolarHBondContact O-N 2.84Å; E91-V93 VanDerWaalsContact C-N 3.26Å; E91-V93 PolarHBondContact O-N 3.22Å; E91-E94 CarbonylContact O-C 3.45Å; E91-E94 PolarHBondContact O-N 2.69Å; E91-D95 VanDerWaalsContact O-CG 3.28Å; E91-D95 PolarHBondContact O-N 2.71Å
92	K	84.9	Confident	79.6	Confident	94 Å²	94	78.5 Å²	78.5	41%	0.409	40%	0.397	S	S	.	.	H	α-helix	trans	-63.7	-25.5	178.2	-71	170.4	-176.2	171.2	0	115	K34 V88 R90 A96	K34-K92 WeakPolarHBondContact O-CE 3.26Å; K34-K92 PolarHBondContact O-NZ 3.45Å; V88-K92 HydrophobicContact CG1-CD 4.26Å; V88-K92 WeakPolarHBondContact O-CD 3.46Å; V88-K92 WeakPolarHBondContact O-CG 3.44Å; V88-K92 PolarHBondContact O-N 3.4Å; R90-K92 VanDerWaalsContact C-N 3.31Å; R90-K92 PolarHBondContact O-N 3.01Å; K92-A96 VanDerWaalsContact O-CB 3.26Å; K92-A96 WeakPolarHBondContact O-CB 3.34Å; K92-A96 PolarHBondContact O-N 2.81Å; K92-A96 VanDerWaalsContact O-N 3.15Å
93	V	86.9	Confident	77.1	Confident	80 Å²	80	83.2 Å²	83.2	49%	0.485	42%	0.422	S	S	.	.	H	α-helix	trans	-77.6	-36.8	173.3	167.7	0	0	0	0	110.8	Q89 R90 E91 K97	Q89-V93 WeakPolarHBondContact O-CG2 3.38Å; Q89-V93 PolarHBondContact O-N 2.76Å; R90-V93 CarbonylContact O-C 3.46Å; R90-V93 WeakPolarHBondContact O-CA 2.97Å; R90-V93 WeakPolarHBondContact O-CB 3.4Å; R90-V93 PolarHBondContact O-N 3.19Å; E91-V93 VanDerWaalsContact C-N 3.26Å; E91-V93 PolarHBondContact O-N 3.22Å; V93-K97 WeakPolarHBondContact O-CG 3.28Å; V93-K97 PolarHBondContact O-N 2.84Å
94	E	80.6	Confident	74.6	Confident	78 Å²	78	87 Å²	87	36%	0.364	45%	0.448	S	S	.	.	H	α-helix	trans	-70.9	-41.2	172.9	-57.4	-42.9	126.2	0	0	112	R90 E91 A96 K97 H98	R90-E94 PolarHBondContact O-N 2.84Å; E91-E94 CarbonylContact O-C 3.45Å; E91-E94 PolarHBondContact O-N 2.69Å; E94-A96 VanDerWaalsContact C-N 3.32Å; E94-A96 PolarHBondContact O-N 3.34Å; E94-K97 WeakPolarHBondContact O-CB 3.28Å; E94-K97 PolarHBondContact O-N 3.33Å; E94-K97 VanDerWaalsContact O-N 3.1Å; E94-K97 IonicContact OE1-NZ 3.77Å; E94-K97 PolarHBondContact OE1-NZ 2.87Å; E94-K97 WeakPolarHBondContact OE2-CD 3.35Å; E94-K97 IonicContact OE2-NZ 2.76Å; E94-K97 PolarHBondContact OE2-NZ 3.49Å; E94-H98 PolarHBondContact O-N 3.11Å; E94-H98 PolarHBondContact O-ND1 3.22Å
95	D	80.9	Confident	71.9	Confident	80 Å²	80	90.8 Å²	90.8	43%	0.428	47%	0.467	S	S	.	.	H	α-helix	trans	-57	-46.5	172.7	-65.6	-26.5	0	0	0	110.8	E91 K97 H98 A99	E91-D95 VanDerWaalsContact O-CG 3.28Å; E91-D95 PolarHBondContact O-N 2.71Å; D95-K97 VanDerWaalsContact C-N 3.3Å; D95-K97 PolarHBondContact O-N 3.09Å; D95-H98 PolarHBondContact O-N 3.06Å; D95-A99 WeakPolarHBondContact O-CB 3.5Å; D95-A99 PolarHBondContact O-N 3.15Å
96	A	79.9	Confident	69.3	Low	49 Å²	49	93.1 Å²	93.1	41%	0.405	48%	0.484	S	S	.	.	H	α-helix	trans	-64.6	-30.7	176.7	0	0	0	0	0	113	K92 E94 N100	K92-A96 VanDerWaalsContact O-CB 3.26Å; K92-A96 WeakPolarHBondContact O-CB 3.34Å; K92-A96 PolarHBondContact O-N 2.81Å; K92-A96 VanDerWaalsContact O-N 3.15Å; E94-A96 VanDerWaalsContact C-N 3.32Å; E94-A96 PolarHBondContact O-N 3.34Å; A96-N100 PolarHBondContact O-N 3.43Å; A96-N100 PolarHBondContact O-ND2 2.87Å
97	K	80.3	Confident	66.7	Low	112 Å²	112	94 Å²	94	49%	0.487	50%	0.498	S	S	.	.	H	α-helix	trans	-70.8	-44.5	171.4	-72.6	160.7	174.7	174	0	111.6	V93 E94 D95 N100 K101	V93-K97 WeakPolarHBondContact O-CG 3.28Å; V93-K97 PolarHBondContact O-N 2.84Å; E94-K97 WeakPolarHBondContact O-CB 3.28Å; E94-K97 PolarHBondContact O-N 3.33Å; E94-K97 VanDerWaalsContact O-N 3.1Å; E94-K97 IonicContact OE1-NZ 3.77Å; E94-K97 PolarHBondContact OE1-NZ 2.87Å; E94-K97 WeakPolarHBondContact OE2-CD 3.35Å; E94-K97 IonicContact OE2-NZ 2.76Å; E94-K97 PolarHBondContact OE2-NZ 3.49Å; D95-K97 VanDerWaalsContact C-N 3.3Å; D95-K97 PolarHBondContact O-N 3.09Å; K97-N100 PolarHBondContact O-N 3.39Å; K97-K101 PolarHBondContact O-N 2.98Å
98	H	72.9	Confident	64.2	Low	110 Å²	110	100.3 Å²	100.3	51%	0.509	53%	0.531	S	S	.	.	H	α-helix	trans	-64.6	-41.7	179.2	-73.8	78.7	0	0	0	111.3	E94 D95 N100 K101	E94-H98 PolarHBondContact O-N 3.11Å; E94-H98 PolarHBondContact O-ND1 3.22Å; D95-H98 PolarHBondContact O-N 3.06Å; H98-N100 PolarHBondContact O-N 3.23Å; H98-K101 PolarHBondContact O-N 2.95Å
99	A	70.5	Confident	61.4	Low	78 Å²	78	106.8 Å²	106.8	65%	0.645	56%	0.558	S	S	*	*	H	α-helix	trans	-62.2	-25.8	175.4	0	0	0	0	0	113.7	D95	D95-A99 WeakPolarHBondContact O-CB 3.5Å; D95-A99 PolarHBondContact O-N 3.15Å
100	N	60.3	Low	58.6	Low	139 Å²	139	106.2 Å²	106.2	74%	0.743	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-6.4	173.8	-76.1	-54	0	0	0	113.5	A96 K97 H98 T102	A96-N100 PolarHBondContact O-N 3.43Å; A96-N100 PolarHBondContact O-ND2 2.87Å; K97-N100 PolarHBondContact O-N 3.39Å; H98-N100 PolarHBondContact O-N 3.23Å; N100-T102 PolarHBondContact O-N 2.95Å
101	K	51.9	Low	55.9	Low	118 Å²	118	103.5 Å²	103.5	51%	0.513	57%	0.566	S	S	.	*			trans	-101.2	58.6	-178	-154.5	-173.1	-177	-164.6	0	111.9	K97 H98 D105	K97-K101 PolarHBondContact O-N 2.98Å; H98-K101 PolarHBondContact O-N 2.95Å; K101-D105 WeakPolarHBondContact CD-OD2 3.28Å; K101-D105 WeakPolarHBondContact CE-OD2 3.44Å; K101-D105 VanDerWaalsContact NZ-CG 3.26Å; K101-D105 IonicContact NZ-OD1 2.66Å; K101-D105 PolarHBondContact NZ-OD1 2.72Å; K101-D105 VanDerWaalsContact NZ-OD1 3.16Å; K101-D105 IonicContact NZ-OD2 2.77Å; K101-D105 PolarHBondContact NZ-OD2 3.14Å
102	T	37	Very low	53.2	Low	110 Å²	110	106.8 Å²	106.8	68%	0.675	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	140.5	179.5	-40.8	0	0	0	0	112.1	N100	N100-T102 PolarHBondContact O-N 2.95Å
103	L	37.7	Very low	50.6	Low	163 Å²	163	108.8 Å²	108.8	85%	0.853	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	79.6	17.6	154.7	-104.4	167.3	0	0	0	121.3
104	S	37.3	Very low	47.9	Very low	89 Å²	89	113.5 Å²	113.5	62%	0.622	62%	0.62	S	S	*	*	S	Bend	trans	-143.4	-27.2	171.4	64.2	0	0	0	0	119.9
105	D	35.7	Very low	45.2	Very low	92 Å²	92	115.8 Å²	115.8	49%	0.492	64%	0.635	S	S	.	*	S	Bend	trans	-92	-6.4	-170	-78.9	6.9	0	0	0	116	K101 L107 L108	K101-D105 WeakPolarHBondContact CD-OD2 3.28Å; K101-D105 WeakPolarHBondContact CE-OD2 3.44Å; K101-D105 VanDerWaalsContact NZ-CG 3.26Å; K101-D105 IonicContact NZ-OD1 2.66Å; K101-D105 PolarHBondContact NZ-OD1 2.72Å; K101-D105 VanDerWaalsContact NZ-OD1 3.16Å; K101-D105 IonicContact NZ-OD2 2.77Å; K101-D105 PolarHBondContact NZ-OD2 3.14Å; D105-L107 PolarHBondContact O-N 3.27Å; D105-L108 PolarHBondContact O-N 3.41Å
106	T	34.1	Very low	42.5	Very low	88 Å²	88	116.4 Å²	116.4	54%	0.54	66%	0.661	S	S	.	*	G	3₁₀ helix	trans	-59.9	-40.4	-165.4	-40.8	0	0	0	0	113.9	L108 K109 E110	T106-L108 PolarHBondContact O-N 2.97Å; T106-K109 PolarHBondContact O-N 3.11Å; T106-E110 HydrophobicContact CG2-CG 4.41Å
107	L	35	Very low	40	Very low	151 Å²	151	118.8 Å²	118.8	79%	0.791	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-64.7	-13.9	-171.2	-77.9	169.3	0	0	0	115.4	D105	D105-L107 PolarHBondContact O-N 3.27Å
108	L	36	Very low	37.5	Very low	165 Å²	165	121 Å²	121	86%	0.864	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-101.4	-1.4	-178.9	-66.5	179.4	0	0	0	114.7	D105 T106	D105-L108 PolarHBondContact O-N 3.41Å; T106-L108 PolarHBondContact O-N 2.97Å
109	K	28.9	Very low	35.6	Very low	139 Å²	139	124.2 Å²	124.2	60%	0.604	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	-28.5	172.9	-90.3	178.8	174.5	173.6	0	113.8	T106 A111 S112	T106-K109 PolarHBondContact O-N 3.11Å; K109-A111 PolarHBondContact O-N 3.15Å; K109-S112 PolarHBondContact O-N 2.7Å; K109-S112 VanDerWaalsContact O-N 3.14Å; K109-S112 PolarHBondContact O-OG 2.89Å
110	E	28.1	Very low	33.8	Very low	112 Å²	112	128.3 Å²	128.3	52%	0.523	70%	0.704	S	S	.	*	G	3₁₀ helix	trans	-68.5	-21.2	-175.4	-67.7	-179.8	136.2	0	0	113.7	T106 S112 I113	T106-E110 HydrophobicContact CG2-CG 4.41Å; E110-S112 PolarHBondContact O-N 3.33Å; E110-I113 PolarHBondContact O-N 2.78Å
111	A	29.7	Very low	33.1	Very low	94 Å²	94	130.3 Å²	130.3	78%	0.777	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-59.1	-9.4	170.1	0	0	0	0	0	114.6	K109	K109-A111 PolarHBondContact O-N 3.15Å
112	S	29.3	Very low	33.2	Very low	102 Å²	102	127.9 Å²	127.9	71%	0.713	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-97.7	0.8	173.7	67.1	0	0	0	0	114.9	K109 E110	K109-S112 PolarHBondContact O-N 2.7Å; K109-S112 VanDerWaalsContact O-N 3.14Å; K109-S112 PolarHBondContact O-OG 2.89Å; E110-S112 PolarHBondContact O-N 3.33Å
113	I	30.7	Very low	34.7	Very low	136 Å²	136	126.7 Å²	126.7	70%	0.697	70%	0.699	S	S	*	*			trans	-119.1	26.9	-175.9	-37.3	-179.1	0	0	0	111.6	E110	E110-I113 PolarHBondContact O-N 2.78Å
114	F	28.5	Very low	36.7	Very low	178 Å²	178	122.8 Å²	122.8	78%	0.781	68%	0.676	S	S	*	*	S	Bend	trans	-86.9	129.3	165	-124.7	-93.9	0	0	0	110.7
115	N	24	Very low	38.9	Very low	127 Å²	127	118.9 Å²	118.9	68%	0.679	65%	0.649	S	S	*	*	S	Bend	trans	65.6	100.9	-177.8	-56.7	-29.4	0	0	0	115.6	T117	N115-T117 PolarHBondContact O-N 2.72Å
116	G	25.7	Very low	41	Very low	93 Å²	93	118.9 Å²	118.9	96%	0.959	65%	0.645	S	S	*	*			trans	-69.8	40	179.3	0	0	0	0	0	116.4
117	T	25.4	Very low	43.2	Very low	99 Å²	99	117.2 Å²	117.2	61%	0.607	64%	0.635	S	S	*	*			trans	-84.7	118.2	171.1	57.1	0	0	0	0	110.9	N115 L119	N115-T117 PolarHBondContact O-N 2.72Å; T117-L119 PolarHBondContact O-N 3.39Å
118	I	28.5	Very low	45.6	Very low	157 Å²	157	111.3 Å²	111.3	81%	0.805	61%	0.611	S	S	*	*			trans	-1.8	114.7	165	-55.5	169	0	0	0	113.9	R120	I118-R120 VanDerWaalsContact C-N 3.34Å; I118-R120 PolarHBondContact O-N 3.27Å
119	L	33.9	Very low	48.3	Very low	178 Å²	178	107.7 Å²	107.7	93%	0.932	59%	0.587	S	S	*	*			trans	-32.5	86.7	172.8	-98.4	151	0	0	0	113.2	T117 K121	T117-L119 PolarHBondContact O-N 3.39Å; L119-K121 PolarHBondContact O-N 3.22Å
120	R	33.1	Very low	51.3	Low	164 Å²	164	101.1 Å²	101.1	62%	0.619	56%	0.558	S	S	*	*			trans	-69.1	128.4	170.2	-66.9	-169.4	-168.7	171.8	9	106.5	I118 S122	I118-R120 VanDerWaalsContact C-N 3.34Å; I118-R120 PolarHBondContact O-N 3.27Å; R120-S122 PolarHBondContact O-N 3.06Å; R120-S122 VanDerWaalsContact O-N 3.15Å
121	K	45.4	Very low	54.4	Low	182 Å²	182	96.9 Å²	96.9	79%	0.791	54%	0.538	S	S	*	.			trans	-53.4	124.3	170.9	-172.3	174.4	-174.9	176.9	0	107.5	L119 C123	L119-K121 PolarHBondContact O-N 3.22Å; K121-C123 PolarHBondContact O-N 3.41Å; K121-C123 VanDerWaalsContact O-N 3.15Å
122	S	52.8	Low	57.5	Low	67 Å²	67	92.4 Å²	92.4	47%	0.469	50%	0.501	S	S	.	.			trans	-42.7	121.1	-173.7	179.7	0	0	0	0	111	R120 F124	R120-S122 PolarHBondContact O-N 3.06Å; R120-S122 VanDerWaalsContact O-N 3.15Å; S122-F124 WeakPolarHBondContact CB-O 3.41Å; S122-F124 PolarHBondContact O-N 2.91Å; S122-F124 PolarHBondContact OG-N 2.92Å; S122-F124 PolarHBondContact OG-O 3.49Å
123	C	68.7	Low	60.6	Low	84 Å²	84	87.6 Å²	87.6	57%	0.568	47%	0.468	S	S	*	.	S	Bend	trans	-64.1	-23.3	175.8	-61.6	0	0	0	0	111.4	K121	K121-C123 PolarHBondContact O-N 3.41Å; K121-C123 VanDerWaalsContact O-N 3.15Å
124	F	80.7	Confident	63.7	Low	81 Å²	81	81.1 Å²	81.1	36%	0.355	43%	0.434	S	S	.	.	S	Bend	trans	-99.6	144.5	176.6	-56.9	-73.5	0	0	0	112.5	S122 P377 S380	S122-F124 WeakPolarHBondContact CB-O 3.41Å; S122-F124 PolarHBondContact O-N 2.91Å; S122-F124 PolarHBondContact OG-N 2.92Å; S122-F124 PolarHBondContact OG-O 3.49Å; F124-P377 CarbonylContact C-O 3.58Å; F124-P377 WeakPolarHBondContact CA-O 3.32Å; F124-P377 WeakPolarHBondContact CB-O 3.39Å; F124-P377 HydrophobicContact CD1-CB 4.05Å; F124-P377 HydrophobicContact CD1-CG 3.82Å; F124-P377 WeakPolarHBondContact CD1-O 3.25Å; F124-P377 HydrophobicContact CE1-CB 4.32Å; F124-P377 HydrophobicContact CE1-CG 4.06Å; F124-S380 WeakPolarHBondContact CE1-OG 3.47Å; F124-S380 WeakPolarHBondContact CZ-OG 3.28Å
125	A	82.8	Confident	66.9	Low	8 Å²	8	72.8 Å²	72.8	7%	0.066	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-62.9	147.6	167	0	0	0	0	0	111.4	H372 L376 P377 L378	A125-H372 HydrophobicContact CB-CB 3.75Å; A125-L376 HydrophobicContact CB-CB 4.1Å; A125-P377 PolarHBondContact N-O 3.02Å; A125-L378 HydrophobicContact CB-CD2 3.81Å; A125-L378 HydrophobicContact CB-CG 4.33Å
126	K	80.3	Confident	70.2	Confident	92 Å²	92	69 Å²	69	40%	0.4	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-86.7	119.4	165.3	-58.6	170.2	-176	170.8	0	107.8	Y129 D231	K126-Y129 HydrophobicContact CB-CD2 3.44Å; K126-Y129 VanDerWaalsContact CB-CD2 3.44Å; K126-Y129 HydrophobicContact CB-CE2 4.09Å; K126-Y129 HydrophobicContact CB-CG 3.99Å; K126-Y129 HydrophobicContact CD-CD2 4.17Å; K126-Y129 HydrophobicContact CD-CE2 4.39Å; K126-Y129 HydrophobicContact CD-CG 4.3Å; K126-Y129 HydrophobicContact CG-CD2 4.47Å; K126-Y129 PolarHBondContact O-N 3.17Å; K126-D231 IonicContact NZ-OD1 3.77Å; K126-D231 IonicContact NZ-OD2 3.76Å; K126-D231 PolarHBondContact NZ-OD2 3.43Å
127	P	79.5	Confident	73.6	Confident	53 Å²	53	64.7 Å²	64.7	34%	0.344	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	138.8	177.3	24.7	-32.7	0	0	0	111.1	Y129 L378 I866 E873	P127-Y129 VanDerWaalsContact C-N 3.34Å; P127-Y129 WeakPolarHBondContact O-CD2 3.48Å; P127-L378 HydrophobicContact CB-CD2 3.77Å; P127-L378 HydrophobicContact CG-CD2 4.24Å; P127-I866 HydrophobicContact CB-CD1 4.32Å; P127-I866 HydrophobicContact CG-CD1 3.96Å; P127-E873 WeakPolarHBondContact CA-OE1 3.27Å
128	G	86	Confident	77	Confident	27 Å²	27	64.5 Å²	64.5	28%	0.278	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	-3	-178.1	0	0	0	0	0	115	E873	G128-E873 PolarHBondContact N-OE1 2.89Å
129	Y	91.6	Very high	80.3	Confident	89 Å²	89	57 Å²	57	35%	0.349	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.4	179.4	-67.4	-98.5	0	0	0	111.6	K126 P127 D231 V232 T233 H372	K126-Y129 HydrophobicContact CB-CD2 3.44Å; K126-Y129 VanDerWaalsContact CB-CD2 3.44Å; K126-Y129 HydrophobicContact CB-CE2 4.09Å; K126-Y129 HydrophobicContact CB-CG 3.99Å; K126-Y129 HydrophobicContact CD-CD2 4.17Å; K126-Y129 HydrophobicContact CD-CE2 4.39Å; K126-Y129 HydrophobicContact CD-CG 4.3Å; K126-Y129 HydrophobicContact CG-CD2 4.47Å; K126-Y129 PolarHBondContact O-N 3.17Å; P127-Y129 VanDerWaalsContact C-N 3.34Å; P127-Y129 WeakPolarHBondContact O-CD2 3.48Å; Y129-D231 HydrophobicContact CD1-CB 4.07Å; Y129-V232 WeakPolarHBondContact CA-O 3.45Å; Y129-T233 HydrophobicContact CD1-CG2 4.06Å; Y129-T233 HydrophobicContact CE1-CG2 3.8Å; Y129-H372 PolarHBondContact O-CD2 3.08Å; Y129-H372 PolarHBondContact O-N 3.22Å
130	A	92.6	Very high	83.2	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	162.9	179.9	0	0	0	0	0	112.3	D231 V232 A369 Q370 W877	A130-D231 PolarHBondContact O-N 3.34Å; A130-V232 PolarHBondContact N-O 3.31Å; A130-V232 PolarHBondContact O-N 3.16Å; A130-A369 HydrophobicContact CB-CB 4.43Å; A130-Q370 WeakPolarHBondContact CA-O 3.15Å; A130-Q370 WeakPolarHBondContact CB-O 3.39Å; A130-W877 HydrophobicContact CB-CD2 4.4Å; A130-W877 HydrophobicContact CB-CH2 3.71Å; A130-W877 HydrophobicContact CB-CZ2 3.47Å; A130-W877 VanDerWaalsContact CB-CZ2 3.47Å; A130-W877 HydrophobicContact CB-CZ3 4.26Å
131	Q	93.2	Very high	86.1	Confident	23 Å²	23	42.4 Å²	42.4	11%	0.107	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	123.8	159	-175.1	171.5	60.7	0	0	108.7	F229 D230 A369 Q370 I888	Q131-F229 CarbonylContact C-O 3.59Å; Q131-F229 WeakPolarHBondContact CA-O 3.03Å; Q131-D230 PolarHBondContact NE2-OD1 3.34Å; Q131-A369 CarbonylContact O-C 3.53Å; Q131-A369 WeakPolarHBondContact O-CA 3.26Å; Q131-Q370 PolarHBondContact N-O 3.39Å; Q131-Q370 PolarHBondContact O-N 3.41Å; Q131-I888 HydrophobicContact CB-CD1 4.26Å; Q131-I888 HydrophobicContact CG-CD1 4.16Å; Q131-I888 HydrophobicContact CG-CG2 3.96Å; Q131-I888 WeakPolarHBondContact O-CD1 3.47Å; Q131-I888 VanDerWaalsContact OE1-CG2 3.29Å
132	L	94.6	Very high	88.2	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	140	176.5	-170.3	72.8	0	0	0	109.6	V201 T228 F229 V232 F236 C238 L367 I368 A369	L132-V201 HydrophobicContact CD2-CG1 4.38Å; L132-V201 HydrophobicContact CD2-CG2 4.19Å; L132-T228 CarbonylContact O-C 3.59Å; L132-T228 VanDerWaalsContact O-CA 3.29Å; L132-T228 WeakPolarHBondContact O-CA 3.43Å; L132-F229 HydrophobicContact CB-CB 4.38Å; L132-F229 PolarHBondContact N-O 2.87Å; L132-F229 PolarHBondContact O-N 3.24Å; L132-V232 HydrophobicContact CB-CB 4.28Å; L132-V232 HydrophobicContact CB-CG1 4.32Å; L132-V232 HydrophobicContact CB-CG2 3.99Å; L132-V232 HydrophobicContact CD2-CG1 4.33Å; L132-F236 HydrophobicContact CD1-CE1 4.14Å; L132-F236 HydrophobicContact CD1-CE2 4.05Å; L132-F236 HydrophobicContact CD1-CZ 3.75Å; L132-F236 HydrophobicContact CD2-CD2 3.71Å; L132-F236 HydrophobicContact CD2-CE2 3.64Å; L132-F236 HydrophobicContact CD2-CG 4.35Å; L132-F236 HydrophobicContact CD2-CZ 4.2Å; L132-C238 HydrophobicContact CD2-CB 4.33Å; L132-L367 HydrophobicContact CD1-CD1 3.78Å; L132-L367 HydrophobicContact CD1-CG 4.06Å; L132-L367 HydrophobicContact CD2-CD1 4.13Å; L132-L367 HydrophobicContact CG-CD1 3.88Å; L132-I368 CarbonylContact C-O 3.57Å; L132-A369 HydrophobicContact CD1-CB 3.95Å
133	C	95.2	Very high	89.7	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.014	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	118.1	178.9	-176	0	0	0	0	110.8	W227 T228 L367 I368 I888	C133-W227 WeakPolarHBondContact CA-O 2.97Å; C133-T228 HydrophobicContact CB-CG2 4.44Å; C133-L367 WeakPolarHBondContact O-CA 3.32Å; C133-I368 PolarHBondContact N-O 2.75Å; C133-I368 PolarHBondContact O-N 3.01Å; C133-I888 HydrophobicContact CB-CB 4.35Å; C133-I888 HydrophobicContact CB-CD1 3.89Å; C133-I888 HydrophobicContact CB-CG1 3.82Å; C133-I888 HydrophobicContact CB-CG2 3.77Å
134	L	95.9	Very high	89.6	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133.3	169.6	-178.5	66.4	0	0	0	109.3	I137 I199 K226 W227 I240 Y365 L367	L134-I137 HydrophobicContact CD1-CG1 4.48Å; L134-I137 HydrophobicContact CD2-CD1 3.69Å; L134-I137 HydrophobicContact CD2-CG1 4.4Å; L134-I137 HydrophobicContact CG-CD1 3.97Å; L134-I137 HydrophobicContact CG-CG1 4.2Å; L134-I199 HydrophobicContact CD2-CD1 3.95Å; L134-I199 HydrophobicContact CD2-CG1 4.03Å; L134-I199 HydrophobicContact CD2-CG2 3.68Å; L134-K226 WeakPolarHBondContact O-CA 3.46Å; L134-W227 HydrophobicContact CG-CE3 4.47Å; L134-W227 PolarHBondContact N-O 3Å; L134-W227 PolarHBondContact O-N 3.25Å; L134-I240 HydrophobicContact CD1-CD1 4.27Å; L134-I240 HydrophobicContact CD2-CD1 3.8Å; L134-I240 HydrophobicContact CD2-CG1 4.17Å; L134-Y365 HydrophobicContact CD1-CD2 3.5Å; L134-Y365 VanDerWaalsContact CD1-CD2 3.5Å; L134-Y365 HydrophobicContact CD1-CE2 4.26Å; L134-Y365 HydrophobicContact CD1-CG 3.76Å; L134-L367 HydrophobicContact CB-CD1 4.14Å; L134-L367 HydrophobicContact CD1-CD1 4.15Å
135	S	95.1	Very high	88.2	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.014	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	174.1	176	62.3	0	0	0	0	113	I137 R366	S135-I137 VanDerWaalsContact C-N 3.3Å; S135-I137 PolarHBondContact O-N 3.1Å; S135-R366 PolarHBondContact N-O 2.94Å; S135-R366 PolarHBondContact O-N 2.85Å
136	D	94.1	Very high	86.7	Confident	49 Å²	49	48 Å²	48	26%	0.262	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	59.4	40.7	171.6	-36.1	-77.7	0	0	0	111.9	R138 V308 R366	D136-R138 PolarHBondContact O-N 3Å; D136-V308 HydrophobicContact CB-CG2 3.88Å; D136-R366 IonicContact OD1-NH2 3.69Å; D136-R366 PolarHBondContact OD1-NH2 2.71Å; D136-R366 WeakPolarHBondContact OD2-CB 3.35Å; D136-R366 IonicContact OD2-CZ 3.62Å; D136-R366 IonicContact OD2-NE 2.82Å; D136-R366 PolarHBondContact OD2-NE 2.59Å; D136-R366 IonicContact OD2-NH2 2.65Å; D136-R366 PolarHBondContact OD2-NH2 3.36Å
137	I	96.6	Very high	85.1	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	126.4	-176.8	-54.9	177.3	0	0	0	109.2	L134 S135 I199 F223 W227 I363 C364	L134-I137 HydrophobicContact CD1-CG1 4.48Å; L134-I137 HydrophobicContact CD2-CD1 3.69Å; L134-I137 HydrophobicContact CD2-CG1 4.4Å; L134-I137 HydrophobicContact CG-CD1 3.97Å; L134-I137 HydrophobicContact CG-CG1 4.2Å; S135-I137 VanDerWaalsContact C-N 3.3Å; S135-I137 PolarHBondContact O-N 3.1Å; I137-I199 HydrophobicContact CD1-CD1 3.97Å; I137-F223 HydrophobicContact CB-CB 4.29Å; I137-F223 HydrophobicContact CB-CD2 4.15Å; I137-F223 HydrophobicContact CG2-CD2 4.08Å; I137-F223 PolarHBondContact N-O 3Å; I137-F223 PolarHBondContact O-N 3.39Å; I137-W227 HydrophobicContact CD1-CE3 3.97Å; I137-W227 HydrophobicContact CD1-CH2 3.89Å; I137-W227 HydrophobicContact CD1-CZ3 3.37Å; I137-W227 HydrophobicContact CG1-CZ3 3.9Å; I137-I363 HydrophobicContact CG2-CD1 3.81Å; I137-I363 HydrophobicContact CG2-CG1 4.11Å; I137-C364 CarbonylContact C-O 3.52Å; I137-C364 WeakPolarHBondContact CA-O 3.08Å
138	R	96.6	Very high	83.3	Confident	95 Å²	95	50 Å²	50	36%	0.358	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	132.7	179.4	171.4	177.6	173.9	146.3	-9.7	110.7	D136 D220 I221 E222 C364	D136-R138 PolarHBondContact O-N 3Å; R138-D220 HydrophobicContact CG-CB 4.12Å; R138-D220 IonicContact CZ-OD1 2.58Å; R138-D220 IonicContact CZ-OD2 3.02Å; R138-D220 IonicContact NE-OD1 2.61Å; R138-D220 PolarHBondContact NE-OD1 2.9Å; R138-D220 IonicContact NE-OD2 3.71Å; R138-D220 IonicContact NH2-OD1 2.76Å; R138-D220 PolarHBondContact NH2-OD1 3.3Å; R138-D220 IonicContact NH2-OD2 2.71Å; R138-D220 PolarHBondContact NH2-OD2 3.39Å; R138-I221 CarbonylContact C-O 3.59Å; R138-I221 VanDerWaalsContact CA-O 3.28Å; R138-I221 WeakPolarHBondContact CA-O 3.15Å; R138-E222 HydrophobicContact CB-CG 4.16Å; R138-E222 VanDerWaalsContact CD-OE1 3.3Å; R138-E222 WeakPolarHBondContact CD-OE1 3.48Å; R138-E222 HydrophobicContact CG-CG 3.95Å; R138-E222 IonicContact CZ-OE1 2.86Å; R138-E222 IonicContact NE-OE1 3.38Å; R138-E222 IonicContact NH1-OE1 3.62Å; R138-E222 PolarHBondContact NH1-OE1 3.37Å; R138-C364 HydrophobicContact CB-CB 4.1Å; R138-C364 PolarHBondContact N-O 3.02Å; R138-C364 PolarHBondContact O-N 3.03Å
139	I	96.9	Very high	81.6	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	103.5	178.7	-58.3	163.3	0	0	0	108.2	L141 L195 D220 I221 F223 I242 L359 I363	I139-L141 HydrophobicContact CG2-CD2 4.42Å; I139-L195 HydrophobicContact CD1-CD2 3.93Å; I139-D220 WeakPolarHBondContact O-CA 3.42Å; I139-I221 HydrophobicContact CB-CB 4.34Å; I139-I221 PolarHBondContact N-O 2.73Å; I139-I221 PolarHBondContact O-N 3.46Å; I139-F223 HydrophobicContact CD1-CE2 4.16Å; I139-I242 HydrophobicContact CD1-CD1 3.91Å; I139-I242 HydrophobicContact CD1-CG1 4.23Å; I139-I242 HydrophobicContact CD1-CG2 4.21Å; I139-I242 HydrophobicContact CG1-CD1 4.28Å; I139-L359 HydrophobicContact CG2-CD2 3.71Å; I139-I363 HydrophobicContact CG1-CD1 4.17Å; I139-I363 HydrophobicContact CG1-CG1 4.04Å
140	P	95.7	Very high	79.8	Confident	22 Å²	22	49.5 Å²	49.5	14%	0.143	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	145.1	175.7	-16.6	31.3	0	0	0	112.1	D220 F360 N362	P140-D220 WeakPolarHBondContact CA-OD1 3.45Å; P140-D220 WeakPolarHBondContact CB-OD1 3Å; P140-D220 WeakPolarHBondContact CG-OD1 3.41Å; P140-F360 HydrophobicContact CB-CB 3.85Å; P140-F360 HydrophobicContact CB-CG 4.31Å; P140-F360 VanDerWaalsContact O-CB 3.25Å; P140-F360 WeakPolarHBondContact O-CB 3.43Å; P140-F360 PolarHBondContact O-N 3.05Å; P140-N362 WeakPolarHBondContact CD-O 3.47Å
141	L	93.7	Very high	77.6	Confident	14 Å²	14	53.3 Å²	53.3	7%	0.073	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-117.8	156	-179.8	-55.9	-177	0	0	0	111.1	I139 W143 I214 A219 I221 L357 P358 L359	I139-L141 HydrophobicContact CG2-CD2 4.42Å; L141-W143 HydrophobicContact CD1-CZ2 3.82Å; L141-I214 HydrophobicContact CD1-CG2 4.19Å; L141-A219 PolarHBondContact N-O 3.35Å; L141-I221 HydrophobicContact CD1-CD1 4.1Å; L141-I221 HydrophobicContact CD1-CG1 4.03Å; L141-I221 HydrophobicContact CD2-CD1 4.22Å; L141-I221 HydrophobicContact CG-CD1 4.48Å; L141-I221 HydrophobicContact CG-CG1 4.39Å; L141-L357 HydrophobicContact CD1-CD1 4Å; L141-L357 HydrophobicContact CD2-CD1 4.09Å; L141-P358 CarbonylContact C-O 3.56Å; L141-P358 VanDerWaalsContact CA-O 3.27Å; L141-P358 WeakPolarHBondContact CA-O 3.5Å; L141-L359 HydrophobicContact CD2-CD2 3.84Å
142	I	89.5	Confident	75.6	Confident	67 Å²	67	58.2 Å²	58.2	34%	0.344	31%	0.312	S	S	.	.			trans	-135.5	82.9	-177.9	-170	167.1	0	0	0	112.8	R144 P358 F360	I142-R144 PolarHBondContact O-N 3.28Å; I142-P358 PolarHBondContact N-O 2.74Å; I142-P358 WeakPolarHBondContact O-CB 3.33Å; I142-F360 HydrophobicContact CB-CD2 4.21Å; I142-F360 HydrophobicContact CD1-CD2 4.19Å; I142-F360 HydrophobicContact CD1-CE2 4.36Å
143	W	84.4	Confident	73.7	Confident	55 Å²	55	63.6 Å²	63.6	21%	0.208	34%	0.337	C	S	.	.			trans	-66.9	97.9	176	-53.8	97.4	0	0	0	111.3	L141 N145 Y193 P216 G217 T218 L357 P358	L141-W143 HydrophobicContact CD1-CZ2 3.82Å; W143-N145 PolarHBondContact O-N 3.38Å; W143-Y193 AromaticContact CH2-CD2 3.99Å; W143-Y193 HydrophobicContact CH2-CD2 3.99Å; W143-Y193 AromaticContact CH2-CE2 3.76Å; W143-Y193 HydrophobicContact CH2-CE2 3.76Å; W143-Y193 AromaticContact CZ3-CE2 3.91Å; W143-Y193 HydrophobicContact CZ3-CE2 3.91Å; W143-P216 HydrophobicContact CD2-CB 4.19Å; W143-P216 HydrophobicContact CE3-CB 3.81Å; W143-P216 HydrophobicContact CE3-CG 4.33Å; W143-P216 HydrophobicContact CH2-CB 4.45Å; W143-P216 HydrophobicContact CH2-CG 4.44Å; W143-P216 HydrophobicContact CZ3-CB 3.96Å; W143-P216 HydrophobicContact CZ3-CG 4.01Å; W143-G217 VanDerWaalsContact CD1-N 3.34Å; W143-T218 PolarHBondContact NE1-O 3.25Å; W143-L357 HydrophobicContact CH2-CD1 4.15Å; W143-L357 HydrophobicContact CZ2-CD1 4.44Å; W143-P358 HydrophobicContact CD2-CG 3.87Å; W143-P358 HydrophobicContact CE3-CG 3.52Å; W143-P358 HydrophobicContact CH2-CG 4.1Å; W143-P358 HydrophobicContact CZ2-CG 4.4Å; W143-P358 HydrophobicContact CZ3-CG 3.65Å
144	R	67.8	Low	71.8	Confident	203 Å²	203	66.8 Å²	66.8	77%	0.766	35%	0.354	S	S	*	.			trans	-73.9	112.2	177.2	-58.9	-170.8	-168.3	105.3	4.1	110.4	I142 I146	I142-R144 PolarHBondContact O-N 3.28Å; R144-I146 PolarHBondContact O-N 3.34Å; R144-I146 VanDerWaalsContact O-N 3.12Å
145	N	50.7	Low	69.9	Low	159 Å²	159	70 Å²	70	85%	0.85	37%	0.374	S	S	*	.			trans	35.7	60.1	163	-65.9	-2.9	0	0	0	116.1	W143 A147	W143-N145 PolarHBondContact O-N 3.38Å; N145-A147 PolarHBondContact O-N 3.42Å
146	I	51.2	Low	68.1	Low	55 Å²	55	74.5 Å²	74.5	28%	0.282	40%	0.395	S	S	.	.			trans	-51.3	133.8	140.8	-29.1	175.6	0	0	0	106	R144 T150 P216	R144-I146 PolarHBondContact O-N 3.34Å; R144-I146 VanDerWaalsContact O-N 3.12Å; I146-T150 HydrophobicContact CG2-CG2 3.64Å; I146-P216 HydrophobicContact CD1-CB 3.53Å
147	A	46	Very low	66.5	Low	61 Å²	61	76.8 Å²	76.8	50%	0.504	41%	0.405	S	S	.	.			trans	-51.6	144.4	-168.4	0	0	0	0	0	111.8	N145 G149 T150	N145-A147 PolarHBondContact O-N 3.42Å; A147-G149 PolarHBondContact O-N 3.35Å; A147-T150 WeakPolarHBondContact O-CB 3.44Å; A147-T150 PolarHBondContact O-N 3.09Å; A147-T150 PolarHBondContact O-OG1 2.93Å; A147-T150 VanDerWaalsContact O-OG1 3.14Å
148	P	42.8	Very low	64.8	Low	126 Å²	126	84 Å²	84	82%	0.818	44%	0.438	S	S	*	.	H	α-helix	trans	-54.8	-24.7	-165.9	-31.1	36.7	0	0	0	116.4
149	G	48.9	Very low	62.8	Low	52 Å²	52	85.1 Å²	85.1	54%	0.536	45%	0.451	S	S	.	.	H	α-helix	trans	-76.2	-20.2	173.5	0	0	0	0	0	115.5	A147 M152 H153	A147-G149 PolarHBondContact O-N 3.35Å; G149-M152 WeakPolarHBondContact O-CB 3.17Å; G149-M152 PolarHBondContact O-N 3.05Å; G149-H153 WeakPolarHBondContact O-CB 3.5Å; G149-H153 PolarHBondContact O-N 3.4Å
150	T	53.5	Low	60.8	Low	54 Å²	54	91.4 Å²	91.4	33%	0.331	48%	0.478	S	S	.	.	H	α-helix	trans	-74.1	-38.8	-169.9	-43.5	0	0	0	0	113	I146 A147 M152 H153 L154	I146-T150 HydrophobicContact CG2-CG2 3.64Å; A147-T150 WeakPolarHBondContact O-CB 3.44Å; A147-T150 PolarHBondContact O-N 3.09Å; A147-T150 PolarHBondContact O-OG1 2.93Å; A147-T150 VanDerWaalsContact O-OG1 3.14Å; T150-M152 VanDerWaalsContact C-N 3.31Å; T150-H153 PolarHBondContact O-N 2.9Å; T150-L154 HydrophobicContact CG2-CD1 4.41Å; T150-L154 PolarHBondContact O-N 2.98Å
151	N	46.8	Very low	58.3	Low	80 Å²	80	94.6 Å²	94.6	43%	0.428	50%	0.499	S	S	.	.	H	α-helix	trans	-67.4	-34.2	172.4	-75.6	-12.5	0	0	0	111.6	T155	N151-T155 VanDerWaalsContact O-CB 3.29Å; N151-T155 WeakPolarHBondContact O-CB 3.43Å; N151-T155 PolarHBondContact O-N 2.91Å; N151-T155 PolarHBondContact O-OG1 3.25Å
152	M	51.1	Low	55.9	Low	126 Å²	126	100.2 Å²	100.2	62%	0.621	53%	0.534	S	S	*	.	H	α-helix	trans	-65.8	-43	171.6	-67.2	-65.1	-70.7	0	0	110.8	G149 T150 T155 M156	G149-M152 WeakPolarHBondContact O-CB 3.17Å; G149-M152 PolarHBondContact O-N 3.05Å; T150-M152 VanDerWaalsContact C-N 3.31Å; M152-T155 PolarHBondContact O-N 2.9Å; M152-M156 VanDerWaalsContact O-CB 3.27Å; M152-M156 WeakPolarHBondContact O-CB 3.39Å; M152-M156 WeakPolarHBondContact O-CG 3.46Å; M152-M156 PolarHBondContact O-N 3.09Å
153	H	54.7	Low	53.5	Low	113 Å²	113	102 Å²	102	52%	0.523	55%	0.553	S	S	.	*	H	α-helix	trans	-63.2	-45.4	177.5	-169.1	-70.8	0	0	0	112.5	G149 T150 M156 Q157	G149-H153 WeakPolarHBondContact O-CB 3.5Å; G149-H153 PolarHBondContact O-N 3.4Å; T150-H153 PolarHBondContact O-N 2.9Å; H153-M156 PolarHBondContact O-N 2.8Å; H153-Q157 PolarHBondContact CE1-OE1 2.91Å; H153-Q157 PolarHBondContact ND1-OE1 3.17Å; H153-Q157 WeakPolarHBondContact O-CB 3.41Å; H153-Q157 WeakPolarHBondContact O-CG 3.42Å; H153-Q157 PolarHBondContact O-N 2.83Å
154	L	55.8	Low	51.3	Low	69 Å²	69	104.7 Å²	104.7	36%	0.361	58%	0.579	S	S	.	*	H	α-helix	trans	-63.6	-44.5	175.2	-89.1	154	0	0	0	111.9	T150 M156 Q157 Q158	T150-L154 HydrophobicContact CG2-CD1 4.41Å; T150-L154 PolarHBondContact O-N 2.98Å; L154-M156 VanDerWaalsContact C-N 3.35Å; L154-M156 PolarHBondContact O-N 3.11Å; L154-Q157 PolarHBondContact O-N 3.49Å; L154-Q158 WeakPolarHBondContact O-CB 3.11Å; L154-Q158 WeakPolarHBondContact O-CG 3.41Å; L154-Q158 PolarHBondContact O-N 3.22Å
155	T	55.7	Low	49.9	Very low	68 Å²	68	102.6 Å²	102.6	42%	0.417	58%	0.582	S	S	.	*	H	α-helix	trans	-62	-42.8	174.9	-54.4	0	0	0	0	111.2	N151 M152 Q158 L159	N151-T155 VanDerWaalsContact O-CB 3.29Å; N151-T155 WeakPolarHBondContact O-CB 3.43Å; N151-T155 PolarHBondContact O-N 2.91Å; N151-T155 PolarHBondContact O-OG1 3.25Å; M152-T155 PolarHBondContact O-N 2.9Å; T155-Q158 PolarHBondContact O-N 3.37Å; T155-L159 HydrophobicContact CG2-CD1 3.85Å; T155-L159 HydrophobicContact CG2-CG 4.32Å; T155-L159 WeakPolarHBondContact O-CB 3.4Å; T155-L159 VanDerWaalsContact O-CG 3.31Å; T155-L159 WeakPolarHBondContact O-CG 3.45Å; T155-L159 PolarHBondContact O-N 3.41Å
156	M	57.5	Low	49	Very low	95 Å²	95	101.1 Å²	101.1	47%	0.468	58%	0.578	S	S	.	*	H	α-helix	trans	-66.8	-36.7	177	-73.5	-67.3	-69.8	0	0	112.5	M152 H153 L154 Q158 F160	M152-M156 VanDerWaalsContact O-CB 3.27Å; M152-M156 WeakPolarHBondContact O-CB 3.39Å; M152-M156 WeakPolarHBondContact O-CG 3.46Å; M152-M156 PolarHBondContact O-N 3.09Å; H153-M156 PolarHBondContact O-N 2.8Å; L154-M156 VanDerWaalsContact C-N 3.35Å; L154-M156 PolarHBondContact O-N 3.11Å; M156-Q158 VanDerWaalsContact C-N 3.32Å; M156-F160 HydrophobicContact CE-CD2 3.63Å; M156-F160 HydrophobicContact CE-CE2 3.58Å; M156-F160 WeakPolarHBondContact O-CA 3.23Å; M156-F160 VanDerWaalsContact O-CB 3.32Å; M156-F160 WeakPolarHBondContact O-CB 3.48Å; M156-F160 WeakPolarHBondContact O-CD2 3.48Å; M156-F160 PolarHBondContact O-N 3.45Å; M156-F160 HydrophobicContact SD-CD2 4.01Å; M156-F160 HydrophobicContact SD-CE2 3.82Å
157	Q	60.8	Low	48.2	Very low	98 Å²	98	104.8 Å²	104.8	46%	0.458	61%	0.609	S	S	.	*	H	α-helix	trans	-71.6	-24.1	173.1	-75.9	-177.1	-58	0	0	113.4	H153 L154 F160 P161	H153-Q157 PolarHBondContact CE1-OE1 2.91Å; H153-Q157 PolarHBondContact ND1-OE1 3.17Å; H153-Q157 WeakPolarHBondContact O-CB 3.41Å; H153-Q157 WeakPolarHBondContact O-CG 3.42Å; H153-Q157 PolarHBondContact O-N 2.83Å; L154-Q157 PolarHBondContact O-N 3.49Å; Q157-F160 CarbonylContact O-C 3.55Å; Q157-P161 VanDerWaalsContact O-CA 3.3Å; Q157-P161 WeakPolarHBondContact O-CA 3.16Å
158	Q	61	Low	47.5	Very low	151 Å²	151	104.7 Å²	104.7	71%	0.706	61%	0.614	S	S	*	*	H	α-helix	trans	-83.1	-32.7	173.9	-73.1	177.2	-7.3	0	0	112.8	L154 T155 M156	L154-Q158 WeakPolarHBondContact O-CB 3.11Å; L154-Q158 WeakPolarHBondContact O-CG 3.41Å; L154-Q158 PolarHBondContact O-N 3.22Å; T155-Q158 PolarHBondContact O-N 3.37Å; M156-Q158 VanDerWaalsContact C-N 3.32Å
159	L	54.5	Low	47.1	Very low	119 Å²	119	106.8 Å²	106.8	62%	0.623	62%	0.617	S	S	*	*	H	α-helix	trans	-80	-32	173.3	-68.3	174	0	0	0	112.6	T155 P161	T155-L159 HydrophobicContact CG2-CD1 3.85Å; T155-L159 HydrophobicContact CG2-CG 4.32Å; T155-L159 WeakPolarHBondContact O-CB 3.4Å; T155-L159 VanDerWaalsContact O-CG 3.31Å; T155-L159 WeakPolarHBondContact O-CG 3.45Å; T155-L159 PolarHBondContact O-N 3.41Å; L159-P161 VanDerWaalsContact C-CD 3.47Å
160	F	55.5	Low	46.4	Very low	133 Å²	133	112.4 Å²	112.4	58%	0.583	63%	0.634	S	S	*	*	S	Bend	trans	-126.3	69.9	177.1	-54	-79.9	0	0	0	109.8	M156 Q157 T162	M156-F160 HydrophobicContact CE-CD2 3.63Å; M156-F160 HydrophobicContact CE-CE2 3.58Å; M156-F160 WeakPolarHBondContact O-CA 3.23Å; M156-F160 VanDerWaalsContact O-CB 3.32Å; M156-F160 WeakPolarHBondContact O-CB 3.48Å; M156-F160 WeakPolarHBondContact O-CD2 3.48Å; M156-F160 PolarHBondContact O-N 3.45Å; M156-F160 HydrophobicContact SD-CD2 4.01Å; M156-F160 HydrophobicContact SD-CE2 3.82Å; Q157-F160 CarbonylContact O-C 3.55Å; F160-T162 PolarHBondContact O-N 3.19Å
161	P	42.5	Very low	45.6	Very low	89 Å²	89	115.7 Å²	115.7	58%	0.578	66%	0.656	S	S	*	*			trans	-59.4	122.8	169	26.6	-33.5	0	0	0	108.1	Q157 L159 S163	Q157-P161 VanDerWaalsContact O-CA 3.3Å; Q157-P161 WeakPolarHBondContact O-CA 3.16Å; L159-P161 VanDerWaalsContact C-CD 3.47Å; P161-S163 VanDerWaalsContact C-N 3.34Å; P161-S163 PolarHBondContact O-N 3.35Å
162	T	44.2	Very low	44.8	Very low	132 Å²	132	116.3 Å²	116.3	81%	0.81	67%	0.672	S	S	*	*			trans	-72.4	85.4	-169.9	51.3	0	0	0	0	111.6	F160 S164	F160-T162 PolarHBondContact O-N 3.19Å; T162-S164 PolarHBondContact O-N 3.26Å
163	S	38.7	Very low	44.2	Very low	105 Å²	105	117.2 Å²	117.2	73%	0.734	69%	0.685	S	S	*	*			trans	-64.7	120.4	166.4	37.7	0	0	0	0	110.1	P161 I165	P161-S163 VanDerWaalsContact C-N 3.34Å; P161-S163 PolarHBondContact O-N 3.35Å; S163-I165 PolarHBondContact O-N 2.73Å
164	S	38.1	Very low	43.2	Very low	110 Å²	110	117.8 Å²	117.8	77%	0.769	70%	0.696	S	S	*	*			trans	-9.2	116.7	164	55.5	0	0	0	0	117.5	T162	T162-S164 PolarHBondContact O-N 3.26Å
165	I	37.3	Very low	42.3	Very low	159 Å²	159	122.8 Å²	122.8	82%	0.815	72%	0.723	S	S	*	*			trans	-152.5	124.2	148.9	-101.1	140.9	0	0	0	110.6	S163	S163-I165 PolarHBondContact O-N 2.73Å
166	V	33.3	Very low	41.1	Very low	128 Å²	128	124.4 Å²	124.4	78%	0.776	74%	0.743	S	S	*	*			trans	25	105.8	153.8	-168.5	0	0	0	0	118.4
167	S	33.2	Very low	40.1	Very low	133 Å²	133	125.9 Å²	125.9	93%	0.93	76%	0.763	S	S	*	*			trans	-87	116.6	149.7	-60.4	0	0	0	0	109.6
168	G	31	Very low	38.9	Very low	58 Å²	58	124.3 Å²	124.3	60%	0.598	77%	0.773	S	S	*	*			trans	-144.3	133.2	177.3	0	0	0	0	0	112
169	L	35.3	Very low	37.4	Very low	170 Å²	170	124.4 Å²	124.4	89%	0.89	78%	0.778	S	S	*	*			trans	58.9	90.9	166.8	-68.2	138.4	0	0	0	117.8
170	L	34.5	Very low	36.6	Very low	171 Å²	171	125.8 Å²	125.8	90%	0.895	79%	0.786	S	S	*	*				-132.8	145.6	121.8	-79.8	-176.6	0	0	0	109.3
171	P	36.4	Very low	35.5	Very low	122 Å²	122	125 Å²	125	79%	0.792	80%	0.804	S	S	*	*			trans	-84	163.3	-172.7	34.2	-36.1	0	0	0	113.5
172	A	30.9	Very low	35.1	Very low	93 Å²	93	126.7 Å²	126.7	77%	0.769	81%	0.809	S	S	*	*			trans	-79.6	152.5	-171.5	0	0	0	0	0	114.9
173	V	37.3	Very low	34.8	Very low	145 Å²	145	130.3 Å²	130.3	88%	0.879	81%	0.809	S	S	*	*			trans	-118.5	138	141.6	175.1	0	0	0	0	107.3
174	V	34.1	Very low	34.3	Very low	125 Å²	125	131.2 Å²	131.2	76%	0.758	82%	0.815	S	S	*	*			trans	-74.3	142.5	-172.2	-73.2	0	0	0	0	113.5
175	N	35.7	Very low	34.2	Very low	175 Å²	175	132.7 Å²	132.7	94%	0.936	82%	0.815	S	S	*	*			trans	-150.8	124.5	137.7	-107	-21.2	0	0	0	107.8
176	A	31.8	Very low	34.1	Very low	101 Å²	101	130.7 Å²	130.7	84%	0.835	82%	0.815	S	S	*	*			trans	-107.8	130	-173.9	0	0	0	0	0	111
177	S	35.2	Very low	34.6	Very low	127 Å²	127	126.4 Å²	126.4	89%	0.888	80%	0.796	S	S	*	*			trans	-167.6	138.5	158.5	-169	0	0	0	0	111.1
178	G	35.5	Very low	35.3	Very low	65 Å²	65	127.1 Å²	127.1	67%	0.67	79%	0.785	S	S	*	*			trans	79.8	84.6	148.5	0	0	0	0	0	117.8
179	D	31.1	Very low	36.3	Very low	153 Å²	153	132.2 Å²	132.2	82%	0.818	79%	0.793	S	S	*	*			trans	-13.3	125.1	145.8	-49.2	-49.4	0	0	0	116.7
180	N	37.2	Very low	37.3	Very low	147 Å²	147	125 Å²	125	79%	0.786	76%	0.757	S	S	*	*				178	95.9	121.5	-89.9	-47.2	0	0	0	110.2	D182	N180-D182 VanDerWaalsContact C-N 3.35Å; N180-D182 PolarHBondContact O-N 2.65Å
181	A	33.1	Very low	39.2	Very low	116 Å²	116	121.4 Å²	121.4	96%	0.959	74%	0.738	S	S	*	*			trans	-91	69.5	172	0	0	0	0	0	110
182	D	33.6	Very low	41.5	Very low	126 Å²	126	115.6 Å²	115.6	67%	0.674	70%	0.701	S	S	*	*			trans	-109.5	128.7	-170.8	-132.2	1.7	0	0	0	112.8	N180	N180-D182 VanDerWaalsContact C-N 3.35Å; N180-D182 PolarHBondContact O-N 2.65Å
183	Y	37	Very low	44.4	Very low	207 Å²	207	111.6 Å²	111.6	81%	0.812	67%	0.666	S	S	*	*			trans	20.2	115.5	173.5	-74.5	-90	0	0	0	121.2	D185	Y183-D185 PolarHBondContact O-N 3.26Å
184	S	28.9	Very low	47.1	Very low	124 Å²	124	104.7 Å²	104.7	87%	0.867	62%	0.624	S	S	*	*			trans	-66.3	87.7	157.4	57	0	0	0	0	112.2
185	D	36.1	Very low	50	Low	142 Å²	142	98.8 Å²	98.8	76%	0.759	59%	0.588	S	S	*	*			trans	-98	90.6	157.8	-176.7	18.5	0	0	0	109.7	Y183 G187	Y183-D185 PolarHBondContact O-N 3.26Å; D185-G187 PolarHBondContact O-N 3.49Å; D185-G187 PolarHBondContact OD1-N 3.26Å; D185-G187 VanDerWaalsContact OD1-N 3.17Å
186	S	35.2	Very low	52.9	Low	117 Å²	117	90.4 Å²	90.4	82%	0.818	54%	0.543	S	S	*	.			trans	-77.5	54.4	168.8	65.4	0	0	0	0	110.6	E188	S186-E188 PolarHBondContact O-N 3.06Å
187	G	42.5	Very low	56	Low	38 Å²	38	85.6 Å²	85.6	39%	0.392	50%	0.504	S	S	.	.			trans	-60.8	106.6	178.3	0	0	0	0	0	110.3	D185 Q189	D185-G187 PolarHBondContact O-N 3.49Å; D185-G187 PolarHBondContact OD1-N 3.26Å; D185-G187 VanDerWaalsContact OD1-N 3.17Å; G187-Q189 WeakPolarHBondContact O-CB 3.39Å; G187-Q189 PolarHBondContact O-N 2.64Å
188	E	48.1	Very low	58.9	Low	148 Å²	148	80.1 Å²	80.1	69%	0.692	47%	0.465	S	S	*	.			trans	-45.8	94.5	-172.4	-171.3	178.2	-130.6	0	0	112.4	N63 P64 S186	N63-E188 PolarHBondContact ND2-OE2 2.98Å; P64-E188 WeakPolarHBondContact CG-O 3.3Å; S186-E188 PolarHBondContact O-N 3.06Å
189	Q	53.2	Low	61.8	Low	165 Å²	165	77 Å²	77	77%	0.771	43%	0.433	S	S	*	.			trans	-96.2	132.8	-166.6	-151.4	160.8	118.6	0	0	111.2	G187 D191	G187-Q189 WeakPolarHBondContact O-CB 3.39Å; G187-Q189 PolarHBondContact O-N 2.64Å; Q189-D191 PolarHBondContact O-N 3.37Å; Q189-D191 VanDerWaalsContact O-N 3.08Å
190	C	56.5	Low	64.9	Low	19 Å²	19	72.8 Å²	72.8	13%	0.128	41%	0.408	C	S	.	.			trans	-83.6	90.8	-170.4	-63	0	0	0	0	113	P64 G192 F212 G248	P64-C190 WeakPolarHBondContact CB-SG 3.29Å; P64-C190 WeakPolarHBondContact CG-SG 3.3Å; C190-G192 VanDerWaalsContact C-N 3.27Å; C190-G192 PolarHBondContact O-N 3.01Å; C190-F212 WeakPolarHBondContact SG-CZ 3.35Å; C190-G248 PolarHBondContact O-N 3.28Å; C190-G248 VanDerWaalsContact O-N 3.13Å
191	D	73.2	Confident	67.7	Low	94 Å²	94	66.3 Å²	66.3	50%	0.503	37%	0.374	S	S	.	.			trans	-79.2	-2	173.7	-80.8	-26.5	0	0	0	114.5	Q189 K247	Q189-D191 PolarHBondContact O-N 3.37Å; Q189-D191 VanDerWaalsContact O-N 3.08Å; D191-K247 WeakPolarHBondContact O-CD 3.46Å; D191-K247 VanDerWaalsContact O-CG 3.31Å; D191-K247 WeakPolarHBondContact O-CG 3.43Å; D191-K247 PolarHBondContact O-NZ 2.66Å
192	G	85.3	Confident	70.4	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	36%	0.357	C	S	.	.	S	Bend	trans	-107.3	163.4	170.9	0	0	0	0	0	113.4	C190 D213 I214	C190-G192 VanDerWaalsContact C-N 3.27Å; C190-G192 PolarHBondContact O-N 3.01Å; G192-D213 WeakPolarHBondContact CA-OD1 3.4Å; G192-D213 PolarHBondContact N-OD1 3.11Å; G192-D213 VanDerWaalsContact N-OD1 3.11Å; G192-I214 CarbonylContact C-O 3.57Å; G192-I214 VanDerWaalsContact CA-O 3.25Å; G192-I214 WeakPolarHBondContact CA-O 3.25Å
193	Y	91.9	Very high	73	Confident	10 Å²	10	62 Å²	62	4%	0.039	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	164.1	170.1	-59.4	-94.8	0	0	0	110.7	W143 D213 I214 F245 K247 D356 L357	W143-Y193 AromaticContact CH2-CD2 3.99Å; W143-Y193 HydrophobicContact CH2-CD2 3.99Å; W143-Y193 AromaticContact CH2-CE2 3.76Å; W143-Y193 HydrophobicContact CH2-CE2 3.76Å; W143-Y193 AromaticContact CZ3-CE2 3.91Å; W143-Y193 HydrophobicContact CZ3-CE2 3.91Å; Y193-D213 PolarHBondContact O-N 3.48Å; Y193-D213 VanDerWaalsContact O-N 3.11Å; Y193-I214 PolarHBondContact N-O 3.07Å; Y193-I214 WeakPolarHBondContact O-CB 3.28Å; Y193-I214 PolarHBondContact O-N 1.81Å; Y193-F245 WeakPolarHBondContact CA-O 3.3Å; Y193-K247 HydrophobicContact CD1-CB 4.16Å; Y193-K247 HydrophobicContact CD2-CB 4.13Å; Y193-K247 HydrophobicContact CE1-CB 3.85Å; Y193-K247 HydrophobicContact CE2-CB 3.82Å; Y193-K247 HydrophobicContact CE2-CD 4.48Å; Y193-K247 HydrophobicContact CG-CB 4.27Å; Y193-D356 WeakPolarHBondContact CE1-OD1 3.28Å; Y193-D356 PolarHBondContact OH-OD1 3.01Å; Y193-D356 VanDerWaalsContact OH-OD1 3.07Å; Y193-D356 PolarHBondContact OH-OD2 3.31Å; Y193-L357 HydrophobicContact CD1-CB 3.89Å; Y193-L357 HydrophobicContact CD1-CG 3.84Å; Y193-L357 HydrophobicContact CD2-CD1 4.07Å; Y193-L357 HydrophobicContact CD2-CG 4.21Å; Y193-L357 HydrophobicContact CE1-CB 4.08Å; Y193-L357 HydrophobicContact CE1-CG 4.39Å; Y193-L357 HydrophobicContact CE2-CD1 4.48Å; Y193-L357 HydrophobicContact CG-CB 4.31Å; Y193-L357 HydrophobicContact CG-CD1 4.11Å; Y193-L357 HydrophobicContact CG-CG 3.74Å
194	S	93.8	Very high	75.6	Confident	0 Å²	0	55 Å²	55	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	142	166	-57.1	0	0	0	0	110.4	L68 I211 F212 A244 F245	L68-S194 WeakPolarHBondContact CD1-OG 3.35Å; S194-I211 CarbonylContact C-O 3.55Å; S194-I211 VanDerWaalsContact CA-O 3.22Å; S194-I211 WeakPolarHBondContact CA-O 3.46Å; S194-I211 WeakPolarHBondContact CB-O 3.36Å; S194-F212 VanDerWaalsContact OG-CD2 3.25Å; S194-F212 WeakPolarHBondContact OG-CD2 3.22Å; S194-A244 CarbonylContact O-C 3.57Å; S194-A244 VanDerWaalsContact O-CA 3.26Å; S194-A244 WeakPolarHBondContact O-CA 3.29Å; S194-F245 PolarHBondContact N-O 2.97Å; S194-F245 PolarHBondContact O-N 3.39Å
195	L	94.9	Very high	78.7	Confident	0 Å²	0	50 Å²	50	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	144.5	-172	179.9	150	0	0	0	112.3	I139 I211 I214 I221 F223 I242 Y243 A244 I294 L357	I139-L195 HydrophobicContact CD1-CD2 3.93Å; L195-I211 PolarHBondContact N-O 2.9Å; L195-I211 PolarHBondContact O-N 3.27Å; L195-I214 HydrophobicContact CB-CD1 3.71Å; L195-I221 HydrophobicContact CB-CD1 4.35Å; L195-I221 HydrophobicContact CD1-CD1 3.73Å; L195-I221 HydrophobicContact CD2-CD1 4.09Å; L195-I221 HydrophobicContact CD2-CG2 4.3Å; L195-I221 HydrophobicContact CG-CD1 4.29Å; L195-F223 HydrophobicContact CD2-CE2 4.31Å; L195-F223 HydrophobicContact CD2-CZ 3.93Å; L195-I242 HydrophobicContact CD1-CG2 3.48Å; L195-I242 VanDerWaalsContact CD1-CG2 3.48Å; L195-I242 HydrophobicContact CD2-CG2 4.21Å; L195-I242 HydrophobicContact CG-CG2 3.92Å; L195-Y243 VanDerWaalsContact CA-O 3.31Å; L195-Y243 WeakPolarHBondContact CA-O 3.48Å; L195-A244 HydrophobicContact CD1-CB 4.39Å; L195-I294 HydrophobicContact CD1-CD1 4.14Å; L195-L357 HydrophobicContact CB-CD2 4.46Å; L195-L357 HydrophobicContact CD1-CD2 3.42Å; L195-L357 VanDerWaalsContact CD1-CD2 3.42Å
196	F	96.4	Very high	81.4	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	169.5	164.4	72.5	-81.8	0	0	0	109.9	K72 L75 V76 T198 T208 L210 Y243 F291	K72-F196 HydrophobicContact CB-CD1 4.2Å; K72-F196 HydrophobicContact CB-CE1 3.92Å; K72-F196 HydrophobicContact CB-CZ 4.23Å; K72-F196 HydrophobicContact CD-CB 3.91Å; K72-F196 HydrophobicContact CD-CD1 3.73Å; K72-F196 HydrophobicContact CD-CD2 3.96Å; K72-F196 HydrophobicContact CD-CE1 4.2Å; K72-F196 HydrophobicContact CD-CE2 4.42Å; K72-F196 HydrophobicContact CD-CG 3.59Å; K72-F196 VanDerWaalsContact CE-CB 3.48Å; K72-F196 VanDerWaalsContact CE-CG 3.47Å; K72-F196 HydrophobicContact CG-CD1 3.86Å; K72-F196 HydrophobicContact CG-CD2 3.96Å; K72-F196 HydrophobicContact CG-CE1 3.8Å; K72-F196 HydrophobicContact CG-CE2 3.91Å; K72-F196 HydrophobicContact CG-CG 3.94Å; K72-F196 HydrophobicContact CG-CZ 3.83Å; L75-F196 HydrophobicContact CD1-CZ 4.31Å; L75-F196 HydrophobicContact CD2-CZ 4.24Å; V76-F196 HydrophobicContact CG2-CE2 3.69Å; V76-F196 HydrophobicContact CG2-CZ 4.29Å; F196-T198 HydrophobicContact CD2-CG2 4.43Å; F196-T198 HydrophobicContact CE2-CG2 3.78Å; F196-T208 WeakPolarHBondContact CA-OG1 3.47Å; F196-T208 WeakPolarHBondContact CB-OG1 3.29Å; F196-L210 HydrophobicContact CB-CD1 4.32Å; F196-L210 HydrophobicContact CD1-CD1 4.12Å; F196-Y243 HydrophobicContact CE1-CG 4.39Å; F196-Y243 HydrophobicContact CE2-CD2 4.27Å; F196-Y243 HydrophobicContact CE2-CG 4.39Å; F196-Y243 HydrophobicContact CZ-CD2 4.3Å; F196-Y243 AromaticContact CZ-CG 3.99Å; F196-Y243 HydrophobicContact CZ-CG 3.99Å; F196-Y243 PolarHBondContact N-O 3.04Å; F196-Y243 PolarHBondContact O-N 2.91Å; F196-Y243 VanDerWaalsContact O-O 3.13Å; F196-F291 HydrophobicContact CD1-CD1 4.01Å; F196-F291 AromaticContact CD1-CE1 3.82Å; F196-F291 HydrophobicContact CD1-CE1 3.82Å; F196-F291 HydrophobicContact CD1-CG 4.49Å; F196-F291 HydrophobicContact CD1-CZ 4.12Å; F196-F291 HydrophobicContact CE1-CB 4.32Å; F196-F291 AromaticContact CE1-CD1 3.66Å; F196-F291 HydrophobicContact CE1-CD1 3.66Å; F196-F291 AromaticContact CE1-CD2 3.87Å; F196-F291 HydrophobicContact CE1-CD2 3.87Å; F196-F291 AromaticContact CE1-CE1 3.81Å; F196-F291 HydrophobicContact CE1-CE1 3.81Å; F196-F291 AromaticContact CE1-CE2 4Å; F196-F291 HydrophobicContact CE1-CE2 4Å; F196-F291 AromaticContact CE1-CG 3.7Å; F196-F291 HydrophobicContact CE1-CG 3.7Å; F196-F291 AromaticContact CE1-CZ 3.97Å; F196-F291 HydrophobicContact CE1-CZ 3.97Å
197	C	96.8	Very high	84.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	149.2	170.9	-47.7	0	0	0	0	111.1	D207 T208 I240 E241	C197-D207 CarbonylContact O-C 3.5Å; C197-D207 VanDerWaalsContact O-CA 3.3Å; C197-D207 WeakPolarHBondContact O-CA 3.48Å; C197-T208 HydrophobicContact CB-CG2 3.76Å; C197-T208 PolarHBondContact N-OG1 3.42Å; C197-T208 PolarHBondContact O-N 2.89Å; C197-I240 HydrophobicContact CB-CG2 4.17Å; C197-E241 CarbonylContact C-O 3.6Å; C197-E241 WeakPolarHBondContact CA-O 3.47Å; C197-E241 WeakPolarHBondContact CB-O 3.27Å
198	T	96.2	Very high	86.8	Confident	11 Å²	11	43.9 Å²	43.9	7%	0.067	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	148.7	159.5	64.5	0	0	0	0	109.7	V76 F196 R206 I240 E241 Y243	V76-T198 HydrophobicContact CG2-CG2 3.99Å; F196-T198 HydrophobicContact CD2-CG2 4.43Å; F196-T198 HydrophobicContact CE2-CG2 3.78Å; T198-R206 CarbonylContact C-O 3.59Å; T198-R206 VanDerWaalsContact CA-O 3.32Å; T198-R206 WeakPolarHBondContact CA-O 3.24Å; T198-I240 WeakPolarHBondContact O-CA 3.44Å; T198-E241 PolarHBondContact N-O 3.18Å; T198-E241 PolarHBondContact O-N 2.74Å; T198-Y243 HydrophobicContact CG2-CD2 4.13Å; T198-Y243 HydrophobicContact CG2-CE2 4.07Å
199	I	97.5	Very high	89.1	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	111	-178.6	-56.9	153.7	0	0	0	106.8	L134 I137 R206 T208 W227 F229 I239	L134-I199 HydrophobicContact CD2-CD1 3.95Å; L134-I199 HydrophobicContact CD2-CG1 4.03Å; L134-I199 HydrophobicContact CD2-CG2 3.68Å; I137-I199 HydrophobicContact CD1-CD1 3.97Å; I199-R206 HydrophobicContact CB-CB 4.47Å; I199-R206 PolarHBondContact N-O 2.76Å; I199-R206 PolarHBondContact O-N 3.32Å; I199-T208 HydrophobicContact CD1-CG2 4.45Å; I199-W227 HydrophobicContact CD1-CB 4.48Å; I199-W227 HydrophobicContact CD1-CD2 3.36Å; I199-W227 HydrophobicContact CD1-CE3 3.69Å; I199-W227 HydrophobicContact CD1-CG 3.72Å; I199-W227 HydrophobicContact CD1-CH2 4.31Å; I199-W227 HydrophobicContact CD1-CZ2 4.04Å; I199-W227 HydrophobicContact CD1-CZ3 4.16Å; I199-F229 HydrophobicContact CG2-CE2 4.11Å; I199-F229 HydrophobicContact CG2-CZ 3.72Å; I199-I239 CarbonylContact C-O 3.54Å; I199-I239 WeakPolarHBondContact CA-O 3.35Å
200	Q	95.6	Very high	91	Very high	64 Å²	64	35.1 Å²	35.1	30%	0.299	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.1	179.6	178.7	176.4	-10.8	0	0	111.1	G202 L204 I205 C238 I239	Q200-G202 PolarHBondContact NE2-O 2.88Å; Q200-L204 WeakPolarHBondContact CA-O 3.46Å; Q200-I205 HydrophobicContact CB-CG1 4.13Å; Q200-I205 HydrophobicContact CG-CG1 3.92Å; Q200-C238 CarbonylContact O-C 3.54Å; Q200-C238 WeakPolarHBondContact O-CA 3.48Å; Q200-I239 HydrophobicContact CB-CB 4.42Å; Q200-I239 PolarHBondContact N-O 3.16Å; Q200-I239 PolarHBondContact O-N 2.74Å
201	V	95.4	Very high	92.9	Very high	12 Å²	12	36.1 Å²	36.1	7%	0.073	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	112.5	167.6	-177.3	0	0	0	0	108.2	L132 H203 L204 F229 V232 C238	L132-V201 HydrophobicContact CD2-CG1 4.38Å; L132-V201 HydrophobicContact CD2-CG2 4.19Å; V201-H203 PolarHBondContact O-N 3.37Å; V201-L204 PolarHBondContact N-O 2.82Å; V201-L204 PolarHBondContact O-N 2.94Å; V201-F229 HydrophobicContact CB-CB 4.45Å; V201-F229 HydrophobicContact CB-CD1 3.63Å; V201-F229 HydrophobicContact CB-CD2 4.43Å; V201-F229 HydrophobicContact CB-CE1 3.89Å; V201-F229 HydrophobicContact CB-CG 3.93Å; V201-F229 HydrophobicContact CB-CZ 4.41Å; V201-F229 HydrophobicContact CG1-CB 4.42Å; V201-F229 HydrophobicContact CG1-CD1 4.46Å; V201-F229 HydrophobicContact CG1-CG 4.4Å; V201-F229 HydrophobicContact CG2-CD1 3.74Å; V201-F229 HydrophobicContact CG2-CD2 3.74Å; V201-F229 HydrophobicContact CG2-CE1 3.71Å; V201-F229 HydrophobicContact CG2-CE2 3.73Å; V201-F229 HydrophobicContact CG2-CG 3.75Å; V201-F229 HydrophobicContact CG2-CZ 3.72Å; V201-V232 HydrophobicContact CG1-CG1 4.3Å; V201-V232 HydrophobicContact CG1-CG2 4.12Å; V201-C238 HydrophobicContact CG2-CB 3.88Å
202	G	90.1	Very high	93.8	Very high	59 Å²	59	34.4 Å²	34.4	61%	0.608	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	-107.1	-174.5	0	0	0	0	0	112.3	Q200	Q200-G202 PolarHBondContact NE2-O 2.88Å
203	H	87.7	Confident	94	Very high	93 Å²	93	36.8 Å²	36.8	43%	0.431	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-14.2	177.4	69.1	-93.2	0	0	0	114	S83 L87 V201	S83-H203 PolarHBondContact OG-O 2.95Å; L87-H203 HydrophobicContact CD1-CB 3.91Å; L87-H203 HydrophobicContact CD2-CB 4.01Å; L87-H203 HydrophobicContact CG-CB 4.27Å; V201-H203 PolarHBondContact O-N 3.37Å
204	L	91.9	Very high	94	Very high	60 Å²	60	36.6 Å²	36.6	31%	0.314	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	120.1	-177.8	-65.4	174.4	0	0	0	109.5	Q200 V201 F229	Q200-L204 WeakPolarHBondContact CA-O 3.46Å; V201-L204 PolarHBondContact N-O 2.82Å; V201-L204 PolarHBondContact O-N 2.94Å; L204-F229 HydrophobicContact CB-CD1 4.08Å; L204-F229 HydrophobicContact CB-CE1 4.22Å; L204-F229 HydrophobicContact CD1-CD1 4.1Å
205	I	93.8	Very high	93.7	Very high	18 Å²	18	41.7 Å²	41.7	9%	0.092	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.5	175.3	-57.1	174.5	0	0	0	108.4	A79 Q80 Q200	A79-I205 HydrophobicContact CB-CD1 4.04Å; Q80-I205 HydrophobicContact CG-CB 3.92Å; Q80-I205 HydrophobicContact CG-CG2 4.3Å; Q80-I205 PolarHBondContact NE2-O 3.4Å; Q200-I205 HydrophobicContact CB-CG1 4.13Å; Q200-I205 HydrophobicContact CG-CG1 3.92Å
206	R	94.5	Very high	93.2	Very high	117 Å²	117	43.7 Å²	43.7	44%	0.442	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	168	172.6	-59.5	-61.4	-170.8	174.3	0.5	109.9	T198 I199 F229	T198-R206 CarbonylContact C-O 3.59Å; T198-R206 VanDerWaalsContact CA-O 3.32Å; T198-R206 WeakPolarHBondContact CA-O 3.24Å; I199-R206 HydrophobicContact CB-CB 4.47Å; I199-R206 PolarHBondContact N-O 2.76Å; I199-R206 PolarHBondContact O-N 3.32Å; R206-F229 HydrophobicContact CB-CZ 4.5Å; R206-F229 HydrophobicContact CG-CE1 3.83Å; R206-F229 HydrophobicContact CG-CZ 3.93Å
207	D	94.7	Very high	92.6	Very high	48 Å²	48	45.9 Å²	45.9	26%	0.257	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	160.1	176.6	59.7	-46.1	0	0	0	111.7	K72 V76 C197 W227	K72-D207 IonicContact NZ-OD2 2.72Å; K72-D207 PolarHBondContact NZ-OD2 2.88Å; V76-D207 HydrophobicContact CG1-CB 4.02Å; V76-D207 HydrophobicContact CG2-CB 3.87Å; C197-D207 CarbonylContact O-C 3.5Å; C197-D207 VanDerWaalsContact O-CA 3.3Å; C197-D207 WeakPolarHBondContact O-CA 3.48Å; D207-W227 PolarHBondContact O-NE1 3.19Å; D207-W227 VanDerWaalsContact O-NE1 3.07Å
208	T	96.2	Very high	92.3	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.025	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-84.8	170.5	170.5	68.4	0	0	0	0	111.1	K72 F196 C197 I199 F223 W227	K72-T208 WeakPolarHBondContact CE-O 3.36Å; K72-T208 PolarHBondContact NZ-O 3.01Å; F196-T208 WeakPolarHBondContact CA-OG1 3.47Å; F196-T208 WeakPolarHBondContact CB-OG1 3.29Å; C197-T208 HydrophobicContact CB-CG2 3.76Å; C197-T208 PolarHBondContact N-OG1 3.42Å; C197-T208 PolarHBondContact O-N 2.89Å; I199-T208 HydrophobicContact CD1-CG2 4.45Å; T208-F223 HydrophobicContact CG2-CD1 3.98Å; T208-F223 HydrophobicContact CG2-CD2 4.28Å; T208-F223 HydrophobicContact CG2-CE1 4.06Å; T208-F223 HydrophobicContact CG2-CE2 4.34Å; T208-F223 HydrophobicContact CG2-CG 4.09Å; T208-F223 HydrophobicContact CG2-CZ 4.23Å; T208-F223 WeakPolarHBondContact OG1-CE1 3.45Å; T208-W227 HydrophobicContact CG2-CH2 3.95Å; T208-W227 HydrophobicContact CG2-CZ2 3.71Å
209	R	94.7	Very high	92	Very high	107 Å²	107	50.6 Å²	50.6	40%	0.404	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-55.8	152	157.7	61.1	-176.1	-177.5	177.8	1.7	110.8	I211 E222 F223	R209-I211 HydrophobicContact CG-CD1 3.94Å; R209-E222 PolarHBondContact NH2-O 3Å; R209-F223 HydrophobicContact CG-CD1 3.84Å; R209-F223 HydrophobicContact CG-CE1 4.01Å; R209-F223 WeakPolarHBondContact O-CE1 3.26Å
210	L	95	Very high	91.8	Very high	22 Å²	22	52.5 Å²	52.5	12%	0.115	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-74.1	127.9	165.8	-176.5	65.5	0	0	0	108.7	L65 L68 D69 K72 F196 F291	L65-L210 HydrophobicContact CD1-CD2 4.13Å; L68-L210 HydrophobicContact CB-CD2 3.76Å; D69-L210 HydrophobicContact CB-CD2 4.37Å; K72-L210 HydrophobicContact CD-CB 3.85Å; K72-L210 HydrophobicContact CD-CD1 4.23Å; F196-L210 HydrophobicContact CB-CD1 4.32Å; F196-L210 HydrophobicContact CD1-CD1 4.12Å; L210-F291 HydrophobicContact CD1-CE1 3.96Å; L210-F291 HydrophobicContact CD1-CZ 3.86Å
211	I	94.9	Very high	91.8	Very high	39 Å²	39	49.7 Å²	49.7	20%	0.2	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	136.1	162.6	-49.5	-59.4	0	0	0	106.8	S194 L195 R209 I214 I221 F223	S194-I211 CarbonylContact C-O 3.55Å; S194-I211 VanDerWaalsContact CA-O 3.22Å; S194-I211 WeakPolarHBondContact CA-O 3.46Å; S194-I211 WeakPolarHBondContact CB-O 3.36Å; L195-I211 PolarHBondContact N-O 2.9Å; L195-I211 PolarHBondContact O-N 3.27Å; R209-I211 HydrophobicContact CG-CD1 3.94Å; I211-I214 HydrophobicContact CB-CD1 4.21Å; I211-I214 HydrophobicContact CB-CG1 4.44Å; I211-I214 HydrophobicContact CG2-CD1 3.94Å; I211-I214 HydrophobicContact CG2-CG1 3.67Å; I211-I221 HydrophobicContact CB-CG2 4.25Å; I211-I221 HydrophobicContact CG1-CG2 3.72Å; I211-I221 HydrophobicContact CG2-CG2 4.28Å; I211-F223 HydrophobicContact CD1-CD1 4.35Å; I211-F223 HydrophobicContact CD1-CE1 3.85Å; I211-F223 HydrophobicContact CG1-CD1 4.47Å; I211-F223 HydrophobicContact CG1-CE1 3.55Å; I211-F223 HydrophobicContact CG1-CZ 3.83Å
212	F	92.1	Very high	91.8	Very high	58 Å²	58	53.1 Å²	53.1	25%	0.254	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	148.4	-166.2	175.9	-94.5	0	0	0	109.7	P64 L65 L68 C190 S194 I214	P64-F212 HydrophobicContact CB-CZ 4.44Å; P64-F212 HydrophobicContact CG-CZ 4.22Å; L65-F212 VanDerWaalsContact CA-CE2 3.44Å; L65-F212 HydrophobicContact CB-CD1 4.35Å; L65-F212 HydrophobicContact CB-CD2 4.13Å; L65-F212 HydrophobicContact CB-CE1 3.97Å; L65-F212 HydrophobicContact CB-CE2 3.74Å; L65-F212 HydrophobicContact CB-CG 4.42Å; L65-F212 HydrophobicContact CB-CZ 3.63Å; L65-F212 HydrophobicContact CD1-CB 3.89Å; L65-F212 HydrophobicContact CD1-CD1 4.17Å; L65-F212 HydrophobicContact CD1-CD2 3.72Å; L65-F212 HydrophobicContact CD1-CE2 4.23Å; L65-F212 HydrophobicContact CD1-CG 3.68Å; L68-F212 HydrophobicContact CD1-CD2 4.11Å; L68-F212 HydrophobicContact CD1-CE2 4.04Å; C190-F212 WeakPolarHBondContact SG-CZ 3.35Å; S194-F212 VanDerWaalsContact OG-CD2 3.25Å; S194-F212 WeakPolarHBondContact OG-CD2 3.22Å; F212-I214 VanDerWaalsContact C-N 3.33Å; F212-I214 PolarHBondContact O-N 3.42Å
213	D	90.1	Very high	92	Very high	50 Å²	50	50.3 Å²	50.3	27%	0.267	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55.2	43.8	-178.5	-168	34.7	0	0	0	113.7	G192 Y193 K215	G192-D213 WeakPolarHBondContact CA-OD1 3.4Å; G192-D213 PolarHBondContact N-OD1 3.11Å; G192-D213 VanDerWaalsContact N-OD1 3.11Å; Y193-D213 PolarHBondContact O-N 3.48Å; Y193-D213 VanDerWaalsContact O-N 3.11Å; D213-K215 PolarHBondContact O-N 3.11Å; D213-K215 VanDerWaalsContact O-N 3.13Å; D213-K215 VanDerWaalsContact OD1-CE 3.24Å; D213-K215 WeakPolarHBondContact OD1-CE 3.16Å; D213-K215 IonicContact OD1-NZ 3.03Å; D213-K215 WeakPolarHBondContact OD2-CE 3.28Å; D213-K215 IonicContact OD2-NZ 3.81Å; D213-K215 PolarHBondContact OD2-NZ 3.14Å
214	I	91.8	Very high	91.9	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.036	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	108.5	175.5	-58.2	161.1	0	0	0	108.3	L141 G192 Y193 L195 I211 F212 T218 I221	L141-I214 HydrophobicContact CD1-CG2 4.19Å; G192-I214 CarbonylContact C-O 3.57Å; G192-I214 VanDerWaalsContact CA-O 3.25Å; G192-I214 WeakPolarHBondContact CA-O 3.25Å; Y193-I214 PolarHBondContact N-O 3.07Å; Y193-I214 WeakPolarHBondContact O-CB 3.28Å; Y193-I214 PolarHBondContact O-N 1.81Å; L195-I214 HydrophobicContact CB-CD1 3.71Å; I211-I214 HydrophobicContact CB-CD1 4.21Å; I211-I214 HydrophobicContact CB-CG1 4.44Å; I211-I214 HydrophobicContact CG2-CD1 3.94Å; I211-I214 HydrophobicContact CG2-CG1 3.67Å; F212-I214 VanDerWaalsContact C-N 3.33Å; F212-I214 PolarHBondContact O-N 3.42Å; I214-T218 HydrophobicContact CG2-CG2 4.28Å; I214-I221 HydrophobicContact CD1-CD1 3.85Å
215	K	87.3	Confident	91.8	Very high	107 Å²	107	49.9 Å²	49.9	47%	0.465	26%	0.262	S	S	.	.			trans	-92.9	151.2	-175.3	-80.9	159.2	172.6	155.4	0	112.7	D213 G217 T218	D213-K215 PolarHBondContact O-N 3.11Å; D213-K215 VanDerWaalsContact O-N 3.13Å; D213-K215 VanDerWaalsContact OD1-CE 3.24Å; D213-K215 WeakPolarHBondContact OD1-CE 3.16Å; D213-K215 IonicContact OD1-NZ 3.03Å; D213-K215 WeakPolarHBondContact OD2-CE 3.28Å; D213-K215 IonicContact OD2-NZ 3.81Å; D213-K215 PolarHBondContact OD2-NZ 3.14Å; K215-G217 PolarHBondContact O-N 3.17Å; K215-T218 WeakPolarHBondContact O-CB 3.45Å; K215-T218 PolarHBondContact O-N 2.96Å; K215-T218 VanDerWaalsContact O-N 3.11Å; K215-T218 PolarHBondContact O-OG1 2.95Å
216	P	85.2	Confident	91.7	Very high	42 Å²	42	53.4 Å²	53.4	27%	0.273	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	137.3	171.4	-25	34.5	0	0	0	111.7	W143 I146	W143-P216 HydrophobicContact CD2-CB 4.19Å; W143-P216 HydrophobicContact CE3-CB 3.81Å; W143-P216 HydrophobicContact CE3-CG 4.33Å; W143-P216 HydrophobicContact CH2-CB 4.45Å; W143-P216 HydrophobicContact CH2-CG 4.44Å; W143-P216 HydrophobicContact CZ3-CB 3.96Å; W143-P216 HydrophobicContact CZ3-CG 4.01Å; I146-P216 HydrophobicContact CD1-CB 3.53Å
217	G	84.3	Confident	91.6	Very high	46 Å²	46	48.7 Å²	48.7	47%	0.474	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.2	-13.1	-171.3	0	0	0	0	0	114.6	W143 K215 A219	W143-G217 VanDerWaalsContact CD1-N 3.34Å; K215-G217 PolarHBondContact O-N 3.17Å; G217-A219 PolarHBondContact O-N 3.27Å; G217-A219 VanDerWaalsContact O-N 3.1Å
218	T	90.1	Very high	91.6	Very high	49 Å²	49	47.7 Å²	47.7	30%	0.301	26%	0.255	S	S	.	.			trans	-63.1	110.5	171	-56	0	0	0	0	109.9	W143 I214 K215 D220	W143-T218 PolarHBondContact NE1-O 3.25Å; I214-T218 HydrophobicContact CG2-CG2 4.28Å; K215-T218 WeakPolarHBondContact O-CB 3.45Å; K215-T218 PolarHBondContact O-N 2.96Å; K215-T218 VanDerWaalsContact O-N 3.11Å; K215-T218 PolarHBondContact O-OG1 2.95Å; T218-D220 WeakPolarHBondContact CG2-O 3.46Å
219	A	90.2	Very high	91.4	Very high	60 Å²	60	47.5 Å²	47.5	50%	0.496	25%	0.254	S	S	.	.			trans	-69.6	-38.4	-175.2	0	0	0	0	0	113.3	L141 G217	L141-A219 PolarHBondContact N-O 3.35Å; G217-A219 PolarHBondContact O-N 3.27Å; G217-A219 VanDerWaalsContact O-N 3.1Å
220	D	92.4	Very high	91.3	Very high	41 Å²	41	45.6 Å²	45.6	22%	0.219	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	150.2	-172.5	-63	-96.1	0	0	0	111.4	R138 I139 P140 T218 E222	R138-D220 HydrophobicContact CG-CB 4.12Å; R138-D220 IonicContact CZ-OD1 2.58Å; R138-D220 IonicContact CZ-OD2 3.02Å; R138-D220 IonicContact NE-OD1 2.61Å; R138-D220 PolarHBondContact NE-OD1 2.9Å; R138-D220 IonicContact NE-OD2 3.71Å; R138-D220 IonicContact NH2-OD1 2.76Å; R138-D220 PolarHBondContact NH2-OD1 3.3Å; R138-D220 IonicContact NH2-OD2 2.71Å; R138-D220 PolarHBondContact NH2-OD2 3.39Å; I139-D220 WeakPolarHBondContact O-CA 3.42Å; P140-D220 WeakPolarHBondContact CA-OD1 3.45Å; P140-D220 WeakPolarHBondContact CB-OD1 3Å; P140-D220 WeakPolarHBondContact CG-OD1 3.41Å; T218-D220 WeakPolarHBondContact CG2-O 3.46Å; D220-E222 HydrophobicContact CB-CG 4.45Å
221	I	95.5	Very high	91.1	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.026	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	121.2	170.8	-51.7	171.3	0	0	0	108.4	R138 I139 L141 L195 I211 I214 F223 L357	R138-I221 CarbonylContact C-O 3.59Å; R138-I221 VanDerWaalsContact CA-O 3.28Å; R138-I221 WeakPolarHBondContact CA-O 3.15Å; I139-I221 HydrophobicContact CB-CB 4.34Å; I139-I221 PolarHBondContact N-O 2.73Å; I139-I221 PolarHBondContact O-N 3.46Å; L141-I221 HydrophobicContact CD1-CD1 4.1Å; L141-I221 HydrophobicContact CD1-CG1 4.03Å; L141-I221 HydrophobicContact CD2-CD1 4.22Å; L141-I221 HydrophobicContact CG-CD1 4.48Å; L141-I221 HydrophobicContact CG-CG1 4.39Å; L195-I221 HydrophobicContact CB-CD1 4.35Å; L195-I221 HydrophobicContact CD1-CD1 3.73Å; L195-I221 HydrophobicContact CD2-CD1 4.09Å; L195-I221 HydrophobicContact CD2-CG2 4.3Å; L195-I221 HydrophobicContact CG-CD1 4.29Å; I211-I221 HydrophobicContact CB-CG2 4.25Å; I211-I221 HydrophobicContact CG1-CG2 3.72Å; I211-I221 HydrophobicContact CG2-CG2 4.28Å; I214-I221 HydrophobicContact CD1-CD1 3.85Å; I221-F223 HydrophobicContact CG2-CE2 4.08Å; I221-F223 HydrophobicContact CG2-CZ 4.03Å; I221-L357 HydrophobicContact CD1-CD2 4.45Å
222	E	95.3	Very high	91	Very high	84 Å²	84	46.8 Å²	46.8	39%	0.393	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.8	-172.9	-62.6	-171.2	154.8	0	0	113.7	R138 R209 D220	R138-E222 HydrophobicContact CB-CG 4.16Å; R138-E222 VanDerWaalsContact CD-OE1 3.3Å; R138-E222 WeakPolarHBondContact CD-OE1 3.48Å; R138-E222 HydrophobicContact CG-CG 3.95Å; R138-E222 IonicContact CZ-OE1 2.86Å; R138-E222 IonicContact NE-OE1 3.38Å; R138-E222 IonicContact NH1-OE1 3.62Å; R138-E222 PolarHBondContact NH1-OE1 3.37Å; R209-E222 PolarHBondContact NH2-O 3Å; D220-E222 HydrophobicContact CB-CG 4.45Å
223	F	94.6	Very high	91.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	109.4	176.8	-54.3	-82.8	0	0	0	111.3	I137 I139 L195 T208 R209 I211 I221 D225 W227	I137-F223 HydrophobicContact CB-CB 4.29Å; I137-F223 HydrophobicContact CB-CD2 4.15Å; I137-F223 HydrophobicContact CG2-CD2 4.08Å; I137-F223 PolarHBondContact N-O 3Å; I137-F223 PolarHBondContact O-N 3.39Å; I139-F223 HydrophobicContact CD1-CE2 4.16Å; L195-F223 HydrophobicContact CD2-CE2 4.31Å; L195-F223 HydrophobicContact CD2-CZ 3.93Å; T208-F223 HydrophobicContact CG2-CD1 3.98Å; T208-F223 HydrophobicContact CG2-CD2 4.28Å; T208-F223 HydrophobicContact CG2-CE1 4.06Å; T208-F223 HydrophobicContact CG2-CE2 4.34Å; T208-F223 HydrophobicContact CG2-CG 4.09Å; T208-F223 HydrophobicContact CG2-CZ 4.23Å; T208-F223 WeakPolarHBondContact OG1-CE1 3.45Å; R209-F223 HydrophobicContact CG-CD1 3.84Å; R209-F223 HydrophobicContact CG-CE1 4.01Å; R209-F223 WeakPolarHBondContact O-CE1 3.26Å; I211-F223 HydrophobicContact CD1-CD1 4.35Å; I211-F223 HydrophobicContact CD1-CE1 3.85Å; I211-F223 HydrophobicContact CG1-CD1 4.47Å; I211-F223 HydrophobicContact CG1-CE1 3.55Å; I211-F223 HydrophobicContact CG1-CZ 3.83Å; I221-F223 HydrophobicContact CG2-CE2 4.08Å; I221-F223 HydrophobicContact CG2-CZ 4.03Å; F223-D225 VanDerWaalsContact C-N 3.31Å; F223-W227 HydrophobicContact CB-CH2 3.95Å
224	N	86.1	Confident	91.2	Very high	119 Å²	119	45.7 Å²	45.7	64%	0.636	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	-4.4	-177.6	-58	-0.5	0	0	0	113
225	D	88.4	Confident	91.3	Very high	24 Å²	24	53.8 Å²	53.8	13%	0.128	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	162.1	173.9	-63.5	-63.9	0	0	0	111.1	F223 W227	F223-D225 VanDerWaalsContact C-N 3.31Å; D225-W227 HydrophobicContact CB-CH2 3.61Å; D225-W227 HydrophobicContact CB-CZ2 3.56Å; D225-W227 HydrophobicContact CB-CZ3 4.28Å; D225-W227 VanDerWaalsContact O-CZ3 3.27Å; D225-W227 WeakPolarHBondContact O-CZ3 3.35Å
226	K	91.5	Very high	91.7	Very high	93 Å²	93	49.4 Å²	49.4	40%	0.404	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	131.6	179.8	-53.1	-160.2	171.1	-166.6	0	110.5	L134 P889	L134-K226 WeakPolarHBondContact O-CA 3.46Å; K226-P889 HydrophobicContact CD-CG 3.91Å
227	W	93.5	Very high	92.2	Very high	17 Å²	17	51 Å²	51	6%	0.064	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	112.6	-178	-57.6	-94.5	0	0	0	110.1	C133 L134 I137 I199 D207 T208 F223 D225 F229	C133-W227 WeakPolarHBondContact CA-O 2.97Å; L134-W227 HydrophobicContact CG-CE3 4.47Å; L134-W227 PolarHBondContact N-O 3Å; L134-W227 PolarHBondContact O-N 3.25Å; I137-W227 HydrophobicContact CD1-CE3 3.97Å; I137-W227 HydrophobicContact CD1-CH2 3.89Å; I137-W227 HydrophobicContact CD1-CZ3 3.37Å; I137-W227 HydrophobicContact CG1-CZ3 3.9Å; I199-W227 HydrophobicContact CD1-CB 4.48Å; I199-W227 HydrophobicContact CD1-CD2 3.36Å; I199-W227 HydrophobicContact CD1-CE3 3.69Å; I199-W227 HydrophobicContact CD1-CG 3.72Å; I199-W227 HydrophobicContact CD1-CH2 4.31Å; I199-W227 HydrophobicContact CD1-CZ2 4.04Å; I199-W227 HydrophobicContact CD1-CZ3 4.16Å; D207-W227 PolarHBondContact O-NE1 3.19Å; D207-W227 VanDerWaalsContact O-NE1 3.07Å; T208-W227 HydrophobicContact CG2-CH2 3.95Å; T208-W227 HydrophobicContact CG2-CZ2 3.71Å; F223-W227 HydrophobicContact CB-CH2 3.95Å; D225-W227 HydrophobicContact CB-CH2 3.61Å; D225-W227 HydrophobicContact CB-CZ2 3.56Å; D225-W227 HydrophobicContact CB-CZ3 4.28Å; D225-W227 VanDerWaalsContact O-CZ3 3.27Å; D225-W227 WeakPolarHBondContact O-CZ3 3.35Å; W227-F229 HydrophobicContact CB-CE2 3.8Å; W227-F229 HydrophobicContact CB-CZ 4.1Å
228	T	93.6	Very high	92.9	Very high	27 Å²	27	48.8 Å²	48.8	17%	0.166	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136	177.4	57.1	0	0	0	0	111.2	L132 C133 I888	L132-T228 CarbonylContact O-C 3.59Å; L132-T228 VanDerWaalsContact O-CA 3.29Å; L132-T228 WeakPolarHBondContact O-CA 3.43Å; C133-T228 HydrophobicContact CB-CG2 4.44Å; T228-I888 HydrophobicContact CG2-CG2 3.81Å
229	F	93.9	Very high	93.2	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	125.3	176.1	-54.2	-95	0	0	0	108.2	Q131 L132 I199 V201 L204 R206 W227 V232	Q131-F229 CarbonylContact C-O 3.59Å; Q131-F229 WeakPolarHBondContact CA-O 3.03Å; L132-F229 HydrophobicContact CB-CB 4.38Å; L132-F229 PolarHBondContact N-O 2.87Å; L132-F229 PolarHBondContact O-N 3.24Å; I199-F229 HydrophobicContact CG2-CE2 4.11Å; I199-F229 HydrophobicContact CG2-CZ 3.72Å; V201-F229 HydrophobicContact CB-CB 4.45Å; V201-F229 HydrophobicContact CB-CD1 3.63Å; V201-F229 HydrophobicContact CB-CD2 4.43Å; V201-F229 HydrophobicContact CB-CE1 3.89Å; V201-F229 HydrophobicContact CB-CG 3.93Å; V201-F229 HydrophobicContact CB-CZ 4.41Å; V201-F229 HydrophobicContact CG1-CB 4.42Å; V201-F229 HydrophobicContact CG1-CD1 4.46Å; V201-F229 HydrophobicContact CG1-CG 4.4Å; V201-F229 HydrophobicContact CG2-CD1 3.74Å; V201-F229 HydrophobicContact CG2-CD2 3.74Å; V201-F229 HydrophobicContact CG2-CE1 3.71Å; V201-F229 HydrophobicContact CG2-CE2 3.73Å; V201-F229 HydrophobicContact CG2-CG 3.75Å; V201-F229 HydrophobicContact CG2-CZ 3.72Å; L204-F229 HydrophobicContact CB-CD1 4.08Å; L204-F229 HydrophobicContact CB-CE1 4.22Å; L204-F229 HydrophobicContact CD1-CD1 4.1Å; R206-F229 HydrophobicContact CB-CZ 4.5Å; R206-F229 HydrophobicContact CG-CE1 3.83Å; R206-F229 HydrophobicContact CG-CZ 3.93Å; W227-F229 HydrophobicContact CB-CE2 3.8Å; W227-F229 HydrophobicContact CB-CZ 4.1Å; F229-V232 HydrophobicContact CB-CG2 3.74Å
230	D	90.8	Very high	93.6	Very high	66 Å²	66	44.5 Å²	44.5	35%	0.353	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	156.9	-179.9	-61.7	-42.7	0	0	0	110.6	Q131 V232 H372	Q131-D230 PolarHBondContact NE2-OD1 3.34Å; D230-V232 PolarHBondContact O-N 3.09Å; D230-H372 IonicContact OD1-CE1 2.78Å
231	D	90.9	Very high	93.8	Very high	75 Å²	75	44.1 Å²	44.1	40%	0.401	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56.4	44.8	178.8	-72.2	-6.1	0	0	0	113.8	K126 Y129 A130 H372	K126-D231 IonicContact NZ-OD1 3.77Å; K126-D231 IonicContact NZ-OD2 3.76Å; K126-D231 PolarHBondContact NZ-OD2 3.43Å; Y129-D231 HydrophobicContact CD1-CB 4.07Å; A130-D231 PolarHBondContact O-N 3.34Å; D231-H372 WeakPolarHBondContact CA-NE2 3.42Å; D231-H372 PolarHBondContact N-NE2 3.45Å; D231-H372 IonicContact OD1-CD2 3.2Å; D231-H372 CovalentContact OD1-NE2 1.81Å; D231-H372 IonicContact OD1-NE2 3.44Å; D231-H372 PolarHBondContact OD1-NE2 3.1Å; D231-H372 IonicContact OD2-NE2 2.67Å
232	V	93.2	Very high	93.8	Very high	11 Å²	11	43.9 Å²	43.9	7%	0.067	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	129.1	177.6	-177.7	0	0	0	0	110.4	Y129 A130 L132 V201 F229 D230 F236	Y129-V232 WeakPolarHBondContact CA-O 3.45Å; A130-V232 PolarHBondContact N-O 3.31Å; A130-V232 PolarHBondContact O-N 3.16Å; L132-V232 HydrophobicContact CB-CB 4.28Å; L132-V232 HydrophobicContact CB-CG1 4.32Å; L132-V232 HydrophobicContact CB-CG2 3.99Å; L132-V232 HydrophobicContact CD2-CG1 4.33Å; V201-V232 HydrophobicContact CG1-CG1 4.3Å; V201-V232 HydrophobicContact CG1-CG2 4.12Å; F229-V232 HydrophobicContact CB-CG2 3.74Å; D230-V232 PolarHBondContact O-N 3.09Å; V232-F236 HydrophobicContact CG1-CB 3.46Å; V232-F236 VanDerWaalsContact CG1-CB 3.46Å; V232-F236 HydrophobicContact CG1-CD1 4.01Å; V232-F236 HydrophobicContact CG1-CG 3.75Å
233	T	94.1	Very high	93.8	Very high	55 Å²	55	41.1 Å²	41.1	34%	0.337	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	166.2	173.9	56.6	0	0	0	0	111.6	Y129 E235 F236	Y129-T233 HydrophobicContact CD1-CG2 4.06Å; Y129-T233 HydrophobicContact CE1-CG2 3.8Å; T233-E235 PolarHBondContact O-N 3.11Å; T233-F236 WeakPolarHBondContact O-CB 3.43Å; T233-F236 WeakPolarHBondContact O-CD1 3.34Å; T233-F236 PolarHBondContact O-N 2.62Å
234	S	93	Very high	93.7	Very high	30 Å²	30	41.1 Å²	41.1	21%	0.21	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.8	177.1	50.6	0	0	0	0	114.5	F236	S234-F236 PolarHBondContact O-N 2.64Å
235	E	94.1	Very high	93.9	Very high	178 Å²	178	36.5 Å²	36.5	83%	0.832	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	16.9	177.4	-58.3	-178.2	163.4	0	0	113.4	T233	T233-E235 PolarHBondContact O-N 3.11Å
236	F	95.2	Very high	93.7	Very high	14 Å²	14	37.2 Å²	37.2	6%	0.061	19%	0.188	C	C	.	.			trans	-69.1	148.4	-174.4	78.8	-86	0	0	0	113.5	L132 V232 T233 S234 C238 T300 L301 V304 L367 W877	L132-F236 HydrophobicContact CD1-CE1 4.14Å; L132-F236 HydrophobicContact CD1-CE2 4.05Å; L132-F236 HydrophobicContact CD1-CZ 3.75Å; L132-F236 HydrophobicContact CD2-CD2 3.71Å; L132-F236 HydrophobicContact CD2-CE2 3.64Å; L132-F236 HydrophobicContact CD2-CG 4.35Å; L132-F236 HydrophobicContact CD2-CZ 4.2Å; V232-F236 HydrophobicContact CG1-CB 3.46Å; V232-F236 VanDerWaalsContact CG1-CB 3.46Å; V232-F236 HydrophobicContact CG1-CD1 4.01Å; V232-F236 HydrophobicContact CG1-CG 3.75Å; T233-F236 WeakPolarHBondContact O-CB 3.43Å; T233-F236 WeakPolarHBondContact O-CD1 3.34Å; T233-F236 PolarHBondContact O-N 2.62Å; S234-F236 PolarHBondContact O-N 2.64Å; F236-C238 HydrophobicContact CD2-CB 4.12Å; F236-C238 HydrophobicContact CE2-CB 4.02Å; F236-T300 WeakPolarHBondContact CZ-O 3.38Å; F236-L301 HydrophobicContact CE1-CB 4.29Å; F236-V304 HydrophobicContact CE1-CG2 4.05Å; F236-V304 HydrophobicContact CZ-CG2 3.7Å; F236-L367 HydrophobicContact CE2-CD2 4.05Å; F236-L367 HydrophobicContact CZ-CD2 4.01Å; F236-W877 HydrophobicContact CD1-CH2 4.19Å; F236-W877 HydrophobicContact CD1-CZ3 4.43Å; F236-W877 HydrophobicContact CE1-CH2 4.27Å; F236-W877 HydrophobicContact CE1-CZ3 4.05Å
237	E	96.5	Very high	92.9	Very high	75 Å²	75	37.2 Å²	37.2	35%	0.35	19%	0.188	S	C	.	.			trans	-112.7	130.1	155.9	-70	-177.9	-156.9	0	0	109	I239 V298 K326	E237-I239 HydrophobicContact CB-CG1 4.32Å; E237-V298 HydrophobicContact CB-CG1 3.99Å; E237-V298 HydrophobicContact CG-CG1 3.89Å; E237-K326 IonicContact OE1-NZ 2.71Å; E237-K326 PolarHBondContact OE1-NZ 2.96Å; E237-K326 IonicContact OE2-NZ 3.19Å; E237-K326 PolarHBondContact OE2-NZ 2.99Å
238	C	97.4	Very high	91.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	96.7	167.1	174.4	0	0	0	0	108	L132 Q200 V201 F236 A299	L132-C238 HydrophobicContact CD2-CB 4.33Å; Q200-C238 CarbonylContact O-C 3.54Å; Q200-C238 WeakPolarHBondContact O-CA 3.48Å; V201-C238 HydrophobicContact CG2-CB 3.88Å; F236-C238 HydrophobicContact CD2-CB 4.12Å; F236-C238 HydrophobicContact CE2-CB 4.02Å; C238-A299 HydrophobicContact CB-CB 4.16Å; C238-A299 PolarHBondContact N-O 2.84Å; C238-A299 PolarHBondContact O-N 3.02Å
239	I	97.6	Very high	89.7	Confident	19 Å²	19	37.8 Å²	37.8	10%	0.097	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	124.7	-178.3	-55.6	168.3	0	0	0	108.3	I199 Q200 E237 E241 R296 C297 V298	I199-I239 CarbonylContact C-O 3.54Å; I199-I239 WeakPolarHBondContact CA-O 3.35Å; Q200-I239 HydrophobicContact CB-CB 4.42Å; Q200-I239 PolarHBondContact N-O 3.16Å; Q200-I239 PolarHBondContact O-N 2.74Å; E237-I239 HydrophobicContact CB-CG1 4.32Å; I239-E241 HydrophobicContact CG2-CG 4.09Å; I239-R296 HydrophobicContact CG2-CG 4.34Å; I239-C297 WeakPolarHBondContact CA-O 3.43Å; I239-V298 HydrophobicContact CG1-CG1 4.36Å; I239-V298 HydrophobicContact CG1-CG2 4.41Å
240	I	97.6	Very high	87.5	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	117.8	173.5	-50.1	173.6	0	0	0	107.6	L134 C197 T198 R296 C297 I363 Y365	L134-I240 HydrophobicContact CD1-CD1 4.27Å; L134-I240 HydrophobicContact CD2-CD1 3.8Å; L134-I240 HydrophobicContact CD2-CG1 4.17Å; C197-I240 HydrophobicContact CB-CG2 4.17Å; T198-I240 WeakPolarHBondContact O-CA 3.44Å; I240-R296 CarbonylContact O-C 3.46Å; I240-R296 WeakPolarHBondContact O-CA 3.49Å; I240-C297 HydrophobicContact CB-CB 4.35Å; I240-C297 PolarHBondContact N-O 3.09Å; I240-C297 PolarHBondContact O-N 2.96Å; I240-I363 HydrophobicContact CD1-CD1 4.42Å; I240-I363 HydrophobicContact CG2-CD1 3.99Å; I240-Y365 HydrophobicContact CD1-CD1 3.96Å; I240-Y365 HydrophobicContact CD1-CE1 4.02Å; I240-Y365 HydrophobicContact CD1-CG 4.45Å
241	E	96.2	Very high	85.2	Confident	34 Å²	34	46.8 Å²	46.8	16%	0.159	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.7	176.6	-76.4	-177.8	173.8	0	0	110.1	C197 T198 I239 Y243 L293 R296	C197-E241 CarbonylContact C-O 3.6Å; C197-E241 WeakPolarHBondContact CA-O 3.47Å; C197-E241 WeakPolarHBondContact CB-O 3.27Å; T198-E241 PolarHBondContact N-O 3.18Å; T198-E241 PolarHBondContact O-N 2.74Å; I239-E241 HydrophobicContact CG2-CG 4.09Å; E241-Y243 HydrophobicContact CB-CD2 4.25Å; E241-Y243 HydrophobicContact CB-CE2 3.57Å; E241-Y243 PolarHBondContact OE2-OH 3.22Å; E241-L293 HydrophobicContact CB-CD1 3.69Å; E241-L293 HydrophobicContact CG-CD1 3.96Å; E241-R296 HydrophobicContact CG-CB 4.35Å; E241-R296 HydrophobicContact CG-CG 3.92Å; E241-R296 IonicContact OE1-NE 3.58Å
242	I	96	Very high	82.6	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118.3	-174.7	-55.2	175.3	0	0	0	109.1	I139 L195 I294 G295 L313 I363	I139-I242 HydrophobicContact CD1-CD1 3.91Å; I139-I242 HydrophobicContact CD1-CG1 4.23Å; I139-I242 HydrophobicContact CD1-CG2 4.21Å; I139-I242 HydrophobicContact CG1-CD1 4.28Å; L195-I242 HydrophobicContact CD1-CG2 3.48Å; L195-I242 VanDerWaalsContact CD1-CG2 3.48Å; L195-I242 HydrophobicContact CD2-CG2 4.21Å; L195-I242 HydrophobicContact CG-CG2 3.92Å; I242-I294 HydrophobicContact CB-CG1 4.29Å; I242-I294 HydrophobicContact CG2-CD1 4.08Å; I242-I294 HydrophobicContact CG2-CG1 3.82Å; I242-I294 PolarHBondContact O-N 2.98Å; I242-G295 PolarHBondContact N-O 2.85Å; I242-L313 HydrophobicContact CD1-CD1 3.67Å; I242-L313 HydrophobicContact CD1-CD2 3.61Å; I242-L313 HydrophobicContact CD1-CG 4.32Å; I242-I363 HydrophobicContact CD1-CD1 4.41Å
243	Y	94.7	Very high	80	Confident	25 Å²	25	52.4 Å²	52.4	10%	0.098	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.3	-175.5	-76.6	-85.2	0	0	0	111	L75 L195 F196 T198 E241 F291 D292 L293	L75-Y243 HydrophobicContact CD1-CD1 3.9Å; L75-Y243 HydrophobicContact CD1-CE1 4.06Å; L75-Y243 HydrophobicContact CD2-CE1 4.32Å; L195-Y243 VanDerWaalsContact CA-O 3.31Å; L195-Y243 WeakPolarHBondContact CA-O 3.48Å; F196-Y243 HydrophobicContact CE1-CG 4.39Å; F196-Y243 HydrophobicContact CE2-CD2 4.27Å; F196-Y243 HydrophobicContact CE2-CG 4.39Å; F196-Y243 HydrophobicContact CZ-CD2 4.3Å; F196-Y243 AromaticContact CZ-CG 3.99Å; F196-Y243 HydrophobicContact CZ-CG 3.99Å; F196-Y243 PolarHBondContact N-O 3.04Å; F196-Y243 PolarHBondContact O-N 2.91Å; F196-Y243 VanDerWaalsContact O-O 3.13Å; T198-Y243 HydrophobicContact CG2-CD2 4.13Å; T198-Y243 HydrophobicContact CG2-CE2 4.07Å; E241-Y243 HydrophobicContact CB-CD2 4.25Å; E241-Y243 HydrophobicContact CB-CE2 3.57Å; E241-Y243 PolarHBondContact OE2-OH 3.22Å; Y243-F291 HydrophobicContact CD1-CB 4.27Å; Y243-D292 CarbonylContact C-O 3.59Å; Y243-D292 VanDerWaalsContact CA-O 3.26Å; Y243-D292 WeakPolarHBondContact CA-O 3.44Å; Y243-L293 HydrophobicContact CD1-CB 4.38Å; Y243-L293 HydrophobicContact CE1-CB 3.93Å; Y243-L293 HydrophobicContact CE1-CD1 4.39Å; Y243-L293 HydrophobicContact CE2-CD1 4.17Å
244	A	94	Very high	77.2	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	146.2	-175	0	0	0	0	0	114.2	S194 L195 F291 D292 I294 L357	S194-A244 CarbonylContact O-C 3.57Å; S194-A244 VanDerWaalsContact O-CA 3.26Å; S194-A244 WeakPolarHBondContact O-CA 3.29Å; L195-A244 HydrophobicContact CD1-CB 4.39Å; A244-F291 CarbonylContact O-C 3.59Å; A244-F291 WeakPolarHBondContact O-CA 3.03Å; A244-D292 PolarHBondContact N-O 3.45Å; A244-D292 PolarHBondContact O-N 2.86Å; A244-I294 HydrophobicContact CB-CD1 3.56Å; A244-I294 HydrophobicContact CB-CG1 3.93Å; A244-I294 HydrophobicContact CB-CG2 4.05Å; A244-L357 HydrophobicContact CB-CD2 4.2Å
245	F	90.6	Very high	74.5	Confident	23 Å²	23	59.4 Å²	59.4	10%	0.101	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	129.5	173.2	179.6	-81.5	0	0	0	108.8	L68 Y193 S194 Y290 F291	L68-F245 HydrophobicContact CD1-CB 4.27Å; L68-F245 HydrophobicContact CD1-CD1 4.03Å; L68-F245 HydrophobicContact CD1-CD2 4.23Å; L68-F245 HydrophobicContact CD1-CE1 4.47Å; L68-F245 HydrophobicContact CD1-CG 3.92Å; L68-F245 HydrophobicContact CD2-CD2 3.41Å; L68-F245 VanDerWaalsContact CD2-CD2 3.41Å; L68-F245 HydrophobicContact CD2-CE2 3.66Å; L68-F245 HydrophobicContact CD2-CG 3.96Å; L68-F245 HydrophobicContact CD2-CZ 4.34Å; L68-F245 HydrophobicContact CG-CD2 4.49Å; Y193-F245 WeakPolarHBondContact CA-O 3.3Å; S194-F245 PolarHBondContact N-O 2.97Å; S194-F245 PolarHBondContact O-N 3.39Å; F245-Y290 HydrophobicContact CD2-CD1 4.36Å; F245-Y290 WeakPolarHBondContact CD2-O 3.34Å; F245-Y290 HydrophobicContact CE2-CD1 4.09Å; F245-F291 HydrophobicContact CB-CD1 4.04Å; F245-F291 HydrophobicContact CB-CE1 3.88Å
246	P	82.8	Confident	71.9	Confident	38 Å²	38	56.3 Å²	56.3	25%	0.247	30%	0.303	C	S	.	.			trans	-70.3	149.5	-174.1	27.5	-34.8	0	0	0	113.7	G248 G249 C355	P246-G248 PolarHBondContact O-N 3.45Å; P246-G249 PolarHBondContact O-N 3.01Å; P246-C355 HydrophobicContact CB-CB 4.17Å
247	K	74.3	Confident	69	Low	94 Å²	94	60.6 Å²	60.6	41%	0.409	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	130.6	176.2	163.5	173.8	171.1	84	0	111	D191 Y193 G249	D191-K247 WeakPolarHBondContact O-CD 3.46Å; D191-K247 VanDerWaalsContact O-CG 3.31Å; D191-K247 WeakPolarHBondContact O-CG 3.43Å; D191-K247 PolarHBondContact O-NZ 2.66Å; Y193-K247 HydrophobicContact CD1-CB 4.16Å; Y193-K247 HydrophobicContact CD2-CB 4.13Å; Y193-K247 HydrophobicContact CE1-CB 3.85Å; Y193-K247 HydrophobicContact CE2-CB 3.82Å; Y193-K247 HydrophobicContact CE2-CD 4.48Å; Y193-K247 HydrophobicContact CG-CB 4.27Å; K247-G249 PolarHBondContact O-N 3.26Å
248	G	65.9	Low	65.9	Low	27 Å²	27	66.6 Å²	66.6	28%	0.278	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	16.7	177.9	0	0	0	0	0	114.4	C190 P246 S250	C190-G248 PolarHBondContact O-N 3.28Å; C190-G248 VanDerWaalsContact O-N 3.13Å; P246-G248 PolarHBondContact O-N 3.45Å; G248-S250 PolarHBondContact O-N 3.08Å
249	G	54	Low	62.8	Low	29 Å²	29	77.4 Å²	77.4	30%	0.299	40%	0.4	S	S	.	.			trans	-55.1	130.3	175.1	0	0	0	0	0	110.8	P246 K247	P246-G249 PolarHBondContact O-N 3.01Å; K247-G249 PolarHBondContact O-N 3.26Å
250	S	48.1	Very low	59.5	Low	65 Å²	65	87.1 Å²	87.1	46%	0.455	44%	0.436	S	S	.	.			trans	111.9	24.8	-174.6	-164.4	0	0	0	0	117.3	G248 N253	G248-S250 PolarHBondContact O-N 3.08Å; S250-N253 WeakPolarHBondContact CB-ND2 2.91Å; S250-N253 VanDerWaalsContact OG-CB 3.29Å; S250-N253 WeakPolarHBondContact OG-CB 3.44Å; S250-N253 PolarHBondContact OG-ND2 3.48Å
251	K	42.7	Very low	56.3	Low	191 Å²	191	93.3 Å²	93.3	83%	0.83	47%	0.468	S	S	*	.	S	Bend	trans	-69.3	-32.8	166	-73.6	-173.5	177.8	178.7	0	114.3
252	N	37.3	Very low	53	Low	145 Å²	145	97.7 Å²	97.7	78%	0.775	49%	0.492	S	S	*	.	S	Bend	trans	-97.8	10.5	-172.2	-61.5	4.5	0	0	0	113.6	S254	N252-S254 VanDerWaalsContact C-N 3.29Å; N252-S254 PolarHBondContact O-N 2.73Å; N252-S254 VanDerWaalsContact O-N 3.1Å
253	N	38.9	Very low	49.8	Very low	58 Å²	58	103.5 Å²	103.5	31%	0.31	53%	0.529	S	S	.	.			trans	-87.8	39	-168	-83.7	-11	0	0	0	114.8	S250 L255 F256	S250-N253 WeakPolarHBondContact CB-ND2 2.91Å; S250-N253 VanDerWaalsContact OG-CB 3.29Å; S250-N253 WeakPolarHBondContact OG-CB 3.44Å; S250-N253 PolarHBondContact OG-ND2 3.48Å; N253-L255 PolarHBondContact O-N 2.85Å; N253-L255 VanDerWaalsContact O-N 3.07Å; N253-F256 HydrophobicContact CB-CD2 3.54Å; N253-F256 HydrophobicContact CB-CE2 4.06Å; N253-F256 HydrophobicContact CB-CG 4.36Å; N253-F256 VanDerWaalsContact CG-CD2 3.48Å; N253-F256 VanDerWaalsContact CG-CE2 3.43Å; N253-F256 PolarHBondContact O-N 2.84Å; N253-F256 WeakPolarHBondContact OD1-CE2 3.33Å
254	S	35.3	Very low	46.7	Very low	102 Å²	102	109.7 Å²	109.7	71%	0.713	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-57.7	-20.4	168.7	59.7	0	0	0	0	113	N252 F256	N252-S254 VanDerWaalsContact C-N 3.29Å; N252-S254 PolarHBondContact O-N 2.73Å; N252-S254 VanDerWaalsContact O-N 3.1Å; S254-F256 VanDerWaalsContact C-N 3.25Å; S254-F256 PolarHBondContact O-N 2.95Å
255	L	36.2	Very low	43.5	Very low	130 Å²	130	120.1 Å²	120.1	68%	0.681	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-65.8	-18.7	174.2	-61	178.4	0	0	0	114.5	N253	N253-L255 PolarHBondContact O-N 2.85Å; N253-L255 VanDerWaalsContact O-N 3.07Å
256	F	39.7	Very low	40.3	Very low	114 Å²	114	127 Å²	127	50%	0.5	64%	0.641	S	S	.	*	G	3₁₀ helix	trans	-84.3	-7.3	-174.5	-77.7	-102.6	0	0	0	114.4	N253 S254	N253-F256 HydrophobicContact CB-CD2 3.54Å; N253-F256 HydrophobicContact CB-CE2 4.06Å; N253-F256 HydrophobicContact CB-CG 4.36Å; N253-F256 VanDerWaalsContact CG-CD2 3.48Å; N253-F256 VanDerWaalsContact CG-CE2 3.43Å; N253-F256 PolarHBondContact O-N 2.84Å; N253-F256 WeakPolarHBondContact OD1-CE2 3.33Å; S254-F256 VanDerWaalsContact C-N 3.25Å; S254-F256 PolarHBondContact O-N 2.95Å
257	S	33.5	Very low	37.7	Very low	104 Å²	104	128.7 Å²	128.7	73%	0.727	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-94.4	-5.7	-175.2	-58.2	0	0	0	0	116.2
258	K	31.3	Very low	35.5	Very low	201 Å²	201	131 Å²	131	87%	0.874	69%	0.687	S	S	*	*	S	Bend	trans	-137	0.2	-170	-74.5	-168.3	177.3	177.7	0	119.1
259	R	31.2	Very low	33.8	Very low	227 Å²	227	141.4 Å²	141.4	86%	0.857	72%	0.718	S	S	*	*			trans	-98.7	91.3	173.7	-78.1	-175.5	174.7	160.7	-0.3	112.3	I261	R259-I261 PolarHBondContact O-N 3.43Å; R259-I261 VanDerWaalsContact O-N 3.13Å
260	R	28.7	Very low	32.5	Very low	222 Å²	222	152 Å²	152	84%	0.838	75%	0.748	S	S	*	*			trans	-57.3	112.3	160.3	-85.2	-176.1	-79.9	166.1	-6.3	108.7	L262	R260-L262 HydrophobicContact CB-CD1 4.31Å; R260-L262 PolarHBondContact O-N 2.97Å; R260-L262 VanDerWaalsContact O-N 3.16Å
261	I	31.8	Very low	31.7	Very low	131 Å²	131	155 Å²	155	67%	0.672	77%	0.77	S	S	*	*			trans	-75	99.2	165	-61.6	173.7	0	0	0	106	S59 R259	S59-I261 WeakPolarHBondContact OG-CD1 3.41Å; R259-I261 PolarHBondContact O-N 3.43Å; R259-I261 VanDerWaalsContact O-N 3.13Å
262	L	25.6	Very low	31	Very low	126 Å²	126	150.5 Å²	150.5	66%	0.66	76%	0.762	S	S	*	*			trans	-65.1	139.7	174.3	-85.2	85.5	0	0	0	109.7	R260 I264	R260-L262 HydrophobicContact CB-CD1 4.31Å; R260-L262 PolarHBondContact O-N 2.97Å; R260-L262 VanDerWaalsContact O-N 3.16Å; L262-I264 PolarHBondContact O-N 2.91Å; L262-I264 VanDerWaalsContact O-N 3.08Å
263	P	29.2	Very low	30.4	Very low	122 Å²	122	149.8 Å²	149.8	79%	0.792	76%	0.758	S	S	*	*			trans	-71.6	101.6	169.5	30.2	-32.3	0	0	0	108.9	Y265	P263-Y265 VanDerWaalsContact C-N 3.25Å; P263-Y265 PolarHBondContact O-N 2.77Å
264	I	29	Very low	30	Very low	154 Å²	154	156.1 Å²	156.1	79%	0.79	79%	0.786	S	S	*	*			trans	-77.1	84.2	173.3	-59	177.3	0	0	0	108.7	L262	L262-I264 PolarHBondContact O-N 2.91Å; L262-I264 VanDerWaalsContact O-N 3.08Å
265	Y	26.6	Very low	29.6	Very low	220 Å²	220	159.6 Å²	159.6	86%	0.863	79%	0.791	S	S	*	*			trans	-145.7	67.8	162	-110.3	-82.9	0	0	0	108.5	P263	P263-Y265 VanDerWaalsContact C-N 3.25Å; P263-Y265 PolarHBondContact O-N 2.77Å
266	D	25.3	Very low	29	Very low	168 Å²	168	159.4 Å²	159.4	90%	0.898	80%	0.795	S	S	*	*			trans	177.1	169.7	146.1	-98.9	-29.3	0	0	0	111.2
267	G	28	Very low	28.5	Very low	72 Å²	72	159.3 Å²	159.3	74%	0.742	80%	0.803	S	S	*	*			trans	109.5	59.4	160.2	0	0	0	0	0	117.7	R269	G267-R269 PolarHBondContact O-N 2.9Å
268	V	27.9	Very low	28	Very low	144 Å²	144	160.6 Å²	160.6	87%	0.873	80%	0.802	S	S	*	*			trans	-73.3	107.8	158.7	174.4	0	0	0	0	109.5
269	R	28.8	Very low	27.7	Very low	244 Å²	244	155.8 Å²	155.8	92%	0.921	79%	0.794	S	S	*	*			trans	-167.4	156.6	147.7	-107.4	156.9	-157.8	-133.8	5.4	114.5	G267	G267-R269 PolarHBondContact O-N 2.9Å
270	R	28.6	Very low	27.3	Very low	251 Å²	251	152.7 Å²	152.7	95%	0.947	79%	0.794	S	S	*	*			trans	-72.7	146.7	-168.9	-50.9	166.5	-176.3	175.7	-1.3	113.3
271	S	30.9	Very low	27.1	Very low	129 Å²	129	146.7 Å²	146.7	90%	0.902	79%	0.786	S	S	*	*			trans	-154.7	167.5	135.4	-160.6	0	0	0	0	109.9
272	S	27.1	Very low	26.9	Very low	96 Å²	96	145 Å²	145	67%	0.671	79%	0.786	S	S	*	*			trans	-99.9	157.1	-171.1	-124.4	0	0	0	0	113.9
273	D	26	Very low	27.2	Very low	130 Å²	130	142.8 Å²	142.8	70%	0.695	77%	0.774	S	S	*	*			trans	30.3	109.3	148.2	-53.6	-65.7	0	0	0	120.2
274	Q	29.2	Very low	27.2	Very low	191 Å²	191	142.6 Å²	142.6	89%	0.893	77%	0.767	S	S	*	*				-167.5	141.5	122.8	-104.2	148.8	61.2	0	0	114.4
275	H	26.2	Very low	27.5	Very low	175 Å²	175	140.7 Å²	140.7	81%	0.81	75%	0.754	S	S	*	*			trans	39.4	93	158.1	-109.3	-91.2	0	0	0	119.4	V277	H275-V277 PolarHBondContact O-N 3.02Å
276	V	25.5	Very low	27.9	Very low	126 Å²	126	135 Å²	135	76%	0.764	74%	0.739	S	S	*	*			trans	-80.8	113	159.2	179	0	0	0	0	109.3
277	V	27.5	Very low	28.7	Very low	112 Å²	112	130.5 Å²	130.5	68%	0.679	72%	0.721	S	S	*	*			trans	-92.1	115.8	162.9	176.7	0	0	0	0	107.5	H275 S279	H275-V277 PolarHBondContact O-N 3.02Å; V277-S279 PolarHBondContact O-N 3.3Å
278	N	23.7	Very low	29.6	Very low	131 Å²	131	130.7 Å²	130.7	70%	0.701	71%	0.71	S	S	*	*			trans	-62	129.6	-178.9	-69.7	-13.5	0	0	0	110.8
279	S	25.6	Very low	31.3	Very low	101 Å²	101	129.2 Å²	129.2	71%	0.706	69%	0.694	S	S	*	*			trans	-142	49.9	175.4	-67.4	0	0	0	0	109.7	V277 S281	V277-S279 PolarHBondContact O-N 3.3Å; S279-S281 PolarHBondContact O-N 3.49Å
280	D	23	Very low	33.9	Very low	161 Å²	161	119.3 Å²	119.3	86%	0.861	66%	0.657	S	S	*	*			trans	-75.7	78	-177.4	-82.1	-40.9	0	0	0	112.2
281	S	24.6	Very low	36.8	Very low	96 Å²	96	107.8 Å²	107.8	67%	0.671	61%	0.614	S	S	*	*			trans	-153.4	161	163.3	65.3	0	0	0	0	113	S279	S279-S281 PolarHBondContact O-N 3.49Å
282	S	25.9	Very low	39.6	Very low	96 Å²	96	103.8 Å²	103.8	67%	0.671	58%	0.582	S	S	*	*			trans	56.6	66.4	166.3	65.5	0	0	0	0	120.4
283	I	33.1	Very low	42.8	Very low	79 Å²	79	100.7 Å²	100.7	41%	0.405	56%	0.558	S	S	.	*			trans	-127.7	-14.7	155.5	-34.5	-178.1	0	0	0	114	P23 T24 Q285	P23-I283 HydrophobicContact CG-CB 3.75Å; P23-I283 HydrophobicContact CG-CG2 3.66Å; P23-I283 WeakPolarHBondContact CG-O 3.5Å; T24-I283 HydrophobicContact CG2-CG2 4.38Å; I283-Q285 PolarHBondContact O-N 2.95Å
284	N	28	Very low	45.9	Very low	119 Å²	119	95 Å²	95	64%	0.636	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	17.2	-175.3	-84.4	-14.9	0	0	0	116.1	P23	P23-N284 WeakPolarHBondContact CG-OD1 3.33Å
285	Q	35.7	Very low	49	Very low	114 Å²	114	85.9 Å²	85.9	53%	0.533	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-7.2	-170.1	-70.9	175.7	-22.5	0	0	115.3	I283 S287 S288	I283-Q285 PolarHBondContact O-N 2.95Å; Q285-S287 PolarHBondContact O-N 2.86Å; Q285-S288 PolarHBondContact O-N 2.78Å; Q285-S288 PolarHBondContact O-OG 2.77Å
286	N	35.9	Very low	52.3	Low	100 Å²	100	78.4 Å²	78.4	54%	0.535	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-9.6	-163.7	-64.4	10.3	0	0	0	116
287	S	41	Very low	55.7	Low	74 Å²	74	72.7 Å²	72.7	52%	0.517	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-15	172.9	57.8	0	0	0	0	114.3	Q285	Q285-S287 PolarHBondContact O-N 2.86Å
288	S	48.4	Very low	59	Low	75 Å²	75	69.3 Å²	69.3	52%	0.524	40%	0.395	S	S	.	.	S	Bend	trans	-95.5	8.8	179.8	55.1	0	0	0	0	113.6	Q285	Q285-S288 PolarHBondContact O-N 2.78Å; Q285-S288 PolarHBondContact O-OG 2.77Å
289	Q	62.5	Low	62.5	Low	113 Å²	113	63.1 Å²	63.1	53%	0.528	36%	0.361	S	S	.	.	S	Bend	trans	-93.1	2.4	-179.8	-73.3	-175	-31.9	0	0	114.7
290	Y	83	Confident	65.9	Low	37 Å²	37	60.4 Å²	60.4	15%	0.145	34%	0.341	C	S	.	.	S	Bend	trans	-114.2	-56.6	178.1	-71	-81.7	0	0	0	112.6	L58 L68 A71 F245	L58-Y290 HydrophobicContact CD2-CE2 4.31Å; L68-Y290 HydrophobicContact CD2-CD1 3.82Å; L68-Y290 HydrophobicContact CD2-CE1 4.44Å; A71-Y290 HydrophobicContact CB-CD1 3.87Å; A71-Y290 HydrophobicContact CB-CD2 3.83Å; A71-Y290 HydrophobicContact CB-CE1 4.39Å; A71-Y290 HydrophobicContact CB-CE2 4.35Å; A71-Y290 HydrophobicContact CB-CG 3.56Å; F245-Y290 HydrophobicContact CD2-CD1 4.36Å; F245-Y290 WeakPolarHBondContact CD2-O 3.34Å; F245-Y290 HydrophobicContact CE2-CD1 4.09Å
291	F	91.1	Very high	69.4	Low	9 Å²	9	55.4 Å²	55.4	4%	0.039	31%	0.314	C	S	.	.			trans	-122.1	117.8	-171.7	-69.3	-81.5	0	0	0	112	L68 A71 K72 L75 F196 L210 Y243 A244 F245	L68-F291 HydrophobicContact CB-CZ 4.17Å; L68-F291 HydrophobicContact CD2-CZ 4.42Å; A71-F291 HydrophobicContact CB-CD2 4.28Å; A71-F291 HydrophobicContact CB-CE2 3.86Å; K72-F291 HydrophobicContact CB-CE2 4.03Å; K72-F291 HydrophobicContact CB-CZ 4.33Å; L75-F291 HydrophobicContact CD1-CB 4.01Å; F196-F291 HydrophobicContact CD1-CD1 4.01Å; F196-F291 AromaticContact CD1-CE1 3.82Å; F196-F291 HydrophobicContact CD1-CE1 3.82Å; F196-F291 HydrophobicContact CD1-CG 4.49Å; F196-F291 HydrophobicContact CD1-CZ 4.12Å; F196-F291 HydrophobicContact CE1-CB 4.32Å; F196-F291 AromaticContact CE1-CD1 3.66Å; F196-F291 HydrophobicContact CE1-CD1 3.66Å; F196-F291 AromaticContact CE1-CD2 3.87Å; F196-F291 HydrophobicContact CE1-CD2 3.87Å; F196-F291 AromaticContact CE1-CE1 3.81Å; F196-F291 HydrophobicContact CE1-CE1 3.81Å; F196-F291 AromaticContact CE1-CE2 4Å; F196-F291 HydrophobicContact CE1-CE2 4Å; F196-F291 AromaticContact CE1-CG 3.7Å; F196-F291 HydrophobicContact CE1-CG 3.7Å; F196-F291 AromaticContact CE1-CZ 3.97Å; F196-F291 HydrophobicContact CE1-CZ 3.97Å; L210-F291 HydrophobicContact CD1-CE1 3.96Å; L210-F291 HydrophobicContact CD1-CZ 3.86Å; Y243-F291 HydrophobicContact CD1-CB 4.27Å; A244-F291 CarbonylContact O-C 3.59Å; A244-F291 WeakPolarHBondContact O-CA 3.03Å; F245-F291 HydrophobicContact CB-CD1 4.04Å; F245-F291 HydrophobicContact CB-CE1 3.88Å
292	D	89.7	Confident	72.7	Confident	44 Å²	44	59.8 Å²	59.8	24%	0.235	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	144.4	168.8	-69.8	-36.6	0	0	0	110.6	Y243 A244 I294 C355	Y243-D292 CarbonylContact C-O 3.59Å; Y243-D292 VanDerWaalsContact CA-O 3.26Å; Y243-D292 WeakPolarHBondContact CA-O 3.44Å; A244-D292 PolarHBondContact N-O 3.45Å; A244-D292 PolarHBondContact O-N 2.86Å; D292-I294 HydrophobicContact CB-CG2 4.01Å; D292-I294 PolarHBondContact O-N 3.12Å; D292-C355 HydrophobicContact CB-CB 4.07Å; D292-C355 WeakPolarHBondContact OD2-CB 3.5Å; D292-C355 PolarHBondContact OD2-N 3.25Å
293	L	92.6	Very high	76	Confident	31 Å²	31	56.7 Å²	56.7	16%	0.162	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	105.2	164.2	175.3	60.4	0	0	0	108.1	E241 Y243 G295 L319	E241-L293 HydrophobicContact CB-CD1 3.69Å; E241-L293 HydrophobicContact CG-CD1 3.96Å; Y243-L293 HydrophobicContact CD1-CB 4.38Å; Y243-L293 HydrophobicContact CE1-CB 3.93Å; Y243-L293 HydrophobicContact CE1-CD1 4.39Å; Y243-L293 HydrophobicContact CE2-CD1 4.17Å; L293-G295 WeakPolarHBondContact CD1-O 3.26Å; L293-L319 HydrophobicContact CD2-CD2 4.42Å; L293-L319 HydrophobicContact CG-CD1 4.4Å; L293-L319 HydrophobicContact CG-CD2 4.33Å; L293-L319 WeakPolarHBondContact O-CD1 3.38Å
294	I	92.4	Very high	78.9	Confident	11 Å²	11	54.5 Å²	54.5	6%	0.056	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-17	-175.7	62.3	161.3	0	0	0	113.9	L195 I242 A244 D292 I354 C355 L357 L359	L195-I294 HydrophobicContact CD1-CD1 4.14Å; I242-I294 HydrophobicContact CB-CG1 4.29Å; I242-I294 HydrophobicContact CG2-CD1 4.08Å; I242-I294 HydrophobicContact CG2-CG1 3.82Å; I242-I294 PolarHBondContact O-N 2.98Å; A244-I294 HydrophobicContact CB-CD1 3.56Å; A244-I294 HydrophobicContact CB-CG1 3.93Å; A244-I294 HydrophobicContact CB-CG2 4.05Å; D292-I294 HydrophobicContact CB-CG2 4.01Å; D292-I294 PolarHBondContact O-N 3.12Å; I294-I354 HydrophobicContact CG2-CG2 4.26Å; I294-C355 HydrophobicContact CG2-CB 3.9Å; I294-L357 HydrophobicContact CD1-CB 4.03Å; I294-L357 HydrophobicContact CD1-CD2 3.79Å; I294-L359 HydrophobicContact CD1-CD1 3.92Å; I294-L359 HydrophobicContact CD1-CD2 3.92Å; I294-L359 HydrophobicContact CD1-CG 4.03Å; I294-L359 HydrophobicContact CG1-CD1 4.17Å
295	G	93.8	Very high	81.9	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	154.6	179.1	0	0	0	0	0	113.2	I242 L293 E314	I242-G295 PolarHBondContact N-O 2.85Å; L293-G295 WeakPolarHBondContact CD1-O 3.26Å; G295-E314 CarbonylContact C-O 3.5Å; G295-E314 VanDerWaalsContact CA-O 3.31Å; G295-E314 WeakPolarHBondContact CA-O 3.41Å
296	R	96.2	Very high	84.4	Confident	17 Å²	17	48.5 Å²	48.5	6%	0.064	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	144.7	-179.4	178.9	175.5	178.2	-77.4	-10.5	111.6	I239 I240 E241 V298 L313 E314 L319 S322	I239-R296 HydrophobicContact CG2-CG 4.34Å; I240-R296 CarbonylContact O-C 3.46Å; I240-R296 WeakPolarHBondContact O-CA 3.49Å; E241-R296 HydrophobicContact CG-CB 4.35Å; E241-R296 HydrophobicContact CG-CG 3.92Å; E241-R296 IonicContact OE1-NE 3.58Å; R296-V298 VanDerWaalsContact CZ-CG2 3.48Å; R296-V298 VanDerWaalsContact NH1-CG2 3.28Å; R296-L313 CarbonylContact O-C 3.59Å; R296-L313 WeakPolarHBondContact O-CA 3.48Å; R296-E314 HydrophobicContact CB-CB 4.19Å; R296-E314 IonicContact CZ-OE2 3.79Å; R296-E314 PolarHBondContact N-O 2.66Å; R296-E314 IonicContact NH1-OE1 2.83Å; R296-E314 PolarHBondContact NH1-OE1 3.45Å; R296-E314 IonicContact NH1-OE2 2.75Å; R296-E314 PolarHBondContact NH1-OE2 3.35Å; R296-E314 WeakPolarHBondContact O-CB 3.43Å; R296-E314 PolarHBondContact O-N 3.47Å; R296-L319 HydrophobicContact CB-CD2 3.47Å; R296-L319 VanDerWaalsContact CB-CD2 3.47Å; R296-S322 PolarHBondContact NH1-OG 2.97Å
297	C	96.5	Very high	87	Confident	7 Å²	7	49.7 Å²	49.7	5%	0.047	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	150.3	172.8	-161.9	0	0	0	0	109.4	I239 I240 L313 I363	I239-C297 WeakPolarHBondContact CA-O 3.43Å; I240-C297 HydrophobicContact CB-CB 4.35Å; I240-C297 PolarHBondContact N-O 3.09Å; I240-C297 PolarHBondContact O-N 2.96Å; C297-L313 HydrophobicContact CB-CD2 4.04Å; C297-I363 HydrophobicContact CB-CG2 3.93Å
298	V	97.2	Very high	89.6	Confident	41 Å²	41	49.8 Å²	49.8	25%	0.248	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	109	172.1	-172.4	0	0	0	0	108.3	E237 I239 R296	E237-V298 HydrophobicContact CB-CG1 3.99Å; E237-V298 HydrophobicContact CG-CG1 3.89Å; I239-V298 HydrophobicContact CG1-CG1 4.36Å; I239-V298 HydrophobicContact CG1-CG2 4.41Å; R296-V298 VanDerWaalsContact CZ-CG2 3.48Å; R296-V298 VanDerWaalsContact NH1-CG2 3.28Å
299	A	97.1	Very high	91.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	142.7	173.8	0	0	0	0	0	110.5	C238 D303 Y365 L367	C238-A299 HydrophobicContact CB-CB 4.16Å; C238-A299 PolarHBondContact N-O 2.84Å; C238-A299 PolarHBondContact O-N 3.02Å; A299-D303 HydrophobicContact CB-CB 4.2Å; A299-Y365 HydrophobicContact CB-CE2 4.09Å; A299-Y365 WeakPolarHBondContact CB-OH 2.97Å; A299-L367 HydrophobicContact CB-CD2 3.69Å
300	T	96.7	Very high	93.5	Very high	45 Å²	45	44.8 Å²	44.8	28%	0.276	23%	0.232	S	C	.	.			trans	-130.4	-177.6	-176.3	68.6	0	0	0	0	110.2	F236 K302 D303	F236-T300 WeakPolarHBondContact CZ-O 3.38Å; T300-K302 PolarHBondContact O-N 2.86Å; T300-K302 VanDerWaalsContact O-N 3.1Å; T300-K302 PolarHBondContact OG1-N 3.38Å; T300-D303 WeakPolarHBondContact CA-OD2 3.43Å; T300-D303 PolarHBondContact N-OD2 3.25Å; T300-D303 WeakPolarHBondContact O-CB 3.37Å; T300-D303 PolarHBondContact O-N 3.23Å; T300-D303 PolarHBondContact OG1-OD2 3.44Å
301	L	95.3	Very high	94.1	Very high	55 Å²	55	44.3 Å²	44.3	29%	0.288	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-50.4	-31.6	170.4	-176.2	64.3	0	0	0	113.8	F236 D303 V304 I876 W877	F236-L301 HydrophobicContact CE1-CB 4.29Å; L301-D303 PolarHBondContact O-N 2.97Å; L301-V304 PolarHBondContact O-N 2.91Å; L301-I876 HydrophobicContact CD2-CG2 4.1Å; L301-W877 HydrophobicContact CD1-CD2 4.23Å; L301-W877 HydrophobicContact CD1-CE3 3.42Å; L301-W877 VanDerWaalsContact CD1-CE3 3.42Å; L301-W877 HydrophobicContact CD1-CH2 4.47Å; L301-W877 HydrophobicContact CD1-CZ3 3.56Å
302	K	94.3	Very high	94.3	Very high	189 Å²	189	49.1 Å²	49.1	82%	0.822	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-69.8	-18.8	-179.7	-62.6	174.6	-177.6	170.8	0	113.6	T300	T300-K302 PolarHBondContact O-N 2.86Å; T300-K302 VanDerWaalsContact O-N 3.1Å; T300-K302 PolarHBondContact OG1-N 3.38Å
303	D	95	Very high	94.5	Very high	30 Å²	30	47.2 Å²	47.2	16%	0.16	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-97.9	-8.3	-173.2	-52.8	-70	0	0	0	111.7	A299 T300 L301 Q305 H311 L367	A299-D303 HydrophobicContact CB-CB 4.2Å; T300-D303 WeakPolarHBondContact CA-OD2 3.43Å; T300-D303 PolarHBondContact N-OD2 3.25Å; T300-D303 WeakPolarHBondContact O-CB 3.37Å; T300-D303 PolarHBondContact O-N 3.23Å; T300-D303 PolarHBondContact OG1-OD2 3.44Å; L301-D303 PolarHBondContact O-N 2.97Å; D303-Q305 PolarHBondContact O-N 3.47Å; D303-Q305 PolarHBondContact O-NE2 3.2Å; D303-Q305 VanDerWaalsContact O-NE2 3.13Å; D303-H311 VanDerWaalsContact CA-CE1 3.44Å; D303-H311 WeakPolarHBondContact CA-CE1 3.15Å; D303-H311 WeakPolarHBondContact CB-CE1 3.32Å; D303-H311 IonicContact OD1-CE1 3.7Å; D303-H311 PolarHBondContact OD1-CE1 3.3Å; D303-H311 IonicContact OD1-ND1 3.2Å; D303-L367 HydrophobicContact CB-CD2 4.4Å
304	V	93.8	Very high	94.5	Very high	33 Å²	33	47.8 Å²	47.8	20%	0.2	25%	0.253	C	S	.	.			trans	-69	120.8	177.4	-179.6	0	0	0	0	110.8	F236 L301 L367 A369	F236-V304 HydrophobicContact CE1-CG2 4.05Å; F236-V304 HydrophobicContact CZ-CG2 3.7Å; L301-V304 PolarHBondContact O-N 2.91Å; V304-L367 CarbonylContact C-O 3.6Å; V304-L367 WeakPolarHBondContact CA-O 3.32Å; V304-L367 HydrophobicContact CG2-CD2 4.09Å; V304-L367 HydrophobicContact CG2-CG 4.31Å; V304-A369 HydrophobicContact CG1-CB 3.89Å; V304-A369 HydrophobicContact CG2-CB 4.37Å
305	Q	90.9	Very high	94.3	Very high	51 Å²	51	50.5 Å²	50.5	24%	0.238	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	145	178	58.5	-155.6	-68.9	0	0	110.8	D303 K307 S309 L367	D303-Q305 PolarHBondContact O-N 3.47Å; D303-Q305 PolarHBondContact O-NE2 3.2Å; D303-Q305 VanDerWaalsContact O-NE2 3.13Å; Q305-K307 HydrophobicContact CG-CG 3.99Å; Q305-K307 PolarHBondContact O-N 3.46Å; Q305-S309 PolarHBondContact NE2-OG 3.01Å; Q305-L367 PolarHBondContact N-O 3.15Å; Q305-L367 VanDerWaalsContact O-O 3.06Å
306	N	89.2	Confident	93.6	Very high	56 Å²	56	52.2 Å²	52.2	30%	0.299	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	38.9	-179.9	-162.9	5.6	0	0	0	114	I368 E880	N306-I368 WeakPolarHBondContact OD1-CD1 3.38Å; N306-E880 WeakPolarHBondContact CB-OE1 3.44Å; N306-E880 PolarHBondContact N-OE1 3.16Å
307	K	91.5	Very high	92.3	Very high	125 Å²	125	57.6 Å²	57.6	54%	0.543	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	162.4	174.6	73.6	175.8	-162.5	-156.7	0	111.7	Q305 R366	Q305-K307 HydrophobicContact CG-CG 3.99Å; Q305-K307 PolarHBondContact O-N 3.46Å; K307-R366 WeakPolarHBondContact O-CB 3.46Å; K307-R366 WeakPolarHBondContact O-CG 3.3Å
308	V	94.3	Very high	91.1	Very high	76 Å²	76	62.7 Å²	62.7	46%	0.461	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	137.2	166.8	-176.4	0	0	0	0	109	D136 C364 Y365 R366	D136-V308 HydrophobicContact CB-CG2 3.88Å; V308-C364 HydrophobicContact CG1-CB 4.13Å; V308-Y365 WeakPolarHBondContact CA-O 3.34Å; V308-R366 HydrophobicContact CG2-CB 4.12Å
309	S	95.5	Very high	90.1	Very high	14 Å²	14	61.6 Å²	61.6	10%	0.098	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	149.5	-174.9	49	0	0	0	0	109.9	Q305 H311 C364 Y365	Q305-S309 PolarHBondContact NE2-OG 3.01Å; S309-H311 WeakPolarHBondContact CB-NE2 3.47Å; S309-H311 PolarHBondContact O-CD2 2.96Å; S309-H311 PolarHBondContact OG-NE2 3.4Å; S309-C364 CarbonylContact O-C 3.47Å; S309-C364 VanDerWaalsContact O-CA 3.24Å; S309-C364 WeakPolarHBondContact O-CA 3.44Å; S309-Y365 PolarHBondContact N-O 3.38Å; S309-Y365 PolarHBondContact O-N 1.93Å; S309-Y365 PolarHBondContact OG-O 3.13Å; S309-Y365 VanDerWaalsContact OG-O 3.14Å
310	S	96.8	Very high	88.2	Confident	70 Å²	70	65.9 Å²	65.9	49%	0.49	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	131.3	-179.5	177	0	0	0	0	110.1	N362	S310-N362 PolarHBondContact OG-ND2 3.5Å
311	H	96.7	Very high	85.7	Confident	27 Å²	27	71.3 Å²	71.3	13%	0.125	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142.8	-175.4	-62.1	-90.3	0	0	0	110.1	D303 S309 N362 I363 Y365	D303-H311 VanDerWaalsContact CA-CE1 3.44Å; D303-H311 WeakPolarHBondContact CA-CE1 3.15Å; D303-H311 WeakPolarHBondContact CB-CE1 3.32Å; D303-H311 IonicContact OD1-CE1 3.7Å; D303-H311 PolarHBondContact OD1-CE1 3.3Å; D303-H311 IonicContact OD1-ND1 3.2Å; S309-H311 WeakPolarHBondContact CB-NE2 3.47Å; S309-H311 PolarHBondContact O-CD2 2.96Å; S309-H311 PolarHBondContact OG-NE2 3.4Å; H311-N362 CarbonylContact O-C 3.59Å; H311-N362 WeakPolarHBondContact O-CA 3.47Å; H311-N362 WeakPolarHBondContact O-CB 3.29Å; H311-I363 HydrophobicContact CB-CG2 4.15Å; H311-I363 PolarHBondContact N-O 2.99Å; H311-I363 PolarHBondContact O-N 3.14Å; H311-Y365 HydrophobicContact CB-CE1 3.88Å; H311-Y365 AromaticContact CD2-CD1 3.78Å; H311-Y365 AromaticContact CD2-CE1 3.21Å; H311-Y365 WeakPolarHBondContact CD2-CE1 3.49Å; H311-Y365 AromaticContact CD2-CE2 3.82Å; H311-Y365 AromaticContact CD2-CZ 3.22Å; H311-Y365 PolarHBondContact CD2-OH 2.91Å; H311-Y365 AromaticContact CG-CE1 3.54Å; H311-Y365 AromaticContact CG-CZ 3.55Å; H311-Y365 VanDerWaalsContact CG-OH 3.32Å; H311-Y365 AromaticContact ND1-CZ 3.89Å; H311-Y365 PolarHBondContact ND1-OH 3.16Å; H311-Y365 AromaticContact NE2-CD2 3.94Å; H311-Y365 AromaticContact NE2-CE2 3.52Å; H311-Y365 AromaticContact NE2-CZ 3.69Å
312	T	95.3	Very high	83.2	Confident	110 Å²	110	70.4 Å²	70.4	68%	0.675	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	144.8	177.9	-44.7	0	0	0	0	110.9
313	L	94.1	Very high	80.8	Confident	3 Å²	3	68.3 Å²	68.3	2%	0.016	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-96.2	131.8	170	-71.8	166.9	0	0	0	111.5	I242 R296 C297 M315 L359 G361 I363	I242-L313 HydrophobicContact CD1-CD1 3.67Å; I242-L313 HydrophobicContact CD1-CD2 3.61Å; I242-L313 HydrophobicContact CD1-CG 4.32Å; R296-L313 CarbonylContact O-C 3.59Å; R296-L313 WeakPolarHBondContact O-CA 3.48Å; C297-L313 HydrophobicContact CB-CD2 4.04Å; L313-M315 HydrophobicContact CB-CE 4.43Å; L313-M315 HydrophobicContact CB-CG 3.99Å; L313-M315 HydrophobicContact CB-SD 4.3Å; L313-L359 HydrophobicContact CD1-CD1 4.19Å; L313-G361 PolarHBondContact N-O 3.24Å; L313-I363 HydrophobicContact CD1-CB 4.23Å; L313-I363 HydrophobicContact CD2-CB 3.94Å; L313-I363 HydrophobicContact CD2-CG2 3.73Å; L313-I363 HydrophobicContact CG-CB 4.08Å; L313-I363 HydrophobicContact CG-CG2 4.08Å
314	E	93.2	Very high	77.8	Confident	44 Å²	44	73 Å²	73	21%	0.206	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-63.3	129.8	157.2	-64.1	169.1	-155.1	0	0	108.1	G295 R296 Q318 L319 S322	G295-E314 CarbonylContact C-O 3.5Å; G295-E314 VanDerWaalsContact CA-O 3.31Å; G295-E314 WeakPolarHBondContact CA-O 3.41Å; R296-E314 HydrophobicContact CB-CB 4.19Å; R296-E314 IonicContact CZ-OE2 3.79Å; R296-E314 PolarHBondContact N-O 2.66Å; R296-E314 IonicContact NH1-OE1 2.83Å; R296-E314 PolarHBondContact NH1-OE1 3.45Å; R296-E314 IonicContact NH1-OE2 2.75Å; R296-E314 PolarHBondContact NH1-OE2 3.35Å; R296-E314 WeakPolarHBondContact O-CB 3.43Å; R296-E314 PolarHBondContact O-N 3.47Å; E314-Q318 HydrophobicContact CB-CB 4.26Å; E314-L319 HydrophobicContact CB-CD2 4.18Å; E314-L319 WeakPolarHBondContact O-CD2 3.2Å; E314-S322 WeakPolarHBondContact OE2-CB 3.44Å; E314-S322 PolarHBondContact OE2-OG 2.94Å
315	M	86.9	Confident	74.6	Confident	68 Å²	68	76.4 Å²	76.4	34%	0.335	40%	0.402	S	S	.	.			trans	-144.5	158.9	-176.9	-66.2	175.2	-72.9	0	0	111.6	L313 N317 Q318 L359	L313-M315 HydrophobicContact CB-CE 4.43Å; L313-M315 HydrophobicContact CB-CG 3.99Å; L313-M315 HydrophobicContact CB-SD 4.3Å; M315-N317 PolarHBondContact O-N 2.79Å; M315-Q318 WeakPolarHBondContact O-CB 3.49Å; M315-Q318 PolarHBondContact O-N 2.91Å; M315-L359 HydrophobicContact SD-CB 4.29Å; M315-L359 HydrophobicContact SD-CD1 4.23Å
316	G	78.8	Confident	72	Confident	35 Å²	35	79.8 Å²	79.8	36%	0.361	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	-133.2	179	0	0	0	0	0	112.1	Q318 L319	G316-Q318 PolarHBondContact O-N 2.76Å; G316-L319 VanDerWaalsContact O-CB 3.31Å; G316-L319 WeakPolarHBondContact O-CB 3.32Å; G316-L319 WeakPolarHBondContact O-CG 3.33Å; G316-L319 PolarHBondContact O-N 2.82Å
317	N	68.8	Low	69.3	Low	130 Å²	130	83.8 Å²	83.8	70%	0.695	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-23.9	-176	-60.5	16.4	0	0	0	114.3	M315 L319 V320 Y321	M315-N317 PolarHBondContact O-N 2.79Å; N317-L319 VanDerWaalsContact C-N 3.25Å; N317-L319 PolarHBondContact O-N 3.1Å; N317-V320 PolarHBondContact O-N 2.85Å; N317-Y321 VanDerWaalsContact O-CD2 3.29Å; N317-Y321 WeakPolarHBondContact O-CD2 3.44Å
318	Q	70.9	Confident	66.3	Low	114 Å²	114	82.2 Å²	82.2	53%	0.533	44%	0.442	S	S	.	.	H	α-helix	trans	-63.2	-32.6	177.2	-61.5	179.8	-1.9	0	0	112.2	E314 M315 G316 V320 Y321 S322	E314-Q318 HydrophobicContact CB-CB 4.26Å; M315-Q318 WeakPolarHBondContact O-CB 3.49Å; M315-Q318 PolarHBondContact O-N 2.91Å; G316-Q318 PolarHBondContact O-N 2.76Å; Q318-V320 PolarHBondContact O-N 3.46Å; Q318-Y321 PolarHBondContact O-N 2.88Å; Q318-S322 PolarHBondContact O-N 3.48Å
319	L	76.7	Confident	63	Low	19 Å²	19	84.5 Å²	84.5	10%	0.099	46%	0.462	C	S	.	.	H	α-helix	trans	-64.7	-24.9	179.9	-61.8	169.7	0	0	0	113.1	L293 R296 E314 G316 N317	L293-L319 HydrophobicContact CD2-CD2 4.42Å; L293-L319 HydrophobicContact CG-CD1 4.4Å; L293-L319 HydrophobicContact CG-CD2 4.33Å; L293-L319 WeakPolarHBondContact O-CD1 3.38Å; R296-L319 HydrophobicContact CB-CD2 3.47Å; R296-L319 VanDerWaalsContact CB-CD2 3.47Å; E314-L319 HydrophobicContact CB-CD2 4.18Å; E314-L319 WeakPolarHBondContact O-CD2 3.2Å; G316-L319 VanDerWaalsContact O-CB 3.31Å; G316-L319 WeakPolarHBondContact O-CB 3.32Å; G316-L319 WeakPolarHBondContact O-CG 3.33Å; G316-L319 PolarHBondContact O-N 2.82Å; N317-L319 VanDerWaalsContact C-N 3.25Å; N317-L319 PolarHBondContact O-N 3.1Å
320	V	57.1	Low	59.7	Low	90 Å²	90	91.5 Å²	91.5	55%	0.545	50%	0.497	S	S	.	.	H	α-helix	trans	-72.7	-53.5	179.2	-174.3	0	0	0	0	110	N317 Q318 S322 R323	N317-V320 PolarHBondContact O-N 2.85Å; Q318-V320 PolarHBondContact O-N 3.46Å; V320-S322 PolarHBondContact O-N 2.96Å; V320-R323 PolarHBondContact O-N 2.93Å
321	Y	44.5	Very low	56.5	Low	159 Å²	159	93.2 Å²	93.2	62%	0.624	51%	0.509	S	S	*	.	H	α-helix	trans	-61.7	-40.5	-177.1	-63	-69.7	0	0	0	112.8	N317 Q318 R323 E324 C325	N317-Y321 VanDerWaalsContact O-CD2 3.29Å; N317-Y321 WeakPolarHBondContact O-CD2 3.44Å; Q318-Y321 PolarHBondContact O-N 2.88Å; Y321-R323 PolarHBondContact O-N 3.34Å; Y321-E324 PolarHBondContact O-N 3.23Å; Y321-E324 VanDerWaalsContact O-N 3.15Å; Y321-C325 PolarHBondContact O-N 3.21Å; Y321-C325 PolarHBondContact O-SG 2.89Å; Y321-C325 VanDerWaalsContact O-SG 3.4Å
322	S	42.6	Very low	53.1	Low	36 Å²	36	98.2 Å²	98.2	25%	0.252	54%	0.541	S	S	.	.	H	α-helix	trans	-59.1	-19.6	179.1	-72.8	0	0	0	0	114.5	R296 E314 Q318 V320	R296-S322 PolarHBondContact NH1-OG 2.97Å; E314-S322 WeakPolarHBondContact OE2-CB 3.44Å; E314-S322 PolarHBondContact OE2-OG 2.94Å; Q318-S322 PolarHBondContact O-N 3.48Å; V320-S322 PolarHBondContact O-N 2.96Å
323	R	44.1	Very low	50	Low	145 Å²	145	98.3 Å²	98.3	55%	0.547	55%	0.547	S	S	.	.	H	α-helix	trans	-88.5	-23.5	179.9	-171.4	166.8	-75.7	176.8	-3.7	113.7	V320 Y321	V320-R323 PolarHBondContact O-N 2.93Å; Y321-R323 PolarHBondContact O-N 3.34Å
324	E	31.9	Very low	46.8	Very low	129 Å²	129	105.7 Å²	105.7	60%	0.603	59%	0.586	S	S	*	*	H	α-helix	trans	-90.1	-39.3	-176.6	-61.7	-168.6	141	0	0	112.5	Y321 K326 N327	Y321-E324 PolarHBondContact O-N 3.23Å; Y321-E324 VanDerWaalsContact O-N 3.15Å; E324-K326 PolarHBondContact O-N 2.83Å; E324-N327 PolarHBondContact O-N 3.01Å; E324-N327 VanDerWaalsContact O-N 3.08Å
325	C	27.7	Very low	43.7	Very low	103 Å²	103	108.7 Å²	108.7	70%	0.696	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-5.7	-172.5	-64.7	0	0	0	0	116.4	Y321	Y321-C325 PolarHBondContact O-N 3.21Å; Y321-C325 PolarHBondContact O-SG 2.89Å; Y321-C325 VanDerWaalsContact O-SG 3.4Å
326	K	36.5	Very low	40.8	Very low	122 Å²	122	110.7 Å²	110.7	53%	0.53	63%	0.628	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.6	-0.3	177.3	-63.6	-161.7	172.2	-156.4	0	115	E237 E324	E237-K326 IonicContact OE1-NZ 2.71Å; E237-K326 PolarHBondContact OE1-NZ 2.96Å; E237-K326 IonicContact OE2-NZ 3.19Å; E237-K326 PolarHBondContact OE2-NZ 2.99Å; E324-K326 PolarHBondContact O-N 2.83Å
327	N	32	Very low	38.3	Very low	140 Å²	140	115.6 Å²	115.6	75%	0.749	65%	0.651	S	S	*	*	S	Bend	trans	-105.9	-0.3	-175.6	-68.3	-46	0	0	0	115.1	E324	E324-N327 PolarHBondContact O-N 3.01Å; E324-N327 VanDerWaalsContact O-N 3.08Å
328	S	27.3	Very low	36.5	Very low	92 Å²	92	117.1 Å²	117.1	64%	0.643	66%	0.658	S	S	*	*			trans	-141.2	60.5	-170	65.3	0	0	0	0	115.1	L330	S328-L330 VanDerWaalsContact C-N 3.27Å; S328-L330 PolarHBondContact O-N 3.07Å
329	S	25.9	Very low	34.4	Very low	125 Å²	125	120.1 Å²	120.1	87%	0.874	67%	0.671	S	S	*	*			trans	-84.8	55.3	170.6	50.3	0	0	0	0	112.8
330	L	26.3	Very low	31.9	Very low	160 Å²	160	131 Å²	131	84%	0.838	71%	0.711	S	S	*	*			trans	-154.4	143.1	175.6	-113.2	156.6	0	0	0	113.9	S328	S328-L330 VanDerWaalsContact C-N 3.27Å; S328-L330 PolarHBondContact O-N 3.07Å
331	S	28.3	Very low	30.4	Very low	107 Å²	107	134.4 Å²	134.4	75%	0.748	73%	0.726	S	S	*	*			trans	57.1	93	177	53	0	0	0	0	118
332	V	26.7	Very low	29.8	Very low	132 Å²	132	132.4 Å²	132.4	80%	0.8	74%	0.735	S	S	*	*			trans	-60.1	136.1	139.3	171.4	0	0	0	0	109.1
333	S	29.2	Very low	29	Very low	112 Å²	112	137.9 Å²	137.9	78%	0.783	76%	0.761	S	S	*	*			trans	-163.4	129.3	151.3	-80.2	0	0	0	0	109.9
334	N	26.9	Very low	28.1	Very low	158 Å²	158	141 Å²	141	85%	0.845	78%	0.779	S	S	*	*			trans	-78	139.2	176.5	-63.4	-30.2	0	0	0	110.5
335	S	27.7	Very low	28	Very low	107 Å²	107	141.5 Å²	141.5	75%	0.748	79%	0.786	S	S	*	*			trans	-164.5	121.2	145.2	-114.5	0	0	0	0	113.4
336	T	26.8	Very low	28	Very low	110 Å²	110	142.5 Å²	142.5	68%	0.675	78%	0.784	S	S	*	*			trans	40	101.3	144.1	59.7	0	0	0	0	120.1
337	T	27.2	Very low	27.4	Very low	138 Å²	138	145.1 Å²	145.1	85%	0.847	80%	0.798	S	S	*	*				25.8	99.7	125	53.2	0	0	0	0	118.4
338	I	30.7	Very low	27.2	Very low	162 Å²	162	143.8 Å²	143.8	83%	0.831	80%	0.8	S	S	*	*			trans	-126.3	144.8	150.6	-63	-176.6	0	0	0	108.4
339	H	27	Very low	27.1	Very low	177 Å²	177	145.9 Å²	145.9	82%	0.819	80%	0.804	S	S	*	*			trans	-57.5	133.3	-164.5	-67.2	-103.3	0	0	0	114.9	N341	H339-N341 PolarHBondContact O-N 3.32Å
340	R	24.6	Very low	27.3	Very low	246 Å²	246	148.7 Å²	148.7	93%	0.928	80%	0.803	S	S	*	*			trans	-76.3	109.4	154	-74.3	-179.7	173.6	139.3	-2.4	108.4
341	N	25.4	Very low	27.5	Very low	162 Å²	162	146.2 Å²	146.2	87%	0.866	80%	0.795	S	S	*	*			trans	-161.4	96.1	157.3	-103	-12	0	0	0	109.9	H339	H339-N341 PolarHBondContact O-N 3.32Å
342	S	31	Very low	28.3	Very low	117 Å²	117	146.2 Å²	146.2	82%	0.818	80%	0.795	S	S	*	*			trans	-157.9	84.1	164.9	-170.8	0	0	0	0	104.4
343	L	26.3	Very low	29.5	Very low	152 Å²	152	148.9 Å²	148.9	80%	0.796	80%	0.799	S	S	*	*				65.9	102.2	82.2	-164.4	77.3	0	0	0	110.5
344	F	25.8	Very low	31.2	Very low	209 Å²	209	148.4 Å²	148.4	92%	0.917	79%	0.787	S	S	*	*			trans	-62.2	133.5	167.8	-65.6	-95.6	0	0	0	109.1
345	N	28.6	Very low	33.4	Very low	141 Å²	141	141.2 Å²	141.2	75%	0.754	75%	0.749	S	S	*	*			trans	-145.6	110.8	164.4	-166.1	66.7	0	0	0	108.8	Q347	N345-Q347 PolarHBondContact O-N 3.25Å
346	D	26.9	Very low	36	Very low	123 Å²	123	141.4 Å²	141.4	66%	0.658	74%	0.741	S	S	*	*			trans	-62.7	130.2	175.5	-75.4	-67	0	0	0	111
347	Q	25.8	Very low	38.9	Very low	177 Å²	177	136.6 Å²	136.6	83%	0.827	71%	0.711	S	S	*	*			trans	167.9	72.4	141.9	-92.1	154.2	93.5	0	0	112	N345	N345-Q347 PolarHBondContact O-N 3.25Å
348	S	26.6	Very low	41.8	Very low	112 Å²	112	131.3 Å²	131.3	78%	0.783	68%	0.679	S	S	*	*			trans	170.3	70.7	148.7	40.8	0	0	0	0	111.7	E350	S348-E350 PolarHBondContact O-N 3.26Å
349	N	25.6	Very low	44.7	Very low	136 Å²	136	124.5 Å²	124.5	73%	0.727	65%	0.645	S	S	*	*			trans	-77.7	66.9	172.1	-75.7	-19.2	0	0	0	111.6	T351	N349-T351 PolarHBondContact O-N 2.78Å
350	E	29.4	Very low	47.8	Very low	184 Å²	184	121.7 Å²	121.7	86%	0.86	63%	0.63	S	S	*	*			trans	-83.9	60.2	154.1	-72.1	-166.5	174.4	0	0	109.2	S348 S352	S348-E350 PolarHBondContact O-N 3.26Å; E350-S352 PolarHBondContact O-N 2.82Å
351	T	31.1	Very low	51	Low	109 Å²	109	110.3 Å²	110.3	67%	0.669	59%	0.59	S	S	*	*			trans	-69.8	98.1	162.3	47.8	0	0	0	0	107.4	N349 E353	N349-T351 PolarHBondContact O-N 2.78Å; T351-E353 PolarHBondContact O-N 3.35Å; T351-E353 VanDerWaalsContact O-N 3.09Å
352	S	44.2	Very low	54.3	Low	107 Å²	107	104.8 Å²	104.8	75%	0.748	56%	0.56	S	S	*	*			trans	-46.5	119.7	174.2	-54	0	0	0	0	109.9	E350 I354	E350-S352 PolarHBondContact O-N 2.82Å; S352-I354 VanDerWaalsContact C-N 3.33Å; S352-I354 PolarHBondContact O-N 3.35Å
353	E	51.8	Low	57.4	Low	188 Å²	188	99.2 Å²	99.2	88%	0.879	52%	0.521	S	S	*	.			trans	-69.1	88.3	-175.9	-66	-175	136.4	0	0	110.1	T351 C355	T351-E353 PolarHBondContact O-N 3.35Å; T351-E353 VanDerWaalsContact O-N 3.09Å; E353-C355 PolarHBondContact O-N 3.46Å
354	I	65.3	Low	60.7	Low	102 Å²	102	93.1 Å²	93.1	52%	0.523	49%	0.491	S	S	.	.			trans	-55.9	121.7	176.7	-64.8	173.9	0	0	0	108.6	I294 S352 D356	I294-I354 HydrophobicContact CG2-CG2 4.26Å; S352-I354 VanDerWaalsContact C-N 3.33Å; S352-I354 PolarHBondContact O-N 3.35Å; I354-D356 PolarHBondContact O-N 2.92Å; I354-D356 VanDerWaalsContact O-N 3.16Å
355	C	73	Confident	64.1	Low	7 Å²	7	83.1 Å²	83.1	5%	0.047	45%	0.447	C	S	.	.			trans	-36.2	114	180	171.5	0	0	0	0	113.6	P246 D292 I294 E353 L357	P246-C355 HydrophobicContact CB-CB 4.17Å; D292-C355 HydrophobicContact CB-CB 4.07Å; D292-C355 WeakPolarHBondContact OD2-CB 3.5Å; D292-C355 PolarHBondContact OD2-N 3.25Å; I294-C355 HydrophobicContact CG2-CB 3.9Å; E353-C355 PolarHBondContact O-N 3.46Å; C355-L357 PolarHBondContact O-N 3.1Å
356	D	82.2	Confident	67.3	Low	111 Å²	111	79.2 Å²	79.2	59%	0.594	42%	0.422	S	S	*	.			trans	-78.4	20.3	-167.6	65.6	-48.3	0	0	0	115.2	Y193 I354 P358	Y193-D356 WeakPolarHBondContact CE1-OD1 3.28Å; Y193-D356 PolarHBondContact OH-OD1 3.01Å; Y193-D356 VanDerWaalsContact OH-OD1 3.07Å; Y193-D356 PolarHBondContact OH-OD2 3.31Å; I354-D356 PolarHBondContact O-N 2.92Å; I354-D356 VanDerWaalsContact O-N 3.16Å; D356-P358 VanDerWaalsContact O-CD 3.29Å; D356-P358 WeakPolarHBondContact O-CD 3.2Å; D356-P358 VanDerWaalsContact O-N 3.12Å
357	L	88.1	Confident	70.6	Confident	8 Å²	8	73.4 Å²	73.4	4%	0.042	39%	0.39	C	S	.	.			trans	-58.2	113.1	-179.7	-150.7	-22.6	0	0	0	109.3	L141 W143 Y193 L195 I221 A244 I294 C355 L359	L141-L357 HydrophobicContact CD1-CD1 4Å; L141-L357 HydrophobicContact CD2-CD1 4.09Å; W143-L357 HydrophobicContact CH2-CD1 4.15Å; W143-L357 HydrophobicContact CZ2-CD1 4.44Å; Y193-L357 HydrophobicContact CD1-CB 3.89Å; Y193-L357 HydrophobicContact CD1-CG 3.84Å; Y193-L357 HydrophobicContact CD2-CD1 4.07Å; Y193-L357 HydrophobicContact CD2-CG 4.21Å; Y193-L357 HydrophobicContact CE1-CB 4.08Å; Y193-L357 HydrophobicContact CE1-CG 4.39Å; Y193-L357 HydrophobicContact CE2-CD1 4.48Å; Y193-L357 HydrophobicContact CG-CB 4.31Å; Y193-L357 HydrophobicContact CG-CD1 4.11Å; Y193-L357 HydrophobicContact CG-CG 3.74Å; L195-L357 HydrophobicContact CB-CD2 4.46Å; L195-L357 HydrophobicContact CD1-CD2 3.42Å; L195-L357 VanDerWaalsContact CD1-CD2 3.42Å; I221-L357 HydrophobicContact CD1-CD2 4.45Å; A244-L357 HydrophobicContact CB-CD2 4.2Å; I294-L357 HydrophobicContact CD1-CB 4.03Å; I294-L357 HydrophobicContact CD1-CD2 3.79Å; C355-L357 PolarHBondContact O-N 3.1Å; L357-L359 HydrophobicContact CD2-CD2 4.49Å; L357-L359 PolarHBondContact O-N 3.28Å
358	P	88.8	Confident	73.8	Confident	27 Å²	27	65.5 Å²	65.5	18%	0.175	35%	0.354	C	S	.	.			trans	-80.1	83.9	-164.6	30.3	-36	0	0	0	112.1	L141 I142 W143 D356	L141-P358 CarbonylContact C-O 3.56Å; L141-P358 VanDerWaalsContact CA-O 3.27Å; L141-P358 WeakPolarHBondContact CA-O 3.5Å; I142-P358 PolarHBondContact N-O 2.74Å; I142-P358 WeakPolarHBondContact O-CB 3.33Å; W143-P358 HydrophobicContact CD2-CG 3.87Å; W143-P358 HydrophobicContact CE3-CG 3.52Å; W143-P358 HydrophobicContact CH2-CG 4.1Å; W143-P358 HydrophobicContact CZ2-CG 4.4Å; W143-P358 HydrophobicContact CZ3-CG 3.65Å; D356-P358 VanDerWaalsContact O-CD 3.29Å; D356-P358 WeakPolarHBondContact O-CD 3.2Å; D356-P358 VanDerWaalsContact O-N 3.12Å
359	L	91.5	Very high	77	Confident	20 Å²	20	60.2 Å²	60.2	11%	0.105	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-60.9	140	171.4	-57	-176.4	0	0	0	110.9	I139 L141 I294 L313 M315 L357 G361	I139-L359 HydrophobicContact CG2-CD2 3.71Å; L141-L359 HydrophobicContact CD2-CD2 3.84Å; I294-L359 HydrophobicContact CD1-CD1 3.92Å; I294-L359 HydrophobicContact CD1-CD2 3.92Å; I294-L359 HydrophobicContact CD1-CG 4.03Å; I294-L359 HydrophobicContact CG1-CD1 4.17Å; L313-L359 HydrophobicContact CD1-CD1 4.19Å; M315-L359 HydrophobicContact SD-CB 4.29Å; M315-L359 HydrophobicContact SD-CD1 4.23Å; L357-L359 HydrophobicContact CD2-CD2 4.49Å; L357-L359 PolarHBondContact O-N 3.28Å; L359-G361 PolarHBondContact O-N 2.86Å
360	F	91.5	Very high	80.2	Confident	117 Å²	117	54.2 Å²	54.2	51%	0.513	28%	0.284	S	S	.	.			trans	-66.1	-22.3	170.8	-174.3	-89.2	0	0	0	112.6	P140 I142 N362	P140-F360 HydrophobicContact CB-CB 3.85Å; P140-F360 HydrophobicContact CB-CG 4.31Å; P140-F360 VanDerWaalsContact O-CB 3.25Å; P140-F360 WeakPolarHBondContact O-CB 3.43Å; P140-F360 PolarHBondContact O-N 3.05Å; I142-F360 HydrophobicContact CB-CD2 4.21Å; I142-F360 HydrophobicContact CD1-CD2 4.19Å; I142-F360 HydrophobicContact CD1-CE2 4.36Å; F360-N362 HydrophobicContact CD1-CB 4.43Å
361	G	91.2	Very high	83.3	Confident	8 Å²	8	45.4 Å²	45.4	8%	0.082	24%	0.243	C	C	.	.	S	Bend	trans	103	-1.7	179.3	0	0	0	0	0	115.3	L313 L359	L313-G361 PolarHBondContact N-O 3.24Å; L359-G361 PolarHBondContact O-N 2.86Å
362	N	94.6	Very high	86.1	Confident	46 Å²	46	41.8 Å²	41.8	25%	0.246	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	158.5	171.9	-68.5	-5.2	0	0	0	111	P140 S310 H311 F360	P140-N362 WeakPolarHBondContact CD-O 3.47Å; S310-N362 PolarHBondContact OG-ND2 3.5Å; H311-N362 CarbonylContact O-C 3.59Å; H311-N362 WeakPolarHBondContact O-CA 3.47Å; H311-N362 WeakPolarHBondContact O-CB 3.29Å; F360-N362 HydrophobicContact CD1-CB 4.43Å
363	I	96.3	Very high	88.3	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	136.6	163.3	-172.7	171.8	0	0	0	108.7	I137 I139 I240 I242 C297 H311 L313 Y365	I137-I363 HydrophobicContact CG2-CD1 3.81Å; I137-I363 HydrophobicContact CG2-CG1 4.11Å; I139-I363 HydrophobicContact CG1-CD1 4.17Å; I139-I363 HydrophobicContact CG1-CG1 4.04Å; I240-I363 HydrophobicContact CD1-CD1 4.42Å; I240-I363 HydrophobicContact CG2-CD1 3.99Å; I242-I363 HydrophobicContact CD1-CD1 4.41Å; C297-I363 HydrophobicContact CB-CG2 3.93Å; H311-I363 HydrophobicContact CB-CG2 4.15Å; H311-I363 PolarHBondContact N-O 2.99Å; H311-I363 PolarHBondContact O-N 3.14Å; L313-I363 HydrophobicContact CD1-CB 4.23Å; L313-I363 HydrophobicContact CD2-CB 3.94Å; L313-I363 HydrophobicContact CD2-CG2 3.73Å; L313-I363 HydrophobicContact CG-CB 4.08Å; L313-I363 HydrophobicContact CG-CG2 4.08Å; I363-Y365 HydrophobicContact CG1-CD1 4.36Å; I363-Y365 HydrophobicContact CG2-CD1 4.14Å; I363-Y365 HydrophobicContact CG2-CE1 4.05Å
364	C	97.1	Very high	90.1	Very high	23 Å²	23	28.8 Å²	28.8	16%	0.155	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	136.2	173.8	-69.1	0	0	0	0	109.5	I137 R138 V308 S309	I137-C364 CarbonylContact C-O 3.52Å; I137-C364 WeakPolarHBondContact CA-O 3.08Å; R138-C364 HydrophobicContact CB-CB 4.1Å; R138-C364 PolarHBondContact N-O 3.02Å; R138-C364 PolarHBondContact O-N 3.03Å; V308-C364 HydrophobicContact CG1-CB 4.13Å; S309-C364 CarbonylContact O-C 3.47Å; S309-C364 VanDerWaalsContact O-CA 3.24Å; S309-C364 WeakPolarHBondContact O-CA 3.44Å
365	Y	96.9	Very high	91	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	166.8	171.9	58.4	-97.3	0	0	0	111.5	L134 I240 A299 V308 S309 H311 I363 L367	L134-Y365 HydrophobicContact CD1-CD2 3.5Å; L134-Y365 VanDerWaalsContact CD1-CD2 3.5Å; L134-Y365 HydrophobicContact CD1-CE2 4.26Å; L134-Y365 HydrophobicContact CD1-CG 3.76Å; I240-Y365 HydrophobicContact CD1-CD1 3.96Å; I240-Y365 HydrophobicContact CD1-CE1 4.02Å; I240-Y365 HydrophobicContact CD1-CG 4.45Å; A299-Y365 HydrophobicContact CB-CE2 4.09Å; A299-Y365 WeakPolarHBondContact CB-OH 2.97Å; V308-Y365 WeakPolarHBondContact CA-O 3.34Å; S309-Y365 PolarHBondContact N-O 3.38Å; S309-Y365 PolarHBondContact O-N 1.93Å; S309-Y365 PolarHBondContact OG-O 3.13Å; S309-Y365 VanDerWaalsContact OG-O 3.14Å; H311-Y365 HydrophobicContact CB-CE1 3.88Å; H311-Y365 AromaticContact CD2-CD1 3.78Å; H311-Y365 AromaticContact CD2-CE1 3.21Å; H311-Y365 WeakPolarHBondContact CD2-CE1 3.49Å; H311-Y365 AromaticContact CD2-CE2 3.82Å; H311-Y365 AromaticContact CD2-CZ 3.22Å; H311-Y365 PolarHBondContact CD2-OH 2.91Å; H311-Y365 AromaticContact CG-CE1 3.54Å; H311-Y365 AromaticContact CG-CZ 3.55Å; H311-Y365 VanDerWaalsContact CG-OH 3.32Å; H311-Y365 AromaticContact ND1-CZ 3.89Å; H311-Y365 PolarHBondContact ND1-OH 3.16Å; H311-Y365 AromaticContact NE2-CD2 3.94Å; H311-Y365 AromaticContact NE2-CE2 3.52Å; H311-Y365 AromaticContact NE2-CZ 3.69Å; I363-Y365 HydrophobicContact CG1-CD1 4.36Å; I363-Y365 HydrophobicContact CG2-CD1 4.14Å; I363-Y365 HydrophobicContact CG2-CE1 4.05Å; Y365-L367 HydrophobicContact CD2-CB 3.99Å; Y365-L367 HydrophobicContact CE2-CB 3.87Å; Y365-L367 HydrophobicContact CE2-CD2 4.47Å
366	R	95.6	Very high	91.7	Very high	59 Å²	59	31.6 Å²	31.6	22%	0.223	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	128.7	165.2	174.6	165.1	52.9	170.2	-11.8	109.3	S135 D136 K307 V308 I368	S135-R366 PolarHBondContact N-O 2.94Å; S135-R366 PolarHBondContact O-N 2.85Å; D136-R366 IonicContact OD1-NH2 3.69Å; D136-R366 PolarHBondContact OD1-NH2 2.71Å; D136-R366 WeakPolarHBondContact OD2-CB 3.35Å; D136-R366 IonicContact OD2-CZ 3.62Å; D136-R366 IonicContact OD2-NE 2.82Å; D136-R366 PolarHBondContact OD2-NE 2.59Å; D136-R366 IonicContact OD2-NH2 2.65Å; D136-R366 PolarHBondContact OD2-NH2 3.36Å; K307-R366 WeakPolarHBondContact O-CB 3.46Å; K307-R366 WeakPolarHBondContact O-CG 3.3Å; V308-R366 HydrophobicContact CG2-CB 4.12Å; R366-I368 HydrophobicContact CG-CD1 4.08Å; R366-I368 HydrophobicContact CG-CG1 3.78Å
367	L	95.6	Very high	92.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	120	177.8	-176.2	68.6	0	0	0	108.9	L132 C133 L134 F236 A299 D303 V304 Q305 Y365	L132-L367 HydrophobicContact CD1-CD1 3.78Å; L132-L367 HydrophobicContact CD1-CG 4.06Å; L132-L367 HydrophobicContact CD2-CD1 4.13Å; L132-L367 HydrophobicContact CG-CD1 3.88Å; C133-L367 WeakPolarHBondContact O-CA 3.32Å; L134-L367 HydrophobicContact CB-CD1 4.14Å; L134-L367 HydrophobicContact CD1-CD1 4.15Å; F236-L367 HydrophobicContact CE2-CD2 4.05Å; F236-L367 HydrophobicContact CZ-CD2 4.01Å; A299-L367 HydrophobicContact CB-CD2 3.69Å; D303-L367 HydrophobicContact CB-CD2 4.4Å; V304-L367 CarbonylContact C-O 3.6Å; V304-L367 WeakPolarHBondContact CA-O 3.32Å; V304-L367 HydrophobicContact CG2-CD2 4.09Å; V304-L367 HydrophobicContact CG2-CG 4.31Å; Q305-L367 PolarHBondContact N-O 3.15Å; Q305-L367 VanDerWaalsContact O-O 3.06Å; Y365-L367 HydrophobicContact CD2-CB 3.99Å; Y365-L367 HydrophobicContact CE2-CB 3.87Å; Y365-L367 HydrophobicContact CE2-CD2 4.47Å
368	I	94.4	Very high	92.2	Very high	12 Å²	12	27.5 Å²	27.5	6%	0.062	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	133.5	-177.9	-40.1	173.6	0	0	0	108.9	L132 C133 N306 R366 I886	L132-I368 CarbonylContact C-O 3.57Å; C133-I368 PolarHBondContact N-O 2.75Å; C133-I368 PolarHBondContact O-N 3.01Å; N306-I368 WeakPolarHBondContact OD1-CD1 3.38Å; R366-I368 HydrophobicContact CG-CD1 4.08Å; R366-I368 HydrophobicContact CG-CG1 3.78Å; I368-I886 HydrophobicContact CG2-CD1 3.91Å; I368-I886 HydrophobicContact CG2-CG1 4.18Å; I368-I886 HydrophobicContact CG2-CG2 3.59Å
369	A	93.8	Very high	92.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	146.1	167.2	0	0	0	0	0	109.6	A130 Q131 L132 V304 W877	A130-A369 HydrophobicContact CB-CB 4.43Å; Q131-A369 CarbonylContact O-C 3.53Å; Q131-A369 WeakPolarHBondContact O-CA 3.26Å; L132-A369 HydrophobicContact CD1-CB 3.95Å; V304-A369 HydrophobicContact CG1-CB 3.89Å; V304-A369 HydrophobicContact CG2-CB 4.37Å; A369-W877 HydrophobicContact CB-CE3 3.56Å; A369-W877 HydrophobicContact CB-CH2 4.17Å; A369-W877 HydrophobicContact CB-CZ3 3.29Å
370	Q	92.4	Very high	92.3	Very high	10 Å²	10	28.8 Å²	28.8	5%	0.047	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	108.6	174.4	-165.8	168.1	28.6	0	0	108.7	A130 Q131 A374 I886 I888	A130-Q370 WeakPolarHBondContact CA-O 3.15Å; A130-Q370 WeakPolarHBondContact CB-O 3.39Å; Q131-Q370 PolarHBondContact N-O 3.39Å; Q131-Q370 PolarHBondContact O-N 3.41Å; Q370-A374 HydrophobicContact CG-CB 4.2Å; Q370-I886 HydrophobicContact CB-CG2 4.01Å; Q370-I886 HydrophobicContact CG-CG2 4.09Å; Q370-I886 PolarHBondContact NE2-O 3.14Å; Q370-I886 PolarHBondContact OE1-O 3.43Å; Q370-I888 HydrophobicContact CB-CD1 3.6Å; Q370-I888 HydrophobicContact CB-CG1 4.35Å
371	P	93	Very high	92.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	142.4	176.2	-31.9	40.8	0	0	0	111.8	S373 A374 W877 A881 F882	P371-S373 WeakPolarHBondContact CB-OG 3.35Å; P371-S373 PolarHBondContact O-N 3.23Å; P371-A374 VanDerWaalsContact O-CB 3.32Å; P371-A374 WeakPolarHBondContact O-CB 3.45Å; P371-A374 PolarHBondContact O-N 3.3Å; P371-W877 HydrophobicContact CG-CB 3.81Å; P371-W877 HydrophobicContact CG-CD2 4.17Å; P371-W877 HydrophobicContact CG-CG 3.56Å; P371-A881 HydrophobicContact CG-CB 4.46Å; P371-F882 HydrophobicContact CB-CE1 4.03Å; P371-F882 HydrophobicContact CB-CE2 4.33Å; P371-F882 HydrophobicContact CB-CZ 3.7Å; P371-F882 HydrophobicContact CG-CD2 4.5Å; P371-F882 HydrophobicContact CG-CE1 4.28Å; P371-F882 HydrophobicContact CG-CE2 3.72Å; P371-F882 HydrophobicContact CG-CZ 3.6Å
372	H	90.8	Very high	92.3	Very high	33 Å²	33	24.9 Å²	24.9	15%	0.153	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-61.8	-29.7	179.2	-68.2	-45.9	0	0	0	111.6	A125 Y129 D230 D231 A374 K375 L376	A125-H372 HydrophobicContact CB-CB 3.75Å; Y129-H372 PolarHBondContact O-CD2 3.08Å; Y129-H372 PolarHBondContact O-N 3.22Å; D230-H372 IonicContact OD1-CE1 2.78Å; D231-H372 WeakPolarHBondContact CA-NE2 3.42Å; D231-H372 PolarHBondContact N-NE2 3.45Å; D231-H372 IonicContact OD1-CD2 3.2Å; D231-H372 CovalentContact OD1-NE2 1.81Å; D231-H372 IonicContact OD1-NE2 3.44Å; D231-H372 PolarHBondContact OD1-NE2 3.1Å; D231-H372 IonicContact OD2-NE2 2.67Å; H372-A374 PolarHBondContact O-N 3.26Å; H372-K375 PolarHBondContact O-N 3.26Å; H372-L376 PolarHBondContact O-N 2.89Å
373	S	90.2	Very high	92.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-60.6	-22.4	173.7	50.2	0	0	0	0	114.2	P371 K375 L376 D406 E873 F882	P371-S373 WeakPolarHBondContact CB-OG 3.35Å; P371-S373 PolarHBondContact O-N 3.23Å; S373-K375 PolarHBondContact O-N 3.03Å; S373-L376 WeakPolarHBondContact CA-O 3.44Å; S373-D406 PolarHBondContact O-N 3.01Å; S373-E873 VanDerWaalsContact CB-OE2 3.25Å; S373-E873 WeakPolarHBondContact CB-OE2 3.45Å; S373-E873 PolarHBondContact OG-OE1 3.45Å; S373-E873 PolarHBondContact OG-OE2 3.14Å; S373-F882 WeakPolarHBondContact OG-CE1 3.37Å
374	A	88.9	Confident	91.9	Very high	21 Å²	21	23.2 Å²	23.2	17%	0.174	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-75.1	-8.4	173.8	0	0	0	0	0	113.8	Q370 P371 H372 F882	Q370-A374 HydrophobicContact CG-CB 4.2Å; P371-A374 VanDerWaalsContact O-CB 3.32Å; P371-A374 WeakPolarHBondContact O-CB 3.45Å; P371-A374 PolarHBondContact O-N 3.3Å; H372-A374 PolarHBondContact O-N 3.26Å; A374-F882 HydrophobicContact CB-CD1 3.78Å; A374-F882 HydrophobicContact CB-CE1 4.22Å; A374-F882 HydrophobicContact CB-CG 4.49Å
375	K	84.4	Confident	91.7	Very high	102 Å²	102	22.3 Å²	22.3	44%	0.443	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133	-22.9	-177.5	-76.9	172.7	169.6	163	0	114.6	H372 S373	H372-K375 PolarHBondContact O-N 3.26Å; S373-K375 PolarHBondContact O-N 3.03Å
376	L	87.6	Confident	91.3	Very high	67 Å²	67	23.6 Å²	23.6	35%	0.351	12%	0.119	S	C	.	.	S	Bend	trans	-130.5	145.1	-179.3	-64	173.8	0	0	0	108.8	A125 H372 S373	A125-L376 HydrophobicContact CB-CB 4.1Å; H372-L376 PolarHBondContact O-N 2.89Å; S373-L376 WeakPolarHBondContact CA-O 3.44Å
377	P	90.4	Very high	91	Very high	20 Å²	20	24.3 Å²	24.3	13%	0.13	12%	0.123	C	C	.	.			trans	-62.6	143.8	179	26	-34.7	0	0	0	112.3	F124 A125 E403 L404	F124-P377 CarbonylContact C-O 3.58Å; F124-P377 WeakPolarHBondContact CA-O 3.32Å; F124-P377 WeakPolarHBondContact CB-O 3.39Å; F124-P377 HydrophobicContact CD1-CB 4.05Å; F124-P377 HydrophobicContact CD1-CG 3.82Å; F124-P377 WeakPolarHBondContact CD1-O 3.25Å; F124-P377 HydrophobicContact CE1-CB 4.32Å; F124-P377 HydrophobicContact CE1-CG 4.06Å; A125-P377 PolarHBondContact N-O 3.02Å; P377-E403 HydrophobicContact CB-CG 3.53Å; P377-E403 HydrophobicContact CG-CG 4.29Å; P377-L404 CarbonylContact C-O 3.53Å; P377-L404 WeakPolarHBondContact CA-O 3.15Å
378	L	90.5	Very high	90.6	Very high	13 Å²	13	24.9 Å²	24.9	7%	0.068	13%	0.126	C	C	.	.	S	Bend	trans	-80.5	-34.2	168.7	-78.4	171.7	0	0	0	111.9	A125 P127 L404 I866 H870	A125-L378 HydrophobicContact CB-CD2 3.81Å; A125-L378 HydrophobicContact CB-CG 4.33Å; P127-L378 HydrophobicContact CB-CD2 3.77Å; P127-L378 HydrophobicContact CG-CD2 4.24Å; L378-L404 HydrophobicContact CB-CD2 4.36Å; L378-L404 HydrophobicContact CD1-CD2 4.46Å; L378-L404 PolarHBondContact N-O 2.96Å; L378-I866 HydrophobicContact CB-CD1 4.29Å; L378-I866 HydrophobicContact CB-CG1 3.9Å; L378-I866 HydrophobicContact CD2-CD1 4.45Å; L378-H870 HydrophobicContact CD1-CB 3.6Å; L378-H870 VanDerWaalsContact CD1-CG 3.46Å; L378-H870 VanDerWaalsContact CD1-ND1 3.28Å; L378-H870 WeakPolarHBondContact CD1-ND1 3.46Å
379	K	91.7	Very high	90.1	Very high	37 Å²	37	26.6 Å²	26.6	16%	0.161	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	145.4	175.8	-174.2	166.1	176.2	49.4	0	109.8	L404 E859 W863 I866	K379-L404 PolarHBondContact O-N 3.21Å; K379-E859 VanDerWaalsContact CE-CD 3.44Å; K379-E859 WeakPolarHBondContact CE-OE1 3.4Å; K379-E859 VanDerWaalsContact CE-OE2 3.24Å; K379-E859 WeakPolarHBondContact CE-OE2 3.48Å; K379-E859 IonicContact NZ-OE1 3.78Å; K379-E859 PolarHBondContact NZ-OE1 2.67Å; K379-E859 IonicContact NZ-OE2 3.72Å; K379-E859 PolarHBondContact NZ-OE2 2.81Å; K379-W863 HydrophobicContact CB-CE3 4.43Å; K379-W863 HydrophobicContact CB-CH2 4.22Å; K379-W863 HydrophobicContact CB-CZ3 4.06Å; K379-W863 HydrophobicContact CD-CD2 3.78Å; K379-W863 HydrophobicContact CD-CE3 3.98Å; K379-W863 HydrophobicContact CD-CG 4.2Å; K379-W863 HydrophobicContact CD-CZ2 4.32Å; K379-W863 HydrophobicContact CD-CZ3 4.36Å; K379-W863 HydrophobicContact CG-CD2 4.28Å; K379-W863 HydrophobicContact CG-CE3 4.25Å; K379-W863 HydrophobicContact CG-CH2 3.99Å; K379-W863 HydrophobicContact CG-CZ2 3.97Å; K379-W863 HydrophobicContact CG-CZ3 4.11Å; K379-I866 HydrophobicContact CB-CG1 4.49Å; K379-I866 HydrophobicContact CB-CG2 4Å; K379-I866 HydrophobicContact CD-CG2 3.86Å
380	S	92	Very high	89.3	Confident	36 Å²	36	32 Å²	32	25%	0.252	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	159.3	161.8	63.2	0	0	0	0	110	F124 C402	F124-S380 WeakPolarHBondContact CE1-OG 3.47Å; F124-S380 WeakPolarHBondContact CZ-OG 3.28Å; S380-C402 WeakPolarHBondContact CA-O 3.31Å; S380-C402 WeakPolarHBondContact CB-O 3.32Å
381	G	91.4	Very high	88.4	Confident	15 Å²	15	33.9 Å²	33.9	16%	0.155	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.8	-161.8	-174.5	0	0	0	0	0	110.8	C402	G381-C402 PolarHBondContact N-O 2.95Å; G381-C402 VanDerWaalsContact N-O 3.14Å; G381-C402 PolarHBondContact O-N 3.29Å
382	Y	91.2	Very high	87.4	Confident	28 Å²	28	40.2 Å²	40.2	11%	0.11	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125.8	-173.7	-59.2	-72.5	0	0	0	111.8	Y400 R401 I414 T836 M838	Y382-Y400 WeakPolarHBondContact CA-O 3.48Å; Y382-R401 HydrophobicContact CD1-CB 4.07Å; Y382-R401 HydrophobicContact CD1-CG 4.27Å; Y382-R401 HydrophobicContact CE1-CB 3.8Å; Y382-R401 HydrophobicContact CE1-CG 3.73Å; Y382-I414 HydrophobicContact CD1-CD1 3.54Å; Y382-I414 HydrophobicContact CE1-CD1 3.53Å; Y382-T836 PolarHBondContact O-N 3.16Å; Y382-T836 VanDerWaalsContact O-N 3.16Å; Y382-M838 HydrophobicContact CD1-CE 4.26Å; Y382-M838 HydrophobicContact CD2-CB 3.98Å; Y382-M838 HydrophobicContact CD2-CE 4.13Å; Y382-M838 HydrophobicContact CD2-CG 3.96Å; Y382-M838 HydrophobicContact CE1-CE 3.84Å; Y382-M838 HydrophobicContact CE2-CB 3.87Å; Y382-M838 HydrophobicContact CE2-CE 3.7Å; Y382-M838 HydrophobicContact CE2-CG 4.22Å; Y382-M838 HydrophobicContact CG-CE 4.4Å
383	L	91.8	Very high	86.7	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	130	179.3	-73	167.9	0	0	0	110.2	I385 Y400 C402 L409 F833 A835 W863 M867	L383-I385 HydrophobicContact CB-CD1 4.14Å; L383-I385 HydrophobicContact CB-CG1 3.86Å; L383-Y400 PolarHBondContact N-O 2.91Å; L383-Y400 PolarHBondContact O-N 3.47Å; L383-C402 HydrophobicContact CD1-CB 3.95Å; L383-C402 HydrophobicContact CG-CB 4.45Å; L383-L409 HydrophobicContact CD1-CD2 3.94Å; L383-F833 HydrophobicContact CD1-CD1 4.21Å; L383-A835 HydrophobicContact CD2-CB 3.8Å; L383-W863 HydrophobicContact CD1-CD2 3.82Å; L383-W863 HydrophobicContact CD1-CE3 4.04Å; L383-W863 HydrophobicContact CD1-CG 4.28Å; L383-W863 HydrophobicContact CD1-CH2 4.31Å; L383-W863 HydrophobicContact CD1-CZ2 4.13Å; L383-W863 HydrophobicContact CD1-CZ3 4.27Å; L383-W863 HydrophobicContact CD2-CB 4.33Å; L383-W863 HydrophobicContact CD2-CD2 4.22Å; L383-W863 HydrophobicContact CD2-CG 3.84Å; L383-W863 HydrophobicContact CG-CD2 4.18Å; L383-W863 HydrophobicContact CG-CG 4.33Å; L383-W863 HydrophobicContact CG-CZ2 4.32Å; L383-M867 HydrophobicContact CD1-CE 3.99Å
384	W	90.8	Very high	86.1	Confident	12 Å²	12	46.3 Å²	46.3	5%	0.045	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	123.6	158.1	-67.8	91.6	0	0	0	107.9	M397 M398 L399 C791 F793 F833 T834 F853	W384-M397 HydrophobicContact CB-CB 4.16Å; W384-M397 HydrophobicContact CB-CE 4.14Å; W384-M397 HydrophobicContact CE3-CB 4.18Å; W384-M397 WeakPolarHBondContact O-CE 3.31Å; W384-M398 WeakPolarHBondContact CA-O 3.13Å; W384-L399 HydrophobicContact CD2-CB 4.09Å; W384-L399 HydrophobicContact CD2-CD1 4.16Å; W384-L399 HydrophobicContact CE3-CB 4Å; W384-L399 HydrophobicContact CG-CD1 4.3Å; W384-L399 HydrophobicContact CH2-CB 3.8Å; W384-L399 HydrophobicContact CH2-CD2 4.47Å; W384-L399 HydrophobicContact CZ2-CB 3.89Å; W384-L399 HydrophobicContact CZ2-CD1 4.27Å; W384-L399 HydrophobicContact CZ2-CD2 3.98Å; W384-L399 HydrophobicContact CZ2-CG 4.26Å; W384-L399 HydrophobicContact CZ3-CB 3.87Å; W384-C791 HydrophobicContact CH2-CB 3.72Å; W384-C791 HydrophobicContact CZ2-CB 4.37Å; W384-C791 HydrophobicContact CZ3-CB 4.31Å; W384-F793 HydrophobicContact CD2-CE2 4.08Å; W384-F793 AromaticContact CD2-CZ 4Å; W384-F793 HydrophobicContact CD2-CZ 4Å; W384-F793 AromaticContact CE2-CZ 3.62Å; W384-F793 HydrophobicContact CE3-CE2 4.31Å; W384-F793 HydrophobicContact CG-CZ 4.3Å; W384-F793 HydrophobicContact CZ2-CE2 4.38Å; W384-F793 AromaticContact CZ2-CZ 3.97Å; W384-F793 HydrophobicContact CZ2-CZ 3.97Å; W384-F793 AromaticContact NE1-CZ 3.68Å; W384-F833 WeakPolarHBondContact O-CA 3.21Å; W384-T834 PolarHBondContact N-O 3.36Å; W384-T834 PolarHBondContact O-N 3.5Å; W384-T834 VanDerWaalsContact O-N 3.08Å; W384-F853 HydrophobicContact CH2-CD2 4.45Å; W384-F853 HydrophobicContact CZ2-CB 4.09Å; W384-F853 AromaticContact CZ2-CD2 3.88Å; W384-F853 HydrophobicContact CZ2-CD2 3.88Å; W384-F853 HydrophobicContact CZ2-CE2 4.48Å; W384-F853 AromaticContact CZ2-CG 3.92Å; W384-F853 HydrophobicContact CZ2-CG 3.92Å
385	I	92	Very high	85.5	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.015	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	138.4	-176.8	-51.6	-179.8	0	0	0	109.5	L383 M397 M398 Y400 L409 C411 L528 I530 F831 E832 F833	L383-I385 HydrophobicContact CB-CD1 4.14Å; L383-I385 HydrophobicContact CB-CG1 3.86Å; I385-M397 WeakPolarHBondContact O-CA 3.33Å; I385-M398 PolarHBondContact N-O 3.49Å; I385-M398 PolarHBondContact O-N 2.92Å; I385-Y400 HydrophobicContact CB-CD2 3.8Å; I385-Y400 HydrophobicContact CB-CE2 3.91Å; I385-Y400 HydrophobicContact CD1-CD2 3.91Å; I385-Y400 HydrophobicContact CD1-CG 4.31Å; I385-Y400 HydrophobicContact CG1-CD2 3.9Å; I385-L409 HydrophobicContact CD1-CD2 4.3Å; I385-C411 HydrophobicContact CD1-CB 4.47Å; I385-L528 HydrophobicContact CG2-CD2 4.25Å; I385-I530 HydrophobicContact CD1-CD1 4.32Å; I385-I530 HydrophobicContact CG2-CD1 4.1Å; I385-F831 HydrophobicContact CG2-CD1 4.17Å; I385-E832 WeakPolarHBondContact CA-O 3.06Å; I385-F833 HydrophobicContact CD1-CD1 4.14Å; I385-F833 HydrophobicContact CD1-CE1 3.92Å; I385-F833 HydrophobicContact CG1-CD1 3.84Å; I385-F833 HydrophobicContact CG1-CE1 4.06Å; I385-F833 HydrophobicContact CG2-CD1 4.35Å; I385-F833 HydrophobicContact CG2-CE1 4.09Å
386	R	89.1	Confident	85.4	Confident	28 Å²	28	47.2 Å²	47.2	11%	0.106	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.5	157.3	64.1	-179.6	171.4	-168.9	-3.6	112.1	L388 T395 M397 F831 E832	R386-L388 HydrophobicContact CG-CD2 4.04Å; R386-T395 VanDerWaalsContact CD-O 3.31Å; R386-T395 WeakPolarHBondContact CD-O 3.49Å; R386-M397 HydrophobicContact CB-CG 4.01Å; R386-M397 HydrophobicContact CG-CE 4.46Å; R386-M397 HydrophobicContact CG-CG 3.78Å; R386-F831 CarbonylContact O-C 3.58Å; R386-F831 WeakPolarHBondContact O-CA 3.5Å; R386-E832 HydrophobicContact CG-CB 4.1Å; R386-E832 IonicContact CZ-OE2 3.19Å; R386-E832 PolarHBondContact N-O 3.49Å; R386-E832 IonicContact NE-OE2 2.8Å; R386-E832 PolarHBondContact NE-OE2 2.9Å; R386-E832 IonicContact NH2-OE2 2.72Å; R386-E832 PolarHBondContact NH2-OE2 3.07Å; R386-E832 PolarHBondContact O-N 3.33Å
387	K	89.9	Confident	85.3	Confident	73 Å²	73	45 Å²	45	32%	0.317	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	120	167.1	-179.6	169.7	175.5	165.6	0	108.5	E829 F831	K387-E829 VanDerWaalsContact CE-CD 3.49Å; K387-E829 WeakPolarHBondContact CE-OE1 3.46Å; K387-E829 VanDerWaalsContact CE-OE2 3.23Å; K387-E829 WeakPolarHBondContact CE-OE2 3.24Å; K387-E829 IonicContact NZ-OE1 2.65Å; K387-E829 PolarHBondContact NZ-OE1 3.25Å; K387-E829 IonicContact NZ-OE2 3.94Å; K387-E829 PolarHBondContact NZ-OE2 3.23Å; K387-F831 HydrophobicContact CB-CD1 4.01Å; K387-F831 HydrophobicContact CB-CE1 3.84Å; K387-F831 HydrophobicContact CD-CE1 4.17Å; K387-F831 HydrophobicContact CD-CZ 4.32Å; K387-F831 HydrophobicContact CG-CD1 4.48Å; K387-F831 HydrophobicContact CG-CE1 4.09Å; K387-F831 HydrophobicContact CG-CZ 4.46Å
388	L	87.1	Confident	85.2	Confident	13 Å²	13	48.4 Å²	48.4	7%	0.068	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	136	179	-62.7	-177.9	0	0	0	110.7	R386 Q394 F737 R801 V830 E832	R386-L388 HydrophobicContact CG-CD2 4.04Å; L388-Q394 HydrophobicContact CD2-CG 4.21Å; L388-F737 HydrophobicContact CD1-CE1 4.2Å; L388-F737 HydrophobicContact CD1-CZ 3.81Å; L388-R801 HydrophobicContact CD1-CG 4.19Å; L388-V830 HydrophobicContact CB-CB 4.32Å; L388-V830 HydrophobicContact CB-CG1 4.46Å; L388-V830 HydrophobicContact CD1-CG1 4.02Å; L388-V830 PolarHBondContact N-O 2.9Å; L388-E832 HydrophobicContact CD1-CB 4.14Å; L388-E832 HydrophobicContact CD2-CB 4.21Å; L388-E832 HydrophobicContact CG-CB 4.14Å
389	T	83.2	Confident	85.2	Confident	48 Å²	48	48 Å²	48	29%	0.294	27%	0.273	S	S	.	.			trans	-114.3	162.1	178.1	67.2	0	0	0	0	110.1	S391 Q394	T389-S391 PolarHBondContact O-N 3.08Å; T389-S391 VanDerWaalsContact O-N 3.15Å; T389-S391 WeakPolarHBondContact OG1-CB 3.3Å; T389-S391 PolarHBondContact OG1-N 3.42Å; T389-Q394 PolarHBondContact O-NE2 3.02Å; T389-Q394 PolarHBondContact OG1-OE1 3.41Å
390	P	76.2	Confident	85.2	Confident	113 Å²	113	47.6 Å²	47.6	73%	0.734	27%	0.271	S	S	*	.	S	Bend	trans	-71.9	5.8	171.7	30.8	-36.7	0	0	0	114.1	I736	P390-I736 HydrophobicContact CB-CG1 4.48Å
391	S	75	Confident	85.2	Confident	50 Å²	50	51 Å²	51	35%	0.35	28%	0.278	S	S	.	.	S	Bend	trans	-73.9	145.1	172.1	173.4	0	0	0	0	110.8	T389 I393 Q394	T389-S391 PolarHBondContact O-N 3.08Å; T389-S391 VanDerWaalsContact O-N 3.15Å; T389-S391 WeakPolarHBondContact OG1-CB 3.3Å; T389-S391 PolarHBondContact OG1-N 3.42Å; S391-I393 VanDerWaalsContact C-N 3.26Å; S391-I393 VanDerWaalsContact CB-O 3.24Å; S391-I393 WeakPolarHBondContact CB-O 3.38Å; S391-I393 PolarHBondContact O-N 2.96Å; S391-I393 PolarHBondContact OG-N 3.41Å; S391-I393 VanDerWaalsContact OG-N 3.09Å; S391-I393 PolarHBondContact OG-O 3.13Å; S391-Q394 PolarHBondContact O-NE2 3.39Å
392	P	71.2	Confident	85.3	Confident	132 Å²	132	50.2 Å²	50.2	86%	0.857	27%	0.271	S	S	*	.	S	Bend	trans	-65.2	-32.7	168.3	27.8	-34	0	0	0	111.8
393	I	76.1	Confident	85.5	Confident	114 Å²	114	50.9 Å²	50.9	59%	0.585	28%	0.275	S	S	*	.	S	Bend	trans	-87.7	113.7	173.5	-57.2	173.9	0	0	0	108	S391	S391-I393 VanDerWaalsContact C-N 3.26Å; S391-I393 VanDerWaalsContact CB-O 3.24Å; S391-I393 WeakPolarHBondContact CB-O 3.38Å; S391-I393 PolarHBondContact O-N 2.96Å; S391-I393 PolarHBondContact OG-N 3.41Å; S391-I393 VanDerWaalsContact OG-N 3.09Å; S391-I393 PolarHBondContact OG-O 3.13Å
394	Q	76.5	Confident	85.5	Confident	48 Å²	48	50.9 Å²	50.9	22%	0.224	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-89.9	157.3	174	-60.7	-61.6	-27.4	0	0	110.9	L388 T389 S391	L388-Q394 HydrophobicContact CD2-CG 4.21Å; T389-Q394 PolarHBondContact O-NE2 3.02Å; T389-Q394 PolarHBondContact OG1-OE1 3.41Å; S391-Q394 PolarHBondContact O-NE2 3.39Å
395	T	78.2	Confident	85.5	Confident	73 Å²	73	54.4 Å²	54.4	45%	0.448	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-65.9	154.6	168.6	47.1	0	0	0	0	111.3	R386	R386-T395 VanDerWaalsContact CD-O 3.31Å; R386-T395 WeakPolarHBondContact CD-O 3.49Å
396	P	81.1	Confident	85.3	Confident	69 Å²	69	55.3 Å²	55.3	45%	0.448	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-60.3	151.9	167.8	27.8	-35.2	0	0	0	110.4	L550	P396-L550 HydrophobicContact CB-CD2 4.16Å
397	M	86.5	Confident	85.4	Confident	21 Å²	21	56.5 Å²	56.5	10%	0.103	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-72.9	139.6	169	-57.8	-177.3	83.8	0	0	108.9	W384 I385 R386 E832	W384-M397 HydrophobicContact CB-CB 4.16Å; W384-M397 HydrophobicContact CB-CE 4.14Å; W384-M397 HydrophobicContact CE3-CB 4.18Å; W384-M397 WeakPolarHBondContact O-CE 3.31Å; I385-M397 WeakPolarHBondContact O-CA 3.33Å; R386-M397 HydrophobicContact CB-CG 4.01Å; R386-M397 HydrophobicContact CG-CE 4.46Å; R386-M397 HydrophobicContact CG-CG 3.78Å; M397-E832 HydrophobicContact CE-CG 4.37Å; M397-E832 WeakPolarHBondContact CE-O 3.44Å
398	M	87.9	Confident	85.5	Confident	91 Å²	91	55.4 Å²	55.4	45%	0.448	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	147.2	175.4	-57.4	-172.9	83.3	0	0	109.6	W384 I385 Y400 L413	W384-M398 WeakPolarHBondContact CA-O 3.13Å; I385-M398 PolarHBondContact N-O 3.49Å; I385-M398 PolarHBondContact O-N 2.92Å; M398-Y400 HydrophobicContact CB-CD2 4.5Å; M398-Y400 HydrophobicContact CB-CE2 3.77Å; M398-Y400 VanDerWaalsContact O-CD2 3.25Å; M398-Y400 WeakPolarHBondContact O-CD2 3.45Å; M398-L413 HydrophobicContact CB-CD1 3.92Å; M398-L413 HydrophobicContact CE-CD1 3.88Å; M398-L413 HydrophobicContact CE-CD2 4.07Å; M398-L413 HydrophobicContact SD-CD1 4.4Å
399	L	90.2	Very high	85.8	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	123	-178.6	-178	57.9	0	0	0	110.7	W384 I414 T836 F853	W384-L399 HydrophobicContact CD2-CB 4.09Å; W384-L399 HydrophobicContact CD2-CD1 4.16Å; W384-L399 HydrophobicContact CE3-CB 4Å; W384-L399 HydrophobicContact CG-CD1 4.3Å; W384-L399 HydrophobicContact CH2-CB 3.8Å; W384-L399 HydrophobicContact CH2-CD2 4.47Å; W384-L399 HydrophobicContact CZ2-CB 3.89Å; W384-L399 HydrophobicContact CZ2-CD1 4.27Å; W384-L399 HydrophobicContact CZ2-CD2 3.98Å; W384-L399 HydrophobicContact CZ2-CG 4.26Å; W384-L399 HydrophobicContact CZ3-CB 3.87Å; L399-I414 HydrophobicContact CD2-CB 4.48Å; L399-I414 HydrophobicContact CD2-CD1 4.22Å; L399-I414 HydrophobicContact CG-CB 4.35Å; L399-I414 HydrophobicContact CG-CD1 4.08Å; L399-I414 HydrophobicContact CG-CG1 4.45Å; L399-I414 PolarHBondContact O-N 3.22Å; L399-T836 HydrophobicContact CD1-CG2 3.72Å; L399-F853 HydrophobicContact CD2-CD1 4.33Å; L399-F853 HydrophobicContact CD2-CE1 3.92Å; L399-F853 HydrophobicContact CD2-CZ 4.15Å
400	Y	91.2	Very high	86.3	Confident	29 Å²	29	56 Å²	56	11%	0.114	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	140.6	176.5	-63.3	-92.8	0	0	0	111.2	Y382 L383 I385 M398 C402 C411 T412 L413 L528	Y382-Y400 WeakPolarHBondContact CA-O 3.48Å; L383-Y400 PolarHBondContact N-O 2.91Å; L383-Y400 PolarHBondContact O-N 3.47Å; I385-Y400 HydrophobicContact CB-CD2 3.8Å; I385-Y400 HydrophobicContact CB-CE2 3.91Å; I385-Y400 HydrophobicContact CD1-CD2 3.91Å; I385-Y400 HydrophobicContact CD1-CG 4.31Å; I385-Y400 HydrophobicContact CG1-CD2 3.9Å; M398-Y400 HydrophobicContact CB-CD2 4.5Å; M398-Y400 HydrophobicContact CB-CE2 3.77Å; M398-Y400 VanDerWaalsContact O-CD2 3.25Å; M398-Y400 WeakPolarHBondContact O-CD2 3.45Å; Y400-C402 VanDerWaalsContact CB-SG 3.57Å; Y400-C411 HydrophobicContact CD1-CB 3.66Å; Y400-C411 HydrophobicContact CE1-CB 4.41Å; Y400-C411 HydrophobicContact CG-CB 3.89Å; Y400-T412 CarbonylContact C-O 3.58Å; Y400-T412 VanDerWaalsContact CA-O 3.26Å; Y400-T412 WeakPolarHBondContact CA-O 3.17Å; Y400-L413 HydrophobicContact CD1-CB 4.12Å; Y400-L413 HydrophobicContact CD1-CD1 4.26Å; Y400-L413 HydrophobicContact CE1-CB 3.94Å; Y400-L413 HydrophobicContact CE1-CD1 3.87Å; Y400-L528 HydrophobicContact CE1-CB 3.98Å; Y400-L528 HydrophobicContact CE1-CD2 4.26Å; Y400-L528 HydrophobicContact CE2-CD2 4.18Å
401	R	93	Very high	87.2	Confident	106 Å²	106	50.6 Å²	50.6	40%	0.4	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	118.3	158.1	-171.9	176.8	-178.2	-80.8	1.3	107.5	Y382 T412 I414	Y382-R401 HydrophobicContact CD1-CB 4.07Å; Y382-R401 HydrophobicContact CD1-CG 4.27Å; Y382-R401 HydrophobicContact CE1-CB 3.8Å; Y382-R401 HydrophobicContact CE1-CG 3.73Å; R401-T412 PolarHBondContact N-O 3.36Å; R401-T412 PolarHBondContact O-N 3.44Å; R401-I414 HydrophobicContact CB-CD1 4.25Å; R401-I414 HydrophobicContact CB-CG1 4.46Å
402	C	94.1	Very high	88	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	146.9	-170.5	-67.9	0	0	0	0	112.7	S380 G381 L383 Y400 L409 W410 C411 W863	S380-C402 WeakPolarHBondContact CA-O 3.31Å; S380-C402 WeakPolarHBondContact CB-O 3.32Å; G381-C402 PolarHBondContact N-O 2.95Å; G381-C402 VanDerWaalsContact N-O 3.14Å; G381-C402 PolarHBondContact O-N 3.29Å; L383-C402 HydrophobicContact CD1-CB 3.95Å; L383-C402 HydrophobicContact CG-CB 4.45Å; Y400-C402 VanDerWaalsContact CB-SG 3.57Å; C402-L409 HydrophobicContact CB-CD1 4.08Å; C402-L409 HydrophobicContact CB-CG 4.34Å; C402-W410 CarbonylContact C-O 3.55Å; C402-W410 VanDerWaalsContact CA-O 3.29Å; C402-W410 WeakPolarHBondContact CA-O 3.48Å; C402-C411 PolarHBondContact SG-SG 2.92Å; C402-W863 HydrophobicContact CB-CH2 3.92Å; C402-W863 HydrophobicContact CB-CZ2 4.17Å
403	E	93.5	Very high	88.9	Confident	41 Å²	41	46.1 Å²	46.1	19%	0.192	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	117.8	176.9	-170	-178.7	144.3	0	0	110.1	P377 R405 W410	P377-E403 HydrophobicContact CB-CG 3.53Å; P377-E403 HydrophobicContact CG-CG 4.29Å; E403-R405 VanDerWaalsContact CD-NH1 3.33Å; E403-R405 WeakPolarHBondContact OE1-CD 3.48Å; E403-R405 IonicContact OE1-CZ 2.65Å; E403-R405 IonicContact OE1-NE 3.93Å; E403-R405 IonicContact OE1-NH1 2.66Å; E403-R405 PolarHBondContact OE1-NH1 3.03Å; E403-R405 IonicContact OE2-NH1 2.73Å; E403-W410 PolarHBondContact N-O 3.08Å; E403-W410 PolarHBondContact O-N 2.65Å
404	L	93.3	Very high	89.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	114.3	178.1	-179.6	68.4	0	0	0	110.3	P377 L378 K379 L409 I532 W863 I866 M867 H870	P377-L404 CarbonylContact C-O 3.53Å; P377-L404 WeakPolarHBondContact CA-O 3.15Å; L378-L404 HydrophobicContact CB-CD2 4.36Å; L378-L404 HydrophobicContact CD1-CD2 4.46Å; L378-L404 PolarHBondContact N-O 2.96Å; K379-L404 PolarHBondContact O-N 3.21Å; L404-L409 HydrophobicContact CB-CD1 3.93Å; L404-L409 HydrophobicContact CD1-CB 4.47Å; L404-L409 HydrophobicContact CD1-CD1 4.28Å; L404-I532 HydrophobicContact CD1-CB 4.28Å; L404-I532 HydrophobicContact CD1-CG1 4.11Å; L404-I532 HydrophobicContact CD1-CG2 4.32Å; L404-W863 HydrophobicContact CB-CZ3 4.04Å; L404-I866 HydrophobicContact CD2-CG1 4.43Å; L404-I866 HydrophobicContact CD2-CG2 4.03Å; L404-M867 HydrophobicContact CD2-CG 4.01Å; L404-H870 HydrophobicContact CD2-CB 4.24Å
405	R	89.4	Confident	88.9	Confident	86 Å²	86	44.8 Å²	44.8	33%	0.325	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	162.9	177.9	66.4	179	-178.4	-147.6	5.3	112.1	E403 R407 Y408	E403-R405 VanDerWaalsContact CD-NH1 3.33Å; E403-R405 WeakPolarHBondContact OE1-CD 3.48Å; E403-R405 IonicContact OE1-CZ 2.65Å; E403-R405 IonicContact OE1-NE 3.93Å; E403-R405 IonicContact OE1-NH1 2.66Å; E403-R405 PolarHBondContact OE1-NH1 3.03Å; E403-R405 IonicContact OE2-NH1 2.73Å; R405-R407 PolarHBondContact O-N 3.21Å; R405-Y408 PolarHBondContact N-O 2.82Å; R405-Y408 VanDerWaalsContact N-O 3.1Å; R405-Y408 PolarHBondContact O-N 3.12Å
406	D	88.3	Confident	87.7	Confident	22 Å²	22	45.7 Å²	45.7	12%	0.118	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	-101.8	-176.5	173.9	49.5	0	0	0	112.2	S373 Y408 H870 F882	S373-D406 PolarHBondContact O-N 3.01Å; D406-Y408 VanDerWaalsContact OD2-CD2 3.29Å; D406-Y408 WeakPolarHBondContact OD2-CD2 3.4Å; D406-Y408 VanDerWaalsContact OD2-CE2 3.26Å; D406-Y408 WeakPolarHBondContact OD2-CE2 3.44Å; D406-H870 PolarHBondContact O-CE1 2.99Å; D406-H870 PolarHBondContact O-NE2 2.96Å; D406-F882 WeakPolarHBondContact O-CD1 3.32Å; D406-F882 WeakPolarHBondContact O-CE1 3.48Å
407	R	90.6	Very high	85.6	Confident	53 Å²	53	46.2 Å²	46.2	20%	0.2	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.3	29	175.4	-56	-177.2	-70.4	155.4	4.4	110.9	R405 I532 L807 F882	R405-R407 PolarHBondContact O-N 3.21Å; R407-I532 CarbonylContact C-O 3.48Å; R407-I532 VanDerWaalsContact C-O 3.3Å; R407-I532 WeakPolarHBondContact CA-O 3.26Å; R407-I532 PolarHBondContact O-N 3.12Å; R407-I532 VanDerWaalsContact O-O 3.08Å; R407-L807 HydrophobicContact CB-CD1 3.74Å; R407-F882 HydrophobicContact CG-CB 3.85Å; R407-F882 HydrophobicContact CG-CD1 4.16Å; R407-F882 HydrophobicContact CG-CG 4.06Å
408	Y	92.3	Very high	83.1	Confident	51 Å²	51	52.3 Å²	52.3	20%	0.2	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	142.3	-171.5	-57.9	-80.6	0	0	0	112.3	R405 D406 W410 I529 I530 P531 L807	R405-Y408 PolarHBondContact N-O 2.82Å; R405-Y408 VanDerWaalsContact N-O 3.1Å; R405-Y408 PolarHBondContact O-N 3.12Å; D406-Y408 VanDerWaalsContact OD2-CD2 3.29Å; D406-Y408 WeakPolarHBondContact OD2-CD2 3.4Å; D406-Y408 VanDerWaalsContact OD2-CE2 3.26Å; D406-Y408 WeakPolarHBondContact OD2-CE2 3.44Å; Y408-W410 HydrophobicContact CD2-CZ2 4.28Å; Y408-I529 HydrophobicContact CD1-CG2 3.54Å; Y408-I529 HydrophobicContact CE1-CG2 4.25Å; Y408-I529 HydrophobicContact CG-CG2 3.95Å; Y408-I530 CarbonylContact C-O 3.59Å; Y408-I530 WeakPolarHBondContact CA-O 3.26Å; Y408-P531 HydrophobicContact CD1-CB 4.37Å; Y408-P531 HydrophobicContact CD1-CG 4.46Å; Y408-P531 HydrophobicContact CE1-CB 4.39Å; Y408-P531 HydrophobicContact CE1-CG 4.36Å; Y408-L807 HydrophobicContact CE1-CD1 3.81Å; Y408-L807 HydrophobicContact CE2-CD1 4.32Å
409	L	94.4	Very high	80.3	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	114.8	156.3	-169.4	72.1	0	0	0	107.7	L383 I385 C402 L404 I530 I532 F833 W863 M867	L383-L409 HydrophobicContact CD1-CD2 3.94Å; I385-L409 HydrophobicContact CD1-CD2 4.3Å; C402-L409 HydrophobicContact CB-CD1 4.08Å; C402-L409 HydrophobicContact CB-CG 4.34Å; L404-L409 HydrophobicContact CB-CD1 3.93Å; L404-L409 HydrophobicContact CD1-CB 4.47Å; L404-L409 HydrophobicContact CD1-CD1 4.28Å; L409-I530 HydrophobicContact CB-CB 4.29Å; L409-I530 HydrophobicContact CD2-CD1 4.48Å; L409-I530 PolarHBondContact N-O 2.88Å; L409-I530 PolarHBondContact O-N 3.13Å; L409-I532 HydrophobicContact CB-CG1 4.19Å; L409-F833 HydrophobicContact CD2-CE1 3.83Å; L409-W863 HydrophobicContact CD1-CE3 4.48Å; L409-W863 HydrophobicContact CD1-CH2 4.1Å; L409-W863 HydrophobicContact CD1-CZ3 3.64Å; L409-M867 HydrophobicContact CD1-CE 4.07Å; L409-M867 HydrophobicContact CD2-CE 3.84Å
410	W	93.7	Very high	77.2	Confident	73 Å²	73	63.6 Å²	63.6	28%	0.277	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.4	175.4	-60.5	77.6	0	0	0	108.4	C402 E403 Y408 A526 I529	C402-W410 CarbonylContact C-O 3.55Å; C402-W410 VanDerWaalsContact CA-O 3.29Å; C402-W410 WeakPolarHBondContact CA-O 3.48Å; E403-W410 PolarHBondContact N-O 3.08Å; E403-W410 PolarHBondContact O-N 2.65Å; Y408-W410 HydrophobicContact CD2-CZ2 4.28Å; W410-A526 HydrophobicContact CE3-CB 3.95Å; W410-I529 HydrophobicContact CE3-CD1 3.91Å; W410-I529 HydrophobicContact CE3-CG1 4.04Å; W410-I529 HydrophobicContact CH2-CD1 4.31Å; W410-I529 HydrophobicContact CZ3-CD1 3.6Å; W410-I529 HydrophobicContact CZ3-CG1 4.25Å
411	C	94	Very high	74.1	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120.2	-173.1	-54.9	0	0	0	0	110.2	I385 Y400 C402 D527 L528	I385-C411 HydrophobicContact CD1-CB 4.47Å; Y400-C411 HydrophobicContact CD1-CB 3.66Å; Y400-C411 HydrophobicContact CE1-CB 4.41Å; Y400-C411 HydrophobicContact CG-CB 3.89Å; C402-C411 PolarHBondContact SG-SG 2.92Å; C411-D527 PolarHBondContact O-N 3.34Å; C411-D527 VanDerWaalsContact O-N 3.14Å; C411-L528 WeakPolarHBondContact CA-O 3.12Å; C411-L528 HydrophobicContact CB-CB 3.95Å; C411-L528 HydrophobicContact CB-CD2 4.46Å; C411-L528 HydrophobicContact CB-CG 4.29Å; C411-L528 VanDerWaalsContact CB-O 3.31Å; C411-L528 WeakPolarHBondContact CB-O 3.04Å; C411-L528 PolarHBondContact N-O 2.64Å; C411-L528 PolarHBondContact O-N 2.96Å; C411-L528 VanDerWaalsContact O-N 3.12Å
412	T	92.6	Very high	70.9	Confident	40 Å²	40	65.7 Å²	65.7	25%	0.245	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128	171.9	-50.7	0	0	0	0	109	Y400 R401 C524 D527	Y400-T412 CarbonylContact C-O 3.58Å; Y400-T412 VanDerWaalsContact CA-O 3.26Å; Y400-T412 WeakPolarHBondContact CA-O 3.17Å; R401-T412 PolarHBondContact N-O 3.36Å; R401-T412 PolarHBondContact O-N 3.44Å; T412-C524 HydrophobicContact CG2-CB 4.19Å; T412-D527 WeakPolarHBondContact CA-OD2 3.41Å
413	L	90	Very high	67.6	Low	48 Å²	48	71.6 Å²	71.6	25%	0.251	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	140.5	-175.9	-178.6	65.5	0	0	0	111	M398 Y400 D527	M398-L413 HydrophobicContact CB-CD1 3.92Å; M398-L413 HydrophobicContact CE-CD1 3.88Å; M398-L413 HydrophobicContact CE-CD2 4.07Å; M398-L413 HydrophobicContact SD-CD1 4.4Å; Y400-L413 HydrophobicContact CD1-CB 4.12Å; Y400-L413 HydrophobicContact CD1-CD1 4.26Å; Y400-L413 HydrophobicContact CE1-CB 3.94Å; Y400-L413 HydrophobicContact CE1-CD1 3.87Å; L413-D527 HydrophobicContact CB-CB 4.23Å; L413-D527 PolarHBondContact N-OD2 3.37Å
414	I	84.5	Confident	64.4	Low	33 Å²	33	78 Å²	78	17%	0.169	43%	0.427	C	S	.	.			trans	-101	105.5	172.7	-54.5	-171.5	0	0	0	109	Y382 L399 R401 T416	Y382-I414 HydrophobicContact CD1-CD1 3.54Å; Y382-I414 HydrophobicContact CE1-CD1 3.53Å; L399-I414 HydrophobicContact CD2-CB 4.48Å; L399-I414 HydrophobicContact CD2-CD1 4.22Å; L399-I414 HydrophobicContact CG-CB 4.35Å; L399-I414 HydrophobicContact CG-CD1 4.08Å; L399-I414 HydrophobicContact CG-CG1 4.45Å; L399-I414 PolarHBondContact O-N 3.22Å; R401-I414 HydrophobicContact CB-CD1 4.25Å; R401-I414 HydrophobicContact CB-CG1 4.46Å; I414-T416 PolarHBondContact O-N 3.41Å; I414-T416 VanDerWaalsContact O-N 3.12Å
415	N	68.2	Low	61.2	Low	100 Å²	100	86.4 Å²	86.4	54%	0.535	47%	0.466	S	S	.	.			trans	-72.5	100.2	172.5	-74.9	-11.2	0	0	0	109.8	S417	N415-S417 PolarHBondContact O-N 2.92Å
416	T	53.4	Low	58	Low	92 Å²	92	92.7 Å²	92.7	56%	0.564	50%	0.496	S	S	*	.	S	Bend	trans	-74.3	34	173	62.5	0	0	0	0	112.6	I414	I414-T416 PolarHBondContact O-N 3.41Å; I414-T416 VanDerWaalsContact O-N 3.12Å
417	S	36.2	Very low	55.1	Low	81 Å²	81	96.1 Å²	96.1	57%	0.566	52%	0.522	S	S	*	.			trans	-159.6	93.3	-176.4	62.4	0	0	0	0	111.5	N415	N415-S417 PolarHBondContact O-N 2.92Å
418	H	33.8	Very low	51.9	Low	148 Å²	148	99.3 Å²	99.3	69%	0.685	55%	0.552	S	S	*	*			trans	-130	107.7	159.3	-94	-85.8	0	0	0	109
419	N	29.3	Very low	48.9	Very low	127 Å²	127	102 Å²	102	68%	0.679	58%	0.578	S	S	*	*			trans	-70.7	149.4	156	-84.3	-30.1	0	0	0	108.4	G421	N419-G421 PolarHBondContact O-N 3.35Å
420	E	26.1	Very low	45.7	Very low	206 Å²	206	109 Å²	109	96%	0.963	62%	0.615	S	S	*	*	S	Bend	trans	-57.4	118.8	162.1	-61.3	-176.3	121.9	0	0	109.2
421	G	26.3	Very low	42.5	Very low	77 Å²	77	115.5 Å²	115.5	79%	0.794	64%	0.639	S	S	*	*			trans	-164	14.2	-170.5	0	0	0	0	0	114.5	N419	N419-G421 PolarHBondContact O-N 3.35Å
422	S	25.4	Very low	39.6	Very low	102 Å²	102	122.8 Å²	122.8	71%	0.713	67%	0.674	S	S	*	*			trans	-137.7	71.6	176.6	63	0	0	0	0	110.5	H424	S422-H424 PolarHBondContact O-N 3.05Å
423	S	23.8	Very low	36.5	Very low	124 Å²	124	127 Å²	127	87%	0.867	70%	0.695	S	S	*	*			trans	-67.2	75.3	160.3	55.7	0	0	0	0	109.4
424	H	27.6	Very low	33.6	Very low	176 Å²	176	131.5 Å²	131.5	82%	0.815	72%	0.719	S	S	*	*			trans	-112.3	99.7	168.1	-106.4	-60.1	0	0	0	108.9	S422	S422-H424 PolarHBondContact O-N 3.05Å
425	E	25.3	Very low	31	Very low	175 Å²	175	138.7 Å²	138.7	82%	0.818	75%	0.752	S	S	*	*			trans	-58.4	139.6	175.6	-58.8	172.3	116.1	0	0	110.9	S427	E425-S427 PolarHBondContact O-N 2.74Å
426	F	23.3	Very low	29.1	Very low	219 Å²	219	139.3 Å²	139.3	96%	0.961	76%	0.759	S	S	*	*			trans	-72.9	69	159	-96	-88	0	0	0	109.8
427	S	26.2	Very low	28.2	Very low	93 Å²	93	140.8 Å²	140.8	65%	0.65	77%	0.773	S	S	*	*			trans	-91.4	103.4	168	-168.2	0	0	0	0	109.6	E425 S429	E425-S427 PolarHBondContact O-N 2.74Å; S427-S429 PolarHBondContact O-N 2.97Å
428	S	24.4	Very low	27.9	Very low	121 Å²	121	145.7 Å²	145.7	85%	0.846	78%	0.784	S	S	*	*			trans	-87.6	88.5	-175.5	46.8	0	0	0	0	112.1
429	S	28.9	Very low	27.7	Very low	107 Å²	107	143.8 Å²	143.8	75%	0.748	79%	0.786	S	S	*	*			trans	-146.6	151.9	168.2	69.4	0	0	0	0	115.8	S427	S427-S429 PolarHBondContact O-N 2.97Å
430	L	25.7	Very low	27.8	Very low	146 Å²	146	144 Å²	144	76%	0.764	79%	0.788	S	S	*	*			trans	-72.5	154.4	-173.8	-97.2	60.1	0	0	0	114.4
431	R	28.4	Very low	28.1	Very low	210 Å²	210	141 Å²	141	79%	0.792	78%	0.778	S	S	*	*			trans	71.8	105.9	143.8	-71.9	173.4	178.9	-147.3	0.3	120.9
432	Q	31.7	Very low	28.5	Very low	154 Å²	154	145.4 Å²	145.4	72%	0.72	78%	0.782	S	S	*	*				62.2	109.8	119.8	-69.5	178	-54.7	0	0	121.9
433	N	28.8	Very low	28.8	Very low	128 Å²	128	143.6 Å²	143.6	68%	0.684	78%	0.779	S	S	*	*				82.5	107.8	123.6	-61.8	9.2	0	0	0	122
434	N	28.8	Very low	29.3	Very low	143 Å²	143	144.8 Å²	144.8	77%	0.765	78%	0.782	S	S	*	*				60.6	119.2	126.6	-57.2	0.9	0	0	0	121.6
435	Q	28.9	Very low	29.4	Very low	183 Å²	183	140.4 Å²	140.4	86%	0.855	78%	0.784	S	S	*	*				171	176	108.6	-85	-176.6	26	0	0	107.4
436	V	28.7	Very low	29.8	Very low	113 Å²	113	137.3 Å²	137.3	69%	0.685	78%	0.782	S	S	*	*			cis	-150.1	142.9	22.5	177.5	0	0	0	0	110.5	K438	V436-K438 HydrophobicContact CG1-CG 4.36Å
437	S	34.8	Very low	30.1	Very low	123 Å²	123	132.3 Å²	132.3	86%	0.86	77%	0.773	S	S	*	*			trans	-145.6	154.9	138.3	61.3	0	0	0	0	108.7
438	K	28.8	Very low	30.6	Very low	185 Å²	185	133.9 Å²	133.9	80%	0.804	78%	0.784	S	S	*	*			trans	-115.5	173.5	-161	-95.3	-170.6	174.8	-173	0	114.1	V436	V436-K438 HydrophobicContact CG1-CG 4.36Å
439	C	31.2	Very low	30.9	Very low	107 Å²	107	135.3 Å²	135.3	72%	0.723	78%	0.782	S	S	*	*			trans	108	129.8	163.4	-61.4	0	0	0	0	115.4
440	D	31.3	Very low	31.5	Very low	133 Å²	133	135.3 Å²	135.3	71%	0.711	78%	0.779	S	S	*	*			cis	-158	169.9	-14.2	-96.2	-35.2	0	0	0	111
441	D	32.8	Very low	31.9	Very low	143 Å²	143	134.5 Å²	134.5	77%	0.765	78%	0.78	S	S	*	*			trans	68.7	132.5	158.1	-79	-25.8	0	0	0	124.7
442	L	34.7	Very low	32	Very low	169 Å²	169	127.5 Å²	127.5	89%	0.885	77%	0.774	S	S	*	*			trans	55.1	127.9	148.5	-56	166.8	0	0	0	120.2
443	G	31	Very low	32	Very low	63 Å²	63	127.3 Å²	127.3	65%	0.649	78%	0.776	S	S	*	*			cis	173.3	-179.6	-2.5	0	0	0	0	0	113.6
444	T	33.9	Very low	32	Very low	150 Å²	150	128.2 Å²	128.2	92%	0.92	78%	0.781	S	S	*	*			trans	63	107.4	169.2	39.7	0	0	0	0	122.3
445	G	30.7	Very low	32.1	Very low	83 Å²	83	125.8 Å²	125.8	86%	0.856	78%	0.775	S	S	*	*			trans	75.8	149.8	144	0	0	0	0	0	119.2
446	S	32.7	Very low	32.3	Very low	111 Å²	111	124.7 Å²	124.7	78%	0.776	77%	0.77	S	S	*	*			cis	-156.8	146.6	-7.6	-176.8	0	0	0	0	111.2
447	C	30.6	Very low	32.4	Very low	114 Å²	114	125.3 Å²	125.3	77%	0.77	77%	0.769	S	S	*	*			trans	1.4	134.1	165.5	-49	0	0	0	0	119.2
448	S	35.1	Very low	32.1	Very low	125 Å²	125	127.7 Å²	127.7	87%	0.874	77%	0.765	S	S	*	*				-165.1	166.2	71.6	28.2	0	0	0	0	115.2
449	N	31.2	Very low	32.2	Very low	152 Å²	152	124.2 Å²	124.2	81%	0.813	76%	0.755	S	S	*	*			trans	-94.5	-179.9	-166.7	-102.9	-19.6	0	0	0	112.8
450	P	41.5	Very low	32.3	Very low	106 Å²	106	126.5 Å²	126.5	69%	0.688	76%	0.755	S	S	*	*			cis	-146.9	160.3	26.3	44.7	-25.2	0	0	0	120.7
451	T	34.1	Very low	32.4	Very low	129 Å²	129	126 Å²	126	79%	0.791	75%	0.752	S	S	*	*			trans	32.7	146.3	140.6	63.5	0	0	0	0	122.8
452	G	30.6	Very low	32.5	Very low	63 Å²	63	126.2 Å²	126.2	65%	0.649	75%	0.748	S	S	*	*			cis	174.5	133.4	-1.8	0	0	0	0	0	110.5
453	I	32.1	Very low	32.3	Very low	151 Å²	151	125.3 Å²	125.3	77%	0.774	74%	0.74	S	S	*	*				79.4	98.5	94.5	-65.6	171.3	0	0	0	114.8
454	N	29.6	Very low	32.2	Very low	146 Å²	146	128.3 Å²	128.3	78%	0.781	74%	0.738	S	S	*	*				49.4	157.1	119.2	-55.5	8.3	0	0	0	122.1
455	S	30.2	Very low	32	Very low	93 Å²	93	129.5 Å²	129.5	65%	0.65	73%	0.731	S	S	*	*			cis	-176.2	-174.7	-27.6	53.5	0	0	0	0	110.1
456	E	32.1	Very low	32	Very low	159 Å²	159	132.1 Å²	132.1	74%	0.743	72%	0.724	S	S	*	*			trans	105.6	94.1	156.2	-53.6	-156.4	-170.5	0	0	122
457	N	31.7	Very low	32.8	Very low	126 Å²	126	132.1 Å²	132.1	67%	0.674	72%	0.721	S	S	*	*				80.6	121.2	106.1	-64.1	-19.2	0	0	0	125.4
458	F	28.7	Very low	33.4	Very low	173 Å²	173	132 Å²	132	76%	0.759	72%	0.719	S	S	*	*			trans	85.6	96.8	132.2	-84.9	-116.9	0	0	0	123.4
459	N	30	Very low	33.3	Very low	113 Å²	113	135 Å²	135	60%	0.604	72%	0.717	S	S	*	*				67.9	124.8	115.4	-72	-2	0	0	0	124.9
460	Q	34.5	Very low	33.3	Very low	155 Å²	155	135.9 Å²	135.9	72%	0.724	72%	0.716	S	S	*	*			trans	75.7	140.5	132.3	-68.9	-180	-0.6	0	0	118.8
461	N	33.4	Very low	32.8	Very low	122 Å²	122	138.4 Å²	138.4	65%	0.652	72%	0.718	S	S	*	*			cis	-164.7	158.2	16.2	-110.1	-13.8	0	0	0	115.5
462	H	33.8	Very low	32.7	Very low	147 Å²	147	136.5 Å²	136.5	68%	0.681	71%	0.71	S	S	*	*			trans	68.7	134.6	147.6	-83.8	-108.5	0	0	0	126.9
463	E	31.1	Very low	32.6	Very low	151 Å²	151	142.1 Å²	142.1	71%	0.706	72%	0.719	S	S	*	*			trans	73	149.2	139.3	-74.2	179.5	-161.1	0	0	124.2
464	M	29.4	Very low	32.6	Very low	126 Å²	126	142.6 Å²	142.6	62%	0.621	72%	0.718	S	S	*	*			cis	-167.8	-171.4	-28.4	-140.4	-150.8	-63.2	0	0	112.7
465	F	28.3	Very low	32.5	Very low	174 Å²	174	142 Å²	142	76%	0.763	72%	0.715	S	S	*	*			trans	74.4	162.7	171.3	-63.7	-89.6	0	0	0	119.5
466	I	32	Very low	32.4	Very low	139 Å²	139	144 Å²	144	71%	0.713	72%	0.718	S	S	*	*				-163.9	150.4	-64.7	-105.8	163.1	0	0	0	110.7
467	P	49.3	Very low	32.1	Very low	110 Å²	110	144.6 Å²	144.6	71%	0.714	72%	0.718	S	S	*	*			trans	-105.5	177.5	-171.5	41.3	-37.6	0	0	0	115.9
468	P	43.7	Very low	32.1	Very low	113 Å²	113	145.5 Å²	145.5	73%	0.734	72%	0.723	S	S	*	*				-157	153.2	121.6	38.4	-20.1	0	0	0	120
469	K	31	Very low	32	Very low	187 Å²	187	145.3 Å²	145.3	81%	0.813	72%	0.722	S	S	*	*			trans	51.1	156.2	139.6	-60.8	-176.7	176.3	-178.8	0	121.5
470	E	31.5	Very low	31.9	Very low	170 Å²	170	147.2 Å²	147.2	79%	0.794	73%	0.732	S	S	*	*			cis	-153.6	169.3	43.9	-77.8	-172.4	154.4	0	0	117
471	H	31.7	Very low	31.3	Very low	160 Å²	160	147.9 Å²	147.9	74%	0.741	74%	0.739	S	S	*	*			trans	1.3	157.9	152.7	-60.7	-71	0	0	0	123.3
472	S	31.8	Very low	30.9	Very low	89 Å²	89	148.4 Å²	148.4	62%	0.622	75%	0.747	S	S	*	*			cis	-178.2	157.2	-12.2	54.6	0	0	0	0	115.6
473	H	29.1	Very low	30.8	Very low	181 Å²	181	146.4 Å²	146.4	84%	0.838	75%	0.75	S	S	*	*			trans	75.7	150	147.1	-87.4	-72.8	0	0	0	125.2
474	E	31	Very low	30.7	Very low	161 Å²	161	144.6 Å²	144.6	75%	0.752	75%	0.754	S	S	*	*			trans	80.8	108.1	157.8	-72.8	-172	176.7	0	0	125.2
475	N	28	Very low	30.5	Very low	133 Å²	133	147.9 Å²	147.9	71%	0.711	77%	0.765	S	S	*	*				55.8	131.9	120.9	-57.1	-6.9	0	0	0	125.6
476	D	29	Very low	30.6	Very low	134 Å²	134	145.6 Å²	145.6	72%	0.717	77%	0.768	S	S	*	*				93.4	126	129.3	-87.3	-16.8	0	0	0	126.1
477	F	26.1	Very low	30.2	Very low	172 Å²	172	145 Å²	145	75%	0.754	77%	0.771	S	S	*	*			trans	69.9	154.6	147.1	-85	-78.9	0	0	0	125.7
478	L	30.3	Very low	29.2	Very low	146 Å²	146	146.7 Å²	146.7	76%	0.764	78%	0.778	S	S	*	*			trans	77	120.6	175.3	-62.2	121.7	0	0	0	116.5
479	K	26.4	Very low	28.2	Very low	169 Å²	169	148 Å²	148	74%	0.735	78%	0.779	S	S	*	*			cis	65.4	94.6	47.7	-67.5	-171.3	174.3	178.9	0	114.9
480	N	28	Very low	28.2	Very low	152 Å²	152	145.8 Å²	145.8	81%	0.813	78%	0.776	S	S	*	*				179.1	157.6	102.9	-87.4	-23.3	0	0	0	111.1
481	L	22.9	Very low	27.8	Very low	169 Å²	169	142.6 Å²	142.6	89%	0.885	77%	0.772	S	S	*	*			trans	-147.5	103.1	-178.6	-167	141.8	0	0	0	110.6
482	T	25.3	Very low	27.7	Very low	133 Å²	133	145.3 Å²	145.3	82%	0.816	78%	0.776	S	S	*	*			trans	-152.4	100.2	-174.7	48.2	0	0	0	0	113.4
483	S	30.6	Very low	27.5	Very low	105 Å²	105	146.9 Å²	146.9	73%	0.734	78%	0.778	S	S	*	*			trans	-168.8	96.7	162.1	54.3	0	0	0	0	108.1
484	S	29.4	Very low	27.4	Very low	113 Å²	113	144.5 Å²	144.5	79%	0.79	77%	0.771	S	S	*	*				86.8	117	84.8	66.3	0	0	0	0	113.8
485	F	24.1	Very low	27.1	Very low	195 Å²	195	144.5 Å²	144.5	86%	0.855	78%	0.775	S	S	*	*			trans	-68.7	166.6	169	-64.3	-92.2	0	0	0	111.5
486	P	31.5	Very low	27.1	Very low	127 Å²	127	144.3 Å²	144.3	83%	0.825	78%	0.784	S	S	*	*				-140.4	168.1	101.3	39	-27.5	0	0	0	115.2
487	T	22.8	Very low	26.9	Very low	127 Å²	127	142.2 Å²	142.2	78%	0.779	79%	0.786	S	S	*	*			trans	-103.4	144.9	-179.8	-34.7	0	0	0	0	111.4
488	V	29.7	Very low	26.9	Very low	144 Å²	144	142.7 Å²	142.7	87%	0.873	79%	0.79	S	S	*	*			trans	-137.3	156.2	164.4	-176.4	0	0	0	0	108.6
489	D	23	Very low	26.7	Very low	140 Å²	140	144.4 Å²	144.4	75%	0.749	79%	0.791	S	S	*	*			trans	-130.5	176.9	-154.9	-160.3	-2.3	0	0	0	113.6
490	L	29	Very low	26.6	Very low	141 Å²	141	144.2 Å²	144.2	74%	0.738	79%	0.793	S	S	*	*			trans	83.2	101.8	164.5	-56.1	175.2	0	0	0	120.3
491	S	24.3	Very low	26.6	Very low	104 Å²	104	146 Å²	146	73%	0.727	79%	0.794	S	S	*	*			trans	29.4	140.4	133.2	67.6	0	0	0	0	121
492	R	28.7	Very low	26.6	Very low	216 Å²	216	145.6 Å²	145.6	82%	0.815	79%	0.793	S	S	*	*				179.6	135.6	67.3	-170.3	172.9	-164.9	176	6.2	114
493	N	29	Very low	26.8	Very low	123 Å²	123	147.1 Å²	147.1	66%	0.658	79%	0.79	S	S	*	*			trans	64.4	122.4	154	-69.8	17.2	0	0	0	124.2
494	N	27.3	Very low	26.5	Very low	131 Å²	131	148.4 Å²	148.4	70%	0.701	79%	0.794	S	S	*	*				95	115.7	129.5	-69.2	0.8	0	0	0	123.7
495	L	24.7	Very low	26.2	Very low	160 Å²	160	147.8 Å²	147.8	84%	0.838	79%	0.789	S	S	*	*			trans	65.4	94.3	135.2	-71.2	162.8	0	0	0	120.8
496	S	26.5	Very low	26.4	Very low	130 Å²	130	145.3 Å²	145.3	91%	0.909	79%	0.79	S	S	*	*				-168	-178.9	123.8	45.1	0	0	0	0	110.2
497	A	24.5	Very low	26.1	Very low	90 Å²	90	143.9 Å²	143.9	74%	0.744	78%	0.783	S	S	*	*			trans	-117.6	128.3	-159.9	0	0	0	0	0	115.8
498	Q	27.6	Very low	26.2	Very low	181 Å²	181	144 Å²	144	85%	0.846	79%	0.788	S	S	*	*			trans	-144.8	129.8	149.8	-112.8	110.1	-9.6	0	0	107.5
499	K	24.8	Very low	26	Very low	182 Å²	182	142.2 Å²	142.2	79%	0.791	78%	0.782	S	S	*	*				53.3	119.7	81.1	-80.5	-170.7	174	-177.3	0	115.1
500	Q	24.4	Very low	26.3	Very low	165 Å²	165	143.9 Å²	143.9	77%	0.771	79%	0.79	S	S	*	*			trans	71.4	98.3	131.2	-168.9	175.1	2.2	0	0	118.8
501	F	27.3	Very low	26.2	Very low	190 Å²	190	141.3 Å²	141.3	83%	0.833	80%	0.797	S	S	*	*			trans	-143.3	108	140.1	-95.7	-75.2	0	0	0	109.7
502	D	24.4	Very low	26.5	Very low	160 Å²	160	141.5 Å²	141.5	86%	0.856	80%	0.798	S	S	*	*			trans	-95.9	138.8	161.8	-91.7	-54.5	0	0	0	108.1
503	H	28.9	Very low	26.3	Very low	166 Å²	166	135.3 Å²	135.3	77%	0.769	80%	0.802	S	S	*	*			trans	-104.3	113	175.5	-80.8	-74.7	0	0	0	112
504	T	24.5	Very low	26.2	Very low	131 Å²	131	135.9 Å²	135.9	80%	0.804	80%	0.804	S	S	*	*			trans	-59.2	158.9	147.9	45.7	0	0	0	0	109.7
505	S	23.9	Very low	26.1	Very low	100 Å²	100	135.8 Å²	135.8	70%	0.699	80%	0.803	S	S	*	*			cis	-156.8	165.4	10.1	50.1	0	0	0	0	110.7
506	V	27.1	Very low	26.2	Very low	143 Å²	143	136.9 Å²	136.9	87%	0.867	80%	0.796	S	S	*	*				-140.9	126.6	127.4	-179.8	0	0	0	0	107.3
507	S	25.1	Very low	26.2	Very low	98 Å²	98	136.7 Å²	136.7	69%	0.685	79%	0.785	S	S	*	*			trans	-102.9	125.3	179.5	51.7	0	0	0	0	111.7
508	C	26.5	Very low	26.3	Very low	129 Å²	129	138.1 Å²	138.1	87%	0.872	78%	0.78	S	S	*	*			trans	-105.7	97.5	164.6	-72.6	0	0	0	0	109.6
509	S	24.5	Very low	26.3	Very low	107 Å²	107	136.7 Å²	136.7	75%	0.748	78%	0.777	S	S	*	*			trans	-95.7	102	178.5	52.5	0	0	0	0	111.4
510	L	30.1	Very low	26.4	Very low	174 Å²	174	133 Å²	133	91%	0.911	77%	0.774	S	S	*	*			trans	-120	135.4	155.6	-96.3	86.5	0	0	0	109
511	G	25.1	Very low	26.4	Very low	87 Å²	87	128.6 Å²	128.6	90%	0.897	76%	0.761	S	S	*	*			trans	-83.2	131.2	-170.1	0	0	0	0	0	114.1
512	S	30.7	Very low	26.5	Very low	108 Å²	108	128.2 Å²	128.2	76%	0.755	76%	0.756	S	S	*	*			trans	-149.4	117.6	143.6	-177.7	0	0	0	0	107.8	I514	S512-I514 PolarHBondContact O-N 3.16Å; S512-I514 VanDerWaalsContact O-N 3.13Å
513	G	25.3	Very low	26.9	Very low	87 Å²	87	128.3 Å²	128.3	90%	0.897	76%	0.756	S	S	*	*			trans	-80.2	91.2	-169.6	0	0	0	0	0	112.6
514	I	26.5	Very low	27.5	Very low	134 Å²	134	124.1 Å²	124.1	69%	0.687	75%	0.745	S	S	*	*			trans	-124.4	124.6	163.6	-59.6	178	0	0	0	107.7	S512 R516	S512-I514 PolarHBondContact O-N 3.16Å; S512-I514 VanDerWaalsContact O-N 3.13Å; I514-R516 PolarHBondContact O-N 3.07Å
515	N	25.2	Very low	29.1	Very low	129 Å²	129	124.8 Å²	124.8	69%	0.69	74%	0.738	S	S	*	*			trans	-76	83.1	-166	-125.4	-19.5	0	0	0	112.3	N517	N515-N517 PolarHBondContact O-N 3.42Å; N515-N517 VanDerWaalsContact O-N 3.11Å
516	R	27.1	Very low	31.2	Very low	183 Å²	183	120.5 Å²	120.5	69%	0.691	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-71.6	0.3	-178.4	-62.2	-170.5	-169.4	163.1	9.3	114.9	I514 L518	I514-R516 PolarHBondContact O-N 3.07Å; R516-L518 VanDerWaalsContact C-N 3.35Å
517	N	26.7	Very low	33.9	Very low	126 Å²	126	118.4 Å²	118.4	67%	0.674	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-82.8	-6.3	-176.5	-68.2	-4.2	0	0	0	114.2	N515	N515-N517 PolarHBondContact O-N 3.42Å; N515-N517 VanDerWaalsContact O-N 3.11Å
518	L	27.2	Very low	36.9	Very low	121 Å²	121	115.7 Å²	115.7	63%	0.634	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-81.9	-14.7	176.7	-76.9	165	0	0	0	114.2	R516 S521	R516-L518 VanDerWaalsContact C-N 3.35Å; L518-S521 PolarHBondContact O-OG 3.32Å
519	L	27	Very low	40	Very low	150 Å²	150	112 Å²	112	79%	0.785	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-94.7	6	-177.8	-105.4	71.6	0	0	0	114.6
520	S	27.3	Very low	43.2	Very low	104 Å²	104	107 Å²	107	73%	0.727	61%	0.606	S	S	*	*	S	Bend	trans	-129.7	12.3	-177.4	63.4	0	0	0	0	114.5
521	S	24.5	Very low	46.1	Very low	73 Å²	73	99.1 Å²	99.1	51%	0.51	57%	0.566	S	S	.	*	S	Bend	trans	-108.9	2.7	-170.6	50.5	0	0	0	0	115	L518	L518-S521 PolarHBondContact O-OG 3.32Å
522	Y	29.6	Very low	49.2	Very low	183 Å²	183	95 Å²	95	72%	0.718	52%	0.523	S	S	*	.			trans	-120.9	104.5	179.5	-72	-77	0	0	0	112.2	C524	Y522-C524 PolarHBondContact O-N 3.31Å
523	N	31.7	Very low	52.1	Low	162 Å²	162	90.1 Å²	90.1	87%	0.866	49%	0.489	S	S	*	.			trans	-76.4	62	159.4	-78.6	-23.2	0	0	0	109.5	H525	N523-H525 PolarHBondContact O-N 2.93Å; N523-H525 VanDerWaalsContact O-N 3.13Å
524	C	42.6	Very low	55	Low	77 Å²	77	88.9 Å²	88.9	52%	0.52	46%	0.464	S	S	.	.			trans	-67.6	110.1	170.8	-71.3	0	0	0	0	109	T412 Y522	T412-C524 HydrophobicContact CG2-CB 4.19Å; Y522-C524 PolarHBondContact O-N 3.31Å
525	H	56.7	Low	57.9	Low	145 Å²	145	87.1 Å²	87.1	67%	0.671	45%	0.452	S	S	*	.			trans	-63.2	140.1	158.5	-66.5	-82.4	0	0	0	108.2	N523 D527	N523-H525 PolarHBondContact O-N 2.93Å; N523-H525 VanDerWaalsContact O-N 3.13Å; H525-D527 PolarHBondContact O-N 3.46Å
526	A	69.2	Low	60.9	Low	10 Å²	10	81.4 Å²	81.4	8%	0.083	42%	0.422	C	S	.	.			trans	-72.9	128.8	179.4	0	0	0	0	0	110.7	W410 L528 I529	W410-A526 HydrophobicContact CE3-CB 3.95Å; A526-L528 VanDerWaalsContact C-N 3.28Å; A526-L528 PolarHBondContact O-N 2.67Å; A526-I529 HydrophobicContact CB-CD1 4.38Å; A526-I529 HydrophobicContact CB-CG1 3.89Å
527	D	82.9	Confident	63.8	Low	100 Å²	100	77 Å²	77	54%	0.535	41%	0.412	S	S	.	.	S	Bend	trans	-68.9	-29.9	178.3	-50.4	-83.1	0	0	0	112	C411 T412 L413 H525	C411-D527 PolarHBondContact O-N 3.34Å; C411-D527 VanDerWaalsContact O-N 3.14Å; T412-D527 WeakPolarHBondContact CA-OD2 3.41Å; L413-D527 HydrophobicContact CB-CB 4.23Å; L413-D527 PolarHBondContact N-OD2 3.37Å; H525-D527 PolarHBondContact O-N 3.46Å
528	L	88.5	Confident	66.8	Low	40 Å²	40	72.2 Å²	72.2	21%	0.209	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	136.1	177.6	172.7	63.1	0	0	0	110.3	I385 Y400 C411 A526 I530 F831	I385-L528 HydrophobicContact CG2-CD2 4.25Å; Y400-L528 HydrophobicContact CE1-CB 3.98Å; Y400-L528 HydrophobicContact CE1-CD2 4.26Å; Y400-L528 HydrophobicContact CE2-CD2 4.18Å; C411-L528 WeakPolarHBondContact CA-O 3.12Å; C411-L528 HydrophobicContact CB-CB 3.95Å; C411-L528 HydrophobicContact CB-CD2 4.46Å; C411-L528 HydrophobicContact CB-CG 4.29Å; C411-L528 VanDerWaalsContact CB-O 3.31Å; C411-L528 WeakPolarHBondContact CB-O 3.04Å; C411-L528 PolarHBondContact N-O 2.64Å; C411-L528 PolarHBondContact O-N 2.96Å; C411-L528 VanDerWaalsContact O-N 3.12Å; A526-L528 VanDerWaalsContact C-N 3.28Å; A526-L528 PolarHBondContact O-N 2.67Å; L528-I530 HydrophobicContact CD1-CG1 4.11Å; L528-I530 HydrophobicContact CD2-CD1 4.1Å; L528-I530 HydrophobicContact CD2-CG1 4.25Å; L528-I530 HydrophobicContact CG-CD1 4.4Å; L528-I530 HydrophobicContact CG-CG1 4Å; L528-F831 HydrophobicContact CD1-CE1 4.29Å
529	I	90.9	Very high	69.4	Low	53 Å²	53	68.9 Å²	68.9	27%	0.272	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	114.7	177.7	-58	173.4	0	0	0	107.4	Y408 W410 A526	Y408-I529 HydrophobicContact CD1-CG2 3.54Å; Y408-I529 HydrophobicContact CE1-CG2 4.25Å; Y408-I529 HydrophobicContact CG-CG2 3.95Å; W410-I529 HydrophobicContact CE3-CD1 3.91Å; W410-I529 HydrophobicContact CE3-CG1 4.04Å; W410-I529 HydrophobicContact CH2-CD1 4.31Å; W410-I529 HydrophobicContact CZ3-CD1 3.6Å; W410-I529 HydrophobicContact CZ3-CG1 4.25Å; A526-I529 HydrophobicContact CB-CD1 4.38Å; A526-I529 HydrophobicContact CB-CG1 3.89Å
530	I	92	Very high	71.7	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	119.8	-178.7	-56.5	177.4	0	0	0	108.6	I385 Y408 L409 L528 I532 T804 F831 F833	I385-I530 HydrophobicContact CD1-CD1 4.32Å; I385-I530 HydrophobicContact CG2-CD1 4.1Å; Y408-I530 CarbonylContact C-O 3.59Å; Y408-I530 WeakPolarHBondContact CA-O 3.26Å; L409-I530 HydrophobicContact CB-CB 4.29Å; L409-I530 HydrophobicContact CD2-CD1 4.48Å; L409-I530 PolarHBondContact N-O 2.88Å; L409-I530 PolarHBondContact O-N 3.13Å; L528-I530 HydrophobicContact CD1-CG1 4.11Å; L528-I530 HydrophobicContact CD2-CD1 4.1Å; L528-I530 HydrophobicContact CD2-CG1 4.25Å; L528-I530 HydrophobicContact CG-CD1 4.4Å; L528-I530 HydrophobicContact CG-CG1 4Å; I530-I532 HydrophobicContact CG2-CD1 4.24Å; I530-I532 PolarHBondContact O-N 2.64Å; I530-T804 HydrophobicContact CG2-CG2 3.93Å; I530-F831 HydrophobicContact CD1-CB 4.38Å; I530-F831 HydrophobicContact CD1-CD1 3.69Å; I530-F831 HydrophobicContact CD1-CD2 4.28Å; I530-F831 HydrophobicContact CD1-CE1 3.96Å; I530-F831 HydrophobicContact CD1-CG 3.87Å; I530-F831 HydrophobicContact CD1-CZ 4.38Å; I530-F831 HydrophobicContact CG1-CD1 4.3Å; I530-F831 HydrophobicContact CG1-CE1 4.08Å; I530-F831 HydrophobicContact CG1-CE2 4.32Å; I530-F831 HydrophobicContact CG1-CZ 4.1Å; I530-F831 HydrophobicContact CG2-CD2 3.9Å; I530-F831 HydrophobicContact CG2-CE2 3.94Å; I530-F831 HydrophobicContact CG2-CG 4.47Å; I530-F833 HydrophobicContact CD1-CE1 3.88Å; I530-F833 HydrophobicContact CD1-CZ 3.81Å
531	P	91.9	Very high	73	Confident	9 Å²	9	62.2 Å²	62.2	6%	0.058	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	132.1	173.8	-19	31.6	0	0	0	111.4	Y408 T804 L807	Y408-P531 HydrophobicContact CD1-CB 4.37Å; Y408-P531 HydrophobicContact CD1-CG 4.46Å; Y408-P531 HydrophobicContact CE1-CB 4.39Å; Y408-P531 HydrophobicContact CE1-CG 4.36Å; P531-T804 WeakPolarHBondContact O-CB 3.29Å; P531-T804 PolarHBondContact O-OG1 2.87Å; P531-L807 HydrophobicContact CB-CD1 4.23Å; P531-L807 HydrophobicContact CB-CG 4.22Å
532	I	91.1	Very high	74.4	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.322	C	S	.	.			trans	-127.8	107.8	175	-57.9	-64.8	0	0	0	106.7	L404 R407 L409 I530 T536 I802 M867 V871 Q874	L404-I532 HydrophobicContact CD1-CB 4.28Å; L404-I532 HydrophobicContact CD1-CG1 4.11Å; L404-I532 HydrophobicContact CD1-CG2 4.32Å; R407-I532 CarbonylContact C-O 3.48Å; R407-I532 VanDerWaalsContact C-O 3.3Å; R407-I532 WeakPolarHBondContact CA-O 3.26Å; R407-I532 PolarHBondContact O-N 3.12Å; R407-I532 VanDerWaalsContact O-O 3.08Å; L409-I532 HydrophobicContact CB-CG1 4.19Å; I530-I532 HydrophobicContact CG2-CD1 4.24Å; I530-I532 PolarHBondContact O-N 2.64Å; I532-T536 HydrophobicContact CD1-CG2 4.41Å; I532-I802 HydrophobicContact CD1-CD1 4.14Å; I532-M867 HydrophobicContact CD1-SD 4.47Å; I532-V871 HydrophobicContact CG2-CG2 3.79Å; I532-Q874 PolarHBondContact O-NE2 3.18Å
533	H	90	Very high	75.9	Confident	7 Å²	7	54.9 Å²	54.9	3%	0.032	30%	0.298	C	S	.	.	S	Bend	trans	-156.9	-176.2	-170.4	69.8	96.5	0	0	0	113.9	E535 T536 C805 L807 Q874	H533-E535 PolarHBondContact ND1-N 2.97Å; H533-E535 PolarHBondContact O-N 2.76Å; H533-E535 VanDerWaalsContact O-N 3.11Å; H533-T536 PolarHBondContact N-OG1 3.45Å; H533-T536 WeakPolarHBondContact O-CB 3.44Å; H533-T536 PolarHBondContact O-N 2.96Å; H533-T536 PolarHBondContact O-OG1 2.82Å; H533-C805 PolarHBondContact CE1-SG 2.87Å; H533-C805 PolarHBondContact NE2-O 2.81Å; H533-C805 PolarHBondContact NE2-SG 2.84Å; H533-C805 VanDerWaalsContact NE2-SG 3.37Å; H533-L807 HydrophobicContact CB-CD2 3.73Å; H533-L807 HydrophobicContact CB-CG 4.45Å; H533-L807 VanDerWaalsContact CG-CD2 3.43Å; H533-Q874 VanDerWaalsContact CA-OE1 3.25Å
534	T	87.7	Confident	77.5	Confident	61 Å²	61	49.6 Å²	49.6	37%	0.374	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-15.7	-172.4	59	0	0	0	0	115.9	Q874 E875	T534-Q874 HydrophobicContact CG2-CB 3.84Å; T534-E875 HydrophobicContact CG2-CB 4.48Å; T534-E875 HydrophobicContact CG2-CG 3.81Å
535	E	86.2	Confident	78.3	Confident	96 Å²	96	49.8 Å²	49.8	45%	0.449	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	9.5	171.4	-44.7	-173.1	153.2	0	0	113.1	H533 C805	H533-E535 PolarHBondContact ND1-N 2.97Å; H533-E535 PolarHBondContact O-N 2.76Å; H533-E535 VanDerWaalsContact O-N 3.11Å; E535-C805 PolarHBondContact OE2-SG 2.61Å
536	T	88.8	Confident	78.6	Confident	10 Å²	10	45 Å²	45	6%	0.061	24%	0.243	C	C	.	.			trans	-81.1	116.2	-178.2	-61.4	0	0	0	0	111.2	I532 H533 F538 I802 T804	I532-T536 HydrophobicContact CD1-CG2 4.41Å; H533-T536 PolarHBondContact N-OG1 3.45Å; H533-T536 WeakPolarHBondContact O-CB 3.44Å; H533-T536 PolarHBondContact O-N 2.96Å; H533-T536 PolarHBondContact O-OG1 2.82Å; T536-F538 HydrophobicContact CG2-CE2 4.44Å; T536-I802 HydrophobicContact CG2-CG2 3.16Å; T536-T804 PolarHBondContact OG1-OG1 2.86Å
537	D	88.1	Confident	77.9	Confident	89 Å²	89	50.9 Å²	50.9	48%	0.476	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-97.9	125.7	-174.8	-174.8	16.5	0	0	0	111.5	L539 I802 A803	D537-L539 PolarHBondContact O-N 2.84Å; D537-I802 WeakPolarHBondContact O-CA 3.31Å; D537-A803 HydrophobicContact CB-CB 4.36Å; D537-A803 PolarHBondContact N-O 2.81Å; D537-A803 PolarHBondContact O-N 2.88Å
538	F	89.2	Confident	76.2	Confident	27 Å²	27	47 Å²	47	12%	0.118	25%	0.249	C	C	.	.			trans	-91.3	83.8	178.1	-68.8	-98.3	0	0	0	108.9	T536 D540 I802 F864 M867 K868 V871	T536-F538 HydrophobicContact CG2-CE2 4.44Å; F538-D540 CarbonylContact O-C 3.59Å; F538-D540 PolarHBondContact O-N 3.43Å; F538-D540 VanDerWaalsContact O-N 3.09Å; F538-I802 HydrophobicContact CD1-CD1 4.04Å; F538-I802 HydrophobicContact CD1-CG1 3.86Å; F538-I802 HydrophobicContact CE1-CD1 3.55Å; F538-I802 HydrophobicContact CE1-CG1 3.91Å; F538-I802 HydrophobicContact CZ-CD1 4.19Å; F538-F864 HydrophobicContact CD1-CD2 4.15Å; F538-F864 HydrophobicContact CD1-CE2 4.03Å; F538-M867 HydrophobicContact CE1-CB 3.9Å; F538-M867 HydrophobicContact CZ-CB 3.89Å; F538-K868 HydrophobicContact CD1-CD 4.29Å; F538-K868 HydrophobicContact CD1-CG 3.75Å; F538-K868 HydrophobicContact CD2-CG 3.91Å; F538-K868 HydrophobicContact CE1-CG 3.61Å; F538-K868 HydrophobicContact CE2-CG 3.78Å; F538-K868 HydrophobicContact CG-CD 4.29Å; F538-K868 HydrophobicContact CG-CG 3.91Å; F538-K868 HydrophobicContact CZ-CB 4.38Å; F538-K868 HydrophobicContact CZ-CG 3.62Å; F538-V871 HydrophobicContact CE2-CB 4.46Å; F538-V871 HydrophobicContact CE2-CG2 4.01Å; F538-V871 HydrophobicContact CZ-CG2 4.29Å
539	L	81.8	Confident	73.7	Confident	50 Å²	50	53.2 Å²	53.2	26%	0.262	28%	0.277	S	S	.	.	S	Bend	trans	-51.2	-35.5	-175.3	-60.1	-177.9	0	0	0	113.4	D537 V733 F737 R801 A803 V830	D537-L539 PolarHBondContact O-N 2.84Å; L539-V733 HydrophobicContact CD2-CG1 4.27Å; L539-F737 HydrophobicContact CD1-CD2 4.42Å; L539-F737 HydrophobicContact CD1-CE2 3.84Å; L539-R801 HydrophobicContact CB-CB 4.22Å; L539-R801 HydrophobicContact CD1-CB 4.32Å; L539-R801 PolarHBondContact N-O 3.21Å; L539-A803 HydrophobicContact CD1-CB 4.14Å; L539-A803 HydrophobicContact CD2-CB 3.97Å; L539-A803 HydrophobicContact CG-CB 4.01Å; L539-V830 HydrophobicContact CD1-CG1 3.57Å; L539-V830 HydrophobicContact CD1-CG2 4.26Å
540	D	74.8	Confident	71.1	Confident	16 Å²	16	53.2 Å²	53.2	9%	0.086	28%	0.277	C	S	.	.			trans	-87.4	105.3	172.1	-68.9	-33.1	0	0	0	109	F538 Q542 V544 R546 F800 R801 F864	F538-D540 CarbonylContact O-C 3.59Å; F538-D540 PolarHBondContact O-N 3.43Å; F538-D540 VanDerWaalsContact O-N 3.09Å; D540-Q542 VanDerWaalsContact C-N 3.31Å; D540-V544 HydrophobicContact CB-CG2 4.36Å; D540-R546 VanDerWaalsContact CG-NH2 3.33Å; D540-R546 IonicContact OD1-CZ 2.75Å; D540-R546 IonicContact OD1-NH1 3.58Å; D540-R546 IonicContact OD1-NH2 2.7Å; D540-R546 PolarHBondContact OD1-NH2 3.24Å; D540-R546 IonicContact OD2-CZ 2.66Å; D540-R546 IonicContact OD2-NH1 3.52Å; D540-R546 PolarHBondContact OD2-NH1 2.82Å; D540-R546 IonicContact OD2-NH2 2.85Å; D540-R546 PolarHBondContact OD2-NH2 2.93Å; D540-F800 WeakPolarHBondContact OD2-CA 3.26Å; D540-R801 WeakPolarHBondContact OD2-CB 3.19Å; D540-R801 WeakPolarHBondContact OD2-CG 3.48Å; D540-R801 PolarHBondContact OD2-N 2.79Å; D540-F864 WeakPolarHBondContact O-CE2 3.31Å; D540-F864 VanDerWaalsContact O-CZ 3.27Å; D540-F864 WeakPolarHBondContact O-CZ 3.37Å
541	S	54.1	Low	68.1	Low	99 Å²	99	57.4 Å²	57.4	69%	0.692	31%	0.307	S	S	*	.	S	Bend	trans	-66.4	-36.9	179.1	56.7	0	0	0	0	111.9
542	Q	55.3	Low	65.1	Low	60 Å²	60	63 Å²	63	28%	0.28	34%	0.34	S	S	.	.	S	Bend	trans	-124.6	156.7	166.6	-60.6	-178.3	4.7	0	0	108.7	D540 M746	D540-Q542 VanDerWaalsContact C-N 3.31Å; Q542-M746 VanDerWaalsContact NE2-N 3.2Å; Q542-M746 PolarHBondContact NE2-O 2.87Å
543	L	61.4	Low	62	Low	41 Å²	41	67.9 Å²	67.9	22%	0.215	38%	0.375	C	S	.	.			trans	-63.3	142.3	178.1	-73.4	143.5	0	0	0	111.3	L798 F800 T860 I861 F864	L543-L798 HydrophobicContact CB-CD1 3.72Å; L543-L798 HydrophobicContact CB-CD2 4.32Å; L543-L798 HydrophobicContact CB-CG 3.96Å; L543-L798 HydrophobicContact CD1-CD2 4.31Å; L543-L798 HydrophobicContact CD2-CD2 4.49Å; L543-L798 HydrophobicContact CD2-CG 4.23Å; L543-F800 HydrophobicContact CD2-CB 3.82Å; L543-F800 HydrophobicContact CD2-CD1 3.72Å; L543-F800 HydrophobicContact CD2-CG 4.21Å; L543-T860 HydrophobicContact CD2-CG2 3.77Å; L543-I861 HydrophobicContact CD1-CB 4.24Å; L543-I861 HydrophobicContact CD1-CG1 3.49Å; L543-I861 VanDerWaalsContact CD1-CG1 3.49Å; L543-F864 HydrophobicContact CD1-CB 4.5Å; L543-F864 HydrophobicContact CD1-CD1 4.01Å; L543-F864 HydrophobicContact CD1-CE1 4.47Å; L543-F864 HydrophobicContact CD1-CG 4.44Å; L543-F864 HydrophobicContact CD2-CB 4.3Å; L543-F864 HydrophobicContact CD2-CG 4.33Å; L543-F864 HydrophobicContact CG-CD1 4.12Å; L543-F864 HydrophobicContact CG-CE1 4.31Å; L543-F864 HydrophobicContact CG-CG 4.31Å
544	V	64.1	Low	59	Low	51 Å²	51	76 Å²	76	31%	0.309	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121	-173.3	-172.8	0	0	0	0	109.8	D540 R546 T799	D540-V544 HydrophobicContact CB-CG2 4.36Å; V544-R546 HydrophobicContact CB-CG 4.26Å; V544-R546 HydrophobicContact CG1-CG 3.81Å; V544-R546 PolarHBondContact O-N 2.86Å; V544-T799 PolarHBondContact N-O 2.9Å; V544-T799 PolarHBondContact O-N 2.76Å; V544-T799 PolarHBondContact O-OG1 2.83Å
545	L	60.6	Low	56.1	Low	82 Å²	82	84 Å²	84	43%	0.429	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	115.5	163.7	-82.7	165.4	0	0	0	108.7	Q796 L797 L798	L545-Q796 HydrophobicContact CB-CB 4.41Å; L545-Q796 HydrophobicContact CD2-CB 3.99Å; L545-L797 CarbonylContact C-O 3.52Å; L545-L797 WeakPolarHBondContact CA-O 3.42Å; L545-L798 HydrophobicContact CG-CD1 4.23Å
546	R	62.8	Low	53.2	Low	43 Å²	43	85.7 Å²	85.7	16%	0.162	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	128.2	179.1	-68.9	-170.7	176	108.5	-0.4	110.3	D540 V544 T548 L797 T799 R801 E832	D540-R546 VanDerWaalsContact CG-NH2 3.33Å; D540-R546 IonicContact OD1-CZ 2.75Å; D540-R546 IonicContact OD1-NH1 3.58Å; D540-R546 IonicContact OD1-NH2 2.7Å; D540-R546 PolarHBondContact OD1-NH2 3.24Å; D540-R546 IonicContact OD2-CZ 2.66Å; D540-R546 IonicContact OD2-NH1 3.52Å; D540-R546 PolarHBondContact OD2-NH1 2.82Å; D540-R546 IonicContact OD2-NH2 2.85Å; D540-R546 PolarHBondContact OD2-NH2 2.93Å; V544-R546 HydrophobicContact CB-CG 4.26Å; V544-R546 HydrophobicContact CG1-CG 3.81Å; V544-R546 PolarHBondContact O-N 2.86Å; R546-T548 PolarHBondContact O-N 3.48Å; R546-L797 PolarHBondContact N-O 2.58Å; R546-L797 PolarHBondContact O-N 2.7Å; R546-T799 HydrophobicContact CB-CG2 4.33Å; R546-T799 VanDerWaalsContact CD-OG1 3.26Å; R546-T799 WeakPolarHBondContact CD-OG1 3.22Å; R546-T799 WeakPolarHBondContact CG-OG1 3.4Å; R546-T799 PolarHBondContact NH1-OG1 2.83Å; R546-R801 VanDerWaalsContact CZ-NE 3.35Å; R546-E832 VanDerWaalsContact CD-OE1 3.3Å; R546-E832 WeakPolarHBondContact CD-OE1 3.48Å; R546-E832 IonicContact CZ-OE1 3.99Å; R546-E832 IonicContact NE-OE1 2.64Å; R546-E832 IonicContact NH1-OE1 1.81Å; R546-E832 PolarHBondContact NH1-OE1 2.96Å
547	Q	53.3	Low	50.2	Low	134 Å²	134	92.9 Å²	92.9	63%	0.626	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	107.2	169.9	-156.8	154.4	-25.6	0	0	107.8	E549 Q796	Q547-E549 PolarHBondContact O-N 3.45Å; Q547-Q796 HydrophobicContact CB-CG 4.02Å; Q547-Q796 HydrophobicContact CG-CG 4.22Å; Q547-Q796 VanDerWaalsContact OE1-NE2 3.13Å
548	T	47.4	Very low	47.4	Very low	20 Å²	20	98 Å²	98	12%	0.123	51%	0.512	C	S	.	.			trans	-91.1	83.1	-175.6	48.8	0	0	0	0	111.1	R546 L550 L797	R546-T548 PolarHBondContact O-N 3.48Å; T548-L550 PolarHBondContact O-N 2.74Å; T548-L550 VanDerWaalsContact O-N 3.17Å; T548-L797 HydrophobicContact CG2-CD1 4.1Å; T548-L797 WeakPolarHBondContact OG1-CD1 3.42Å
549	E	35.9	Very low	44.4	Very low	169 Å²	169	101.9 Å²	101.9	79%	0.79	54%	0.543	S	S	*	.			trans	-64.9	113.7	168.7	-66.8	-174.9	169.6	0	0	110.1	Q547	Q547-E549 PolarHBondContact O-N 3.45Å
550	L	35.9	Very low	42	Very low	54 Å²	54	104.3 Å²	104.3	28%	0.283	56%	0.564	S	S	.	*			trans	-90.2	122.5	165.3	-68.2	175.5	0	0	0	107.9	P396 T548 V552	P396-L550 HydrophobicContact CB-CD2 4.16Å; T548-L550 PolarHBondContact O-N 2.74Å; T548-L550 VanDerWaalsContact O-N 3.17Å; L550-V552 PolarHBondContact O-N 2.75Å
551	S	29.9	Very low	39.8	Very low	88 Å²	88	110.3 Å²	110.3	62%	0.615	60%	0.596	S	S	*	*			trans	-71	111.6	-175.9	14.1	0	0	0	0	110.8	S553	S551-S553 PolarHBondContact O-N 2.86Å
552	V	29.1	Very low	38.8	Very low	126 Å²	126	113.2 Å²	113.2	76%	0.764	60%	0.602	S	S	*	*			trans	-65.7	115.3	168.2	178.7	0	0	0	0	108.2	L550 Q554	L550-V552 PolarHBondContact O-N 2.75Å; V552-Q554 VanDerWaalsContact C-N 3.25Å; V552-Q554 HydrophobicContact CG1-CG 4.22Å; V552-Q554 PolarHBondContact O-N 2.91Å
553	S	25.4	Very low	37.7	Very low	103 Å²	103	115.9 Å²	115.9	72%	0.72	63%	0.627	S	S	*	*			trans	-76	80.9	171.2	-167.6	0	0	0	0	109.6	S551 R555	S551-S553 PolarHBondContact O-N 2.86Å; S553-R555 VanDerWaalsContact C-N 3.31Å; S553-R555 PolarHBondContact O-N 2.8Å
554	Q	26.8	Very low	36.2	Very low	178 Å²	178	116.9 Å²	116.9	83%	0.832	65%	0.647	S	S	*	*			trans	-65.2	95.4	162.1	-82.8	-173.7	-33.9	0	0	108.4	V552	V552-Q554 VanDerWaalsContact C-N 3.25Å; V552-Q554 HydrophobicContact CG1-CG 4.22Å; V552-Q554 PolarHBondContact O-N 2.91Å
555	R	26.5	Very low	34.8	Very low	229 Å²	229	122.3 Å²	122.3	86%	0.864	68%	0.675	S	S	*	*			trans	-69.8	127.3	162	-77	-173.9	173.7	179.6	-1.4	108.2	S553 N557	S553-R555 VanDerWaalsContact C-N 3.31Å; S553-R555 PolarHBondContact O-N 2.8Å; R555-N557 PolarHBondContact O-N 2.83Å
556	T	25.5	Very low	33.4	Very low	130 Å²	130	125 Å²	125	80%	0.798	69%	0.689	S	S	*	*			trans	-56.7	129.1	173.8	48.8	0	0	0	0	111.2
557	N	26.1	Very low	32	Very low	161 Å²	161	133 Å²	133	86%	0.861	73%	0.726	S	S	*	*			trans	-161.2	85	157.3	-105.1	-5.5	0	0	0	108.9	R555	R555-N557 PolarHBondContact O-N 2.83Å
558	E	28.7	Very low	31	Very low	197 Å²	197	133 Å²	133	92%	0.921	73%	0.73	S	S	*	*			trans	-163.1	117.2	147.6	-116.1	164.9	-134.9	0	0	109.2
559	S	27.3	Very low	30.5	Very low	109 Å²	109	141.3 Å²	141.3	76%	0.762	76%	0.764	S	S	*	*			trans	-144.3	135.2	173.2	58.8	0	0	0	0	108.2
560	S	30.4	Very low	30.4	Very low	101 Å²	101	137.6 Å²	137.6	71%	0.706	76%	0.757	S	S	*	*			trans	66.4	141.4	-166	90.3	0	0	0	0	112.6
561	N	29.5	Very low	30.3	Very low	141 Å²	141	141.6 Å²	141.6	75%	0.754	78%	0.779	S	S	*	*			cis	-163.7	166.8	22.4	-123.6	-24.2	0	0	0	113.2
562	I	32.8	Very low	30.4	Very low	160 Å²	160	145.3 Å²	145.3	82%	0.821	79%	0.786	S	S	*	*			trans	80.5	145.3	159.2	-64.1	156.1	0	0	0	118.3
563	S	31.7	Very low	30.4	Very low	116 Å²	116	144.4 Å²	144.4	81%	0.811	79%	0.785	S	S	*	*			trans	-103	166.3	-170	51.7	0	0	0	0	113.9
564	G	30.8	Very low	30.8	Very low	62 Å²	62	144.4 Å²	144.4	64%	0.639	78%	0.784	S	S	*	*			trans	172.2	90.7	163.6	0	0	0	0	0	118.3
565	N	33.8	Very low	31	Very low	166 Å²	166	143.6 Å²	143.6	89%	0.888	78%	0.784	S	S	*	*			trans	68.4	135.6	152	-57.5	-10.4	0	0	0	121.4
566	D	30.8	Very low	31.4	Very low	137 Å²	137	138.2 Å²	138.2	73%	0.733	78%	0.781	S	S	*	*			trans	-82.3	169.1	177.2	-41.7	-95.3	0	0	0	114.1
567	F	34.1	Very low	31.6	Very low	212 Å²	212	137.6 Å²	137.6	93%	0.93	78%	0.782	S	S	*	*			trans	-147.9	148	131.6	-112.2	-74.9	0	0	0	112.1
568	N	32.9	Very low	32.2	Very low	133 Å²	133	135.4 Å²	135.4	71%	0.711	78%	0.777	S	S	*	*			trans	-94.8	155.5	-156.8	-72.7	-75.1	0	0	0	116.5
569	K	36.1	Very low	32.4	Very low	196 Å²	196	135.8 Å²	135.8	85%	0.852	78%	0.776	S	S	*	*			trans	-175.1	105.4	133.9	-99.1	166.5	-177.9	-179.2	0	109.3
570	S	35	Very low	32.5	Very low	90 Å²	90	137.5 Å²	137.5	63%	0.629	78%	0.776	S	S	*	*				74.1	117.7	81.1	72.8	0	0	0	0	112.6
571	N	33.3	Very low	32.6	Very low	138 Å²	138	140.7 Å²	140.7	74%	0.738	79%	0.786	S	S	*	*			cis	-131.8	-157.3	7	-79.6	-12.7	0	0	0	109.3
572	E	31.8	Very low	32.6	Very low	166 Å²	166	142.5 Å²	142.5	78%	0.776	79%	0.787	S	S	*	*			cis	-157.3	-160	10.4	-152.8	137.9	-87.7	0	0	113.3
573	C	28.8	Very low	33	Very low	108 Å²	108	140.8 Å²	140.8	73%	0.73	79%	0.786	S	S	*	*			trans	-63.6	154.1	-171.7	-62.4	0	0	0	0	114.7
574	S	34	Very low	32.9	Very low	102 Å²	102	141.7 Å²	141.7	71%	0.713	78%	0.781	S	S	*	*			cis	-156.1	141.2	41.4	-53	0	0	0	0	115.5
575	I	31.7	Very low	33.1	Very low	161 Å²	161	143.5 Å²	143.5	83%	0.826	78%	0.784	S	S	*	*				38	126.1	127.6	-53.7	171.5	0	0	0	117.1
576	S	33.2	Very low	33	Very low	116 Å²	116	142.8 Å²	142.8	81%	0.811	78%	0.781	S	S	*	*			cis	-149.4	173.3	25.9	39.5	0	0	0	0	115.3
577	S	31.3	Very low	33.1	Very low	117 Å²	117	142.1 Å²	142.1	82%	0.818	78%	0.781	S	S	*	*			trans	-77.7	168.9	-169.3	-45.1	0	0	0	0	116.8
578	P	37.8	Very low	33.1	Very low	115 Å²	115	141 Å²	141	75%	0.747	78%	0.776	S	S	*	*			trans	-106.2	-178.3	-162	42.4	-37.2	0	0	0	115.4
579	K	33.3	Very low	32.8	Very low	206 Å²	206	140 Å²	140	90%	0.896	78%	0.779	S	S	*	*			trans	-143.3	130.3	148.7	-74.6	-162.4	175.5	-169.9	0	111.4
580	D	28.6	Very low	32.6	Very low	144 Å²	144	139.5 Å²	139.5	77%	0.77	78%	0.779	S	S	*	*			trans	-78.9	151.9	154.3	-67.9	-79.9	0	0	0	109.9
581	D	33.8	Very low	32.4	Very low	169 Å²	169	143.4 Å²	143.4	90%	0.904	79%	0.786	S	S	*	*				-170.8	154.6	120	-106.7	-37.1	0	0	0	112.6
582	K	28.8	Very low	32.2	Very low	179 Å²	179	140.6 Å²	140.6	78%	0.778	78%	0.783	S	S	*	*			trans	-104	178	178.5	-114.3	179.3	-177.6	174.7	0	109.6
583	P	41.6	Very low	31.9	Very low	123 Å²	123	140 Å²	140	80%	0.799	79%	0.785	S	S	*	*			cis	-146.5	-169.9	36	42.2	-19.5	0	0	0	117.6
584	N	30	Very low	31.9	Very low	135 Å²	135	140.3 Å²	140.3	72%	0.722	78%	0.783	S	S	*	*			trans	-72.6	161	-178	-29.2	-41.1	0	0	0	113.9
585	S	35	Very low	31.7	Very low	100 Å²	100	142.9 Å²	142.9	70%	0.699	79%	0.789	S	S	*	*				177.6	139.1	111.3	55.3	0	0	0	0	113.1
586	D	31.4	Very low	31.4	Very low	152 Å²	152	145.1 Å²	145.1	81%	0.813	79%	0.788	S	S	*	*			trans	49.8	145.5	138.7	-55.9	-13.8	0	0	0	121.2
587	V	33.3	Very low	31.1	Very low	123 Å²	123	144.9 Å²	144.9	75%	0.745	78%	0.782	S	S	*	*			cis	-156.5	145.4	1.8	110.6	0	0	0	0	106.5
588	K	32.6	Very low	30.9	Very low	187 Å²	187	144.1 Å²	144.1	81%	0.813	78%	0.776	S	S	*	*				176.9	151.9	86.3	-153.6	160.4	-168.5	174.1	0	110.3
589	C	27.9	Very low	30.4	Very low	114 Å²	114	145.3 Å²	145.3	77%	0.77	78%	0.776	S	S	*	*			trans	-106.5	166.4	178.8	-52.2	0	0	0	0	112.8
590	H	32.4	Very low	30.3	Very low	184 Å²	184	141.8 Å²	141.8	85%	0.852	77%	0.767	S	S	*	*			trans	-165.8	160.2	131.8	-101.1	-63.9	0	0	0	113.2
591	H	29.6	Very low	30.3	Very low	172 Å²	172	140.7 Å²	140.7	80%	0.796	76%	0.761	S	S	*	*			trans	-69.6	160.2	178.5	-73.9	-106.2	0	0	0	112.3
592	A	28.6	Very low	30.2	Very low	80 Å²	80	140.8 Å²	140.8	66%	0.661	75%	0.753	S	S	*	*			cis	103.7	137.6	21.1	0	0	0	0	0	115.8
593	D	26.7	Very low	30.3	Very low	153 Å²	153	142.5 Å²	142.5	82%	0.818	76%	0.755	S	S	*	*			trans	79.5	134.5	160.6	-73.5	-32.9	0	0	0	125.2
594	V	28.8	Very low	29.8	Very low	114 Å²	114	142.5 Å²	142.5	69%	0.691	75%	0.747	S	S	*	*			trans	67.6	111.6	144.3	172.4	0	0	0	0	120.6
595	N	29.7	Very low	29.7	Very low	157 Å²	157	145.1 Å²	145.1	84%	0.84	75%	0.752	S	S	*	*				-175.8	178.9	104	-120	-43.1	0	0	0	117.8
596	Y	26.1	Very low	29.4	Very low	207 Å²	207	145.1 Å²	145.1	81%	0.812	75%	0.752	S	S	*	*			trans	-83.2	139.5	-168.9	-119.2	-130	0	0	0	117.5
597	V	25.9	Very low	29.3	Very low	111 Å²	111	141.8 Å²	141.8	67%	0.673	75%	0.746	S	S	*	*				59.5	145.4	124.4	172.9	0	0	0	0	123.3
598	S	27.6	Very low	29.1	Very low	101 Å²	101	143.4 Å²	143.4	71%	0.706	75%	0.749	S	S	*	*			trans	78.6	149.8	161.1	-80.8	0	0	0	0	119.7
599	L	27.5	Very low	28.8	Very low	141 Å²	141	141.3 Å²	141.3	74%	0.738	75%	0.746	S	S	*	*			cis	-163.6	-174.5	-28.7	-146.2	114.6	0	0	0	109.4
600	D	29.8	Very low	28.9	Very low	132 Å²	132	141.5 Å²	141.5	71%	0.706	74%	0.743	S	S	*	*			trans	72.7	151.1	165.6	-80.1	-19.3	0	0	0	119.8
601	N	28.9	Very low	28.7	Very low	120 Å²	120	137.3 Å²	137.3	64%	0.642	74%	0.735	S	S	*	*			cis	-166.4	171.5	-37.6	-141.5	-54.6	0	0	0	111.1
602	K	31.6	Very low	28.6	Very low	171 Å²	171	133.9 Å²	133.9	74%	0.743	73%	0.729	S	S	*	*			trans	72	118.3	167.3	-66.9	164.4	-174.9	166.3	0	115.8
603	R	30.7	Very low	28.6	Very low	216 Å²	216	137.4 Å²	137.4	82%	0.815	74%	0.736	S	S	*	*				78.1	144.6	73.6	-75.3	-178.7	-165.3	-167.9	4.5	112.1
604	I	31.2	Very low	28.8	Very low	122 Å²	122	134.4 Å²	134.4	63%	0.626	73%	0.727	S	S	*	*			cis	-161.2	139.2	22.2	-127.4	154.6	0	0	0	110.5
605	F	28.7	Very low	28.9	Very low	191 Å²	191	136 Å²	136	84%	0.838	73%	0.732	S	S	*	*			trans	59.5	163.3	150.8	-75.7	-127.4	0	0	0	119.2
606	S	29	Very low	29	Very low	100 Å²	100	133.6 Å²	133.6	70%	0.699	73%	0.728	S	S	*	*			cis	162.4	156	-15.3	66.6	0	0	0	0	106
607	A	28.2	Very low	29.4	Very low	82 Å²	82	129 Å²	129	68%	0.678	73%	0.726	S	S	*	*			cis	-174.8	-179	-12	0	0	0	0	0	108.9
608	I	29.7	Very low	29.8	Very low	157 Å²	157	128.8 Å²	128.8	81%	0.805	73%	0.729	S	S	*	*			trans	73.6	114.6	162.7	-67.2	155.7	0	0	0	114.6
609	D	26.4	Very low	30.2	Very low	143 Å²	143	128.7 Å²	128.7	77%	0.765	73%	0.729	S	S	*	*				78.4	133.2	54.8	-160.9	48.3	0	0	0	111.7
610	V	29.4	Very low	30.4	Very low	117 Å²	117	128.2 Å²	128.2	71%	0.709	73%	0.727	S	S	*	*				-155.4	-179.6	73.5	169.3	0	0	0	0	111.9
611	S	28	Very low	30.6	Very low	97 Å²	97	127.2 Å²	127.2	68%	0.678	72%	0.721	S	S	*	*			trans	-67.2	-170.8	-178.7	64.7	0	0	0	0	117.4
612	C	28.9	Very low	30.8	Very low	99 Å²	99	129.6 Å²	129.6	67%	0.669	73%	0.729	S	S	*	*			cis	-171	155.2	27.4	-136.7	0	0	0	0	115.1
613	L	28.1	Very low	30.8	Very low	154 Å²	154	125.7 Å²	125.7	81%	0.806	72%	0.723	S	S	*	*			trans	64.4	165.3	156.2	-60	164.5	0	0	0	118.8
614	S	30.1	Very low	30.8	Very low	91 Å²	91	125.1 Å²	125.1	64%	0.636	72%	0.722	S	S	*	*			cis	-157.8	160.6	11.8	-16.2	0	0	0	0	114.5
615	N	31	Very low	30.9	Very low	146 Å²	146	124.6 Å²	124.6	78%	0.781	72%	0.724	S	S	*	*			trans	66.2	123.5	144.1	-62.8	-0.8	0	0	0	120.9
616	S	31.5	Very low	31	Very low	108 Å²	108	120.9 Å²	120.9	76%	0.755	72%	0.718	S	S	*	*				94.6	147.6	61.5	86.3	0	0	0	0	112.7
617	S	34.5	Very low	31.1	Very low	110 Å²	110	125 Å²	125	77%	0.769	73%	0.726	S	S	*	*			cis	-155.5	-171.8	-1.5	65	0	0	0	0	107.5
618	S	34.8	Very low	30.8	Very low	106 Å²	106	125.8 Å²	125.8	74%	0.741	73%	0.727	S	S	*	*			cis	-141.8	-141.1	4.9	39.4	0	0	0	0	107.3
619	S	35.5	Very low	30.6	Very low	100 Å²	100	126.9 Å²	126.9	70%	0.699	73%	0.726	S	S	*	*			cis	-165.3	175	-2.3	62.8	0	0	0	0	106.8
620	N	32.7	Very low	30.6	Very low	131 Å²	131	129 Å²	129	70%	0.701	73%	0.728	S	S	*	*			cis	-157.8	175.1	-17.2	-124.3	50.2	0	0	0	111
621	D	33	Very low	30.4	Very low	110 Å²	110	128.4 Å²	128.4	59%	0.588	73%	0.73	S	S	*	*			trans	51.1	115.1	152.8	-69.1	-52	0	0	0	125.6
622	Q	33.7	Very low	30.4	Very low	171 Å²	171	128.3 Å²	128.3	80%	0.799	73%	0.734	S	S	*	*				67.9	138.7	125.4	-64.5	178.7	57.6	0	0	121.4
623	S	30.7	Very low	30.4	Very low	88 Å²	88	131.6 Å²	131.6	62%	0.615	75%	0.745	S	S	*	*			cis	-167.2	169.8	-7.4	55.5	0	0	0	0	114.3
624	Y	32.6	Very low	30.4	Very low	205 Å²	205	131.6 Å²	131.6	80%	0.804	74%	0.739	S	S	*	*			trans	69.1	107.5	157.3	-67.4	-62.7	0	0	0	124
625	T	31.6	Very low	30.7	Very low	110 Å²	110	133.2 Å²	133.2	68%	0.675	75%	0.747	S	S	*	*			trans	70.1	94	133.6	47.8	0	0	0	0	122.8
626	T	32.6	Very low	30.6	Very low	114 Å²	114	129.4 Å²	129.4	70%	0.699	74%	0.743	S	S	*	*				45.4	140.7	109	57.5	0	0	0	0	121.9
627	Q	29.9	Very low	30.5	Very low	186 Å²	186	131 Å²	131	87%	0.869	74%	0.742	S	S	*	*			cis	-176.8	145.1	-21.8	-129.2	176.7	19.7	0	0	108.4
628	S	22.3	Very low	30.2	Very low	99 Å²	99	131.8 Å²	131.8	69%	0.692	74%	0.737	S	S	*	*			trans	-154.1	121.5	159.2	80	0	0	0	0	114.1
629	F	25.2	Very low	29.9	Very low	179 Å²	179	133.8 Å²	133.8	79%	0.785	74%	0.739	S	S	*	*			trans	69.6	151.7	158.3	-64.2	-76.4	0	0	0	123
630	F	26.5	Very low	29.6	Very low	187 Å²	187	140.1 Å²	140.1	82%	0.82	75%	0.75	S	S	*	*			trans	86.3	102.4	153.1	-61	-54.8	0	0	0	123.1
631	S	25.3	Very low	29.5	Very low	106 Å²	106	142.8 Å²	142.8	74%	0.741	76%	0.758	S	S	*	*				71.9	90.1	114.8	-170.6	0	0	0	0	120.6
632	A	27.7	Very low	29.3	Very low	94 Å²	94	142 Å²	142	78%	0.777	76%	0.761	S	S	*	*				38.3	135.3	119.6	0	0	0	0	0	121.5
633	N	29.3	Very low	29	Very low	168 Å²	168	140.3 Å²	140.3	90%	0.898	76%	0.762	S	S	*	*			trans	-139.4	168.1	150.3	-129.9	-30.4	0	0	0	113.1
634	K	27.9	Very low	28.8	Very low	154 Å²	154	142 Å²	142	67%	0.67	76%	0.764	S	S	*	*			trans	-91.5	178.1	-164.5	-104.5	179.7	-179.6	-177.8	0	113.6
635	P	37.1	Very low	28.6	Very low	125 Å²	125	139 Å²	139	81%	0.812	76%	0.762	S	S	*	*			cis	-142	-166	30.7	42.1	-20.2	0	0	0	117.6
636	G	27.7	Very low	28.4	Very low	67 Å²	67	140.5 Å²	140.5	69%	0.691	76%	0.764	S	S	*	*			trans	-88.3	-165.9	169.9	0	0	0	0	0	113.3
637	L	29.2	Very low	28.3	Very low	140 Å²	140	141.9 Å²	141.9	73%	0.733	77%	0.767	S	S	*	*			cis	-158.2	155.8	28.6	-93.2	163	0	0	0	113.4
638	L	29.3	Very low	28.2	Very low	128 Å²	128	138.9 Å²	138.9	67%	0.67	76%	0.757	S	S	*	*			trans	67.6	128.3	149.9	-74	164.9	0	0	0	121.5
639	N	27.8	Very low	28.5	Very low	147 Å²	147	141.5 Å²	141.5	79%	0.786	76%	0.762	S	S	*	*			trans	-84.3	162.1	165.7	-62.2	-4.6	0	0	0	112.3
640	Y	28.5	Very low	28.7	Very low	233 Å²	233	137 Å²	137	91%	0.914	75%	0.753	S	S	*	*			trans	-124.3	168.4	142.1	-99.8	-86.8	0	0	0	110.1
641	Q	31.8	Very low	29	Very low	187 Å²	187	137 Å²	137	87%	0.874	75%	0.753	S	S	*	*			trans	-95.4	138.8	-166.5	-68.2	172.3	-107	0	0	114.3
642	S	29	Very low	29.3	Very low	94 Å²	94	137.2 Å²	137.2	66%	0.657	75%	0.75	S	S	*	*			trans	11.7	131.1	140.1	-175.3	0	0	0	0	120
643	V	27.1	Very low	29.4	Very low	135 Å²	135	140.8 Å²	140.8	82%	0.818	75%	0.75	S	S	*	*				-147	157.1	110.8	178.1	0	0	0	0	108.8
644	D	27	Very low	29.5	Very low	125 Å²	125	141 Å²	141	67%	0.668	75%	0.745	S	S	*	*			trans	-85.2	173.4	-166.6	-43	-97.1	0	0	0	117.6
645	N	28.3	Very low	29.6	Very low	141 Å²	141	142.6 Å²	142.6	75%	0.754	75%	0.753	S	S	*	*			trans	142	125.4	147.5	-74	-56.3	0	0	0	110.4
646	I	27.8	Very low	29.3	Very low	141 Å²	141	141.3 Å²	141.3	72%	0.723	74%	0.742	S	S	*	*				74.2	106.1	52.5	-60.7	171	0	0	0	113.1
647	L	28.7	Very low	29.3	Very low	143 Å²	143	146 Å²	146	75%	0.749	75%	0.746	S	S	*	*				169.8	172.1	113.9	-146.9	67.7	0	0	0	113.1
648	D	28.9	Very low	29.2	Very low	123 Å²	123	147.8 Å²	147.8	66%	0.658	75%	0.748	S	S	*	*			trans	68.9	135.4	164.4	-64.1	-17.5	0	0	0	120.2
649	L	28.5	Very low	29.2	Very low	154 Å²	154	152.2 Å²	152.2	81%	0.806	76%	0.756	S	S	*	*			cis	84.4	132.6	36.8	-71.6	154.6	0	0	0	113.2
650	S	30	Very low	29.2	Very low	84 Å²	84	148.8 Å²	148.8	59%	0.587	76%	0.756	S	S	*	*			cis	-164.9	167.3	-1.1	63.7	0	0	0	0	113.3
651	K	32.1	Very low	29.2	Very low	189 Å²	189	146.5 Å²	146.5	82%	0.822	75%	0.75	S	S	*	*			trans	72.7	157.5	165.9	-56.4	171.2	-175.4	176.6	0	116
652	T	31.1	Very low	29.2	Very low	110 Å²	110	142.7 Å²	142.7	68%	0.675	74%	0.74	S	S	*	*			cis	-153.2	143.9	16.7	-24.6	0	0	0	0	112.7
653	E	31	Very low	29.3	Very low	169 Å²	169	145 Å²	145	79%	0.79	75%	0.745	S	S	*	*			trans	32.6	158.7	143.1	-72	161.2	-137.7	0	0	124.9
654	H	29.9	Very low	29.6	Very low	171 Å²	171	146 Å²	146	79%	0.792	74%	0.744	S	S	*	*			cis	-175.1	-169.7	-35.1	-124	-71.6	0	0	0	110.2
655	F	30.1	Very low	29.9	Very low	189 Å²	189	147.3 Å²	147.3	83%	0.829	75%	0.75	S	S	*	*			trans	93.6	138.3	174.9	-80	-114.1	0	0	0	118.4
656	V	31.4	Very low	29.9	Very low	97 Å²	97	149.7 Å²	149.7	59%	0.588	75%	0.754	S	S	*	*			cis	-165.1	149	-20.4	83.2	0	0	0	0	113
657	H	27.1	Very low	30.1	Very low	167 Å²	167	147.6 Å²	147.6	77%	0.773	75%	0.752	S	S	*	*				-164	157.9	121.7	-127.3	-81.5	0	0	0	115.1
658	F	27.4	Very low	30.2	Very low	177 Å²	177	148.3 Å²	148.3	78%	0.776	76%	0.755	S	S	*	*			trans	-163.2	178.4	-165.4	-114.7	-82.2	0	0	0	108.4
659	R	29.3	Very low	30.1	Very low	220 Å²	220	146.5 Å²	146.5	83%	0.83	75%	0.752	S	S	*	*			cis	-166.1	120.4	12.6	-173	178.4	-167	-177.9	5.3	114.4
660	G	27.5	Very low	30.1	Very low	76 Å²	76	146 Å²	146	78%	0.784	75%	0.75	S	S	*	*			trans	84	-176.4	158.8	0	0	0	0	0	118
661	K	29.9	Very low	30.1	Very low	184 Å²	184	149.1 Å²	149.1	80%	0.8	76%	0.761	S	S	*	*			cis	-169.2	150.8	5.5	-124.7	-172.5	-179.4	-176.2	0	113.1
662	T	31.8	Very low	30	Very low	107 Å²	107	146.4 Å²	146.4	66%	0.656	76%	0.76	S	S	*	*			trans	62.8	154	148.8	53.6	0	0	0	0	122
663	N	31.2	Very low	29.8	Very low	142 Å²	142	148.5 Å²	148.5	76%	0.759	77%	0.766	S	S	*	*			cis	-171.6	-172.6	-17.1	-102.6	3.3	0	0	0	111.2
664	I	33.4	Very low	29.6	Very low	157 Å²	157	144.8 Å²	144.8	81%	0.805	76%	0.759	S	S	*	*			trans	98.8	128.6	160	-61.1	174.8	0	0	0	115.5
665	L	31.9	Very low	29.4	Very low	153 Å²	153	144.4 Å²	144.4	80%	0.801	76%	0.757	S	S	*	*			cis	-159.2	175.7	-8.1	-121.6	-179.3	0	0	0	113.4
666	K	28.8	Very low	29.3	Very low	190 Å²	190	143.2 Å²	143.2	83%	0.826	75%	0.752	S	S	*	*			trans	81.1	138.1	170.6	-65.6	-173.3	177.3	-178.8	0	118.1
667	S	32.6	Very low	29.1	Very low	97 Å²	97	146.8 Å²	146.8	68%	0.678	76%	0.762	S	S	*	*			cis	-166.9	137.7	-17.3	46.6	0	0	0	0	114.2
668	L	30.4	Very low	29.1	Very low	158 Å²	158	143 Å²	143	83%	0.827	76%	0.76	S	S	*	*			trans	57.8	99.7	148.5	-88.4	77.1	0	0	0	122.8
669	S	26.7	Very low	29.2	Very low	85 Å²	85	138.6 Å²	138.6	59%	0.594	76%	0.757	S	S	*	*				66.2	125.3	106.2	73.7	0	0	0	0	124.3
670	N	29.4	Very low	29.1	Very low	143 Å²	143	132.8 Å²	132.8	77%	0.765	75%	0.749	S	S	*	*			trans	120.5	128.4	130.3	-70.4	-13.6	0	0	0	121
671	N	29.1	Very low	29.2	Very low	150 Å²	150	136 Å²	136	80%	0.802	75%	0.747	S	S	*	*			trans	90.3	145.8	146.4	-66.7	-8.7	0	0	0	123.5
672	V	29.1	Very low	29.3	Very low	133 Å²	133	133 Å²	133	81%	0.806	74%	0.744	S	S	*	*			trans	73.4	75.4	165.8	-153.3	0	0	0	0	120.3
673	L	28.6	Very low	29.4	Very low	153 Å²	153	137 Å²	137	80%	0.801	75%	0.753	S	S	*	*				38.7	117.9	106	-146.2	80.2	0	0	0	121.5
674	S	25.3	Very low	29.6	Very low	91 Å²	91	134.7 Å²	134.7	64%	0.636	75%	0.748	S	S	*	*			trans	42.9	141	140	78.9	0	0	0	0	125.3
675	Q	25.7	Very low	29.7	Very low	164 Å²	164	135.2 Å²	135.2	77%	0.766	75%	0.752	S	S	*	*			trans	78.2	153.9	151.1	-72	-174.8	-4.1	0	0	120.3
676	F	29.6	Very low	29.7	Very low	163 Å²	163	131.1 Å²	131.1	72%	0.715	75%	0.746	S	S	*	*			trans	52.6	110.6	172.8	-67.2	-75.8	0	0	0	117.2
677	E	25.4	Very low	29.8	Very low	172 Å²	172	127.5 Å²	127.5	80%	0.804	75%	0.745	S	S	*	*				91.9	153.5	69.4	-174.7	169.9	-114.5	0	0	112.2
678	A	28.2	Very low	29.8	Very low	87 Å²	87	128.6 Å²	128.6	72%	0.719	75%	0.753	S	S	*	*			trans	73.1	116.3	170.4	0	0	0	0	0	119.6
679	A	28.5	Very low	30.3	Very low	86 Å²	86	126.8 Å²	126.8	71%	0.711	75%	0.751	S	S	*	*				75.9	103.1	122.6	0	0	0	0	0	121.8
680	S	28.7	Very low	30.6	Very low	97 Å²	97	128.2 Å²	128.2	68%	0.678	76%	0.76	S	S	*	*				92.2	125.5	103	-69.8	0	0	0	0	123.2
681	I	29.7	Very low	30.8	Very low	145 Å²	145	127.4 Å²	127.4	74%	0.744	76%	0.76	S	S	*	*				65.6	113.3	129.2	-52.4	164.5	0	0	0	116.2
682	T	31.5	Very low	30.7	Very low	119 Å²	119	129.5 Å²	129.5	73%	0.73	76%	0.763	S	S	*	*				178.5	159.3	92.3	45.7	0	0	0	0	107.9
683	K	33.3	Very low	30.8	Very low	193 Å²	193	131.3 Å²	131.3	84%	0.839	76%	0.76	S	S	*	*			cis	-136.7	169.5	11.5	-57.6	171	-178.1	173.7	0	107.5
684	S	36.7	Very low	30.8	Very low	93 Å²	93	132 Å²	132	65%	0.65	76%	0.756	S	S	*	*			cis	-157.5	143.3	11.8	46.6	0	0	0	0	111.9
685	N	35	Very low	31	Very low	167 Å²	167	135.3 Å²	135.3	89%	0.893	76%	0.764	S	S	*	*			trans	68.7	141.3	155.4	-50.2	-8.6	0	0	0	118.8
686	G	31	Very low	31.2	Very low	67 Å²	67	132.6 Å²	132.6	69%	0.691	76%	0.763	S	S	*	*			cis	170.4	126.6	-9.8	0	0	0	0	0	114.8
687	S	32.5	Very low	31.3	Very low	115 Å²	115	131.4 Å²	131.4	80%	0.804	77%	0.769	S	S	*	*			trans	53.4	107.2	155	57.8	0	0	0	0	122.2
688	S	32.4	Very low	31.4	Very low	119 Å²	119	128.8 Å²	128.8	83%	0.832	77%	0.77	S	S	*	*				99.3	151.4	119.4	-60.8	0	0	0	0	121.6
689	P	40.5	Very low	31.5	Very low	121 Å²	121	134 Å²	134	79%	0.786	78%	0.776	S	S	*	*			trans	-132.7	168.3	-155.9	41.3	-23.6	0	0	0	116.9
690	S	32.3	Very low	31.5	Very low	114 Å²	114	135.3 Å²	135.3	80%	0.797	78%	0.78	S	S	*	*			trans	-164.1	129.7	145	25.6	0	0	0	0	115.2
691	V	33	Very low	31.7	Very low	126 Å²	126	136.4 Å²	136.4	76%	0.764	79%	0.788	S	S	*	*			trans	53	108.9	144.4	-172.2	0	0	0	0	120.7
692	K	28.7	Very low	31.8	Very low	195 Å²	195	137.8 Å²	137.8	85%	0.848	80%	0.796	S	S	*	*			trans	35.8	133.6	135.1	-53.4	172.2	-177.9	172	0	118
693	K	29.4	Very low	31.5	Very low	171 Å²	171	137.2 Å²	137.2	74%	0.743	80%	0.796	S	S	*	*			cis	-174.8	162.1	49.4	-156.1	175.7	176.5	-177.5	0	112
694	F	28.7	Very low	31.9	Very low	166 Å²	166	133 Å²	133	73%	0.728	79%	0.789	S	S	*	*			trans	82.6	145.9	156.9	-82.6	-61.8	0	0	0	123.2
695	M	29.6	Very low	31.7	Very low	162 Å²	162	135.7 Å²	135.7	80%	0.798	80%	0.795	S	S	*	*			trans	83.4	132.6	154.8	-73.9	-62.2	177.5	0	0	123.1
696	S	29.9	Very low	31.4	Very low	107 Å²	107	137.9 Å²	137.9	75%	0.748	79%	0.79	S	S	*	*			trans	68.7	142.5	159.3	75.2	0	0	0	0	118.2
697	T	32.3	Very low	31.3	Very low	138 Å²	138	142.3 Å²	142.3	85%	0.847	79%	0.791	S	S	*	*			cis	-152.4	163.8	-8.9	-1.8	0	0	0	0	111.8
698	S	27.9	Very low	31.1	Very low	117 Å²	117	143.1 Å²	143.1	82%	0.818	78%	0.781	S	S	*	*			trans	-75.4	165.6	-170.7	-42.5	0	0	0	0	116.5
699	K	29.7	Very low	30.9	Very low	197 Å²	197	145.5 Å²	145.5	86%	0.857	78%	0.777	S	S	*	*			trans	-132.8	137.4	159	-78.9	-171.2	175.9	-178.2	0	111.9
700	S	29.1	Very low	30.5	Very low	113 Å²	113	147.6 Å²	147.6	79%	0.79	78%	0.782	S	S	*	*			trans	35.6	123.6	148.5	61.3	0	0	0	0	122
701	S	32.3	Very low	30.5	Very low	119 Å²	119	150.8 Å²	150.8	83%	0.832	78%	0.784	S	S	*	*			trans	-153.5	170	140.1	61.4	0	0	0	0	110.7
702	L	32.1	Very low	30.5	Very low	174 Å²	174	149.9 Å²	149.9	91%	0.911	78%	0.781	S	S	*	*			trans	-98.6	170.2	-168.6	-74	82	0	0	0	114
703	S	25.8	Very low	30.6	Very low	107 Å²	107	146.4 Å²	146.4	75%	0.748	78%	0.781	S	S	*	*			trans	-91.8	-169.2	178.9	62	0	0	0	0	112.4
704	P	41.5	Very low	30.6	Very low	104 Å²	104	146.5 Å²	146.5	68%	0.675	79%	0.788	S	S	*	*			cis	-130	-173.5	-27.8	22.9	0.5	0	0	0	112.9
705	I	31.6	Very low	30.7	Very low	151 Å²	151	143.3 Å²	143.3	77%	0.774	79%	0.786	S	S	*	*				165.4	118.3	119.8	-84.3	165.3	0	0	0	115.4
706	R	28.5	Very low	30.9	Very low	212 Å²	212	141.9 Å²	141.9	80%	0.8	79%	0.789	S	S	*	*			trans	61.5	131.1	146	-83.1	-174.8	160.1	167.6	-1.6	126.2
707	K	29.3	Very low	31.1	Very low	161 Å²	161	143 Å²	143	70%	0.7	79%	0.791	S	S	*	*			trans	76.4	144.7	139.5	-68.1	178.8	163.4	-167.7	0	118
708	H	27.7	Very low	31.1	Very low	131 Å²	131	141 Å²	141	61%	0.606	78%	0.775	S	S	*	*			cis	-159.5	161.2	-7.1	-126.8	-61.7	0	0	0	111
709	F	28.9	Very low	31.5	Very low	170 Å²	170	140.1 Å²	140.1	75%	0.746	77%	0.769	S	S	*	*			trans	56.9	112	158.8	-69.8	-66.5	0	0	0	120.9
710	N	32.4	Very low	31.9	Very low	165 Å²	165	140.8 Å²	140.8	88%	0.882	77%	0.766	S	S	*	*				-171.7	173.4	99.2	-100	-14.8	0	0	0	112.6
711	E	31.8	Very low	32.1	Very low	180 Å²	180	143.8 Å²	143.8	84%	0.841	77%	0.765	S	S	*	*			trans	-108.8	-167.2	-164.2	-142.5	-166.4	-176.3	0	0	112.9
712	P	33.1	Very low	32.3	Very low	108 Å²	108	148.4 Å²	148.4	70%	0.701	76%	0.764	S	S	*	*				-112.6	178.8	-109.6	40.8	-27.8	0	0	0	115.5
713	S	31.7	Very low	32.5	Very low	122 Å²	122	148.4 Å²	148.4	85%	0.853	75%	0.753	S	S	*	*			trans	-134.7	161.1	162.6	67.7	0	0	0	0	112.2
714	I	29	Very low	32.9	Very low	173 Å²	173	150.5 Å²	150.5	89%	0.887	76%	0.756	S	S	*	*			trans	-108.4	141.8	-157.2	-65.1	162.9	0	0	0	111.9
715	S	31.7	Very low	32.5	Very low	98 Å²	98	156.4 Å²	156.4	69%	0.685	77%	0.765	S	S	*	*			trans	-137.2	153.1	164.2	68	0	0	0	0	111.3
716	P	33.2	Very low	32.8	Very low	132 Å²	132	152.1 Å²	152.1	86%	0.857	75%	0.746	S	S	*	*			trans	-83.4	125.2	-162.7	31.1	-34.6	0	0	0	113.3
717	V	34.3	Very low	33.2	Very low	131 Å²	131	146.6 Å²	146.6	79%	0.794	74%	0.739	S	S	*	*			trans	-90.4	115.7	178.4	-179.8	0	0	0	0	111.7
718	D	31.5	Very low	33.3	Very low	97 Å²	97	147.1 Å²	147.1	52%	0.519	74%	0.737	S	S	.	*			trans	-28.8	126.5	166.8	179.3	4.6	0	0	0	114.9	R720	D718-R720 PolarHBondContact O-N 2.81Å; D718-R720 WeakPolarHBondContact OD1-CB 3.45Å; D718-R720 WeakPolarHBondContact OD1-CG 3.3Å; D718-R720 PolarHBondContact OD1-N 2.87Å
719	S	36.1	Very low	33.9	Very low	98 Å²	98	143 Å²	143	69%	0.685	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-68.3	-15.4	-177.2	52.9	0	0	0	0	114.3	K721	S719-K721 PolarHBondContact O-N 3.34Å; S719-K721 VanDerWaalsContact O-N 3.12Å
720	R	38.2	Very low	34.4	Very low	210 Å²	210	138.5 Å²	138.5	79%	0.792	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-67.5	-10.8	-174.2	-68.3	178	179	-157.9	-1.4	115.5	D718	D718-R720 PolarHBondContact O-N 2.81Å; D718-R720 WeakPolarHBondContact OD1-CB 3.45Å; D718-R720 WeakPolarHBondContact OD1-CG 3.3Å; D718-R720 PolarHBondContact OD1-N 2.87Å
721	K	34.2	Very low	34.5	Very low	177 Å²	177	136 Å²	136	77%	0.77	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-92.6	2	-177.4	-75	-176.1	177.5	175.6	0	116.3	S719	S719-K721 PolarHBondContact O-N 3.34Å; S719-K721 VanDerWaalsContact O-N 3.12Å
722	R	35.1	Very low	34.9	Very low	215 Å²	215	131.2 Å²	131.2	81%	0.811	68%	0.676	S	S	*	*	S	Bend	trans	-78.8	-32.5	-178.4	-70.2	-166.4	180	-163.2	1.8	115.1	N724 R725	R722-N724 PolarHBondContact O-N 2.72Å; R722-R725 PolarHBondContact O-N 3.02Å
723	Y	36.9	Very low	35.4	Very low	174 Å²	174	127.2 Å²	127.2	68%	0.682	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-63.6	-37.3	-173.4	-72	-75.9	0	0	0	114.2	R725 V726	Y723-R725 PolarHBondContact O-N 2.71Å; Y723-V726 PolarHBondContact O-N 2.98Å
724	N	33.8	Very low	35.9	Very low	151 Å²	151	128 Å²	128	81%	0.807	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-72	12.2	-176.8	-72	1.9	0	0	0	115.3	R722	R722-N724 PolarHBondContact O-N 2.72Å
725	R	33.2	Very low	36.4	Very low	228 Å²	228	130.7 Å²	130.7	86%	0.86	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-108.3	-10.8	174.9	-126.7	175.7	-173.5	166.7	2.2	114.5	R722 Y723	R722-R725 PolarHBondContact O-N 3.02Å; Y723-R725 PolarHBondContact O-N 2.71Å
726	V	38.6	Very low	37	Very low	62 Å²	62	128.2 Å²	128.2	38%	0.376	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.4	-33.4	177.2	-174.3	0	0	0	0	111.6	Y723 R728 S729	Y723-V726 PolarHBondContact O-N 2.98Å; V726-R728 PolarHBondContact O-N 2.78Å; V726-S729 PolarHBondContact O-N 2.91Å; V726-S729 PolarHBondContact O-OG 3.14Å
727	S	35.8	Very low	37.4	Very low	96 Å²	96	124.9 Å²	124.9	67%	0.671	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	22.3	-175.2	-33.1	0	0	0	0	116.4
728	R	33.1	Very low	37.3	Very low	172 Å²	172	123.7 Å²	123.7	65%	0.649	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.1	6.4	176.7	-69.3	-166.6	176.7	-156.2	1.3	114.2	V726	V726-R728 PolarHBondContact O-N 2.78Å
729	S	39.8	Very low	37.2	Very low	44 Å²	44	128.7 Å²	128.7	31%	0.308	60%	0.596	S	S	.	*			trans	-85.9	-4.2	-180	58	0	0	0	0	115.4	V726 E731 P732	V726-S729 PolarHBondContact O-N 2.91Å; V726-S729 PolarHBondContact O-OG 3.14Å; S729-E731 VanDerWaalsContact C-N 3.32Å; S729-E731 PolarHBondContact O-N 3.48Å; S729-P732 WeakPolarHBondContact O-CD 3.35Å
730	V	39.4	Very low	36.9	Very low	75 Å²	75	129.9 Å²	129.9	46%	0.455	60%	0.599	S	S	.	*			trans	-80.7	-5.8	-168.5	-162.9	0	0	0	0	114.1	V733	V730-V733 PolarHBondContact O-N 3.09Å
731	E	34	Very low	36.4	Very low	113 Å²	113	125.5 Å²	125.5	53%	0.528	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.2	-24.7	-176.4	-142.4	60.1	-145.2	0	0	116.2	S729 R734	S729-E731 VanDerWaalsContact C-N 3.32Å; S729-E731 PolarHBondContact O-N 3.48Å; E731-R734 IonicContact OE1-CZ 3.41Å; E731-R734 IonicContact OE1-NH1 2.73Å; E731-R734 PolarHBondContact OE1-NH1 3.26Å; E731-R734 IonicContact OE2-CZ 3.15Å; E731-R734 IonicContact OE2-NH1 2.71Å; E731-R734 PolarHBondContact OE2-NH1 3.49Å
732	P	41.2	Very low	36.1	Very low	79 Å²	79	122.3 Å²	122.3	51%	0.513	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66	-35.3	172.9	-21.5	34.4	0	0	0	113.9	S729 R734 R735	S729-P732 WeakPolarHBondContact O-CD 3.35Å; P732-R734 PolarHBondContact O-N 3.24Å; P732-R735 WeakPolarHBondContact O-CB 3.5Å; P732-R735 PolarHBondContact O-N 3.42Å
733	V	43.4	Very low	35.7	Very low	25 Å²	25	117.8 Å²	117.8	15%	0.152	59%	0.587	C	S	.	*	H	α-helix	trans	-61.3	-34.2	-172.8	-175.1	0	0	0	0	111.4	L539 V730 R735 I736 F737	L539-V733 HydrophobicContact CD2-CG1 4.27Å; V730-V733 PolarHBondContact O-N 3.09Å; V733-R735 PolarHBondContact O-N 3.18Å; V733-R735 VanDerWaalsContact O-N 3.15Å; V733-I736 PolarHBondContact O-N 3.37Å; V733-I736 VanDerWaalsContact O-N 3.13Å; V733-F737 HydrophobicContact CG1-CD2 4.2Å; V733-F737 HydrophobicContact CG1-CE2 4.49Å; V733-F737 PolarHBondContact O-N 2.75Å
734	R	40.4	Very low	35.3	Very low	138 Å²	138	119 Å²	119	52%	0.521	59%	0.592	S	S	.	*	H	α-helix	trans	-62.5	-17.9	176.1	-68.8	-170.3	-178.1	115.4	23.6	114.6	E731 P732	E731-R734 IonicContact OE1-CZ 3.41Å; E731-R734 IonicContact OE1-NH1 2.73Å; E731-R734 PolarHBondContact OE1-NH1 3.26Å; E731-R734 IonicContact OE2-CZ 3.15Å; E731-R734 IonicContact OE2-NH1 2.71Å; E731-R734 PolarHBondContact OE2-NH1 3.49Å; P732-R734 PolarHBondContact O-N 3.24Å
735	R	39.9	Very low	34.9	Very low	229 Å²	229	120.6 Å²	120.6	86%	0.864	59%	0.592	S	S	*	*	H	α-helix	trans	-84.7	-21.5	176.3	-63.5	-172.2	-176.4	175.3	1	113.5	P732 V733	P732-R735 WeakPolarHBondContact O-CB 3.5Å; P732-R735 PolarHBondContact O-N 3.42Å; V733-R735 PolarHBondContact O-N 3.18Å; V733-R735 VanDerWaalsContact O-N 3.15Å
736	I	44.2	Very low	34.6	Very low	46 Å²	46	116.6 Å²	116.6	24%	0.236	59%	0.585	C	S	.	*	H	α-helix	trans	-88.3	-31.6	-176.8	-46.2	-177.6	0	0	0	110.5	P390 V733	P390-I736 HydrophobicContact CB-CG1 4.48Å; V733-I736 PolarHBondContact O-N 3.37Å; V733-I736 VanDerWaalsContact O-N 3.13Å
737	F	42.3	Very low	34	Very low	62 Å²	62	120 Å²	120	27%	0.272	60%	0.601	S	S	.	*			trans	-129.5	97.1	-174.1	-50.5	-57.2	0	0	0	112.4	L388 L539 V733 V830	L388-F737 HydrophobicContact CD1-CE1 4.2Å; L388-F737 HydrophobicContact CD1-CZ 3.81Å; L539-F737 HydrophobicContact CD1-CD2 4.42Å; L539-F737 HydrophobicContact CD1-CE2 3.84Å; V733-F737 HydrophobicContact CG1-CD2 4.2Å; V733-F737 HydrophobicContact CG1-CE2 4.49Å; V733-F737 PolarHBondContact O-N 2.75Å; F737-V830 HydrophobicContact CE2-CG1 4.29Å; F737-V830 HydrophobicContact CZ-CG1 4.26Å
738	P	32.8	Very low	33.7	Very low	106 Å²	106	121.6 Å²	121.6	69%	0.688	61%	0.606	S	S	*	*			trans	-65.4	151	161.7	29.3	-33.5	0	0	0	110.1	V740	P738-V740 PolarHBondContact O-N 3.01Å; P738-V740 VanDerWaalsContact O-N 3.09Å
739	K	28.7	Very low	33.7	Very low	203 Å²	203	118.6 Å²	118.6	88%	0.883	61%	0.612	S	S	*	*			trans	-64.6	109.7	179.9	-84.1	-174.3	171.1	-176	0	111.3
740	V	30.8	Very low	33.1	Very low	123 Å²	123	121.4 Å²	121.4	75%	0.745	63%	0.632	S	S	*	*			trans	-87.9	115.3	160.7	-179.2	0	0	0	0	108.1	P738 T742	P738-V740 PolarHBondContact O-N 3.01Å; P738-V740 VanDerWaalsContact O-N 3.09Å; V740-T742 PolarHBondContact O-N 3.42Å
741	T	27.2	Very low	32.6	Very low	117 Å²	117	125.1 Å²	125.1	72%	0.718	65%	0.648	S	S	*	*			trans	-95.2	75.2	-175.8	46.1	0	0	0	0	112.7
742	T	27.4	Very low	32.4	Very low	110 Å²	110	127.1 Å²	127.1	68%	0.675	66%	0.655	S	S	*	*			trans	-121.4	76.5	162.9	46.5	0	0	0	0	108.8	V740 Y744	V740-T742 PolarHBondContact O-N 3.42Å; T742-Y744 PolarHBondContact O-N 3.22Å
743	V	27	Very low	31.8	Very low	120 Å²	120	128.8 Å²	128.8	73%	0.727	66%	0.66	S	S	*	*			trans	-90.6	99.1	-175.1	-178.7	0	0	0	0	110.1
744	Y	28.7	Very low	31.3	Very low	201 Å²	201	133.3 Å²	133.3	79%	0.788	68%	0.683	S	S	*	*			trans	-74.5	120.9	158.8	-71.6	-83.7	0	0	0	108.6	T742	T742-Y744 PolarHBondContact O-N 3.22Å
745	K	24.1	Very low	30.9	Very low	184 Å²	184	131.6 Å²	131.6	80%	0.8	69%	0.688	S	S	*	*			trans	-84.6	125.3	170.7	-81.8	-172.5	171.7	-172.1	0	109.4
746	M	27.4	Very low	30.6	Very low	144 Å²	144	127.6 Å²	127.6	71%	0.709	68%	0.677	S	S	*	*			trans	-135.3	130.1	153	-73.9	-161.3	169.1	0	0	108.8	Q542 T748	Q542-M746 VanDerWaalsContact NE2-N 3.2Å; Q542-M746 PolarHBondContact NE2-O 2.87Å; M746-T748 PolarHBondContact O-N 3.37Å
747	D	26.8	Very low	30	Very low	134 Å²	134	130.6 Å²	130.6	72%	0.717	69%	0.693	S	S	*	*			trans	-80.1	115.3	178.6	-69.5	-50.4	0	0	0	109.5	S749	D747-S749 PolarHBondContact O-N 2.98Å
748	T	29.8	Very low	29.5	Very low	128 Å²	128	139.1 Å²	139.1	79%	0.785	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	35.7	-174.5	58.8	0	0	0	0	112.9	M746	M746-T748 PolarHBondContact O-N 3.37Å
749	S	31.4	Very low	29.3	Very low	110 Å²	110	141 Å²	141	77%	0.769	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	-14	-175.7	56.1	0	0	0	0	113.9	D747	D747-S749 PolarHBondContact O-N 2.98Å
750	S	29.2	Very low	29.1	Very low	103 Å²	103	137.6 Å²	137.6	72%	0.72	71%	0.713	S	S	*	*	S	Bend	trans	-91.6	126.6	173.4	50	0	0	0	0	112.2	F752	S750-F752 PolarHBondContact O-N 3.42Å
751	L	28.1	Very low	28.8	Very low	153 Å²	153	140.5 Å²	140.5	80%	0.801	72%	0.719	S	S	*	*			trans	-68.9	121.9	175.3	-174.4	75.4	0	0	0	110.7
752	F	29.7	Very low	28.6	Very low	155 Å²	155	144.9 Å²	144.9	68%	0.68	72%	0.723	S	S	*	*			trans	29.1	94.8	165.5	-69.8	-83.6	0	0	0	118	S750 L754	S750-F752 PolarHBondContact O-N 3.42Å; F752-L754 HydrophobicContact CD1-CD1 4.5Å
753	D	27.8	Very low	28.3	Very low	114 Å²	114	148 Å²	148	61%	0.61	74%	0.735	S	S	*	*			trans	-131.2	109.1	147	-172.2	-12.9	0	0	0	108.8	T755	D753-T755 WeakPolarHBondContact OD1-CB 3.45Å; D753-T755 WeakPolarHBondContact OD1-CG2 3.31Å; D753-T755 PolarHBondContact OD1-N 3.2Å; D753-T755 PolarHBondContact OD1-OG1 3.34Å
754	L	33.5	Very low	28.2	Very low	120 Å²	120	146.9 Å²	146.9	63%	0.628	73%	0.729	S	S	*	*			trans	-89	-4.1	-175.8	-71.6	165.5	0	0	0	113	F752 K756 L757	F752-L754 HydrophobicContact CD1-CD1 4.5Å; L754-K756 VanDerWaalsContact C-N 3.29Å; L754-K756 PolarHBondContact O-N 3.47Å; L754-L757 HydrophobicContact CD2-CD1 4.22Å
755	T	32.7	Very low	28.1	Very low	102 Å²	102	146.2 Å²	146.2	63%	0.626	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-66.1	-28.3	-172.1	58	0	0	0	0	113.9	D753 L757	D753-T755 WeakPolarHBondContact OD1-CB 3.45Å; D753-T755 WeakPolarHBondContact OD1-CG2 3.31Å; D753-T755 PolarHBondContact OD1-N 3.2Å; D753-T755 PolarHBondContact OD1-OG1 3.34Å; T755-L757 VanDerWaalsContact C-N 3.34Å; T755-L757 PolarHBondContact O-N 3.39Å
756	K	32.9	Very low	28.1	Very low	145 Å²	145	145.4 Å²	145.4	63%	0.63	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-76.5	-8.9	-174.7	-75.3	-169.1	167.4	-172.9	0	116.3	L754 R758 E759	L754-K756 VanDerWaalsContact C-N 3.29Å; L754-K756 PolarHBondContact O-N 3.47Å; K756-R758 PolarHBondContact O-N 2.85Å; K756-R758 VanDerWaalsContact O-N 3.15Å; K756-E759 PolarHBondContact O-N 2.93Å; K756-E759 VanDerWaalsContact O-N 3.11Å
757	L	31.9	Very low	28	Very low	109 Å²	109	144.1 Å²	144.1	57%	0.571	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-62.9	-19.9	176.2	-81.2	163.1	0	0	0	113.1	L754 T755 E759	L754-L757 HydrophobicContact CD2-CD1 4.22Å; T755-L757 VanDerWaalsContact C-N 3.34Å; T755-L757 PolarHBondContact O-N 3.39Å; L757-E759 VanDerWaalsContact C-N 3.3Å; L757-E759 PolarHBondContact O-N 3.32Å
758	R	32.5	Very low	27.9	Very low	241 Å²	241	143.4 Å²	143.4	91%	0.909	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-73	-11.1	174.2	-86.5	-172.8	173.5	-173.8	-0.7	115.4	K756	K756-R758 PolarHBondContact O-N 2.85Å; K756-R758 VanDerWaalsContact O-N 3.15Å
759	E	27.5	Very low	27.6	Very low	145 Å²	145	146.8 Å²	146.8	68%	0.678	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-90.8	4.7	-174.1	-60.4	-171.7	135.9	0	0	114	K756 L757 Q761	K756-E759 PolarHBondContact O-N 2.93Å; K756-E759 VanDerWaalsContact O-N 3.11Å; L757-E759 VanDerWaalsContact C-N 3.3Å; L757-E759 PolarHBondContact O-N 3.32Å; E759-Q761 VanDerWaalsContact C-N 3.31Å; E759-Q761 PolarHBondContact O-N 3.22Å
760	L	24.9	Very low	27.3	Very low	131 Å²	131	146.4 Å²	146.4	69%	0.686	75%	0.75	S	S	*	*			trans	-72.4	84.7	172	-73.3	176	0	0	0	111.2	Y762	L760-Y762 PolarHBondContact O-N 2.86Å
761	Q	23.5	Very low	27.3	Very low	185 Å²	185	145.9 Å²	145.9	86%	0.864	75%	0.746	S	S	*	*			trans	-66	115.1	-179.8	-156.8	171.4	29.5	0	0	110.7	E759 L763	E759-Q761 VanDerWaalsContact C-N 3.31Å; E759-Q761 PolarHBondContact O-N 3.22Å; Q761-L763 PolarHBondContact O-N 2.95Å; Q761-L763 VanDerWaalsContact O-N 3.14Å
762	Y	23.5	Very low	27.1	Very low	208 Å²	208	143.8 Å²	143.8	82%	0.816	74%	0.744	S	S	*	*			trans	-61.2	113.9	-177.7	-87.7	-108.8	0	0	0	111.8	L760 T764	L760-Y762 PolarHBondContact O-N 2.86Å; Y762-T764 PolarHBondContact O-N 3.37Å
763	L	22	Very low	27	Very low	176 Å²	176	145.6 Å²	145.6	92%	0.921	75%	0.752	S	S	*	*			trans	-78.8	77.1	163	-110.3	160.7	0	0	0	108.9	Q761 Q765	Q761-L763 PolarHBondContact O-N 2.95Å; Q761-L763 VanDerWaalsContact O-N 3.14Å; L763-Q765 PolarHBondContact O-N 2.96Å
764	T	24.7	Very low	26.8	Very low	97 Å²	97	146.8 Å²	146.8	60%	0.595	76%	0.757	S	S	*	*			trans	-64.4	100.7	175.9	45.5	0	0	0	0	110.7	Y762 H766	Y762-T764 PolarHBondContact O-N 3.37Å; T764-H766 PolarHBondContact O-N 3.31Å
765	Q	26.2	Very low	26.4	Very low	187 Å²	187	146.5 Å²	146.5	87%	0.874	77%	0.765	S	S	*	*			trans	-73.9	113.3	171.1	-155.4	165.6	7.6	0	0	108.5	L763	L763-Q765 PolarHBondContact O-N 2.96Å
766	H	23.4	Very low	26.1	Very low	166 Å²	166	146.7 Å²	146.7	77%	0.769	77%	0.766	S	S	*	*			trans	-71.9	152.8	178.6	-84.8	-96.1	0	0	0	111.5	T764	T764-H766 PolarHBondContact O-N 3.31Å
767	S	25.5	Very low	25.8	Very low	117 Å²	117	147.4 Å²	147.4	82%	0.818	78%	0.777	S	S	*	*			trans	72.8	143.2	-167.1	81.3	0	0	0	0	114
768	S	25.9	Very low	25.7	Very low	120 Å²	120	149.4 Å²	149.4	84%	0.839	79%	0.788	S	S	*	*			cis	-124.7	-165.7	8.7	65.1	0	0	0	0	113
769	K	23.7	Very low	25.5	Very low	199 Å²	199	142.8 Å²	142.8	87%	0.865	78%	0.779	S	S	*	*			trans	-103.4	160.2	-165.7	-62.9	172.6	179.7	174.1	0	112.4
770	A	24.6	Very low	25.7	Very low	102 Å²	102	143.9 Å²	143.9	84%	0.843	79%	0.789	S	S	*	*			trans	70.8	151.3	172.8	0	0	0	0	0	114.8
771	S	28.3	Very low	26	Very low	92 Å²	92	146.2 Å²	146.2	64%	0.643	79%	0.793	S	S	*	*			cis	-129.5	123	16.8	45.2	0	0	0	0	114.3
772	S	24.7	Very low	26.2	Very low	109 Å²	109	143.8 Å²	143.8	76%	0.762	79%	0.786	S	S	*	*			trans	-89.5	114.7	147	54.2	0	0	0	0	107	I774	S772-I774 PolarHBondContact O-N 3.05Å
773	F	26.8	Very low	26.5	Very low	193 Å²	193	141.3 Å²	141.3	85%	0.846	79%	0.788	S	S	*	*			trans	-68	121.1	176.9	-86.6	-91.9	0	0	0	110.3
774	I	24.7	Very low	26.8	Very low	139 Å²	139	141.6 Å²	141.6	71%	0.713	78%	0.781	S	S	*	*			trans	-78.1	127.7	174.7	-64.5	172.6	0	0	0	107.9	S772 V776	S772-I774 PolarHBondContact O-N 3.05Å; I774-V776 HydrophobicContact CG2-CG2 4.07Å; I774-V776 PolarHBondContact O-N 3.36Å
775	S	24.4	Very low	26.9	Very low	113 Å²	113	143.6 Å²	143.6	79%	0.79	79%	0.787	S	S	*	*			trans	-70.8	92.2	168.5	55.2	0	0	0	0	109.9
776	V	26.6	Very low	26.9	Very low	107 Å²	107	141.2 Å²	141.2	65%	0.648	77%	0.774	S	S	*	*			trans	-85.3	109.1	166.8	-178.2	0	0	0	0	107.7	I774 D778	I774-V776 HydrophobicContact CG2-CG2 4.07Å; I774-V776 PolarHBondContact O-N 3.36Å; V776-D778 PolarHBondContact O-N 3.04Å
777	N	26.3	Very low	27	Very low	160 Å²	160	138.4 Å²	138.4	86%	0.856	77%	0.772	S	S	*	*			trans	-70.8	109.5	162.5	-81.9	-13.6	0	0	0	107.8
778	D	29.4	Very low	27.2	Very low	150 Å²	150	141.2 Å²	141.2	80%	0.802	77%	0.772	S	S	*	*			trans	-137.1	133.8	157.1	-113.4	-41.6	0	0	0	109.7	V776	V776-D778 PolarHBondContact O-N 3.04Å
779	S	29.6	Very low	27.6	Very low	103 Å²	103	144 Å²	144	72%	0.72	77%	0.771	S	S	*	*			trans	-93.7	119.9	-171.7	50.9	0	0	0	0	111.1
780	N	31.9	Very low	28.2	Very low	168 Å²	168	138.2 Å²	138.2	90%	0.898	75%	0.754	S	S	*	*			trans	-156.6	162.5	147	-106.6	-49.7	0	0	0	112.7
781	K	30	Very low	28.9	Very low	179 Å²	179	135.6 Å²	135.6	78%	0.778	73%	0.729	S	S	*	*			trans	-87.8	159.9	-165.1	-72.6	-173.8	174.5	-176.4	0	114.6
782	D	28.9	Very low	29.3	Very low	134 Å²	134	136.2 Å²	136.2	72%	0.717	73%	0.729	S	S	*	*			trans	55.1	83.2	147.7	-55.2	-28.5	0	0	0	118.2
783	N	29.7	Very low	30.3	Very low	157 Å²	157	132.4 Å²	132.4	84%	0.84	70%	0.699	S	S	*	*			trans	-159.1	115.9	132.7	-103.2	-51.1	0	0	0	111.9	I785	N783-I785 PolarHBondContact O-N 2.93Å
784	K	27.8	Very low	31	Very low	181 Å²	181	129.2 Å²	129.2	79%	0.787	70%	0.7	S	S	*	*			trans	-92.6	69.8	-170	-159	171.8	-172.2	175.7	0	112.2	F786	K784-F786 HydrophobicContact CD-CE2 4.27Å; K784-F786 HydrophobicContact CG-CE2 4.15Å; K784-F786 PolarHBondContact O-N 2.85Å
785	I	27.3	Very low	32.4	Very low	140 Å²	140	125.6 Å²	125.6	72%	0.718	69%	0.687	S	S	*	*			trans	-77.3	111.7	176	-59.6	179.2	0	0	0	109.7	N783 C787	N783-I785 PolarHBondContact O-N 2.93Å; I785-C787 PolarHBondContact O-N 2.87Å; I785-C787 VanDerWaalsContact O-N 3.13Å
786	F	25	Very low	34.3	Very low	137 Å²	137	124.8 Å²	124.8	60%	0.601	67%	0.671	S	S	*	*			trans	-77	93	174.6	-80.8	-89.3	0	0	0	111.3	K784 H788	K784-F786 HydrophobicContact CD-CE2 4.27Å; K784-F786 HydrophobicContact CG-CE2 4.15Å; K784-F786 PolarHBondContact O-N 2.85Å; F786-H788 PolarHBondContact O-N 3.32Å
787	C	26.2	Very low	36.6	Very low	107 Å²	107	119.7 Å²	119.7	72%	0.723	64%	0.64	S	S	*	*			trans	-80.7	107.5	167	-72	0	0	0	0	110.3	I785 Q789	I785-C787 PolarHBondContact O-N 2.87Å; I785-C787 VanDerWaalsContact O-N 3.13Å; C787-Q789 PolarHBondContact O-N 3.2Å; C787-Q789 VanDerWaalsContact O-N 3.08Å
788	H	30.6	Very low	39.3	Very low	176 Å²	176	113 Å²	113	82%	0.815	60%	0.604	S	S	*	*			trans	-63.5	108.1	164.3	-66.3	-83.7	0	0	0	108.9	F786 P790	F786-H788 PolarHBondContact O-N 3.32Å; H788-P790 WeakPolarHBondContact O-CD 3.25Å
789	Q	32.9	Very low	42	Very low	178 Å²	178	105.8 Å²	105.8	83%	0.832	57%	0.566	S	S	*	*			trans	-97.2	100.5	179.6	-165.8	166.5	8	0	0	109.5	C787	C787-Q789 PolarHBondContact O-N 3.2Å; C787-Q789 VanDerWaalsContact O-N 3.08Å
790	P	36.2	Very low	44.9	Very low	78 Å²	78	100.9 Å²	100.9	51%	0.506	53%	0.531	S	S	.	.			trans	-64.6	150.9	174.3	29.1	-35.3	0	0	0	110	H788 V792	H788-P790 WeakPolarHBondContact O-CD 3.25Å; P790-V792 WeakPolarHBondContact O-CG2 3.44Å; P790-V792 PolarHBondContact O-N 2.84Å
791	C	40.1	Very low	47.7	Very low	46 Å²	46	94.8 Å²	94.8	31%	0.311	50%	0.495	S	S	.	.			trans	-63.3	110.4	177.4	-69.7	0	0	0	0	110.5	W384	W384-C791 HydrophobicContact CH2-CB 3.72Å; W384-C791 HydrophobicContact CZ2-CB 4.37Å; W384-C791 HydrophobicContact CZ3-CB 4.31Å
792	V	36	Very low	50.6	Low	105 Å²	105	86.2 Å²	86.2	64%	0.636	46%	0.458	S	S	*	.			trans	-92	109.8	179.2	-177.2	0	0	0	0	109.4	P790 S794	P790-V792 WeakPolarHBondContact O-CG2 3.44Å; P790-V792 PolarHBondContact O-N 2.84Å; V792-S794 PolarHBondContact O-N 2.88Å
793	F	45.9	Very low	53.6	Low	30 Å²	30	80 Å²	80	13%	0.132	43%	0.426	C	S	.	.			trans	-80.3	113.3	169.5	-66.6	-81	0	0	0	110	W384 S795 L797 F853	W384-F793 HydrophobicContact CD2-CE2 4.08Å; W384-F793 AromaticContact CD2-CZ 4Å; W384-F793 HydrophobicContact CD2-CZ 4Å; W384-F793 AromaticContact CE2-CZ 3.62Å; W384-F793 HydrophobicContact CE3-CE2 4.31Å; W384-F793 HydrophobicContact CG-CZ 4.3Å; W384-F793 HydrophobicContact CZ2-CE2 4.38Å; W384-F793 AromaticContact CZ2-CZ 3.97Å; W384-F793 HydrophobicContact CZ2-CZ 3.97Å; W384-F793 AromaticContact NE1-CZ 3.68Å; F793-S795 VanDerWaalsContact C-N 3.3Å; F793-S795 PolarHBondContact O-N 2.91Å; F793-L797 HydrophobicContact CB-CD1 3.87Å; F793-L797 HydrophobicContact CB-CD2 3.95Å; F793-L797 HydrophobicContact CB-CG 4.19Å; F793-L797 HydrophobicContact CD1-CD1 4.19Å; F793-L797 HydrophobicContact CD1-CD2 3.69Å; F793-L797 HydrophobicContact CD2-CD1 3.92Å; F793-L797 HydrophobicContact CE1-CD2 4.43Å; F793-L797 HydrophobicContact CG-CD1 3.72Å; F793-L797 HydrophobicContact CG-CD2 3.93Å; F793-L797 HydrophobicContact CG-CG 4.34Å; F793-F853 WeakPolarHBondContact CE1-O 3.49Å
794	S	41.4	Very low	56.5	Low	126 Å²	126	72.8 Å²	72.8	88%	0.881	39%	0.387	S	S	*	.			trans	-88.9	12.6	-178.7	73.6	0	0	0	0	114.2	V792	V792-S794 PolarHBondContact O-N 2.88Å
795	S	54.6	Low	59.1	Low	62 Å²	62	64.9 Å²	64.9	43%	0.434	36%	0.355	S	S	.	.	S	Bend	trans	-130.8	164.5	-175.5	61.1	0	0	0	0	111.2	F793	F793-S795 VanDerWaalsContact C-N 3.3Å; F793-S795 PolarHBondContact O-N 2.91Å
796	Q	64.5	Low	61.6	Low	97 Å²	97	63.5 Å²	63.5	45%	0.453	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	135.9	164.9	-64.3	-179.9	-3.5	0	0	108.9	L545 Q547	L545-Q796 HydrophobicContact CB-CB 4.41Å; L545-Q796 HydrophobicContact CD2-CB 3.99Å; Q547-Q796 HydrophobicContact CB-CG 4.02Å; Q547-Q796 HydrophobicContact CG-CG 4.22Å; Q547-Q796 VanDerWaalsContact OE1-NE2 3.13Å
797	L	74.4	Confident	63.7	Low	0 Å²	0	59 Å²	59	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	136.4	180	-58.4	-179.7	0	0	0	109.6	L545 R546 T548 F793 T799 S855	L545-L797 CarbonylContact C-O 3.52Å; L545-L797 WeakPolarHBondContact CA-O 3.42Å; R546-L797 PolarHBondContact N-O 2.58Å; R546-L797 PolarHBondContact O-N 2.7Å; T548-L797 HydrophobicContact CG2-CD1 4.1Å; T548-L797 WeakPolarHBondContact OG1-CD1 3.42Å; F793-L797 HydrophobicContact CB-CD1 3.87Å; F793-L797 HydrophobicContact CB-CD2 3.95Å; F793-L797 HydrophobicContact CB-CG 4.19Å; F793-L797 HydrophobicContact CD1-CD1 4.19Å; F793-L797 HydrophobicContact CD1-CD2 3.69Å; F793-L797 HydrophobicContact CD2-CD1 3.92Å; F793-L797 HydrophobicContact CE1-CD2 4.43Å; F793-L797 HydrophobicContact CG-CD1 3.72Å; F793-L797 HydrophobicContact CG-CD2 3.93Å; F793-L797 HydrophobicContact CG-CG 4.34Å; L797-T799 HydrophobicContact CB-CG2 4.22Å; L797-T799 PolarHBondContact O-N 3.11Å; L797-S855 WeakPolarHBondContact CD2-OG 3.48Å
798	L	82	Confident	65.1	Low	18 Å²	18	58.2 Å²	58.2	9%	0.094	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	117.1	168.8	-164.2	68.4	0	0	0	108.6	L543 L545 T834 E857 I861	L543-L798 HydrophobicContact CB-CD1 3.72Å; L543-L798 HydrophobicContact CB-CD2 4.32Å; L543-L798 HydrophobicContact CB-CG 3.96Å; L543-L798 HydrophobicContact CD1-CD2 4.31Å; L543-L798 HydrophobicContact CD2-CD2 4.49Å; L543-L798 HydrophobicContact CD2-CG 4.23Å; L545-L798 HydrophobicContact CG-CD1 4.23Å; L798-T834 PolarHBondContact O-OG1 3.08Å; L798-E857 HydrophobicContact CB-CG 4.04Å; L798-E857 HydrophobicContact CD2-CB 3.79Å; L798-E857 HydrophobicContact CD2-CG 4.02Å; L798-I861 HydrophobicContact CD2-CD1 4.35Å; L798-I861 HydrophobicContact CD2-CG1 4.12Å
799	T	86.4	Confident	65.7	Low	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	152.9	-175.7	59.6	0	0	0	0	112.1	V544 R546 L797 E832 F833 T834	V544-T799 PolarHBondContact N-O 2.9Å; V544-T799 PolarHBondContact O-N 2.76Å; V544-T799 PolarHBondContact O-OG1 2.83Å; R546-T799 HydrophobicContact CB-CG2 4.33Å; R546-T799 VanDerWaalsContact CD-OG1 3.26Å; R546-T799 WeakPolarHBondContact CD-OG1 3.22Å; R546-T799 WeakPolarHBondContact CG-OG1 3.4Å; R546-T799 PolarHBondContact NH1-OG1 2.83Å; L797-T799 HydrophobicContact CB-CG2 4.22Å; L797-T799 PolarHBondContact O-N 3.11Å; T799-E832 HydrophobicContact CG2-CG 4.4Å; T799-F833 VanDerWaalsContact CA-O 3.28Å; T799-F833 WeakPolarHBondContact CA-O 3.26Å; T799-T834 VanDerWaalsContact CG2-OG1 3.26Å; T799-T834 WeakPolarHBondContact CG2-OG1 3.46Å
800	F	90.6	Very high	65.9	Low	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	154.4	161.7	61.3	-86.4	0	0	0	111.6	D540 L543 I802 E832 F833 T860 W863 F864 M867	D540-F800 WeakPolarHBondContact OD2-CA 3.26Å; L543-F800 HydrophobicContact CD2-CB 3.82Å; L543-F800 HydrophobicContact CD2-CD1 3.72Å; L543-F800 HydrophobicContact CD2-CG 4.21Å; F800-I802 HydrophobicContact CD2-CD1 4.21Å; F800-I802 HydrophobicContact CD2-CG1 4.08Å; F800-I802 HydrophobicContact CE2-CD1 3.89Å; F800-I802 HydrophobicContact CE2-CG1 4.25Å; F800-E832 WeakPolarHBondContact O-CA 3.48Å; F800-F833 HydrophobicContact CD1-CB 4.13Å; F800-F833 HydrophobicContact CD2-CB 4.08Å; F800-F833 AromaticContact CD2-CD2 3.8Å; F800-F833 HydrophobicContact CD2-CD2 3.8Å; F800-F833 HydrophobicContact CD2-CG 4.21Å; F800-F833 HydrophobicContact CE1-CB 3.75Å; F800-F833 HydrophobicContact CE2-CB 3.67Å; F800-F833 HydrophobicContact CE2-CD1 4.44Å; F800-F833 AromaticContact CE2-CD2 3.52Å; F800-F833 HydrophobicContact CE2-CD2 3.52Å; F800-F833 HydrophobicContact CE2-CE2 4.26Å; F800-F833 AromaticContact CE2-CG 3.64Å; F800-F833 HydrophobicContact CE2-CG 3.64Å; F800-F833 HydrophobicContact CG-CB 4.3Å; F800-F833 HydrophobicContact CZ-CB 3.5Å; F800-F833 HydrophobicContact CZ-CD1 4.48Å; F800-F833 HydrophobicContact CZ-CD2 4.22Å; F800-F833 AromaticContact CZ-CG 3.85Å; F800-F833 HydrophobicContact CZ-CG 3.85Å; F800-F833 PolarHBondContact N-O 2.69Å; F800-F833 VanDerWaalsContact N-O 3.11Å; F800-F833 PolarHBondContact O-N 2.8Å; F800-T860 HydrophobicContact CD1-CG2 3.79Å; F800-T860 HydrophobicContact CE1-CG2 3.89Å; F800-W863 HydrophobicContact CE1-CB 4.19Å; F800-W863 HydrophobicContact CZ-CB 4.08Å; F800-F864 HydrophobicContact CB-CD2 3.61Å; F800-F864 HydrophobicContact CB-CE2 3.88Å; F800-F864 HydrophobicContact CB-CG 4.49Å; F800-F864 HydrophobicContact CD1-CB 3.97Å; F800-F864 HydrophobicContact CD1-CD2 4.21Å; F800-F864 HydrophobicContact CD1-CG 4.5Å; F800-F864 AromaticContact CD2-CD2 3.85Å; F800-F864 HydrophobicContact CD2-CD2 3.85Å; F800-F864 HydrophobicContact CE1-CB 4.08Å; F800-F864 HydrophobicContact CG-CB 4.26Å; F800-F864 AromaticContact CG-CD2 3.65Å; F800-F864 HydrophobicContact CG-CD2 3.65Å; F800-F864 HydrophobicContact CG-CE2 4.38Å; F800-F864 HydrophobicContact CG-CG 4.36Å; F800-F864 HydrophobicContact CZ-CB 4.48Å; F800-M867 HydrophobicContact CE2-CE 4.34Å; F800-M867 HydrophobicContact CE2-SD 3.88Å; F800-M867 HydrophobicContact CZ-CE 4.13Å; F800-M867 HydrophobicContact CZ-SD 4.16Å
801	R	91.2	Very high	66	Low	39 Å²	39	57.9 Å²	57.9	15%	0.147	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	142	176	-68.1	171.3	-176	-175.3	-1.7	111.9	L388 L539 D540 R546 F831 E832	L388-R801 HydrophobicContact CD1-CG 4.19Å; L539-R801 HydrophobicContact CB-CB 4.22Å; L539-R801 HydrophobicContact CD1-CB 4.32Å; L539-R801 PolarHBondContact N-O 3.21Å; D540-R801 WeakPolarHBondContact OD2-CB 3.19Å; D540-R801 WeakPolarHBondContact OD2-CG 3.48Å; D540-R801 PolarHBondContact OD2-N 2.79Å; R546-R801 VanDerWaalsContact CZ-NE 3.35Å; R801-F831 VanDerWaalsContact CA-O 3.23Å; R801-F831 WeakPolarHBondContact CA-O 3.43Å; R801-E832 HydrophobicContact CG-CB 4Å; R801-E832 HydrophobicContact CG-CG 4Å; R801-E832 IonicContact CZ-OE1 3.55Å; R801-E832 IonicContact NE-OE1 3.25Å; R801-E832 PolarHBondContact NE-OE1 3.41Å; R801-E832 IonicContact NH2-OE1 3.9Å; R801-E832 PolarHBondContact NH2-OE1 3.1Å; R801-E832 IonicContact NH2-OE2 3.16Å
802	I	91.6	Very high	65.4	Low	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	131.4	174.7	-61.8	-178.2	0	0	0	108.6	I532 T536 D537 F538 F800 V830 F831 F833 M867	I532-I802 HydrophobicContact CD1-CD1 4.14Å; T536-I802 HydrophobicContact CG2-CG2 3.16Å; D537-I802 WeakPolarHBondContact O-CA 3.31Å; F538-I802 HydrophobicContact CD1-CD1 4.04Å; F538-I802 HydrophobicContact CD1-CG1 3.86Å; F538-I802 HydrophobicContact CE1-CD1 3.55Å; F538-I802 HydrophobicContact CE1-CG1 3.91Å; F538-I802 HydrophobicContact CZ-CD1 4.19Å; F800-I802 HydrophobicContact CD2-CD1 4.21Å; F800-I802 HydrophobicContact CD2-CG1 4.08Å; F800-I802 HydrophobicContact CE2-CD1 3.89Å; F800-I802 HydrophobicContact CE2-CG1 4.25Å; I802-V830 CarbonylContact O-C 3.6Å; I802-V830 WeakPolarHBondContact O-CA 3.34Å; I802-F831 PolarHBondContact N-O 2.86Å; I802-F831 PolarHBondContact O-N 3.33Å; I802-F833 HydrophobicContact CB-CE2 3.95Å; I802-F833 HydrophobicContact CD1-CE2 3.99Å; I802-F833 HydrophobicContact CD1-CZ 4.46Å; I802-F833 HydrophobicContact CG1-CD2 4.43Å; I802-F833 HydrophobicContact CG1-CE2 3.95Å; I802-M867 HydrophobicContact CD1-SD 3.53Å; I802-M867 VanDerWaalsContact CD1-SD 3.53Å
803	A	90.7	Very high	65.3	Low	4 Å²	4	58.2 Å²	58.2	3%	0.033	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.7	164.8	0	0	0	0	0	109.5	D537 L539 V828 E829 V830	D537-A803 HydrophobicContact CB-CB 4.36Å; D537-A803 PolarHBondContact N-O 2.81Å; D537-A803 PolarHBondContact O-N 2.88Å; L539-A803 HydrophobicContact CD1-CB 4.14Å; L539-A803 HydrophobicContact CD2-CB 3.97Å; L539-A803 HydrophobicContact CG-CB 4.01Å; A803-V828 HydrophobicContact CB-CG1 3.95Å; A803-E829 CarbonylContact C-O 3.59Å; A803-E829 WeakPolarHBondContact CA-O 3.24Å; A803-V830 HydrophobicContact CB-CG2 4.1Å
804	T	90.4	Very high	64.6	Low	4 Å²	4	63.2 Å²	63.2	3%	0.025	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	167.1	-177.6	-171.2	0	0	0	0	111.8	I530 P531 T536 V828 E829 F831	I530-T804 HydrophobicContact CG2-CG2 3.93Å; P531-T804 WeakPolarHBondContact O-CB 3.29Å; P531-T804 PolarHBondContact O-OG1 2.87Å; T536-T804 PolarHBondContact OG1-OG1 2.86Å; T804-V828 CarbonylContact O-C 3.53Å; T804-V828 WeakPolarHBondContact O-CA 3.2Å; T804-E829 PolarHBondContact N-O 2.98Å; T804-E829 PolarHBondContact O-N 2.97Å; T804-F831 HydrophobicContact CG2-CD2 4.11Å; T804-F831 HydrophobicContact CG2-CE2 3.95Å
805	C	84	Confident	64.2	Low	16 Å²	16	63.8 Å²	63.8	11%	0.108	34%	0.342	C	S	.	.			trans	-133.8	152.9	179.2	61.8	0	0	0	0	110.2	H533 E535 L807	H533-C805 PolarHBondContact CE1-SG 2.87Å; H533-C805 PolarHBondContact NE2-O 2.81Å; H533-C805 PolarHBondContact NE2-SG 2.84Å; H533-C805 VanDerWaalsContact NE2-SG 3.37Å; E535-C805 PolarHBondContact OE2-SG 2.61Å; C805-L807 PolarHBondContact O-N 2.81Å
806	H	78.8	Confident	63.2	Low	111 Å²	111	65.6 Å²	65.6	51%	0.514	34%	0.343	S	S	.	.			trans	-62.6	128.3	174.7	-74.9	-74	0	0	0	111.2	D808	H806-D808 PolarHBondContact O-N 3.11Å; H806-D808 VanDerWaalsContact O-N 3.11Å
807	L	69.1	Low	61.5	Low	41 Å²	41	70.5 Å²	70.5	22%	0.215	37%	0.366	C	S	.	.	S	Bend	trans	-61.7	-16.7	-176.9	-85.2	166.7	0	0	0	115.2	R407 Y408 P531 H533 C805	R407-L807 HydrophobicContact CB-CD1 3.74Å; Y408-L807 HydrophobicContact CE1-CD1 3.81Å; Y408-L807 HydrophobicContact CE2-CD1 4.32Å; P531-L807 HydrophobicContact CB-CD1 4.23Å; P531-L807 HydrophobicContact CB-CG 4.22Å; H533-L807 HydrophobicContact CB-CD2 3.73Å; H533-L807 HydrophobicContact CB-CG 4.45Å; H533-L807 VanDerWaalsContact CG-CD2 3.43Å; C805-L807 PolarHBondContact O-N 2.81Å
808	D	55.9	Low	59.7	Low	92 Å²	92	75.8 Å²	75.8	49%	0.492	39%	0.394	S	S	.	.			trans	-152	148.3	-178.5	-143.6	-46.2	0	0	0	112	H806 N810 V811	H806-D808 PolarHBondContact O-N 3.11Å; H806-D808 VanDerWaalsContact O-N 3.11Å; D808-N810 PolarHBondContact OD1-N 3.13Å; D808-V811 HydrophobicContact CB-CB 4.11Å; D808-V811 HydrophobicContact CB-CG2 3.67Å
809	R	43	Very low	57.3	Low	196 Å²	196	80.5 Å²	80.5	74%	0.74	43%	0.428	S	S	*	.	S	Bend	trans	-88.1	-19.4	167.5	-79.3	-169.5	177.1	-161.8	-0.7	112.3
810	N	37.1	Very low	55.1	Low	134 Å²	134	88.5 Å²	88.5	72%	0.717	47%	0.466	S	S	*	.	S	Bend	trans	-106.2	-15.9	-166.4	-67.8	-4.2	0	0	0	113.9	D808 S812	D808-N810 PolarHBondContact OD1-N 3.13Å; N810-S812 PolarHBondContact O-N 2.79Å
811	V	37.7	Very low	52.6	Low	94 Å²	94	92.1 Å²	92.1	57%	0.57	48%	0.484	S	S	*	.			trans	-67.5	96	173.4	175.7	0	0	0	0	109.1	D808 S813	D808-V811 HydrophobicContact CB-CB 4.11Å; D808-V811 HydrophobicContact CB-CG2 3.67Å; V811-S813 PolarHBondContact O-N 3.35Å
812	S	28.4	Very low	49.9	Very low	74 Å²	74	99.6 Å²	99.6	52%	0.517	51%	0.513	S	S	.	.			trans	-86.8	82.9	172.1	-65.1	0	0	0	0	108.8	N810 T814 R822	N810-S812 PolarHBondContact O-N 2.79Å; S812-T814 PolarHBondContact O-N 3.46Å; S812-T814 PolarHBondContact O-OG1 2.71Å; S812-R822 PolarHBondContact OG-NH2 2.9Å
813	S	34.8	Very low	47.1	Very low	84 Å²	84	108.7 Å²	108.7	59%	0.587	55%	0.552	S	S	*	*			trans	-66.8	95.8	168.5	41.8	0	0	0	0	109.3	V811 I815	V811-S813 PolarHBondContact O-N 3.35Å; S813-I815 PolarHBondContact O-N 3.11Å
814	T	30.5	Very low	44.3	Very low	136 Å²	136	114.9 Å²	114.9	83%	0.834	59%	0.585	S	S	*	*	S	Bend	trans	-71.1	10.7	-167.9	-18.7	0	0	0	0	115.2	S812	S812-T814 PolarHBondContact O-N 3.46Å; S812-T814 PolarHBondContact O-OG1 2.71Å
815	I	32.2	Very low	41.8	Very low	137 Å²	137	117.8 Å²	117.8	70%	0.703	62%	0.615	S	S	*	*	S	Bend	trans	-142.6	46.3	-164.4	-35.1	179.7	0	0	0	112.6	S813	S813-I815 PolarHBondContact O-N 3.11Å
816	H	34.2	Very low	40.2	Very low	100 Å²	100	120.6 Å²	120.6	46%	0.463	64%	0.635	S	S	.	*			trans	-141	131.3	166.5	-74.7	-84.1	0	0	0	112.2	L818	H816-L818 PolarHBondContact O-N 2.77Å
817	H	28.9	Very low	39.7	Very low	200 Å²	200	117.5 Å²	117.5	93%	0.926	63%	0.626	S	S	*	*	S	Bend	trans	-77.7	75.7	179.5	-88.5	-99.7	0	0	0	112.2
818	L	35.8	Very low	40.2	Very low	112 Å²	112	117.9 Å²	117.9	59%	0.586	63%	0.63	S	S	*	*			trans	-153.6	51.8	171.4	-114.6	159.5	0	0	0	113.1	H816 E820 L821	H816-L818 PolarHBondContact O-N 2.77Å; L818-E820 PolarHBondContact O-N 2.84Å; L818-L821 HydrophobicContact CB-CD1 4.39Å; L818-L821 HydrophobicContact CD2-CD1 4.13Å; L818-L821 HydrophobicContact CD2-CG 4.17Å; L818-L821 PolarHBondContact O-N 2.92Å
819	S	33.3	Very low	41.7	Very low	117 Å²	117	114.7 Å²	114.7	82%	0.818	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-60	-10.7	-174.2	-53.6	0	0	0	0	116.1
820	E	39.7	Very low	44	Very low	168 Å²	168	105.6 Å²	105.6	79%	0.785	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-78.1	-24.1	-176	-58.8	-159.6	121.8	0	0	114.2	L818 R822	L818-E820 PolarHBondContact O-N 2.84Å; E820-R822 PolarHBondContact O-N 2.82Å
821	L	37.8	Very low	46.6	Very low	75 Å²	75	99.6 Å²	99.6	39%	0.393	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	-68.4	-4	-173	-68	171.2	0	0	0	114.8	L818	L818-L821 HydrophobicContact CB-CD1 4.39Å; L818-L821 HydrophobicContact CD2-CD1 4.13Å; L818-L821 HydrophobicContact CD2-CG 4.17Å; L818-L821 PolarHBondContact O-N 2.92Å
822	R	33.3	Very low	49.2	Very low	196 Å²	196	95.1 Å²	95.1	74%	0.74	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-86.6	-5.4	-171.2	-111.8	178.4	-177.4	173.7	1	116.5	S812 E820	S812-R822 PolarHBondContact OG-NH2 2.9Å; E820-R822 PolarHBondContact O-N 2.82Å
823	K	34.5	Very low	52.2	Low	192 Å²	192	91.6 Å²	91.6	84%	0.835	49%	0.494	S	S	*	.	S	Bend	trans	-79.3	-24.9	-166.9	-79.3	-177.2	176.8	172.4	0	116.7
824	N	30.9	Very low	54.8	Low	134 Å²	134	87.6 Å²	87.6	72%	0.717	47%	0.466	S	S	*	.	S	Bend	trans	-123.1	120.7	-179.1	-75.4	-39.8	0	0	0	111.2	S826	N824-S826 PolarHBondContact O-N 3.49Å
825	G	38.5	Very low	57.7	Low	64 Å²	64	81.1 Å²	81.1	66%	0.66	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	118.1	-172.8	0	0	0	0	0	113.3
826	S	50.4	Low	60.1	Low	75 Å²	75	74.6 Å²	74.6	52%	0.524	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	53.5	-180	-166	0	0	0	0	114.6	N824 V828	N824-S826 PolarHBondContact O-N 3.49Å; S826-V828 PolarHBondContact O-N 3.19Å
827	S	68	Low	62	Low	46 Å²	46	76.3 Å²	76.3	32%	0.322	40%	0.401	S	S	.	.			trans	-60.6	116.1	160.9	45.2	0	0	0	0	110.7
828	V	80.2	Confident	63.6	Low	49 Å²	49	68.1 Å²	68.1	30%	0.297	36%	0.364	S	S	.	.			trans	-72.5	128.9	160.7	177.3	0	0	0	0	107.1	A803 T804 S826	A803-V828 HydrophobicContact CB-CG1 3.95Å; T804-V828 CarbonylContact O-C 3.53Å; T804-V828 WeakPolarHBondContact O-CA 3.2Å; S826-V828 PolarHBondContact O-N 3.19Å
829	E	87.6	Confident	64.4	Low	26 Å²	26	68.7 Å²	68.7	12%	0.121	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	139.8	179.8	-48.2	-143.3	135.8	0	0	109.3	K387 A803 T804 F831	K387-E829 VanDerWaalsContact CE-CD 3.49Å; K387-E829 WeakPolarHBondContact CE-OE1 3.46Å; K387-E829 VanDerWaalsContact CE-OE2 3.23Å; K387-E829 WeakPolarHBondContact CE-OE2 3.24Å; K387-E829 IonicContact NZ-OE1 2.65Å; K387-E829 PolarHBondContact NZ-OE1 3.25Å; K387-E829 IonicContact NZ-OE2 3.94Å; K387-E829 PolarHBondContact NZ-OE2 3.23Å; A803-E829 CarbonylContact C-O 3.59Å; A803-E829 WeakPolarHBondContact CA-O 3.24Å; T804-E829 PolarHBondContact N-O 2.98Å; T804-E829 PolarHBondContact O-N 2.97Å; E829-F831 HydrophobicContact CB-CD2 4.49Å; E829-F831 HydrophobicContact CB-CE2 3.73Å; E829-F831 HydrophobicContact CB-CZ 4.26Å
830	V	90	Very high	65.1	Low	5 Å²	5	70 Å²	70	3%	0.03	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129	178.5	-172.4	0	0	0	0	109.2	L388 L539 F737 I802 A803	L388-V830 HydrophobicContact CB-CB 4.32Å; L388-V830 HydrophobicContact CB-CG1 4.46Å; L388-V830 HydrophobicContact CD1-CG1 4.02Å; L388-V830 PolarHBondContact N-O 2.9Å; L539-V830 HydrophobicContact CD1-CG1 3.57Å; L539-V830 HydrophobicContact CD1-CG2 4.26Å; F737-V830 HydrophobicContact CE2-CG1 4.29Å; F737-V830 HydrophobicContact CZ-CG1 4.26Å; I802-V830 CarbonylContact O-C 3.6Å; I802-V830 WeakPolarHBondContact O-CA 3.34Å; A803-V830 HydrophobicContact CB-CG2 4.1Å
831	F	92	Very high	65.1	Low	7 Å²	7	67.9 Å²	67.9	3%	0.031	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	148.2	176.9	-63	-90.5	0	0	0	110.2	I385 R386 K387 L528 I530 R801 I802 T804 E829 F833	I385-F831 HydrophobicContact CG2-CD1 4.17Å; R386-F831 CarbonylContact O-C 3.58Å; R386-F831 WeakPolarHBondContact O-CA 3.5Å; K387-F831 HydrophobicContact CB-CD1 4.01Å; K387-F831 HydrophobicContact CB-CE1 3.84Å; K387-F831 HydrophobicContact CD-CE1 4.17Å; K387-F831 HydrophobicContact CD-CZ 4.32Å; K387-F831 HydrophobicContact CG-CD1 4.48Å; K387-F831 HydrophobicContact CG-CE1 4.09Å; K387-F831 HydrophobicContact CG-CZ 4.46Å; L528-F831 HydrophobicContact CD1-CE1 4.29Å; I530-F831 HydrophobicContact CD1-CB 4.38Å; I530-F831 HydrophobicContact CD1-CD1 3.69Å; I530-F831 HydrophobicContact CD1-CD2 4.28Å; I530-F831 HydrophobicContact CD1-CE1 3.96Å; I530-F831 HydrophobicContact CD1-CG 3.87Å; I530-F831 HydrophobicContact CD1-CZ 4.38Å; I530-F831 HydrophobicContact CG1-CD1 4.3Å; I530-F831 HydrophobicContact CG1-CE1 4.08Å; I530-F831 HydrophobicContact CG1-CE2 4.32Å; I530-F831 HydrophobicContact CG1-CZ 4.1Å; I530-F831 HydrophobicContact CG2-CD2 3.9Å; I530-F831 HydrophobicContact CG2-CE2 3.94Å; I530-F831 HydrophobicContact CG2-CG 4.47Å; R801-F831 VanDerWaalsContact CA-O 3.23Å; R801-F831 WeakPolarHBondContact CA-O 3.43Å; I802-F831 PolarHBondContact N-O 2.86Å; I802-F831 PolarHBondContact O-N 3.33Å; T804-F831 HydrophobicContact CG2-CD2 4.11Å; T804-F831 HydrophobicContact CG2-CE2 3.95Å; E829-F831 HydrophobicContact CB-CD2 4.49Å; E829-F831 HydrophobicContact CB-CE2 3.73Å; E829-F831 HydrophobicContact CB-CZ 4.26Å; F831-F833 HydrophobicContact CB-CD2 4.41Å; F831-F833 HydrophobicContact CB-CE2 3.47Å; F831-F833 VanDerWaalsContact CB-CE2 3.47Å; F831-F833 HydrophobicContact CB-CZ 3.55Å; F831-F833 HydrophobicContact CG-CZ 4.4Å
832	E	91.4	Very high	65.4	Low	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137	175	-175.9	167.7	-120.6	0	0	109.9	I385 R386 L388 M397 R546 T799 F800 R801	I385-E832 WeakPolarHBondContact CA-O 3.06Å; R386-E832 HydrophobicContact CG-CB 4.1Å; R386-E832 IonicContact CZ-OE2 3.19Å; R386-E832 PolarHBondContact N-O 3.49Å; R386-E832 IonicContact NE-OE2 2.8Å; R386-E832 PolarHBondContact NE-OE2 2.9Å; R386-E832 IonicContact NH2-OE2 2.72Å; R386-E832 PolarHBondContact NH2-OE2 3.07Å; R386-E832 PolarHBondContact O-N 3.33Å; L388-E832 HydrophobicContact CD1-CB 4.14Å; L388-E832 HydrophobicContact CD2-CB 4.21Å; L388-E832 HydrophobicContact CG-CB 4.14Å; M397-E832 HydrophobicContact CE-CG 4.37Å; M397-E832 WeakPolarHBondContact CE-O 3.44Å; R546-E832 VanDerWaalsContact CD-OE1 3.3Å; R546-E832 WeakPolarHBondContact CD-OE1 3.48Å; R546-E832 IonicContact CZ-OE1 3.99Å; R546-E832 IonicContact NE-OE1 2.64Å; R546-E832 IonicContact NH1-OE1 1.81Å; R546-E832 PolarHBondContact NH1-OE1 2.96Å; T799-E832 HydrophobicContact CG2-CG 4.4Å; F800-E832 WeakPolarHBondContact O-CA 3.48Å; R801-E832 HydrophobicContact CG-CB 4Å; R801-E832 HydrophobicContact CG-CG 4Å; R801-E832 IonicContact CZ-OE1 3.55Å; R801-E832 IonicContact NE-OE1 3.25Å; R801-E832 PolarHBondContact NE-OE1 3.41Å; R801-E832 IonicContact NH2-OE1 3.9Å; R801-E832 PolarHBondContact NH2-OE1 3.1Å; R801-E832 IonicContact NH2-OE2 3.16Å
833	F	92.4	Very high	66	Low	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139.8	-168.7	-56.6	-96.1	0	0	0	111.7	L383 W384 I385 L409 I530 T799 F800 I802 F831	L383-F833 HydrophobicContact CD1-CD1 4.21Å; W384-F833 WeakPolarHBondContact O-CA 3.21Å; I385-F833 HydrophobicContact CD1-CD1 4.14Å; I385-F833 HydrophobicContact CD1-CE1 3.92Å; I385-F833 HydrophobicContact CG1-CD1 3.84Å; I385-F833 HydrophobicContact CG1-CE1 4.06Å; I385-F833 HydrophobicContact CG2-CD1 4.35Å; I385-F833 HydrophobicContact CG2-CE1 4.09Å; L409-F833 HydrophobicContact CD2-CE1 3.83Å; I530-F833 HydrophobicContact CD1-CE1 3.88Å; I530-F833 HydrophobicContact CD1-CZ 3.81Å; T799-F833 VanDerWaalsContact CA-O 3.28Å; T799-F833 WeakPolarHBondContact CA-O 3.26Å; F800-F833 HydrophobicContact CD1-CB 4.13Å; F800-F833 HydrophobicContact CD2-CB 4.08Å; F800-F833 AromaticContact CD2-CD2 3.8Å; F800-F833 HydrophobicContact CD2-CD2 3.8Å; F800-F833 HydrophobicContact CD2-CG 4.21Å; F800-F833 HydrophobicContact CE1-CB 3.75Å; F800-F833 HydrophobicContact CE2-CB 3.67Å; F800-F833 HydrophobicContact CE2-CD1 4.44Å; F800-F833 AromaticContact CE2-CD2 3.52Å; F800-F833 HydrophobicContact CE2-CD2 3.52Å; F800-F833 HydrophobicContact CE2-CE2 4.26Å; F800-F833 AromaticContact CE2-CG 3.64Å; F800-F833 HydrophobicContact CE2-CG 3.64Å; F800-F833 HydrophobicContact CG-CB 4.3Å; F800-F833 HydrophobicContact CZ-CB 3.5Å; F800-F833 HydrophobicContact CZ-CD1 4.48Å; F800-F833 HydrophobicContact CZ-CD2 4.22Å; F800-F833 AromaticContact CZ-CG 3.85Å; F800-F833 HydrophobicContact CZ-CG 3.85Å; F800-F833 PolarHBondContact N-O 2.69Å; F800-F833 VanDerWaalsContact N-O 3.11Å; F800-F833 PolarHBondContact O-N 2.8Å; I802-F833 HydrophobicContact CB-CE2 3.95Å; I802-F833 HydrophobicContact CD1-CE2 3.99Å; I802-F833 HydrophobicContact CD1-CZ 4.46Å; I802-F833 HydrophobicContact CG1-CD2 4.43Å; I802-F833 HydrophobicContact CG1-CE2 3.95Å; F831-F833 HydrophobicContact CB-CD2 4.41Å; F831-F833 HydrophobicContact CB-CE2 3.47Å; F831-F833 VanDerWaalsContact CB-CE2 3.47Å; F831-F833 HydrophobicContact CB-CZ 3.55Å; F831-F833 HydrophobicContact CG-CZ 4.4Å
834	T	90.1	Very high	66.4	Low	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	140.1	163.8	-88.1	0	0	0	0	107.2	W384 L798 T799	W384-T834 PolarHBondContact N-O 3.36Å; W384-T834 PolarHBondContact O-N 3.5Å; W384-T834 VanDerWaalsContact O-N 3.08Å; L798-T834 PolarHBondContact O-OG1 3.08Å; T799-T834 VanDerWaalsContact CG2-OG1 3.26Å; T799-T834 WeakPolarHBondContact CG2-OG1 3.46Å
835	A	89.6	Confident	66.8	Low	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	156.9	176.2	0	0	0	0	0	112.8	L383 S855 D856 E859 T860	L383-A835 HydrophobicContact CD2-CB 3.8Å; A835-S855 WeakPolarHBondContact O-CA 3.35Å; A835-D856 PolarHBondContact O-N 2.95Å; A835-E859 HydrophobicContact CB-CB 4.08Å; A835-E859 HydrophobicContact CB-CG 3.59Å; A835-T860 WeakPolarHBondContact CB-OG1 3.34Å; A835-T860 PolarHBondContact N-OG1 2.99Å
836	T	83.3	Confident	67	Low	1 Å²	1	57.6 Å²	57.6	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	143.4	171.2	-174.9	0	0	0	0	108.7	Y382 L399 K854	Y382-T836 PolarHBondContact O-N 3.16Å; Y382-T836 VanDerWaalsContact O-N 3.16Å; L399-T836 HydrophobicContact CD1-CG2 3.72Å; T836-K854 PolarHBondContact OG1-O 3.13Å; T836-K854 VanDerWaalsContact OG1-O 3.1Å
837	Q	73.9	Confident	66.6	Low	136 Å²	136	60 Å²	60	64%	0.636	31%	0.308	S	S	*	.			trans	-88.2	140	170	-152.6	172.7	110.9	0	0	109	D856	Q837-D856 HydrophobicContact CB-CB 4.26Å; Q837-D856 WeakPolarHBondContact CB-OD2 3.27Å; Q837-D856 PolarHBondContact NE2-OD2 2.83Å
838	M	63.7	Low	64.8	Low	28 Å²	28	65.5 Å²	65.5	14%	0.138	33%	0.329	C	S	.	.			trans	-134.4	144.6	161.8	-56.2	-156.5	-50.2	0	0	107.4	Y382 L843 F853	Y382-M838 HydrophobicContact CD1-CE 4.26Å; Y382-M838 HydrophobicContact CD2-CB 3.98Å; Y382-M838 HydrophobicContact CD2-CE 4.13Å; Y382-M838 HydrophobicContact CD2-CG 3.96Å; Y382-M838 HydrophobicContact CE1-CE 3.84Å; Y382-M838 HydrophobicContact CE2-CB 3.87Å; Y382-M838 HydrophobicContact CE2-CE 3.7Å; Y382-M838 HydrophobicContact CE2-CG 4.22Å; Y382-M838 HydrophobicContact CG-CE 4.4Å; M838-L843 HydrophobicContact CE-CD1 4.1Å; M838-F853 HydrophobicContact SD-CD1 4.38Å; M838-F853 HydrophobicContact SD-CE1 3.71Å
839	M	51.5	Low	62.3	Low	124 Å²	124	68 Å²	68	61%	0.611	35%	0.349	S	S	*	.			trans	-77.8	148.8	164.9	-64.4	-140.8	69.1	0	0	109.6	N841 D842	M839-N841 PolarHBondContact O-N 3.39Å; M839-N841 VanDerWaalsContact O-N 3.09Å; M839-D842 WeakPolarHBondContact CA-OD2 3.25Å; M839-D842 WeakPolarHBondContact CB-OD2 3.48Å; M839-D842 PolarHBondContact N-OD2 3.08Å; M839-D842 WeakPolarHBondContact O-CB 3.44Å; M839-D842 PolarHBondContact O-N 3.17Å
840	E	49.3	Very low	59.8	Low	144 Å²	144	72 Å²	72	67%	0.673	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-16	-177.3	-153.7	162.9	-138.7	0	0	112.5
841	N	39.8	Very low	57.4	Low	123 Å²	123	74.3 Å²	74.3	66%	0.658	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-12.9	173.9	-58.7	-10.4	0	0	0	114.1	M839 L843	M839-N841 PolarHBondContact O-N 3.39Å; M839-N841 VanDerWaalsContact O-N 3.09Å; N841-L843 VanDerWaalsContact C-N 3.29Å
842	D	43.5	Very low	55.2	Low	54 Å²	54	79.5 Å²	79.5	29%	0.289	43%	0.426	S	S	.	.	S	Bend	trans	-82.4	-12.1	-175	-56.6	-27.4	0	0	0	111.9	M839 D844 Q845 L846	M839-D842 WeakPolarHBondContact CA-OD2 3.25Å; M839-D842 WeakPolarHBondContact CB-OD2 3.48Å; M839-D842 PolarHBondContact N-OD2 3.08Å; M839-D842 WeakPolarHBondContact O-CB 3.44Å; M839-D842 PolarHBondContact O-N 3.17Å; D842-D844 VanDerWaalsContact C-N 3.28Å; D842-D844 PolarHBondContact O-N 2.86Å; D842-Q845 CarbonylContact O-C 3.36Å; D842-Q845 WeakPolarHBondContact O-CA 3.33Å; D842-Q845 PolarHBondContact O-N 2.98Å; D842-L846 PolarHBondContact O-N 2.92Å; D842-L846 VanDerWaalsContact O-N 3.08Å
843	L	46.5	Very low	53.3	Low	91 Å²	91	80.7 Å²	80.7	48%	0.476	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-34.5	-176.7	-156.2	77.9	0	0	0	112.4	M838 N841 L846	M838-L843 HydrophobicContact CE-CD1 4.1Å; N841-L843 VanDerWaalsContact C-N 3.29Å; L843-L846 HydrophobicContact CD1-CD1 3.83Å; L843-L846 HydrophobicContact CG-CD1 4.39Å
844	D	42	Very low	51.7	Low	137 Å²	137	88.4 Å²	88.4	73%	0.733	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-26.2	175	-62.7	-34.1	0	0	0	112	D842	D842-D844 VanDerWaalsContact C-N 3.28Å; D842-D844 PolarHBondContact O-N 2.86Å
845	Q	39.5	Very low	50.6	Low	115 Å²	115	89.7 Å²	89.7	54%	0.537	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-84.3	-12	179	-73.3	174	88.5	0	0	113.7	D842 N847 E848	D842-Q845 CarbonylContact O-C 3.36Å; D842-Q845 WeakPolarHBondContact O-CA 3.33Å; D842-Q845 PolarHBondContact O-N 2.98Å; Q845-N847 PolarHBondContact O-N 3.03Å; Q845-E848 PolarHBondContact O-N 2.86Å
846	L	43.2	Very low	50.1	Low	49 Å²	49	90.9 Å²	90.9	26%	0.257	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-54.9	-20.3	174.1	-76.3	173.1	0	0	0	113.8	D842 L843 T851 F853	D842-L846 PolarHBondContact O-N 2.92Å; D842-L846 VanDerWaalsContact O-N 3.08Å; L843-L846 HydrophobicContact CD1-CD1 3.83Å; L843-L846 HydrophobicContact CG-CD1 4.39Å; L846-T851 HydrophobicContact CD2-CG2 4.18Å; L846-F853 HydrophobicContact CD2-CE1 4.13Å; L846-F853 HydrophobicContact CD2-CZ 3.76Å
847	N	41	Very low	50	Low	124 Å²	124	95.3 Å²	95.3	66%	0.663	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-82.7	-19	-179.8	-61.7	-39.3	0	0	0	113.7	Q845	Q845-N847 PolarHBondContact O-N 3.03Å
848	E	29.4	Very low	50.5	Low	162 Å²	162	96.4 Å²	96.4	76%	0.757	51%	0.506	S	S	*	.	S	Bend	trans	-115.8	98.9	-175.9	-68.2	-161.9	153.7	0	0	112.8	Q845	Q845-E848 PolarHBondContact O-N 2.86Å
849	S	29	Very low	51.6	Low	103 Å²	103	96.5 Å²	96.5	72%	0.72	51%	0.506	S	S	*	.	S	Bend	trans	59.8	96.2	165	63.5	0	0	0	0	118	T851	S849-T851 PolarHBondContact O-N 2.89Å
850	S	35.6	Very low	53.4	Low	108 Å²	108	90.6 Å²	90.6	76%	0.755	48%	0.477	S	S	*	.			trans	52.9	57.2	151.7	57.5	0	0	0	0	116.3	V852	S850-V852 WeakPolarHBondContact O-CG2 3.43Å; S850-V852 PolarHBondContact O-N 2.91Å
851	T	38	Very low	55.2	Low	54 Å²	54	86.9 Å²	86.9	33%	0.331	46%	0.461	S	S	.	.			trans	-61.5	98.1	168.3	53.7	0	0	0	0	110.4	L846 S849 F853	L846-T851 HydrophobicContact CD2-CG2 4.18Å; S849-T851 PolarHBondContact O-N 2.89Å; T851-F853 WeakPolarHBondContact O-CD2 3.17Å; T851-F853 PolarHBondContact O-N 3.35Å
852	V	46.4	Very low	57.6	Low	116 Å²	116	82.8 Å²	82.8	70%	0.703	44%	0.444	S	S	*	.			trans	-73	89.2	-178.6	-177.6	0	0	0	0	109.7	S850 K854	S850-V852 WeakPolarHBondContact O-CG2 3.43Å; S850-V852 PolarHBondContact O-N 2.91Å; V852-K854 PolarHBondContact O-N 3.08Å; V852-K854 VanDerWaalsContact O-N 3.16Å
853	F	52.2	Low	59.9	Low	26 Å²	26	80.2 Å²	80.2	11%	0.114	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-56	117.7	171.3	-55.9	-75.4	0	0	0	109.8	W384 L399 F793 M838 L846 T851	W384-F853 HydrophobicContact CH2-CD2 4.45Å; W384-F853 HydrophobicContact CZ2-CB 4.09Å; W384-F853 AromaticContact CZ2-CD2 3.88Å; W384-F853 HydrophobicContact CZ2-CD2 3.88Å; W384-F853 HydrophobicContact CZ2-CE2 4.48Å; W384-F853 AromaticContact CZ2-CG 3.92Å; W384-F853 HydrophobicContact CZ2-CG 3.92Å; L399-F853 HydrophobicContact CD2-CD1 4.33Å; L399-F853 HydrophobicContact CD2-CE1 3.92Å; L399-F853 HydrophobicContact CD2-CZ 4.15Å; F793-F853 WeakPolarHBondContact CE1-O 3.49Å; M838-F853 HydrophobicContact SD-CD1 4.38Å; M838-F853 HydrophobicContact SD-CE1 3.71Å; L846-F853 HydrophobicContact CD2-CE1 4.13Å; L846-F853 HydrophobicContact CD2-CZ 3.76Å; T851-F853 WeakPolarHBondContact O-CD2 3.17Å; T851-F853 PolarHBondContact O-N 3.35Å
854	K	57.7	Low	62.1	Low	161 Å²	161	77 Å²	77	70%	0.7	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-103.4	137.3	171.3	-70.2	179.7	179.6	176	0	108.6	T836 V852 D856	T836-K854 PolarHBondContact OG1-O 3.13Å; T836-K854 VanDerWaalsContact OG1-O 3.1Å; V852-K854 PolarHBondContact O-N 3.08Å; V852-K854 VanDerWaalsContact O-N 3.16Å; K854-D856 PolarHBondContact O-N 3.47Å
855	S	67.8	Low	64.4	Low	28 Å²	28	72.4 Å²	72.4	20%	0.196	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-60.3	129.7	168.4	50.2	0	0	0	0	110	L797 A835	L797-S855 WeakPolarHBondContact CD2-OG 3.48Å; A835-S855 WeakPolarHBondContact O-CA 3.35Å
856	D	79.4	Confident	66.9	Low	25 Å²	25	68 Å²	68	13%	0.134	37%	0.371	C	S	.	.			trans	-97	113.3	173	179.1	-15.9	0	0	0	108.3	A835 Q837 K854 E858 E859 T860	A835-D856 PolarHBondContact O-N 2.95Å; Q837-D856 HydrophobicContact CB-CB 4.26Å; Q837-D856 WeakPolarHBondContact CB-OD2 3.27Å; Q837-D856 PolarHBondContact NE2-OD2 2.83Å; K854-D856 PolarHBondContact O-N 3.47Å; D856-E858 PolarHBondContact OD1-N 3.46Å; D856-E859 HydrophobicContact CB-CB 3.79Å; D856-E859 PolarHBondContact OD1-N 2.75Å; D856-E859 VanDerWaalsContact OD2-CB 3.29Å; D856-E859 WeakPolarHBondContact OD2-CB 3.17Å; D856-T860 VanDerWaalsContact O-CB 3.29Å; D856-T860 WeakPolarHBondContact O-CB 3.32Å; D856-T860 PolarHBondContact O-N 2.95Å; D856-T860 PolarHBondContact O-OG1 2.68Å
857	E	79.9	Confident	69.3	Low	93 Å²	93	65.6 Å²	65.6	44%	0.435	36%	0.359	S	S	.	.	H	α-helix	trans	-69.1	-39.4	-179.8	-63.9	-165.5	162.3	0	0	112	L798 T860 I861	L798-E857 HydrophobicContact CB-CG 4.04Å; L798-E857 HydrophobicContact CD2-CB 3.79Å; L798-E857 HydrophobicContact CD2-CG 4.02Å; E857-T860 PolarHBondContact O-N 3.33Å; E857-I861 WeakPolarHBondContact O-CB 3.27Å; E857-I861 WeakPolarHBondContact O-CD1 3.29Å; E857-I861 WeakPolarHBondContact O-CG1 3.08Å; E857-I861 PolarHBondContact O-N 3.36Å
858	E	84.7	Confident	71.7	Confident	159 Å²	159	62.5 Å²	62.5	74%	0.743	34%	0.339	S	S	*	.	H	α-helix	trans	-68	-44	179.6	-64.3	-168.5	-178.9	0	0	110.9	D856 T860 I861 A862	D856-E858 PolarHBondContact OD1-N 3.46Å; E858-T860 VanDerWaalsContact C-N 3.34Å; E858-T860 PolarHBondContact O-N 3.21Å; E858-I861 PolarHBondContact O-N 2.92Å; E858-A862 WeakPolarHBondContact O-CB 3.35Å; E858-A862 PolarHBondContact O-N 3.27Å
859	E	87.9	Confident	74.7	Confident	30 Å²	30	59 Å²	59	14%	0.14	32%	0.322	C	S	.	.	H	α-helix	trans	-65.7	-36.7	174.9	179.3	65.2	-179.3	0	0	111.3	K379 A835 D856 A862 W863	K379-E859 VanDerWaalsContact CE-CD 3.44Å; K379-E859 WeakPolarHBondContact CE-OE1 3.4Å; K379-E859 VanDerWaalsContact CE-OE2 3.24Å; K379-E859 WeakPolarHBondContact CE-OE2 3.48Å; K379-E859 IonicContact NZ-OE1 3.78Å; K379-E859 PolarHBondContact NZ-OE1 2.67Å; K379-E859 IonicContact NZ-OE2 3.72Å; K379-E859 PolarHBondContact NZ-OE2 2.81Å; A835-E859 HydrophobicContact CB-CB 4.08Å; A835-E859 HydrophobicContact CB-CG 3.59Å; D856-E859 HydrophobicContact CB-CB 3.79Å; D856-E859 PolarHBondContact OD1-N 2.75Å; D856-E859 VanDerWaalsContact OD2-CB 3.29Å; D856-E859 WeakPolarHBondContact OD2-CB 3.17Å; E859-A862 WeakPolarHBondContact O-CB 3.39Å; E859-A862 PolarHBondContact O-N 3.28Å; E859-W863 PolarHBondContact O-N 2.97Å; E859-W863 PolarHBondContact OE1-NE1 2.83Å
860	T	88.5	Confident	77.7	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.9	-43.2	174.1	-58	0	0	0	0	111.3	L543 F800 A835 D856 E857 E858 A862 W863 F864	L543-T860 HydrophobicContact CD2-CG2 3.77Å; F800-T860 HydrophobicContact CD1-CG2 3.79Å; F800-T860 HydrophobicContact CE1-CG2 3.89Å; A835-T860 WeakPolarHBondContact CB-OG1 3.34Å; A835-T860 PolarHBondContact N-OG1 2.99Å; D856-T860 VanDerWaalsContact O-CB 3.29Å; D856-T860 WeakPolarHBondContact O-CB 3.32Å; D856-T860 PolarHBondContact O-N 2.95Å; D856-T860 PolarHBondContact O-OG1 2.68Å; E857-T860 PolarHBondContact O-N 3.33Å; E858-T860 VanDerWaalsContact C-N 3.34Å; E858-T860 PolarHBondContact O-N 3.21Å; T860-A862 VanDerWaalsContact C-N 3.32Å; T860-A862 PolarHBondContact O-N 2.98Å; T860-W863 PolarHBondContact O-N 2.83Å; T860-F864 WeakPolarHBondContact O-CB 3.49Å; T860-F864 PolarHBondContact O-N 2.9Å
861	I	87.6	Confident	80.3	Confident	67 Å²	67	49.5 Å²	49.5	34%	0.344	26%	0.255	S	S	.	.	H	α-helix	trans	-60.3	-42.5	172.2	-69.4	159.3	0	0	0	110.5	L543 L798 E857 E858 F864 S865	L543-I861 HydrophobicContact CD1-CB 4.24Å; L543-I861 HydrophobicContact CD1-CG1 3.49Å; L543-I861 VanDerWaalsContact CD1-CG1 3.49Å; L798-I861 HydrophobicContact CD2-CD1 4.35Å; L798-I861 HydrophobicContact CD2-CG1 4.12Å; E857-I861 WeakPolarHBondContact O-CB 3.27Å; E857-I861 WeakPolarHBondContact O-CD1 3.29Å; E857-I861 WeakPolarHBondContact O-CG1 3.08Å; E857-I861 PolarHBondContact O-N 3.36Å; E858-I861 PolarHBondContact O-N 2.92Å; I861-F864 PolarHBondContact O-N 3.12Å; I861-S865 VanDerWaalsContact O-CB 3.28Å; I861-S865 WeakPolarHBondContact O-CB 3.25Å; I861-S865 PolarHBondContact O-N 2.78Å
862	A	89.8	Confident	82.9	Confident	37 Å²	37	52 Å²	52	31%	0.306	26%	0.262	S	S	.	.	H	α-helix	trans	-63.9	-43.7	179.4	0	0	0	0	0	112.1	E858 E859 T860 S865 I866	E858-A862 WeakPolarHBondContact O-CB 3.35Å; E858-A862 PolarHBondContact O-N 3.27Å; E859-A862 WeakPolarHBondContact O-CB 3.39Å; E859-A862 PolarHBondContact O-N 3.28Å; T860-A862 VanDerWaalsContact C-N 3.32Å; T860-A862 PolarHBondContact O-N 2.98Å; A862-S865 PolarHBondContact O-N 2.77Å; A862-I866 WeakPolarHBondContact O-CG2 3.45Å; A862-I866 PolarHBondContact O-N 3.23Å
863	W	92.9	Very high	85.1	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.9	-48.8	174.3	-84.6	110.4	0	0	0	112.6	K379 L383 C402 L404 L409 F800 E859 T860 S865 I866 M867	K379-W863 HydrophobicContact CB-CE3 4.43Å; K379-W863 HydrophobicContact CB-CH2 4.22Å; K379-W863 HydrophobicContact CB-CZ3 4.06Å; K379-W863 HydrophobicContact CD-CD2 3.78Å; K379-W863 HydrophobicContact CD-CE3 3.98Å; K379-W863 HydrophobicContact CD-CG 4.2Å; K379-W863 HydrophobicContact CD-CZ2 4.32Å; K379-W863 HydrophobicContact CD-CZ3 4.36Å; K379-W863 HydrophobicContact CG-CD2 4.28Å; K379-W863 HydrophobicContact CG-CE3 4.25Å; K379-W863 HydrophobicContact CG-CH2 3.99Å; K379-W863 HydrophobicContact CG-CZ2 3.97Å; K379-W863 HydrophobicContact CG-CZ3 4.11Å; L383-W863 HydrophobicContact CD1-CD2 3.82Å; L383-W863 HydrophobicContact CD1-CE3 4.04Å; L383-W863 HydrophobicContact CD1-CG 4.28Å; L383-W863 HydrophobicContact CD1-CH2 4.31Å; L383-W863 HydrophobicContact CD1-CZ2 4.13Å; L383-W863 HydrophobicContact CD1-CZ3 4.27Å; L383-W863 HydrophobicContact CD2-CB 4.33Å; L383-W863 HydrophobicContact CD2-CD2 4.22Å; L383-W863 HydrophobicContact CD2-CG 3.84Å; L383-W863 HydrophobicContact CG-CD2 4.18Å; L383-W863 HydrophobicContact CG-CG 4.33Å; L383-W863 HydrophobicContact CG-CZ2 4.32Å; C402-W863 HydrophobicContact CB-CH2 3.92Å; C402-W863 HydrophobicContact CB-CZ2 4.17Å; L404-W863 HydrophobicContact CB-CZ3 4.04Å; L409-W863 HydrophobicContact CD1-CE3 4.48Å; L409-W863 HydrophobicContact CD1-CH2 4.1Å; L409-W863 HydrophobicContact CD1-CZ3 3.64Å; F800-W863 HydrophobicContact CE1-CB 4.19Å; F800-W863 HydrophobicContact CZ-CB 4.08Å; E859-W863 PolarHBondContact O-N 2.97Å; E859-W863 PolarHBondContact OE1-NE1 2.83Å; T860-W863 PolarHBondContact O-N 2.83Å; W863-S865 VanDerWaalsContact C-N 3.32Å; W863-S865 PolarHBondContact O-N 3.33Å; W863-I866 HydrophobicContact CE3-CG2 4.26Å; W863-I866 WeakPolarHBondContact O-CG2 3.43Å; W863-I866 PolarHBondContact O-N 3.29Å; W863-M867 HydrophobicContact CD2-CE 4.37Å; W863-M867 HydrophobicContact CE3-CE 3.61Å; W863-M867 HydrophobicContact CZ3-CE 4.19Å; W863-M867 WeakPolarHBondContact O-CB 3.48Å; W863-M867 VanDerWaalsContact O-CG 3.29Å; W863-M867 WeakPolarHBondContact O-CG 3.42Å; W863-M867 PolarHBondContact O-N 3.1Å
864	F	91.5	Very high	87	Confident	22 Å²	22	45.4 Å²	45.4	10%	0.096	23%	0.225	C	C	.	.	H	α-helix	trans	-59.7	-42.1	176.5	-178.9	-112.5	0	0	0	112	F538 D540 L543 F800 T860 I861 K868	F538-F864 HydrophobicContact CD1-CD2 4.15Å; F538-F864 HydrophobicContact CD1-CE2 4.03Å; D540-F864 WeakPolarHBondContact O-CE2 3.31Å; D540-F864 VanDerWaalsContact O-CZ 3.27Å; D540-F864 WeakPolarHBondContact O-CZ 3.37Å; L543-F864 HydrophobicContact CD1-CB 4.5Å; L543-F864 HydrophobicContact CD1-CD1 4.01Å; L543-F864 HydrophobicContact CD1-CE1 4.47Å; L543-F864 HydrophobicContact CD1-CG 4.44Å; L543-F864 HydrophobicContact CD2-CB 4.3Å; L543-F864 HydrophobicContact CD2-CG 4.33Å; L543-F864 HydrophobicContact CG-CD1 4.12Å; L543-F864 HydrophobicContact CG-CE1 4.31Å; L543-F864 HydrophobicContact CG-CG 4.31Å; F800-F864 HydrophobicContact CB-CD2 3.61Å; F800-F864 HydrophobicContact CB-CE2 3.88Å; F800-F864 HydrophobicContact CB-CG 4.49Å; F800-F864 HydrophobicContact CD1-CB 3.97Å; F800-F864 HydrophobicContact CD1-CD2 4.21Å; F800-F864 HydrophobicContact CD1-CG 4.5Å; F800-F864 AromaticContact CD2-CD2 3.85Å; F800-F864 HydrophobicContact CD2-CD2 3.85Å; F800-F864 HydrophobicContact CE1-CB 4.08Å; F800-F864 HydrophobicContact CG-CB 4.26Å; F800-F864 AromaticContact CG-CD2 3.65Å; F800-F864 HydrophobicContact CG-CD2 3.65Å; F800-F864 HydrophobicContact CG-CE2 4.38Å; F800-F864 HydrophobicContact CG-CG 4.36Å; F800-F864 HydrophobicContact CZ-CB 4.48Å; T860-F864 WeakPolarHBondContact O-CB 3.49Å; T860-F864 PolarHBondContact O-N 2.9Å; I861-F864 PolarHBondContact O-N 3.12Å; F864-K868 HydrophobicContact CE1-CD 4.26Å; F864-K868 HydrophobicContact CE2-CD 4.46Å; F864-K868 HydrophobicContact CZ-CD 4.24Å; F864-K868 VanDerWaalsContact CZ-CE 3.48Å; F864-K868 PolarHBondContact O-N 2.83Å; F864-K868 VanDerWaalsContact O-N 3.17Å
865	S	90.9	Very high	88.6	Confident	41 Å²	41	43.6 Å²	43.6	29%	0.287	22%	0.218	S	C	.	.	H	α-helix	trans	-66.8	-44.8	178.4	-167	0	0	0	0	112.8	I861 A862 W863 K868 K869	I861-S865 VanDerWaalsContact O-CB 3.28Å; I861-S865 WeakPolarHBondContact O-CB 3.25Å; I861-S865 PolarHBondContact O-N 2.78Å; A862-S865 PolarHBondContact O-N 2.77Å; W863-S865 VanDerWaalsContact C-N 3.32Å; W863-S865 PolarHBondContact O-N 3.33Å; S865-K868 PolarHBondContact O-N 2.98Å; S865-K869 WeakPolarHBondContact O-CB 3.36Å; S865-K869 WeakPolarHBondContact O-CG 3.31Å; S865-K869 PolarHBondContact O-N 2.71Å
866	I	91.8	Very high	89.8	Confident	22 Å²	22	46.1 Å²	46.1	11%	0.113	23%	0.229	C	C	.	.	H	α-helix	trans	-71.6	-36.6	-178.4	-162	63.2	0	0	0	111.9	P127 L378 K379 L404 A862 W863 K869 H870	P127-I866 HydrophobicContact CB-CD1 4.32Å; P127-I866 HydrophobicContact CG-CD1 3.96Å; L378-I866 HydrophobicContact CB-CD1 4.29Å; L378-I866 HydrophobicContact CB-CG1 3.9Å; L378-I866 HydrophobicContact CD2-CD1 4.45Å; K379-I866 HydrophobicContact CB-CG1 4.49Å; K379-I866 HydrophobicContact CB-CG2 4Å; K379-I866 HydrophobicContact CD-CG2 3.86Å; L404-I866 HydrophobicContact CD2-CG1 4.43Å; L404-I866 HydrophobicContact CD2-CG2 4.03Å; A862-I866 WeakPolarHBondContact O-CG2 3.45Å; A862-I866 PolarHBondContact O-N 3.23Å; W863-I866 HydrophobicContact CE3-CG2 4.26Å; W863-I866 WeakPolarHBondContact O-CG2 3.43Å; W863-I866 PolarHBondContact O-N 3.29Å; I866-K869 PolarHBondContact O-N 2.72Å; I866-H870 VanDerWaalsContact O-CB 3.28Å; I866-H870 WeakPolarHBondContact O-CB 3.5Å; I866-H870 PolarHBondContact O-N 2.89Å
867	M	93.8	Very high	90.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.8	-44.8	174.2	-69.5	-176.6	-164.2	0	0	111.3	L383 L404 L409 I532 F538 F800 I802 W863 H870 V871	L383-M867 HydrophobicContact CD1-CE 3.99Å; L404-M867 HydrophobicContact CD2-CG 4.01Å; L409-M867 HydrophobicContact CD1-CE 4.07Å; L409-M867 HydrophobicContact CD2-CE 3.84Å; I532-M867 HydrophobicContact CD1-SD 4.47Å; F538-M867 HydrophobicContact CE1-CB 3.9Å; F538-M867 HydrophobicContact CZ-CB 3.89Å; F800-M867 HydrophobicContact CE2-CE 4.34Å; F800-M867 HydrophobicContact CE2-SD 3.88Å; F800-M867 HydrophobicContact CZ-CE 4.13Å; F800-M867 HydrophobicContact CZ-SD 4.16Å; I802-M867 HydrophobicContact CD1-SD 3.53Å; I802-M867 VanDerWaalsContact CD1-SD 3.53Å; W863-M867 HydrophobicContact CD2-CE 4.37Å; W863-M867 HydrophobicContact CE3-CE 3.61Å; W863-M867 HydrophobicContact CZ3-CE 4.19Å; W863-M867 WeakPolarHBondContact O-CB 3.48Å; W863-M867 VanDerWaalsContact O-CG 3.29Å; W863-M867 WeakPolarHBondContact O-CG 3.42Å; W863-M867 PolarHBondContact O-N 3.1Å; M867-H870 PolarHBondContact O-N 2.78Å; M867-V871 PolarHBondContact O-N 2.91Å
868	K	91.3	Very high	90.8	Very high	58 Å²	58	42.8 Å²	42.8	25%	0.252	22%	0.219	S	C	.	.	H	α-helix	trans	-62.1	-45	175.3	-77.6	-173.5	173.1	-178.2	0	112.5	F538 F864 S865 H870 V871 Q872	F538-K868 HydrophobicContact CD1-CD 4.29Å; F538-K868 HydrophobicContact CD1-CG 3.75Å; F538-K868 HydrophobicContact CD2-CG 3.91Å; F538-K868 HydrophobicContact CE1-CG 3.61Å; F538-K868 HydrophobicContact CE2-CG 3.78Å; F538-K868 HydrophobicContact CG-CD 4.29Å; F538-K868 HydrophobicContact CG-CG 3.91Å; F538-K868 HydrophobicContact CZ-CB 4.38Å; F538-K868 HydrophobicContact CZ-CG 3.62Å; F864-K868 HydrophobicContact CE1-CD 4.26Å; F864-K868 HydrophobicContact CE2-CD 4.46Å; F864-K868 HydrophobicContact CZ-CD 4.24Å; F864-K868 VanDerWaalsContact CZ-CE 3.48Å; F864-K868 PolarHBondContact O-N 2.83Å; F864-K868 VanDerWaalsContact O-N 3.17Å; S865-K868 PolarHBondContact O-N 2.98Å; K868-H870 VanDerWaalsContact C-N 3.28Å; K868-H870 PolarHBondContact O-N 3.13Å; K868-V871 PolarHBondContact O-N 3.17Å; K868-Q872 WeakPolarHBondContact O-CG 3.35Å; K868-Q872 PolarHBondContact O-N 3.35Å; K868-Q872 VanDerWaalsContact O-N 3.11Å
869	K	91.1	Very high	90.7	Very high	90 Å²	90	38 Å²	38	39%	0.391	20%	0.204	S	C	.	.	H	α-helix	trans	-61.7	-34.8	175.8	-75.2	171	-179.4	167.3	0	112.8	S865 I866 Q872 E873	S865-K869 WeakPolarHBondContact O-CB 3.36Å; S865-K869 WeakPolarHBondContact O-CG 3.31Å; S865-K869 PolarHBondContact O-N 2.71Å; I866-K869 PolarHBondContact O-N 2.72Å; K869-Q872 PolarHBondContact O-N 2.87Å; K869-E873 WeakPolarHBondContact O-CB 3.11Å; K869-E873 PolarHBondContact O-N 3.35Å
870	H	92.3	Very high	90.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-73.1	-37.5	178.7	-177.7	47.5	0	0	0	112.8	L378 L404 D406 I866 M867 K868 Q872 E873 Q874 F882	L378-H870 HydrophobicContact CD1-CB 3.6Å; L378-H870 VanDerWaalsContact CD1-CG 3.46Å; L378-H870 VanDerWaalsContact CD1-ND1 3.28Å; L378-H870 WeakPolarHBondContact CD1-ND1 3.46Å; L404-H870 HydrophobicContact CD2-CB 4.24Å; D406-H870 PolarHBondContact O-CE1 2.99Å; D406-H870 PolarHBondContact O-NE2 2.96Å; I866-H870 VanDerWaalsContact O-CB 3.28Å; I866-H870 WeakPolarHBondContact O-CB 3.5Å; I866-H870 PolarHBondContact O-N 2.89Å; M867-H870 PolarHBondContact O-N 2.78Å; K868-H870 VanDerWaalsContact C-N 3.28Å; K868-H870 PolarHBondContact O-N 3.13Å; H870-Q872 VanDerWaalsContact C-N 3.34Å; H870-E873 IonicContact CE1-OE2 3.8Å; H870-E873 IonicContact ND1-OE2 3.81Å; H870-E873 PolarHBondContact ND1-OE2 3.43Å; H870-E873 WeakPolarHBondContact O-CB 3.31Å; H870-E873 PolarHBondContact O-N 2.64Å; H870-Q874 PolarHBondContact NE2-NE2 3.02Å; H870-Q874 WeakPolarHBondContact O-CG 3.48Å; H870-Q874 PolarHBondContact O-N 2.81Å; H870-F882 AromaticContact CE1-CE1 3.81Å
871	V	91.9	Very high	90.4	Very high	10 Å²	10	42.2 Å²	42.2	6%	0.061	22%	0.224	C	C	.	.	H	α-helix	trans	-61.5	-44.5	170.5	171.9	0	0	0	0	110.6	I532 F538 M867 K868 E873 Q874 E875	I532-V871 HydrophobicContact CG2-CG2 3.79Å; F538-V871 HydrophobicContact CE2-CB 4.46Å; F538-V871 HydrophobicContact CE2-CG2 4.01Å; F538-V871 HydrophobicContact CZ-CG2 4.29Å; M867-V871 PolarHBondContact O-N 2.91Å; K868-V871 PolarHBondContact O-N 3.17Å; V871-E873 VanDerWaalsContact C-N 3.34Å; V871-E873 PolarHBondContact O-N 3.44Å; V871-Q874 WeakPolarHBondContact O-CB 3.21Å; V871-Q874 PolarHBondContact O-N 3.15Å; V871-Q874 VanDerWaalsContact O-N 3.14Å; V871-E875 WeakPolarHBondContact O-CG 3.43Å; V871-E875 PolarHBondContact O-N 3.41Å
872	Q	92.1	Very high	90.4	Very high	106 Å²	106	39.1 Å²	39.1	50%	0.495	21%	0.208	S	C	.	.	H	α-helix	trans	-61.9	-37.6	174.1	-69	171.4	-21.6	0	0	112.9	K868 K869 H870 Q874 E875 I876	K868-Q872 WeakPolarHBondContact O-CG 3.35Å; K868-Q872 PolarHBondContact O-N 3.35Å; K868-Q872 VanDerWaalsContact O-N 3.11Å; K869-Q872 PolarHBondContact O-N 2.87Å; H870-Q872 VanDerWaalsContact C-N 3.34Å; Q872-Q874 VanDerWaalsContact C-N 3.33Å; Q872-Q874 PolarHBondContact O-N 3.2Å; Q872-E875 PolarHBondContact O-N 3.05Å; Q872-I876 WeakPolarHBondContact O-CD1 3.37Å; Q872-I876 VanDerWaalsContact O-CG1 3.24Å; Q872-I876 WeakPolarHBondContact O-CG1 3.33Å; Q872-I876 PolarHBondContact O-N 3.38Å
873	E	93	Very high	89.9	Confident	4 Å²	4	39 Å²	39	2%	0.019	21%	0.205	C	C	.	.	H	α-helix	trans	-62.4	-39.1	173.5	-178.6	-175.1	-123.8	0	0	111.9	P127 G128 S373 K869 H870 V871 I876 W877 F882	P127-E873 WeakPolarHBondContact CA-OE1 3.27Å; G128-E873 PolarHBondContact N-OE1 2.89Å; S373-E873 VanDerWaalsContact CB-OE2 3.25Å; S373-E873 WeakPolarHBondContact CB-OE2 3.45Å; S373-E873 PolarHBondContact OG-OE1 3.45Å; S373-E873 PolarHBondContact OG-OE2 3.14Å; K869-E873 WeakPolarHBondContact O-CB 3.11Å; K869-E873 PolarHBondContact O-N 3.35Å; H870-E873 IonicContact CE1-OE2 3.8Å; H870-E873 IonicContact ND1-OE2 3.81Å; H870-E873 PolarHBondContact ND1-OE2 3.43Å; H870-E873 WeakPolarHBondContact O-CB 3.31Å; H870-E873 PolarHBondContact O-N 2.64Å; V871-E873 VanDerWaalsContact C-N 3.34Å; V871-E873 PolarHBondContact O-N 3.44Å; E873-I876 PolarHBondContact O-N 3.4Å; E873-W877 PolarHBondContact O-N 3.44Å; E873-F882 HydrophobicContact CG-CZ 4.21Å
874	Q	91.8	Very high	88.8	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-69.8	-34.4	173.9	-68.9	-178.5	44.4	0	0	113.2	I532 H533 T534 H870 V871 Q872 I876 G878 F882	I532-Q874 PolarHBondContact O-NE2 3.18Å; H533-Q874 VanDerWaalsContact CA-OE1 3.25Å; T534-Q874 HydrophobicContact CG2-CB 3.84Å; H870-Q874 PolarHBondContact NE2-NE2 3.02Å; H870-Q874 WeakPolarHBondContact O-CG 3.48Å; H870-Q874 PolarHBondContact O-N 2.81Å; V871-Q874 WeakPolarHBondContact O-CB 3.21Å; V871-Q874 PolarHBondContact O-N 3.15Å; V871-Q874 VanDerWaalsContact O-N 3.14Å; Q872-Q874 VanDerWaalsContact C-N 3.33Å; Q872-Q874 PolarHBondContact O-N 3.2Å; Q874-I876 VanDerWaalsContact C-N 3.34Å; Q874-G878 CarbonylContact O-C 3.3Å; Q874-G878 VanDerWaalsContact O-CA 3.23Å; Q874-G878 WeakPolarHBondContact O-CA 3.45Å; Q874-G878 PolarHBondContact O-N 3.19Å; Q874-F882 HydrophobicContact CB-CE2 4.16Å; Q874-F882 HydrophobicContact CG-CD1 4.47Å; Q874-F882 HydrophobicContact CG-CD2 4.01Å; Q874-F882 HydrophobicContact CG-CE1 4.1Å; Q874-F882 HydrophobicContact CG-CE2 3.59Å; Q874-F882 HydrophobicContact CG-CG 4.43Å; Q874-F882 HydrophobicContact CG-CZ 3.63Å
875	E	91.2	Very high	87.8	Confident	122 Å²	122	52.5 Å²	52.5	57%	0.57	27%	0.272	S	S	*	.	H	α-helix	trans	-63.2	-40.6	171.7	-68.9	176.3	159.7	0	0	111.6	T534 V871 Q872	T534-E875 HydrophobicContact CG2-CB 4.48Å; T534-E875 HydrophobicContact CG2-CG 3.81Å; V871-E875 WeakPolarHBondContact O-CG 3.43Å; V871-E875 PolarHBondContact O-N 3.41Å; Q872-E875 PolarHBondContact O-N 3.05Å
876	I	93.3	Very high	87	Confident	82 Å²	82	50.8 Å²	50.8	42%	0.421	26%	0.26	S	S	.	.	H	α-helix	trans	-73.4	-50.3	-176.8	-70.9	166	0	0	0	112	L301 Q872 E873 Q874	L301-I876 HydrophobicContact CD2-CG2 4.1Å; Q872-I876 WeakPolarHBondContact O-CD1 3.37Å; Q872-I876 VanDerWaalsContact O-CG1 3.24Å; Q872-I876 WeakPolarHBondContact O-CG1 3.33Å; Q872-I876 PolarHBondContact O-N 3.38Å; E873-I876 PolarHBondContact O-N 3.4Å; Q874-I876 VanDerWaalsContact C-N 3.34Å
877	W	91.3	Very high	86.2	Confident	19 Å²	19	56.6 Å²	56.6	7%	0.072	29%	0.29	C	S	.	.	H	α-helix	trans	-84.9	-15.5	-177.4	-68.7	106.7	0	0	0	113.6	A130 F236 L301 A369 P371 E873 A881 F882	A130-W877 HydrophobicContact CB-CD2 4.4Å; A130-W877 HydrophobicContact CB-CH2 3.71Å; A130-W877 HydrophobicContact CB-CZ2 3.47Å; A130-W877 VanDerWaalsContact CB-CZ2 3.47Å; A130-W877 HydrophobicContact CB-CZ3 4.26Å; F236-W877 HydrophobicContact CD1-CH2 4.19Å; F236-W877 HydrophobicContact CD1-CZ3 4.43Å; F236-W877 HydrophobicContact CE1-CH2 4.27Å; F236-W877 HydrophobicContact CE1-CZ3 4.05Å; L301-W877 HydrophobicContact CD1-CD2 4.23Å; L301-W877 HydrophobicContact CD1-CE3 3.42Å; L301-W877 VanDerWaalsContact CD1-CE3 3.42Å; L301-W877 HydrophobicContact CD1-CH2 4.47Å; L301-W877 HydrophobicContact CD1-CZ3 3.56Å; A369-W877 HydrophobicContact CB-CE3 3.56Å; A369-W877 HydrophobicContact CB-CH2 4.17Å; A369-W877 HydrophobicContact CB-CZ3 3.29Å; P371-W877 HydrophobicContact CG-CB 3.81Å; P371-W877 HydrophobicContact CG-CD2 4.17Å; P371-W877 HydrophobicContact CG-CG 3.56Å; E873-W877 PolarHBondContact O-N 3.44Å; W877-A881 HydrophobicContact CB-CB 3.92Å; W877-A881 WeakPolarHBondContact O-CB 3.29Å; W877-F882 HydrophobicContact CB-CE2 4.3Å
878	G	88.6	Confident	85.4	Confident	28 Å²	28	56.9 Å²	56.9	29%	0.289	29%	0.291	S	S	.	.			trans	77.6	150.7	-175	0	0	0	0	0	113	Q874 E880 A881	Q874-G878 CarbonylContact O-C 3.3Å; Q874-G878 VanDerWaalsContact O-CA 3.23Å; Q874-G878 WeakPolarHBondContact O-CA 3.45Å; Q874-G878 PolarHBondContact O-N 3.19Å; G878-E880 PolarHBondContact O-N 3.19Å; G878-A881 WeakPolarHBondContact O-CB 3.37Å; G878-A881 PolarHBondContact O-N 2.98Å; G878-A881 VanDerWaalsContact O-N 3.11Å
879	S	81.7	Confident	84.3	Confident	60 Å²	60	56.4 Å²	56.4	42%	0.42	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-65.3	-19.1	-175.8	55	0	0	0	0	114.7
880	E	83.3	Confident	82.9	Confident	112 Å²	112	61 Å²	61	52%	0.523	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-67.1	-36	173.1	-170.1	-179.7	146	0	0	111.7	N306 G878 F882 S883 I886	N306-E880 WeakPolarHBondContact CB-OE1 3.44Å; N306-E880 PolarHBondContact N-OE1 3.16Å; G878-E880 PolarHBondContact O-N 3.19Å; E880-F882 PolarHBondContact O-N 2.98Å; E880-S883 VanDerWaalsContact O-CB 3.26Å; E880-S883 WeakPolarHBondContact O-CB 3.31Å; E880-S883 PolarHBondContact O-N 3.29Å; E880-I886 WeakPolarHBondContact O-CD1 3.29Å
881	A	88.2	Confident	81	Confident	5 Å²	5	64.5 Å²	64.5	4%	0.041	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-63.8	-15.7	-178.5	0	0	0	0	0	113.8	P371 W877 G878	P371-A881 HydrophobicContact CG-CB 4.46Å; W877-A881 HydrophobicContact CB-CB 3.92Å; W877-A881 WeakPolarHBondContact O-CB 3.29Å; G878-A881 WeakPolarHBondContact O-CB 3.37Å; G878-A881 PolarHBondContact O-N 2.98Å; G878-A881 VanDerWaalsContact O-N 3.11Å
882	F	87.8	Confident	78.6	Confident	3 Å²	3	72.1 Å²	72.1	1%	0.013	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-97	-0.3	176.4	-71.3	-91.5	0	0	0	113	P371 S373 A374 D406 R407 H870 E873 Q874 W877 E880 E884	P371-F882 HydrophobicContact CB-CE1 4.03Å; P371-F882 HydrophobicContact CB-CE2 4.33Å; P371-F882 HydrophobicContact CB-CZ 3.7Å; P371-F882 HydrophobicContact CG-CD2 4.5Å; P371-F882 HydrophobicContact CG-CE1 4.28Å; P371-F882 HydrophobicContact CG-CE2 3.72Å; P371-F882 HydrophobicContact CG-CZ 3.6Å; S373-F882 WeakPolarHBondContact OG-CE1 3.37Å; A374-F882 HydrophobicContact CB-CD1 3.78Å; A374-F882 HydrophobicContact CB-CE1 4.22Å; A374-F882 HydrophobicContact CB-CG 4.49Å; D406-F882 WeakPolarHBondContact O-CD1 3.32Å; D406-F882 WeakPolarHBondContact O-CE1 3.48Å; R407-F882 HydrophobicContact CG-CB 3.85Å; R407-F882 HydrophobicContact CG-CD1 4.16Å; R407-F882 HydrophobicContact CG-CG 4.06Å; H870-F882 AromaticContact CE1-CE1 3.81Å; E873-F882 HydrophobicContact CG-CZ 4.21Å; Q874-F882 HydrophobicContact CB-CE2 4.16Å; Q874-F882 HydrophobicContact CG-CD1 4.47Å; Q874-F882 HydrophobicContact CG-CD2 4.01Å; Q874-F882 HydrophobicContact CG-CE1 4.1Å; Q874-F882 HydrophobicContact CG-CE2 3.59Å; Q874-F882 HydrophobicContact CG-CG 4.43Å; Q874-F882 HydrophobicContact CG-CZ 3.63Å; W877-F882 HydrophobicContact CB-CE2 4.3Å; E880-F882 PolarHBondContact O-N 2.98Å; F882-E884 PolarHBondContact O-N 3.26Å
883	S	78.9	Confident	75.9	Confident	35 Å²	35	72.5 Å²	72.5	25%	0.245	39%	0.386	C	S	.	.			trans	-66.8	131.5	178.8	-167.3	0	0	0	0	112	E880 N885 I886	E880-S883 VanDerWaalsContact O-CB 3.26Å; E880-S883 WeakPolarHBondContact O-CB 3.31Å; E880-S883 PolarHBondContact O-N 3.29Å; S883-N885 PolarHBondContact O-N 3.37Å; S883-N885 PolarHBondContact OG-N 3.03Å; S883-N885 PolarHBondContact OG-ND2 3.07Å; S883-I886 WeakPolarHBondContact O-CB 3.43Å; S883-I886 PolarHBondContact O-N 2.98Å
884	E	68.6	Low	73	Confident	177 Å²	177	77.9 Å²	77.9	83%	0.827	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-25.9	170.8	-61.4	-173.4	144.5	0	0	112.7	F882 I886	F882-E884 PolarHBondContact O-N 3.26Å; E884-I886 PolarHBondContact O-N 3.3Å
885	N	70.2	Confident	70.5	Confident	127 Å²	127	81.1 Å²	81.1	68%	0.679	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-10.8	176.3	-62.3	-59.6	0	0	0	113.8	S883 I887	S883-N885 PolarHBondContact O-N 3.37Å; S883-N885 PolarHBondContact OG-N 3.03Å; S883-N885 PolarHBondContact OG-ND2 3.07Å; N885-I887 PolarHBondContact O-N 3.12Å; N885-I887 VanDerWaalsContact O-N 3.09Å
886	I	75.6	Confident	67.9	Low	6 Å²	6	81 Å²	81	3%	0.031	44%	0.439	C	S	.	.			trans	-79.7	93.9	174.9	-66.4	178.7	0	0	0	109.7	I368 Q370 E880 S883 E884 I888	I368-I886 HydrophobicContact CG2-CD1 3.91Å; I368-I886 HydrophobicContact CG2-CG1 4.18Å; I368-I886 HydrophobicContact CG2-CG2 3.59Å; Q370-I886 HydrophobicContact CB-CG2 4.01Å; Q370-I886 HydrophobicContact CG-CG2 4.09Å; Q370-I886 PolarHBondContact NE2-O 3.14Å; Q370-I886 PolarHBondContact OE1-O 3.43Å; E880-I886 WeakPolarHBondContact O-CD1 3.29Å; S883-I886 WeakPolarHBondContact O-CB 3.43Å; S883-I886 PolarHBondContact O-N 2.98Å; E884-I886 PolarHBondContact O-N 3.3Å; I886-I888 HydrophobicContact CG2-CD1 4.44Å; I886-I888 HydrophobicContact CG2-CG1 3.91Å; I886-I888 PolarHBondContact O-N 3.42Å
887	I	73.5	Confident	65.2	Low	144 Å²	144	83.3 Å²	83.3	74%	0.738	44%	0.443	S	S	*	.			trans	-92.9	77.1	172.9	-51.3	177.2	0	0	0	109.1	N885	N885-I887 PolarHBondContact O-N 3.12Å; N885-I887 VanDerWaalsContact O-N 3.09Å
888	I	78.5	Confident	62.6	Low	5 Å²	5	87.5 Å²	87.5	3%	0.026	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-65.7	127.3	160.1	-63.2	-177	0	0	0	108	Q131 C133 T228 Q370 I886 K890	Q131-I888 HydrophobicContact CB-CD1 4.26Å; Q131-I888 HydrophobicContact CG-CD1 4.16Å; Q131-I888 HydrophobicContact CG-CG2 3.96Å; Q131-I888 WeakPolarHBondContact O-CD1 3.47Å; Q131-I888 VanDerWaalsContact OE1-CG2 3.29Å; C133-I888 HydrophobicContact CB-CB 4.35Å; C133-I888 HydrophobicContact CB-CD1 3.89Å; C133-I888 HydrophobicContact CB-CG1 3.82Å; C133-I888 HydrophobicContact CB-CG2 3.77Å; T228-I888 HydrophobicContact CG2-CG2 3.81Å; Q370-I888 HydrophobicContact CB-CD1 3.6Å; Q370-I888 HydrophobicContact CB-CG1 4.35Å; I886-I888 HydrophobicContact CG2-CD1 4.44Å; I886-I888 HydrophobicContact CG2-CG1 3.91Å; I886-I888 PolarHBondContact O-N 3.42Å; I888-K890 PolarHBondContact O-N 2.79Å
889	P	67.5	Low	60.2	Low	48 Å²	48	89 Å²	89	31%	0.312	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-58.2	129.3	175.4	-20.9	31.5	0	0	0	110.6	K226 S891	K226-P889 HydrophobicContact CD-CG 3.91Å; P889-S891 PolarHBondContact O-N 2.88Å
890	K	61.4	Low	58.1	Low	186 Å²	186	88.4 Å²	88.4	81%	0.809	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-55.4	138	163.2	-67.3	-176.8	-179.7	179.2	0	107.8	I888 K892	I888-K890 PolarHBondContact O-N 2.79Å; K890-K892 PolarHBondContact O-N 2.92Å
891	S	52.3	Low	55.6	Low	74 Å²	74	86.5 Å²	86.5	52%	0.517	47%	0.469	S	S	.	.			trans	-71.5	50.3	-171.1	45.8	0	0	0	0	114.8	P889	P889-S891 PolarHBondContact O-N 2.88Å
892	K	41.1	Very low	52.7	Low	171 Å²	171	93.8 Å²	93.8	74%	0.743	50%	0.496	S	S	*	.			trans	-52.5	139.5	152.7	-68.9	-170.2	174.3	-172	0	107.6	K890 N894	K890-K892 PolarHBondContact O-N 2.92Å; K892-N894 PolarHBondContact O-N 2.78Å
893	S	35.3	Very low	50	Low	114 Å²	114	104.2 Å²	104.2	80%	0.797	54%	0.535	S	S	*	.	S	Bend	trans	-74	59.5	-175.6	46.5	0	0	0	0	112.5	S895	S893-S895 VanDerWaalsContact C-N 3.34Å
894	N	33.2	Very low	47.7	Very low	117 Å²	117	107.2 Å²	107.2	63%	0.626	56%	0.556	S	S	*	*			trans	-95.3	17.1	-177.6	-71.6	23.7	0	0	0	112.8	K892 I896	K892-N894 PolarHBondContact O-N 2.78Å; N894-I896 PolarHBondContact O-N 2.95Å
895	S	38.5	Very low	45.9	Very low	69 Å²	69	104.4 Å²	104.4	48%	0.483	55%	0.551	S	S	.	*	S	Bend	trans	-56.6	113.4	139.7	166.4	0	0	0	0	105.9	S893 R897	S893-S895 VanDerWaalsContact C-N 3.34Å; S895-R897 PolarHBondContact O-N 3.34Å
896	I	37.6	Very low	43.8	Very low	120 Å²	120	102.1 Å²	102.1	62%	0.615	55%	0.55	S	S	*	.			trans	-73.9	80	-168.2	-56.6	178.8	0	0	0	109.8	N894	N894-I896 PolarHBondContact O-N 2.95Å
897	R	35.9	Very low	41.6	Very low	129 Å²	129	109.2 Å²	109.2	49%	0.487	59%	0.586	S	S	.	*			trans	70	145.9	-172.3	-45	135.4	-176.6	-141.8	2.4	111.9	S895 T899 R902	S895-R897 PolarHBondContact O-N 3.34Å; R897-T899 PolarHBondContact O-N 3.04Å; R897-T899 VanDerWaalsContact O-N 3.08Å; R897-R902 HydrophobicContact CB-CB 4.45Å; R897-R902 HydrophobicContact CG-CB 4.35Å
898	N	37.5	Very low	39.3	Very low	108 Å²	108	106.7 Å²	106.7	58%	0.578	58%	0.579	S	S	*	*			trans	-63.4	107.5	148	-58.4	-71	0	0	0	105.3	S900 A901	N898-S900 PolarHBondContact O-N 3.07Å; N898-A901 HydrophobicContact CB-CB 4.46Å; N898-A901 PolarHBondContact O-N 3.09Å
899	T	38.4	Very low	36.9	Very low	59 Å²	59	112.1 Å²	112.1	36%	0.362	62%	0.617	S	S	.	*	G	3₁₀ helix	trans	-60.3	-36.2	-169.8	44.3	0	0	0	0	112.6	D69 R897 A901 R902	D69-T899 PolarHBondContact OD1-OG1 3.1Å; R897-T899 PolarHBondContact O-N 3.04Å; R897-T899 VanDerWaalsContact O-N 3.08Å; T899-A901 PolarHBondContact O-N 3.42Å; T899-R902 PolarHBondContact O-N 2.98Å
900	S	36.2	Very low	34.9	Very low	48 Å²	48	115.4 Å²	115.4	34%	0.336	63%	0.633	S	S	.	*	G	3₁₀ helix	trans	-50.1	-20.9	170.4	-162.5	0	0	0	0	114.6	D69 T73 N898	D69-S900 WeakPolarHBondContact OD2-CA 3.46Å; D69-S900 PolarHBondContact OD2-N 3.29Å; T73-S900 PolarHBondContact OG1-OG 2.83Å; N898-S900 PolarHBondContact O-N 3.07Å
901	A	31.3	Very low	33.5	Very low	72 Å²	72	115.1 Å²	115.1	60%	0.595	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-108.3	9.9	-179.1	0	0	0	0	0	114.9	N898 T899	N898-A901 HydrophobicContact CB-CB 4.46Å; N898-A901 PolarHBondContact O-N 3.09Å; T899-A901 PolarHBondContact O-N 3.42Å
902	R	27	Very low	32.3	Very low	158 Å²	158	115.4 Å²	115.4	60%	0.596	64%	0.64	S	S	*	*	S	Bend	trans	-136.3	32.2	178.1	-148.6	158.3	173.6	-173.8	-0.8	116.7	R897 T899	R897-R902 HydrophobicContact CB-CB 4.45Å; R897-R902 HydrophobicContact CG-CB 4.35Å; T899-R902 PolarHBondContact O-N 2.98Å
903	R	31.7	Very low	31.6	Very low	221 Å²	221	115 Å²	115	83%	0.834	64%	0.644	S	S	*	*	S	Bend		-107.6	86.1	124.5	-91.4	-166.8	174.2	-165.2	0.4	108.4	V905	R903-V905 VanDerWaalsContact C-N 3.3Å; R903-V905 PolarHBondContact O-N 3.06Å
904	S	29.8	Very low	31.4	Very low	99 Å²	99	117.7 Å²	117.7	69%	0.692	65%	0.649	S	S	*	*			trans	-69.7	89.8	167.2	50.9	0	0	0	0	109.1	A906	S904-A906 PolarHBondContact O-N 3.23Å
905	V	31.1	Very low	31.1	Very low	117 Å²	117	121.7 Å²	121.7	71%	0.709	68%	0.678	S	S	*	*			trans	-56.2	116.6	140.4	175.8	0	0	0	0	104.6	R903 I907	R903-V905 VanDerWaalsContact C-N 3.3Å; R903-V905 PolarHBondContact O-N 3.06Å; V905-I907 PolarHBondContact O-N 3.49Å; V905-I907 VanDerWaalsContact O-N 3.09Å
906	A	26.7	Very low	30.7	Very low	80 Å²	80	124.4 Å²	124.4	66%	0.661	69%	0.688	S	S	*	*			trans	-61.4	116.5	171.7	0	0	0	0	0	106.8	S904 P908	S904-A906 PolarHBondContact O-N 3.23Å; A906-P908 VanDerWaalsContact O-CD 3.22Å; A906-P908 WeakPolarHBondContact O-CD 3.29Å
907	I	28.4	Very low	30.4	Very low	155 Å²	155	124.6 Å²	124.6	80%	0.795	69%	0.691	S	S	*	*			trans	-71.1	112.7	159.2	-61.3	173.3	0	0	0	103.7	V905 S909	V905-I907 PolarHBondContact O-N 3.49Å; V905-I907 VanDerWaalsContact O-N 3.09Å; I907-S909 PolarHBondContact O-N 3.36Å
908	P	26.7	Very low	30.1	Very low	90 Å²	90	124.3 Å²	124.3	58%	0.584	70%	0.703	S	S	*	*			trans	-61.8	127.5	175.3	-16.8	32.1	0	0	0	107.2	A906 D910	A906-P908 VanDerWaalsContact O-CD 3.22Å; A906-P908 WeakPolarHBondContact O-CD 3.29Å; P908-D910 HydrophobicContact CB-CB 4.42Å; P908-D910 PolarHBondContact O-N 2.91Å
909	S	28	Very low	29.6	Very low	119 Å²	119	125.3 Å²	125.3	83%	0.832	71%	0.71	S	S	*	*			trans	-78.5	29.2	176.1	51.5	0	0	0	0	112.1	I907 I911	I907-S909 PolarHBondContact O-N 3.36Å; S909-I911 PolarHBondContact O-N 3.48Å
910	D	25.7	Very low	29.1	Very low	118 Å²	118	129.4 Å²	129.4	63%	0.631	73%	0.732	S	S	*	*			trans	-100.1	69.3	-175.7	-59.5	-48.6	0	0	0	109.4	P908 S912	P908-D910 HydrophobicContact CB-CB 4.42Å; P908-D910 PolarHBondContact O-N 2.91Å; D910-S912 PolarHBondContact O-N 3.42Å
911	I	30.7	Very low	28.6	Very low	179 Å²	179	134.9 Å²	134.9	92%	0.918	76%	0.758	S	S	*	*			trans	-92.7	64.5	157	-54.5	-177.2	0	0	0	107.1	S909	S909-I911 PolarHBondContact O-N 3.48Å
912	S	27.4	Very low	28.4	Very low	81 Å²	81	139.4 Å²	139.4	57%	0.566	77%	0.77	S	S	*	*			trans	-141.8	148.8	161.7	70.8	0	0	0	0	106.2	D910	D910-S912 PolarHBondContact O-N 3.42Å
913	I	27.1	Very low	28.6	Very low	161 Å²	161	137.9 Å²	137.9	83%	0.826	78%	0.783	S	S	*	*			trans	70.1	78.1	-165.3	-42.9	167.5	0	0	0	113
914	L	30	Very low	28.3	Very low	171 Å²	171	131 Å²	131	90%	0.895	78%	0.779	S	S	*	*			trans	-158.8	88.1	130.5	-110.7	170	0	0	0	109.5
915	T	28	Very low	28.2	Very low	202 Å²	202	133.9 Å²	133.9	100%	1.239	79%	0.787	S	S	*	*			trans	-79.7	0	152.1	49.8	0	0	0	0	109.2

Retrieved 915 of 915 residues in 1220.8 ms (Link to these results)

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